*HEADER    TOXIN                                   12-MAR-07   2P4L              
*TITLE     STRUCTURE AND SODIUM CHANNEL ACTIVITY OF AN EXCITATORY I1-            
*TITLE    2 SUPERFAMILY CONOTOXIN                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: I-SUPERFAMILY CONOTOXIN R11A;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: R11.6, CONOTOXIN IOTA-RXIA;                                 
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CONUS RADIATUS;                                 
*SOURCE   3 ORGANISM_COMMON: RAYED CONE;                                         
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI                                  
*KEYWDS    IAA, IODOACETIC ACID; INA, SODIUM CURRENT; NEM, N-                    
*KEYWDS   2 ETHYLMALEIMIDE; NMR, NUCLEAR MAGNETIC RESONANCE; NOE,                
*KEYWDS   3 NUCLEAR OVERHAUSER EFFECT; TFA, TRIFLUOROACETIC ACID; VGSC,          
*KEYWDS   4 VOLTAGE-GATED SODIUM CHANNEL., TOXIN                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    O.BUCZEK, D.X.WEI, J.J.BABON, X.D.YANG, B.FIEDLER,                    
*AUTHOR   2 D.YOSHIKAMI, B.M.OLIVERA, G.BULAJ, R.S.NORTON                        
*REVDAT   2   09-OCT-07 2P4L    1      ADDED CONSTRAINTS FILE
*REVDAT   1   25-SEP-07 2P4L    0                                               


!class hbond
assign (resid  23 and name   N ) (resid   26 and name    O ) 0.0 1.8 3.30
assign (resid  23 and name  HN ) (resid   26 and name    O ) 0.0 1.8 2.40

assign (resid  28 and name   N ) (resid   21 and name    O ) 0.0 1.8 3.30
assign (resid  28 and name  HN ) (resid   21 and name    O ) 0.0 1.8 2.40

assign (resid  26 and name   N ) (resid   23 and name    O ) 0.0 1.8 3.30
assign (resid  26 and name  HN ) (resid   23 and name    O ) 0.0 1.8 2.40

assign (resid  9 and name   N ) (resid    27 and name    O ) 0.0 1.8 3.30
assign (resid  9 and name  HN ) (resid    27 and name    O ) 0.0 1.8 2.40

assign (resid  10 and name   N ) (resid   8 and name    O ) 0.0 1.8 3.30
assign (resid  10 and name  HN ) (resid   8 and name    O ) 0.0 1.8 2.40

assign (resid  27 and name   N ) (resid   9 and name    O ) 0.0 1.8 3.30
assign (resid  27 and name  HN ) (resid   9 and name    O ) 0.0 1.8 2.40

assign (resid  20 and name   N ) (resid   18 and name    O ) 0.0 1.8 3.30
assign (resid  20 and name  HN ) (resid   18 and name    O ) 0.0 1.8 2.40

assign (resid  19 and name   N ) (resid   6 and name    O ) 0.0 1.8 3.30
assign (resid  19 and name  HN ) (resid   6 and name    O ) 0.0 1.8 2.40

assign (resid  12 and name   N ) (resid   22 and name    O ) 0.0 1.8 3.30
assign (resid  12 and name  HN ) (resid   22 and name    O ) 0.0 1.8 2.40

assign (resid  21 and name   N ) (resid   28 and name    O ) 0.0 1.8 3.30
assign (resid  21 and name  HN ) (resid   28 and name    O ) 0.0 1.8 2.40

!SS-bond restraints
 assign (resid    5 and name  sg  ) (resid   19 and name   sg ) 2.02 0.1 0.1
 assign (resid   12 and name  sg  ) (resid   22 and name   sg ) 2.02 0.1 0.1
 assign (resid   18 and name  sg  ) (resid   27 and name   sg ) 2.02 0.1 0.1
 assign (resid   21 and name  sg  ) (resid   38 and name   sg ) 2.02 0.1 0.1
!intra
assign (resid 46 and name HA ) (resid 46 and name HB ) 0 1.8 4.05 !666
assign (resid 46 and name HA ) (resid 46 and name HD1# ) 0 1.8 5.08 !962
assign (resid 46 and name HN ) (resid 46 and name HA ) 0 1.8 3.77 !318
assign (resid 46 and name HN ) (resid 46 and name HB ) 0 1.8 3.83 !319
assign (resid 46 and name HN ) (resid 46 and name HG1* ) 0 1.8 4.82 !322
assign (resid 46 and name HN ) (resid 46 and name HD1# ) 0 1.8 4.78 !324
assign (resid 45 and name HN ) (resid 45 and name HB* ) 0 1.8 4.2 !326
assign (resid 45 and name HN ) (resid 45 and name HG# ) 0 1.8 4.67 !327
assign (resid 45 and name HN ) (resid 45 and name HA ) 0 1.8 3.84 !329
assign (resid 45 and name HN ) (resid 45 and name HE# ) 0 1.8 4.46 !330
assign (resid 45 and name HA ) (resid 45 and name HB* ) 0 1.8 4.01 !874
assign (resid 44 and name HA ) (resid 44 and name HB* ) 0 1.8 3.68 !742
assign (resid 44 and name HN ) (resid 44 and name HD# ) 0 1.8 4.28 !541
assign (resid 44 and name HA ) (resid 44 and name HD# ) 0 1.8 3.61 !333
assign (resid 44 and name HE# ) (resid 44 and name HD# ) 0 1.8 2.4 !334
assign (resid 44 and name HB* ) (resid 44 and name HD# ) 0 1.8 3.4 !340
assign (resid 44 and name HB* ) (resid 44 and name HE# ) 0 1.8 5.43 !342
assign (resid 44 and name HN ) (resid 44 and name HB* ) 0 1.8 3.93 !344
assign (resid 44 and name HN ) (resid 44 and name HA ) 0 1.8 3.47 !346
assign (resid 43 and name HN ) (resid 43 and name HA ) 0 1.8 3.75 !343
assign (resid 43 and name HN ) (resid 43 and name HB* ) 0 1.8 4.1 !349
assign (resid 43 and name HB* ) (resid 43 and name HD# ) 0 1.8 3.48 !351
assign (resid 43 and name HA ) (resid 43 and name HD# ) 0 1.8 3.69 !352
assign (resid 43 and name HE# ) (resid 43 and name HD# ) 0 1.8 2.42 !353
assign (resid 43 and name HB* ) (resid 43 and name HE# ) 0 1.8 4.99 !355
assign (resid 43 and name HN ) (resid 43 and name HD# ) 0 1.8 4.66 !357
assign (resid 43 and name HA ) (resid 43 and name HB* ) 0 1.8 3.33 !816
assign (resid 42 and name HN ) (resid 42 and name HB# ) 0 1.8 4.54 !361
assign (resid 42 and name HN ) (resid 42 and name HA ) 0 1.8 4.63 !362
assign (resid 41 and name HN ) (resid 41 and name HA ) 0 1.8 3.91 !363
assign (resid 41 and name HN ) (resid 41 and name HB* ) 0 1.8 4.43 !364
assign (resid 40 and name HN ) (resid 40 and name HG2# ) 0 1.8 4.84 !366
assign (resid 40 and name HN ) (resid 40 and name HA ) 0 1.8 4.03 !367
assign (resid 40 and name HN ) (resid 40 and name HB ) 0 1.8 4.89 !368
assign (resid 40 and name HA ) (resid 40 and name HG2# ) 0 1.8 3.21 !1035
assign (resid 40 and name HB ) (resid 40 and name HG2# ) 0 1.8 2.87 !1036
assign (resid 39 and name HN ) (resid 39 and name HB# ) 0 1.8 4.56 !370
assign (resid 39 and name HN ) (resid 39 and name HA ) 0 1.8 3.92 !379
assign (resid 38 and name HN ) (resid 38 and name HA ) 0 1.8 3.92 !374
assign (resid 38 and name HN ) (resid 38 and name HB* ) 0 1.8 4.59 !397
assign (resid 37 and name HN ) (resid 37 and name HA* ) 0 1.8 3.71 !372
assign (resid 36 and name HA ) (resid 36 and name HB* ) 0 1.8 3.79 !315
assign (resid 36 and name HG# ) (resid 36 and name HD* ) 0 1.8 3.95 !642
assign (resid 35 and name HN ) (resid 35 and name HA ) 0 1.8 3.82 !308
assign (resid 35 and name HN ) (resid 35 and name HB# ) 0 1.8 3.44 !309
assign (resid 35 and name HN ) (resid 35 and name HD# ) 0 1.8 4.21 !312
assign (resid 34 and name HA ) (resid 34 and name HB ) 0 1.8 3.54 !665
assign (resid 34 and name HA ) (resid 34 and name HG1* ) 0 1.8 4.32 !748
assign (resid 34 and name HA ) (resid 34 and name HD1# ) 0 1.8 4.80 !749!4.57
assign (resid 34 and name HB ) (resid 34 and name HG1* ) 0 1.8 3.89 !951
assign (resid 34 and name HN ) (resid 34 and name HA ) 0 1.8 3.53 !298
assign (resid 34 and name HN ) (resid 34 and name HB ) 0 1.8 3.64 !300
assign (resid 34 and name HN ) (resid 34 and name HD1# ) 0 1.8 3.89 !302
assign (resid 34 and name HN ) (resid 34 and name HG1* ) 0 1.8 3.74 !303
assign (resid 34 and name HB ) (resid 34 and name HD1# ) 0 1.8 3.73 !1077
assign (resid 33 and name HN ) (resid 33 and name HB# ) 0 1.8 3.51 !294!3.24
assign (resid 33 and name HA ) (resid 33 and name HB# ) 0 1.8 2.89 !799
assign (resid 32 and name HA ) (resid 32 and name HB* ) 0 1.8 3.67 !782
assign (resid 31 and name HB ) (resid 31 and name HG2# ) 0 1.8 2.6 !1042
assign (resid 30 and name HA ) (resid 30 and name HB* ) 0 1.8 4.02 !978
assign (resid 30 and name HA ) (resid 30 and name HB* ) 0 1.8 3.91 !636
assign (resid 29 and name HD* ) (resid 29 and name HB* ) 0 1.8 4.07 !863
assign (resid 29 and name HA ) (resid 29 and name HB* ) 0 1.8 3.46 !869
assign (resid 27 and name HA ) (resid 27 and name HB* ) 0 1.8 3.89 !785
assign (resid 26 and name HB ) (resid 26 and name HG1* ) 0 1.8 3.56 !948
assign (resid 26 and name HA ) (resid 26 and name HG1* ) 0 1.8 4.12 !1043
assign (resid 26 and name HA ) (resid 26 and name HB ) 0 1.8 3.65 !871
assign (resid 24 and name HN ) (resid 24 and name HB* ) 0 1.8 4.13 !395
assign (resid 36 and name HD* ) (resid 36 and name HB* ) 0 1.8 4.23 !864
assign (resid 36 and name HA ) (resid 36 and name HG# ) 0 1.8 4.15 !877
assign (resid 38 and name HA ) (resid 38 and name HB* ) 0 1.8 3.77 !878
assign (resid 36 and name HD* ) (resid 36 and name HB* ) 0 1.8 4.19 !886
assign (resid 36 and name HB* ) (resid 36 and name HG# ) 0 1.8 3.26 !918
assign (resid 34 and name HG1* ) (resid 34 and name HD1# ) 0 1.8 3.01 !1094
assign (resid 34 and name HA ) (resid 34 and name HG1* ) 0 1.8 3.5 !1114
assign (resid 33 and name HE* ) (resid 33 and name HD* ) 0 1.8 2.97 !1126!2.75
assign (resid 33 and name HB# ) (resid 33 and name HE* ) 0 1.8 4.94 !1197
assign (resid 33 and name HZ* ) (resid 33 and name HE* ) 0 1.8 3.51 !3
assign (resid 33 and name HB# ) (resid 33 and name HE* ) 0 1.8 3.04 !5
assign (resid 33 and name HA ) (resid 33 and name HD* ) 0 1.8 3.73 !6
assign (resid 33 and name HN ) (resid 33 and name HA ) 0 1.8 3.46 !12
assign (resid 32 and name HN ) (resid 32 and name HA ) 0 1.8 3.72 !14
assign (resid 32 and name HN ) (resid 32 and name HB* ) 0 1.8 3.93 !15
assign (resid 32 and name HN ) (resid 32 and name HB* ) 0 1.8 4.14 !16
assign (resid 32 and name HB* ) (resid 32 and name HD21 ) 0 1.8 3.83 !18
assign (resid 32 and name HB* ) (resid 32 and name HD22 ) 0 1.8 3.94 !19
assign (resid 32 and name HA ) (resid 32 and name HD21 ) 0 1.8 5.01 !21
assign (resid 31 and name HN ) (resid 31 and name HG2# ) 0 1.8 3.83 !25
assign (resid 31 and name HN ) (resid 31 and name HA ) 0 1.8 3.6 !27
assign (resid 30 and name HN ) (resid 30 and name HA ) 0 1.8 3.41 !29
assign (resid 30 and name HN ) (resid 30 and name HB* ) 0 1.8 3.34 !30
assign (resid 29 and name HA ) (resid 29 and name HD* ) 0 1.8 3.8 !78
assign (resid 29 and name HD* ) (resid 29 and name HA ) 0 1.8 4.74 !79
assign (resid 28 and name HN ) (resid 28 and name HA ) 0 1.8 3.94 !83
assign (resid 28 and name HN ) (resid 28 and name HB# ) 0 1.8 3.44 !84
assign (resid 28 and name HA ) (resid 28 and name HB# ) 0 1.8 2.62 !72
assign (resid 29 and name HD* ) (resid 29 and name HB* ) 0 1.8 3.95 !896
assign (resid 27 and name HN ) (resid 27 and name HA ) 0 1.8 3.44 !92
assign (resid 27 and name HN ) (resid 27 and name HB* ) 0 1.8 3.54 !94
assign (resid 27 and name HN ) (resid 27 and name HB* ) 0 1.8 3.12 !164
assign (resid 27 and name HA ) (resid 27 and name HB* ) 0 1.8 3.9 !592
assign (resid 22 and name HA ) (resid 22 and name HB* ) 0 1.8 3.49 !716
assign (resid 26 and name HG2# ) (resid 26 and name HG1* ) 0 1.8 2.71 !1092
assign (resid 26 and name HA ) (resid 26 and name HG1* ) 0 1.8 3.22 !1225
assign (resid 26 and name HA ) (resid 26 and name HD1# ) 0 1.8 3.64 !1226 !3.43
assign (resid 26 and name HB ) (resid 26 and name HG2# ) 0 1.8 2.82 !1231
assign (resid 26 and name HB ) (resid 26 and name HD1# ) 0 1.8 3.31 !1232
assign (resid 26 and name HN ) (resid 26 and name HA ) 0 1.8 3.53 !93
assign (resid 26 and name HN ) (resid 26 and name HB ) 0 1.8 3.23 !95
assign (resid 26 and name HN ) (resid 26 and name HG1* ) 0 1.8 5.27 !96
assign (resid 26 and name HN ) (resid 26 and name HG2# ) 0 1.8 3.92 !97
assign (resid 26 and name HN ) (resid 26 and name HD1# ) 0 1.8 5.09 !99
assign (resid 25 and name HN ) (resid 25 and name HA* ) 0 1.8 3.07 !109
assign (resid 24 and name HA ) (resid 24 and name HB* ) 0 1.8 3.26 !637
assign (resid 24 and name HN ) (resid 24 and name HA ) 0 1.8 2.89 !111
assign (resid 23 and name HN ) (resid 23 and name HA ) 0 1.8 3.53 !116
assign (resid 23 and name HN ) (resid 23 and name HD1# ) 0 1.8 4.04 !117
assign (resid 23 and name HN ) (resid 23 and name HB* ) 0 1.8 3.7 !121
assign (resid 23 and name HN ) (resid 23 and name HG ) 0 1.8 3.63 !478
assign (resid 22 and name HN ) (resid 22 and name HA ) 0 1.8 5.34 !126
assign (resid 22 and name HN ) (resid 22 and name HB* ) 0 1.8 5.1 !129
assign (resid 22 and name HA ) (resid 22 and name HB* ) 0 1.8 3.65 !1217
assign (resid 21 and name HA ) (resid 21 and name HB* ) 0 1.8 3.71 !695
assign (resid 21 and name HN ) (resid 21 and name HA ) 0 1.8 3.94 !131
assign (resid 21 and name HN ) (resid 21 and name HB* ) 0 1.8 3.96 !134
assign (resid 20 and name HA ) (resid 20 and name HD22 ) 0 1.8 5.1 !560
assign (resid 20 and name HN ) (resid 20 and name HD22 ) 0 1.8 4.53 !584
assign (resid 20 and name HN ) (resid 20 and name HD21 ) 0 1.8 4.2 !141
assign (resid 20 and name HN ) (resid 20 and name HA ) 0 1.8 3.74 !45
assign (resid 20 and name HA ) (resid 20 and name HD21 ) 0 1.8 5.02 !46
assign (resid 20 and name HN ) (resid 20 and name HB* ) 0 1.8 3.51 !47
assign (resid 20 and name HB* ) (resid 20 and name HD22 ) 0 1.8 3.72 !50
assign (resid 20 and name HB* ) (resid 20 and name HD21 ) 0 1.8 4 !51
assign (resid 20 and name HA ) (resid 20 and name HB* ) 0 1.8 3.73 !61
assign (resid 19 and name HN ) (resid 19 and name HB* ) 0 1.8 3.44 !187
assign (resid 19 and name HN ) (resid 19 and name HA ) 0 1.8 3.38 !173
assign (resid 19 and name HA ) (resid 19 and name HB* ) 0 1.8 3.31 !178
assign (resid 18 and name HN ) (resid 18 and name HA ) 0 1.8 3.66 !156
assign (resid 18 and name HA ) (resid 18 and name HB* ) 0 1.8 3.63 !161
assign (resid 18 and name HN ) (resid 18 and name HB* ) 0 1.8 3.68 !186
assign (resid 17 and name HN ) (resid 17 and name HA ) 0 1.8 3.17 !146
assign (resid 17 and name HA ) (resid 17 and name HB* ) 0 1.8 3.7 !154
assign (resid 17 and name HN ) (resid 17 and name HB* ) 0 1.8 3.36 !446
assign (resid 16 and name HN ) (resid 16 and name HA ) 0 1.8 3.11 !189
assign (resid 16 and name HN ) (resid 16 and name HB# ) 0 1.8 2.65 !190
assign (resid 16 and name HA ) (resid 16 and name HB# ) 0 1.8 2.68 !1047
assign (resid 15 and name HA ) (resid 15 and name HB* ) 0 1.8 3.41 !730
assign (resid 15 and name HN ) (resid 15 and name HA ) 0 1.8 4.11 !197
assign (resid 15 and name HN ) (resid 15 and name HB* ) 0 1.8 4.35 !409
assign (resid 15 and name HA ) (resid 15 and name HD* ) 0 1.8 4.23 !495
assign (resid 15 and name HB* ) (resid 15 and name HD* ) 0 1.8 5.11 !500
assign (resid 15 and name HB* ) (resid 15 and name HE* ) 0 1.8 5.5 !502
assign (resid 15 and name HE* ) (resid 15 and name HD* ) 0 1.8 4.28 !512
assign (resid 14 and name HA ) (resid 14 and name HB* ) 0 1.8 3.67 !681
assign (resid 14 and name HN ) (resid 14 and name HD# ) 0 1.8 3.66 !544
assign (resid 14 and name HA ) (resid 14 and name HD# ) 0 1.8 3.23 !557
assign (resid 14 and name HA ) (resid 14 and name HE# ) 0 1.8 4.82 !563
assign (resid 14 and name HB* ) (resid 14 and name HE# ) 0 1.8 4.57 !565
assign (resid 14 and name HD# ) (resid 14 and name HE# ) 0 1.8 2.4 !570
assign (resid 14 and name HN ) (resid 14 and name HE# ) 0 1.8 4.93 !585
assign (resid 14 and name HN ) (resid 14 and name HA ) 0 1.8 3.31 !193
assign (resid 14 and name HN ) (resid 14 and name HB* ) 0 1.8 3.88 !199
assign (resid 14 and name HB* ) (resid 14 and name HD# ) 0 1.8 3.08 !424
assign (resid 13 and name HN ) (resid 13 and name HA ) 0 1.8 3.63 !195
assign (resid 13 and name HN ) (resid 13 and name HB* ) 0 1.8 3.76 !203
assign (resid 13 and name HN ) (resid 13 and name HG* ) 0 1.8 4.6 !205
assign (resid 13 and name HA ) (resid 13 and name HB* ) 0 1.8 3.6 !667
assign (resid 13 and name HA ) (resid 13 and name HG* ) 0 1.8 4 !668
assign (resid 13 and name HB* ) (resid 13 and name HG* ) 0 1.8 4.95 !690
assign (resid 13 and name HB* ) (resid 13 and name HG* ) 0 1.8 3.77 !919
assign (resid 12 and name HA ) (resid 12 and name HB* ) 0 1.8 3.37 !797
assign (resid 12 and name HN ) (resid 12 and name HB* ) 0 1.8 4.21 !210
assign (resid 12 and name HN ) (resid 12 and name HA ) 0 1.8 3.4 !215
assign (resid 11 and name HA ) (resid 11 and name HB* ) 0 1.8 3.25 !220
assign (resid 11 and name HG# ) (resid 11 and name HB* ) 0 1.8 3.43 !223
assign (resid 11 and name HA ) (resid 11 and name HD* ) 0 1.8 4 !224
assign (resid 11 and name HD* ) (resid 11 and name HB* ) 0 1.8 4.3 !229
assign (resid 11 and name HB* ) (resid 11 and name HD* ) 0 1.8 4.27 !761
assign (resid 11 and name HG# ) (resid 11 and name HD* ) 0 1.8 5.12 !796
assign (resid 10 and name HA ) (resid 10 and name HB* ) 0 1.8 3.54 !675
assign (resid 10 and name HB* ) (resid 10 and name HE# ) 0 1.8 4.81 !706
assign (resid 10 and name HG* ) (resid 10 and name HE# ) 0 1.8 3.94 !741
assign (resid 10 and name HN ) (resid 10 and name HA ) 0 1.8 3.33 !236
assign (resid 10 and name HN ) (resid 10 and name HB* ) 0 1.8 3.02 !237
assign (resid 10 and name HN ) (resid 10 and name HB* ) 0 1.8 3.7 !238
assign (resid 10 and name HN ) (resid 10 and name HG* ) 0 1.8 4.58 !239
assign (resid 10 and name HN ) (resid 10 and name HE# ) 0 1.8 4.27 !260
assign (resid 10 and name HN ) (resid 10 and name HD# ) 0 1.8 4.37 !401
assign (resid 10 and name HB* ) (resid 10 and name HG* ) 0 1.8 2.59 !939
assign (resid 10 and name HB* ) (resid 10 and name HG* ) 0 1.8 3.4 !649
assign (resid 9 and name HN ) (resid 9 and name HA ) 0 1.8 2.74 !257
assign (resid 9 and name HN ) (resid 9 and name HB* ) 0 1.8 4 !259
assign (resid 9 and name HN ) (resid 9 and name HB* ) 0 1.8 4.18 !399
assign (resid 8 and name HN ) (resid 8 and name HA ) 0 1.8 2.87 !245!2.55
assign (resid 8 and name HA ) (resid 8 and name HB* ) 0 1.8 3.57 !249
assign (resid 8 and name HN ) (resid 8 and name HB* ) 0 1.8 3.56 !255
assign (resid 7 and name HN ) (resid 7 and name HB# ) 0 1.8 3.10 !394!2.58
assign (resid 7 and name HN ) (resid 7 and name HA ) 0 1.8 3.19 !241
assign (resid 7 and name HA ) (resid 7 and name HB# ) 0 1.8 2.6 !1202
assign (resid 6 and name HN ) (resid 6 and name HA ) 0 1.8 3.44 !263
assign (resid 6 and name HN ) (resid 6 and name HB* ) 0 1.8 3.43 !264
assign (resid 5 and name HN ) (resid 5 and name HB* ) 0 1.8 3.93 !268
assign (resid 5 and name HN ) (resid 5 and name HA ) 0 1.8 3.43 !382
assign (resid 4 and name HN ) (resid 4 and name HA ) 0 1.8 3.96 !272
assign (resid 4 and name HN ) (resid 4 and name HB* ) 0 1.8 4.77 !274
assign (resid 4 and name HE# ) (resid 4 and name HD# ) 0 1.8 2.41 !281
assign (resid 4 and name HA ) (resid 4 and name HD# ) 0 1.8 4.02 !282
assign (resid 4 and name HB* ) (resid 4 and name HD# ) 0 1.8 3.6 !283
assign (resid 4 and name HB* ) (resid 4 and name HE# ) 0 1.8 5 !285
assign (resid 4 and name HA ) (resid 4 and name HB* ) 0 1.8 4.33 !290
assign (resid 3 and name HN ) (resid 3 and name HA ) 0 1.8 5.5 !292
assign (resid 3 and name HN ) (resid 3 and name HB# ) 0 1.8 5.5 !293
assign (resid 9 and name HA ) (resid 9 and name HB* ) 0 1.8 3.56 !688
assign (resid 9 and name HA ) (resid 9 and name HG# ) 0 1.8 3.55 !738
assign (resid 6 and name HB* ) (resid 6 and name HG* ) 0 1.8 3.64 !652
assign (resid 6 and name HA ) (resid 6 and name HB* ) 0 1.8 3.73 !661
assign (resid 6 and name HA ) (resid 6 and name HG* ) 0 1.8 4.13 !663
assign (resid 6 and name HB* ) (resid 6 and name HE# ) 0 1.8 4.81 !671
assign (resid 6 and name HB* ) (resid 6 and name HE# ) 0 1.8 3.77 !707
assign (resid 6 and name HG* ) (resid 6 and name HE# ) 0 1.8 3.58 !709
assign (resid 6 and name HB* ) (resid 6 and name HG* ) 0 1.8 2.66 !924
assign (resid 5 and name HA ) (resid 5 and name HB* ) 0 1.8 3.05 !713
assign (resid 2 and name HA ) (resid 2 and name HD* ) 0 1.8 4.85 !731
assign (resid 2 and name HA ) (resid 2 and name HD* ) 0 1.8 3.98 !1237
!sequential
assign (resid 45 and name HB* ) (resid 46 and name HN ) 0 1.8 4.68 !321
assign (resid 45 and name HN ) (resid 46 and name HN ) 0 1.8 4.57 !337
assign (resid 45 and name HA ) (resid 46 and name HN ) 0 1.8 3.03 !328
assign (resid 44 and name HB* ) (resid 45 and name HN ) 0 1.8 4.37 !331
assign (resid 44 and name HA ) (resid 45 and name HN ) 0 1.8 3.15 !332
assign (resid 44 and name HD# ) (resid 45 and name HN ) 0 1.8 4.78 !336
assign (resid 44 and name HN ) (resid 45 and name HN ) 0 1.8 4.52 !338!4.06
assign (resid 43 and name HA ) (resid 44 and name HN ) 0 1.8 3.38 !347
assign (resid 43 and name HN ) (resid 44 and name HN ) 0 1.8 3.93 !359
assign (resid 42 and name HA ) (resid 43 and name HN ) 0 1.8 3.65 !356
assign (resid 42 and name HB# ) (resid 43 and name HN ) 0 1.8 4.46 !360
assign (resid 45 and name HG# ) (resid 46 and name HB ) 0 1.8 3.51 !923
assign (resid 45 and name HA ) (resid 46 and name HG1* ) 0 1.8 3.94 !1040
assign (resid 39 and name HB# ) (resid 40 and name HN ) 0 1.8 5.01 !369
assign (resid 36 and name HA ) (resid 37 and name HN ) 0 1.8 3.18 !371
assign (resid 36 and name HB* ) (resid 37 and name HN ) 0 1.8 4.48 !378
assign (resid 35 and name HB# ) (resid 36 and name HD* ) 0 1.8 3.67 !906
assign (resid 35 and name HD# ) (resid 36 and name HD* ) 0 1.8 3.81 !1108!3.57
assign (resid 35 and name HD# ) (resid 36 and name HD* ) 0 1.8 3.63 !1109
assign (resid 35 and name HB# ) (resid 36 and name HD* ) 0 1.8 3.9 !1240
assign (resid 35 and name HA ) (resid 36 and name HD* ) 0 1.8 3.62 !780!3.41
assign (resid 35 and name HN ) (resid 36 and name HD* ) 0 1.8 5.14 !555
assign (resid 33 and name HN ) (resid 34 and name HN ) 0 1.8 3.6 !547
assign (resid 33 and name HE* ) (resid 34 and name HD1# ) 0 1.8 5.15 !403
assign (resid 33 and name HB# ) (resid 34 and name HG1* ) 0 1.8 4.78 !702
assign (resid 31 and name HA ) (resid 32 and name HN ) 0 1.8 3.5 !528
assign (resid 43 and name HD# ) (resid 44 and name HN ) 0 1.8 4.86 !542
assign (resid 45 and name HG# ) (resid 46 and name HN ) 0 1.8 4.82 !551
assign (resid 34 and name HA ) (resid 35 and name HN ) 0 1.8 3.35 !307
assign (resid 34 and name HB ) (resid 35 and name HN ) 0 1.8 4.46 !310
assign (resid 34 and name HD1# ) (resid 35 and name HN ) 0 1.8 4.81 !311
assign (resid 34 and name HG1* ) (resid 35 and name HN ) 0 1.8 4.06 !313
assign (resid 33 and name HA ) (resid 34 and name HN ) 0 1.8 3.63 !297
assign (resid 33 and name HB# ) (resid 34 and name HN ) 0 1.8 3.83 !299
assign (resid 33 and name HN ) (resid 34 and name HG1* ) 0 1.8 5.03 !306
assign (resid 32 and name HB* ) (resid 33 and name HN ) 0 1.8 4.31 !295
assign (resid 33 and name HD* ) (resid 34 and name HN ) 0 1.8 3.99 !4
assign (resid 32 and name HA ) (resid 33 and name HN ) 0 1.8 3.47 !13!3.25
assign (resid 32 and name HN ) (resid 33 and name HN ) 0 1.8 4.48 !23
assign (resid 30 and name HB* ) (resid 31 and name HN ) 0 1.8 4.7 !32
assign (resid 30 and name HA ) (resid 31 and name HN ) 0 1.8 3.55 !33!3.43
assign (resid 31 and name HG2# ) (resid 32 and name HN ) 0 1.8 4.72 !24
assign (resid 31 and name HN ) (resid 32 and name HN ) 0 1.8 4.3 !39
assign (resid 30 and name HN ) (resid 31 and name HN ) 0 1.8 4.45 !40
assign (resid 29 and name HB* ) (resid 30 and name HN ) 0 1.8 3.94 !53
assign (resid 29 and name HA ) (resid 30 and name HN ) 0 1.8 2.74 !143
assign (resid 28 and name HB# ) (resid 29 and name HA ) 0 1.8 5.08 !71!4.2
assign (resid 28 and name HA ) (resid 29 and name HD* ) 0 1.8 3.35 !85
assign (resid 28 and name HB# ) (resid 29 and name HD* ) 0 1.8 3.04 !87
assign (resid 27 and name HA ) (resid 28 and name HN ) 0 1.8 2.92 !88
assign (resid 27 and name HN ) (resid 28 and name HN ) 0 1.8 4.64 !475
assign (resid 26 and name HA ) (resid 27 and name HN ) 0 1.8 2.67 !417
assign (resid 26 and name HN ) (resid 27 and name HN ) 0 1.8 4.51 !573
assign (resid 26 and name HG2# ) (resid 27 and name HA ) 0 1.8 4.81 !1229
assign (resid 26 and name HD1# ) (resid 27 and name HN ) 0 1.8 4.55 !100
assign (resid 26 and name HG2# ) (resid 27 and name HN ) 0 1.8 3.5 !101
assign (resid 26 and name HG1* ) (resid 27 and name HN ) 0 1.8 5.1 !103
assign (resid 26 and name HB ) (resid 27 and name HN ) 0 1.8 4.5 !104
assign (resid 25 and name HA* ) (resid 26 and name HB ) 0 1.8 4.85 !904
assign (resid 25 and name HN ) (resid 26 and name HN ) 0 1.8 3.26 !114
assign (resid 25 and name HA* ) (resid 26 and name HN ) 0 1.8 3.77 !107
assign (resid 24 and name HA ) (resid 25 and name HN ) 0 1.8 3.46 !110!3.17
assign (resid 24 and name HN ) (resid 25 and name HN ) 0 1.8 3.82 !112!3.62
assign (resid 23 and name HA ) (resid 24 and name HN ) 0 1.8 3.48 !115!3.2
assign (resid 23 and name HD1# ) (resid 24 and name HN ) 0 1.8 4.82 !118!4.14
assign (resid 23 and name HB* ) (resid 24 and name HN ) 0 1.8 4.57 !120
assign (resid 23 and name HB* ) (resid 24 and name HB* ) 0 1.8 4.79 !757
assign (resid 23 and name HN ) (resid 24 and name HN ) 0 1.8 4.67 !479
assign (resid 22 and name HB* ) (resid 23 and name HN ) 0 1.8 4.53 !393
assign (resid 22 and name HN ) (resid 23 and name HN ) 0 1.8 5.1 !456
assign (resid 21 and name HN ) (resid 22 and name HN ) 0 1.8 5.33 !457
assign (resid 21 and name HA ) (resid 22 and name HB* ) 0 1.8 5.09 !1216
assign (resid 21 and name HB* ) (resid 22 and name HA ) 0 1.8 4.74 !1242
assign (resid 22 and name HA ) (resid 23 and name HN ) 0 1.8 2.79 !144
assign (resid 21 and name HA ) (resid 22 and name HN ) 0 1.8 4.87 !127
assign (resid 21 and name HB* ) (resid 22 and name HN ) 0 1.8 4.88 !128
assign (resid 20 and name HA ) (resid 21 and name HN ) 0 1.8 3.97 !133
assign (resid 20 and name HD22 ) (resid 21 and name HN ) 0 1.8 5.09 !583!4.86
assign (resid 20 and name HD21 ) (resid 21 and name HN ) 0 1.8 5.43 !471
assign (resid 20 and name HB* ) (resid 21 and name HN ) 0 1.8 3.19 !137
assign (resid 20 and name HN ) (resid 21 and name HN ) 0 1.8 3.97 !140
assign (resid 19 and name HN ) (resid 20 and name HN ) 0 1.8 3.42 !464
assign (resid 19 and name HA ) (resid 20 and name HD22 ) 0 1.8 4.79 !559 !!!4.37
assign (resid 19 and name HB* ) (resid 20 and name HD22 ) 0 1.8 5.17 !561
assign (resid 19 and name HB* ) (resid 20 and name HD21 ) 0 1.8 5.19 !1200
assign (resid 19 and name HB* ) (resid 20 and name HN ) 0 1.8 3.76 !58 !3.48
assign (resid 18 and name HA ) (resid 19 and name HN ) 0 1.8 2.87 !174
assign (resid 18 and name HN ) (resid 19 and name HN ) 0 1.8 4.76 !462
assign (resid 17 and name HN ) (resid 18 and name HN ) 0 1.8 3.05 !549
assign (resid 17 and name HA ) (resid 18 and name HN ) 0 1.8 4.02 !149
assign (resid 17 and name HB* ) (resid 18 and name HN ) 0 1.8 4.11 !158
assign (resid 16 and name HN ) (resid 17 and name HN ) 0 1.8 3.4 !550
assign (resid 16 and name HA ) (resid 17 and name HN ) 0 1.8 3.69 !147
assign (resid 16 and name HB# ) (resid 17 and name HN ) 0 1.8 3.38 !191
assign (resid 15 and name HB* ) (resid 16 and name HA ) 0 1.8 4.69 !801
assign (resid 15 and name HB* ) (resid 16 and name HB# ) 0 1.8 5.3 !829
assign (resid 15 and name HN ) (resid 16 and name HN ) 0 1.8 4.11 !513
assign (resid 15 and name HB* ) (resid 16 and name HN ) 0 1.8 4.17 !416
assign (resid 14 and name HA ) (resid 15 and name HN ) 0 1.8 3.37 !196
assign (resid 14 and name HB* ) (resid 15 and name HN ) 0 1.8 4.16 !381
assign (resid 14 and name HD# ) (resid 15 and name HN ) 0 1.8 4.69 !510
assign (resid 14 and name HN ) (resid 15 and name HN ) 0 1.8 5.13 !511
assign (resid 13 and name HN ) (resid 14 and name HD# ) 0 1.8 4.77 !1207
assign (resid 13 and name HG* ) (resid 14 and name HE# ) 0 1.8 5 !566
assign (resid 13 and name HB* ) (resid 14 and name HE# ) 0 1.8 4 !568
assign (resid 13 and name HN ) (resid 14 and name HN ) 0 1.8 2.69 !546
assign (resid 13 and name HN ) (resid 14 and name HB* ) 0 1.8 4.63 !391
assign (resid 13 and name HG* ) (resid 14 and name HD# ) 0 1.8 4.99 !426
assign (resid 13 and name HB* ) (resid 14 and name HD# ) 0 1.8 3.67 !428
assign (resid 13 and name HB* ) (resid 14 and name HN ) 0 1.8 3.69 !400
assign (resid 13 and name HG* ) (resid 14 and name HN ) 0 1.8 4.81 !434
assign (resid 13 and name HA ) (resid 14 and name HN ) 0 1.8 3.78 !194
assign (resid 13 and name HB* ) (resid 14 and name HN ) 0 1.8 3.6 !201
assign (resid 12 and name HB* ) (resid 13 and name HN ) 0 1.8 3.67 !207
assign (resid 12 and name HA ) (resid 13 and name HN ) 0 1.8 3.52 !214
assign (resid 12 and name HN ) (resid 13 and name HN ) 0 1.8 4.57 !521
assign (resid 11 and name HB* ) (resid 12 and name HN ) 0 1.8 3.82 !212
assign (resid 11 and name HG# ) (resid 12 and name HN ) 0 1.8 3.7 !90
assign (resid 10 and name HG* ) (resid 11 and name HD* ) 0 1.8 4.76 !770
assign (resid 10 and name HB* ) (resid 11 and name HA ) 0 1.8 5 !870
assign (resid 10 and name HG* ) (resid 11 and name HD* ) 0 1.8 5.5 !900
assign (resid 10 and name HA ) (resid 11 and name HB* ) 0 1.8 5.2 !792
assign (resid 10 and name HG* ) (resid 11 and name HD* ) 0 1.8 4.68 !676
assign (resid 10 and name HA ) (resid 11 and name HD* ) 0 1.8 3.29 !227
assign (resid 10 and name HB* ) (resid 11 and name HD* ) 0 1.8 5 !231
assign (resid 9 and name HG# ) (resid 10 and name HB* ) 0 1.8 4.97 !837
assign (resid 9 and name HB* ) (resid 10 and name HG* ) 0 1.8 4.53 !843
assign (resid 9 and name HB* ) (resid 10 and name HN ) 0 1.8 4.68 !1206
assign (resid 9 and name HN ) (resid 10 and name HN ) 0 1.8 3.52 !574!3.19
assign (resid 9 and name HG# ) (resid 10 and name HN ) 0 1.8 4.35 !430
assign (resid 9 and name HA ) (resid 10 and name HN ) 0 1.8 3.53 !437!3.41
assign (resid 8 and name HN ) (resid 9 and name HN ) 0 1.8 4.66 !535
assign (resid 8 and name HB* ) (resid 9 and name HB* ) 0 1.8 4.92 !845
assign (resid 8 and name HB* ) (resid 9 and name HA ) 0 1.8 5.5 !251
assign (resid 8 and name HB* ) (resid 9 and name HN ) 0 1.8 3.8 !256
assign (resid 8 and name HA ) (resid 9 and name HN ) 0 1.8 3.34 !258 !2.74
assign (resid 7 and name HN ) (resid 8 and name HN ) 0 1.8 4.54 !242!4.15
assign (resid 7 and name HA ) (resid 8 and name HN ) 0 1.8 2.5 !246
assign (resid 7 and name HB# ) (resid 8 and name HN ) 0 1.8 2.92 !531!2.69
assign (resid 6 and name HG* ) (resid 7 and name HN ) 0 1.8 3.7 !439
assign (resid 6 and name HB* ) (resid 7 and name HN ) 0 1.8 4.04 !441
assign (resid 6 and name HN ) (resid 7 and name HN ) 0 1.8 4.52 !487!4.29
assign (resid 6 and name HA ) (resid 7 and name HN ) 0 1.8 2.79 !262
assign (resid 5 and name HB* ) (resid 6 and name HN ) 0 1.8 3.64 !269
assign (resid 5 and name HN ) (resid 6 and name HN ) 0 1.8 4.75 !271
assign (resid 5 and name HA ) (resid 6 and name HN ) 0 1.8 2.75 !383
assign (resid 5 and name HB* ) (resid 6 and name HB* ) 0 1.8 5.3 !836
assign (resid 5 and name HB* ) (resid 6 and name HB* ) 0 1.8 4.89 !853
assign (resid 4 and name HA ) (resid 5 and name HN ) 0 1.8 3.04 !275
assign (resid 4 and name HN ) (resid 5 and name HN ) 0 1.8 4.64 !277 !4.43
assign (resid 4 and name HB* ) (resid 5 and name HN ) 0 1.8 4.23 !278
assign (resid 4 and name HD# ) (resid 5 and name HN ) 0 1.8 4.72 !279
assign (resid 3 and name HB# ) (resid 4 and name HN ) 0 1.8 4.37 !529
assign (resid 3 and name HA ) (resid 4 and name HN ) 0 1.8 3.9 !530
assign (resid 1 and name HA* ) (resid 2 and name HD* ) 0 1.8 4.51 !980
!medium
assign (resid 42 and name HA ) (resid 44 and name HN ) 0 1.8 4.99 !540
assign (resid 33 and name HN ) (resid 35 and name HN ) 0 1.8 4.73 !548
assign (resid 33 and name HB# ) (resid 35 and name HN ) 0 1.8 4.48 !314
assign (resid 33 and name HE* ) (resid        35 and name HB# ) 0 1.8 4.72 !404
assign (resid 33 and name HE* ) (resid 35 and name HD# ) 0 1.8 5.03 !602
assign (resid 33 and name HD* ) (resid 35 and name HD# ) 0 1.8 4.27 !606
assign (resid 32 and name HD22 ) (resid 35 and name HB# ) 0 1.8 4.99 !598
assign (resid 32 and name HD22 ) (resid 35 and name HD# ) 0 1.8 4.53 !605
assign (resid 32 and name HD21 ) (resid 35 and name HD# ) 0 1.8 4.55 !609
assign (resid 32 and name HD21 ) (resid 35 and name HB# ) 0 1.8 5.04 !612
assign (resid 31 and name HG2# ) (resid 33 and name HD* ) 0 1.8 4.39 !600
assign (resid 29 and name HB* ) (resid 32 and name HD22 ) 0 1.8 5.28 !562
assign (resid 29 and name HB* ) (resid 31 and name HG2# ) 0 1.8 4.47 !834
assign (resid 26 and name HG2# ) (resid 28 and name HN ) 0 1.8 4.47 !405
assign (resid 24 and name HA ) (resid 26 and name HN ) 0 1.8 4.76 !556
assign (resid 23 and name HN ) (resid 26 and name HN ) 0 1.8 3.88 !572 !3.61
assign (resid 23 and name HN ) (resid 25 and name HN ) 0 1.8 5.14 !1220!4.93
assign (resid 21 and name HB* ) (resid 23 and name HD1# ) 0 1.8 3.79 !700
assign (resid 21 and name HB* ) (resid 23 and name HD1# ) 0 1.8 4.06 !701
assign (resid 21 and name HB* ) (resid 23 and name HG ) 0 1.8 4.06 !1215
assign (resid 18 and name HB* ) (resid 21 and name HA ) 0 1.8 5.09 !1243
assign (resid 18 and name HB* ) (resid 21 and name HN ) 0 1.8 4.73 !138
assign (resid 18 and name HA ) (resid 20 and name HN ) 0 1.8 4.24 !421
assign (resid 16 and name HA ) (resid 18 and name HN ) 0 1.8 3.99 !148
assign (resid 16 and name HB# ) (resid 18 and name HN ) 0 1.8 4.80 !192!4.57
assign (resid 16 and name HN ) (resid 18 and name HN ) 0 1.8 4.67 !519!4.45
assign (resid 14 and name HN ) (resid 17 and name HB* ) 0 1.8 4.32 !543
assign (resid 14 and name HB* ) (resid 17 and name HN ) 0 1.8 3.99 !447
assign (resid 14 and name HB* ) (resid 16 and name HN ) 0 1.8 3.63 !414
!assign (resid 14 and name HB* ) (resid 16 and name HB# ) 0 1.8 3.98 !1208
assign (resid 14 and name HD# ) (resid 16 and name HN ) 0 1.8 4.33 !1193
!assign (resid 14 and name HA ) (resid 16 and name HB# ) 0 1.8 5.00 !1210 !4.87
assign (resid 12 and name HB* ) (resid 14 and name HN ) 0 1.8 3.74 !432
assign (resid 8 and name HA ) (resid 10 and name HN ) 0 1.8 4.43 !438!3.59
assign (resid 8 and name HB* ) (resid 10 and name HN ) 0 1.8 5.4 !261
assign (resid 8 and name HN ) (resid 10 and name HN ) 0 1.8 4.95 !534!4.81
assign (resid 7 and name HN ) (resid 10 and name HB* ) 0 1.8 4.45 !442
assign (resid 7 and name HN ) (resid 10 and name HN ) 0 1.8 5.42 !577
!long
assign (resid 23 and name HN ) (resid 28 and name HB# ) 0 1.8 4.09 !123
assign (resid 23 and name HN ) (resid 28 and name HN ) 0 1.8 4.55 !1190
assign (resid 23 and name HN ) (resid 27 and name HA ) 0 1.8 3.75 !145
assign (resid 22 and name HA ) (resid 28 and name HB# ) 0 1.8 4.76 !1218
assign (resid 22 and name HB* ) (resid 27 and name HA ) 0 1.8 5.02 !787
assign (resid 22 and name HA ) (resid 27 and name HA ) 0 1.8 3.65 !591
assign (resid 21 and name HB* ) (resid 38 and name HB* ) 0 1.8 4.22 !913
assign (resid 21 and name HA ) (resid 38 and name HB* ) 0 1.8 5.13 !790
assign (resid 21 and name HB* ) (resid 30 and name HA ) 0 1.8 4.58 !803
assign (resid 21 and name HB* ) (resid 28 and name HN ) 0 1.8 5.04 !1196
assign (resid 21 and name HN ) (resid 28 and name HN ) 0 1.8 3.8 !454
assign (resid 21 and name HN ) (resid 27 and name HA ) 0 1.8 4.94 !139
assign (resid 20 and name HB* ) (resid 28 and name HN ) 0 1.8 4.88 !1194
assign (resid 18 and name HB* ) (resid 27 and name HA ) 0 1.8 4.62 !786
assign (resid 18 and name HB* ) (resid 27 and name HB* ) 0 1.8 4.33 !169
assign (resid 17 and name HN ) (resid 22 and name HB* ) 0 1.8 4.66 !449
assign (resid 15 and name HD* ) (resid 38 and name HB* ) 0 1.8 4.14 !1184
assign (resid 15 and name HD* ) (resid 22 and name HA ) 0 1.8 4.9 !494
assign (resid 15 and name HD* ) (resid 22 and name HB* ) 0 1.8 4.5 !497
assign (resid 15 and name HD* ) (resid 22 and name HN ) 0 1.8 3.48 !458
assign (resid 15 and name HD* ) (resid 23 and name HG ) 0 1.8 4.12 !501
assign (resid 15 and name HD* ) (resid 40 and name HG2# ) 0 1.8 4.53 !527
assign (resid 15 and name HE* ) (resid 38 and name HB* ) 0 1.8 4.31 !1186
assign (resid 15 and name HE* ) (resid 37 and name HA* ) 0 1.8 4.47 !423
assign (resid 15 and name HD* ) (resid 21 and name HA ) 0 1.8 4.26 !493
assign (resid 15 and name HD* ) (resid 21 and name HB* ) 0 1.8 4.34 !498!3.98
assign (resid 15 and name HB* ) (resid 21 and name HA ) 0 1.8 4.32 !729
assign (resid 15 and name HB* ) (resid 38 and name HB* ) 0 1.8 4.99 !733
assign (resid 15 and name HA ) (resid 22 and name HN ) 0 1.8 4.8 !1180
assign (resid 13 and name HN ) (resid 17 and name HB* ) 0 1.8 4.53 !392
assign (resid 12 and name HN ) (resid 27 and name HN ) 0 1.8 5.44 !473 !5.2
assign (resid 12 and name HN ) (resid 26 and name HN ) 0 1.8 5.50 !523 !5.31
assign (resid 12 and name HN ) (resid 26 and name HA ) 0 1.8 5.20 !526!5
!assign (resid 12 and name HN ) (resid 25 and name HN ) 0 1.8 5.5 !1221
!assign (resid 12 and name HA ) (resid 17 and name HB* ) 0 1.8 5.09 !1211
assign (resid 11 and name HG# ) (resid 26 and name HN ) 0 1.8 5.21 !571
assign (resid 11 and name HG# ) (resid 26 and name HB ) 0 1.8 4.7 !883
assign (resid 11 and name HG# ) (resid 27 and name HN ) 0 1.8 4.03 !91 !3.79
assign (resid 10 and name HN ) (resid 27 and name HN ) 0 1.8 3.58 !472
assign (resid 10 and name HN ) (resid 27 and name HA ) 0 1.8 5.9 !436!4.88
assign (resid 10 and name HB* ) (resid 27 and name HN ) 0 1.8 5.5 !390
assign (resid 10 and name HN ) (resid 27 and name HB* ) 0 1.8 3.84 !167
assign (resid 9 and name HN ) (resid 27 and name HB* ) 0 1.8 3.83 !166!3.7
assign (resid 9 and name HN ) (resid 27 and name HN ) 0 1.8 4.03 !467
assign (resid 9 and name HN ) (resid 27 and name HA ) 0 1.8 5.69 !435!5.01
assign (resid 9 and name HA ) (resid 27 and name HN ) 0 1.8 4.08 !387
!assign (resid 9 and name HA ) (resid 26 and name HG2# ) 0 1.8 3 !1233
!assign (resid 9 and name HA ) (resid 26 and name HD1# ) 0 1.8 3.86 !1234
!assign (resid 9 and name HA ) (resid 26 and name HB ) 0 1.8 4.9 !899
!assign (resid 9 and name HN ) (resid 26 and name HG1* ) 0 1.8 4.8 !124
!assign (resid 9 and name HN ) (resid 26 and name HG2# ) 0 1.8 3.55 !125
assign (resid 8 and name HB* ) (resid 29 and name HD* ) 0 1.8 4.66 !862
assign (resid 8 and name HB* ) (resid 28 and name HA ) 0 1.8 4.31 !807
assign (resid 8 and name HN ) (resid 27 and name HB* ) 0 1.8 4.78 !532
assign (resid 8 and name HA ) (resid 27 and name HB* ) 0 1.8 4.23 !727
assign (resid 8 and name HA ) (resid 27 and name HN ) 0 1.8 4.40 !386!4.13
assign (resid 8 and name HA ) (resid 26 and name HG2# ) 0 1.8 4.37 !1235
assign (resid 7 and name HN ) (resid 19 and name HN ) 0 1.8 5.32 !516
assign (resid 6 and name HB* ) (resid 19 and name HN ) 0 1.8 4.29 !407
assign (resid 6 and name HN ) (resid 19 and name HN ) 0 1.8 3.71 !465
assign (resid 6 and name HB* ) (resid 18 and name HN ) 0 1.8 5.23 !385
assign (resid 6 and name HB* ) (resid 18 and name HA ) 0 1.8 3.98 !673
assign (resid 6 and name HB* ) (resid 18 and name HB* ) 0 1.8 4.77 !825
assign (resid 6 and name HN ) (resid 18 and name HA ) 0 1.8 3.12 !175
assign (resid 6 and name HN ) (resid 18 and name HB* ) 0 1.8 4.5 !411
assign (resid 6 and name HN ) (resid 18 and name HN ) 0 1.8 4.82 !486
assign (resid 6 and name HG* ) (resid 18 and name HN ) 0 1.8 5.24 !444
assign (resid 6 and name HN ) (resid 17 and name HB* ) 0 1.8 4.99 !484
assign (resid 6 and name HB* ) (resid 17 and name HB* ) 0 1.8 4.98 !1212
assign (resid 6 and name HG* ) (resid 17 and name HB* ) 0 1.8 4.87 !1213
assign (resid 5 and name HB* ) (resid 19 and name HN ) 0 1.8 3.95 !1198
assign (resid 5 and name HB* ) (resid 18 and name HA ) 0 1.8 5.05 !715

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1H       GLY   1 -20.401   4.825  -4.870
    2    H2   GLY   1           2H       GLY   1 -20.252   5.194  -6.521
    3    H3   GLY   1           3H       GLY   1 -19.583   6.228  -5.354
    4    HA2  GLY   1           2HA      GLY   1 -18.713   3.427  -5.810
    5    HA3  GLY   1           1HA      GLY   1 -17.903   4.847  -6.471
    6    HA   HYP   2           HA       HYP   2 -17.359   4.815  -1.671
    7    HB2  HYP   2           1HB      HYP   2 -17.310   2.308  -0.577
    8    HB3  HYP   2           2HB      HYP   2 -18.788   3.283  -0.694
    9    HG   HYP   2           HG       HYP   2 -17.835   1.067  -2.436
   10   HD22  HYP   2          1HD       HYP   2 -19.865   2.930  -3.533
   11   HD23  HYP   2          2HD       HYP   2 -18.602   1.995  -4.362
   12    HD1  HYP   2           HOD      HYP   2 -19.799   0.298  -2.005
   13    H    SER   3           H        SER   3 -15.304   4.447  -0.574
   14    HA   SER   3           HA       SER   3 -13.089   3.919  -2.325
   15    HB2  SER   3           2HB      SER   3 -12.548   3.673   0.546
   16    HB3  SER   3           1HB      SER   3 -11.974   4.887  -0.591
   17    HG   SER   3           HG       SER   3 -13.390   6.179   0.262
   18    H    PHE   4           H        PHE   4 -12.534   1.866  -3.030
   19    HA   PHE   4           HA       PHE   4 -13.025  -0.446  -1.183
   20    HB2  PHE   4           2HB      PHE   4 -13.334  -1.758  -3.149
   21    HB3  PHE   4           1HB      PHE   4 -14.147  -0.237  -3.494
   22    HD1  PHE   4           HD1      PHE   4 -13.130   1.417  -5.024
   23    HD2  PHE   4           HD2      PHE   4 -11.324  -2.411  -4.308
   24    HE1  PHE   4           HE1      PHE   4 -11.723   1.703  -7.045
   25    HE2  PHE   4           HE2      PHE   4  -9.916  -2.127  -6.326
   26    HZ   PHE   4           HZ       PHE   4 -10.118  -0.071  -7.699
   27    H    CYS   5           H        CYS   5 -11.259  -1.690  -0.552
   28    HA   CYS   5           HA       CYS   5  -8.778  -1.929  -1.966
   29    HB2  CYS   5           2HB      CYS   5  -7.497  -0.466  -0.205
   30    HB3  CYS   5           1HB      CYS   5  -8.312   0.339  -1.543
   31    H    LYS   6           H        LYS   6  -7.020  -2.862  -0.422
   32    HA   LYS   6           HA       LYS   6  -8.271  -4.854   1.339
   33    HB2  LYS   6           2HB      LYS   6  -6.207  -4.884  -0.378
   34    HB3  LYS   6           1HB      LYS   6  -5.315  -4.443   1.078
   35    HG2  LYS   6           2HG      LYS   6  -5.337  -6.876   0.830
   36    HG3  LYS   6           1HG      LYS   6  -6.287  -6.415   2.241
   37    HD2  LYS   6           2HD      LYS   6  -7.975  -7.634   1.351
   38    HD3  LYS   6           1HD      LYS   6  -8.144  -6.339   0.167
   39    HE2  LYS   6           2HE      LYS   6  -6.100  -7.739  -0.974
   40    HE3  LYS   6           1HE      LYS   6  -6.974  -9.056  -0.166
   41    HZ1  LYS   6           3HZ      LYS   6  -8.085  -7.052  -2.064
   42    HZ2  LYS   6           1HZ      LYS   6  -9.060  -8.076  -1.127
   43    HZ3  LYS   6           2HZ      LYS   6  -7.999  -8.732  -2.277
   44    H    ALA   7           H        ALA   7  -7.207  -5.185   3.571
   45    HA   ALA   7           HA       ALA   7  -7.074  -2.538   4.957
   46    HB1  ALA   7           3HB      ALA   7  -7.098  -4.940   6.610
   47    HB2  ALA   7           1HB      ALA   7  -8.391  -4.964   5.411
   48    HB3  ALA   7           2HB      ALA   7  -8.266  -3.619   6.543
   49    H    ASP   8           H        ASP   8  -5.621  -2.721   7.041
   50    HA   ASP   8           HA       ASP   8  -2.870  -2.950   6.209
   51    HB2  ASP   8           2HB      ASP   8  -4.126  -2.769   8.964
   52    HB3  ASP   8           1HB      ASP   8  -2.441  -2.423   8.590
   53    H    GLU   9           H        GLU   9  -1.382  -4.240   7.937
   54    HA   GLU   9           HA       GLU   9  -0.623  -6.329   8.729
   55    HB2  GLU   9           2HB      GLU   9  -3.452  -7.356   8.492
   56    HB3  GLU   9           1HB      GLU   9  -2.219  -7.800   9.668
   57    HG2  GLU   9           2HG      GLU   9  -2.424  -5.185  10.261
   58    HG3  GLU   9           1HG      GLU   9  -4.047  -5.449   9.623
   59    H    LYS  10           H        LYS  10  -3.197  -6.839   6.314
   60    HA   LYS  10           HA       LYS  10  -1.768  -9.082   5.070
   61    HB2  LYS  10           2HB      LYS  10  -3.794  -9.039   3.585
   62    HB3  LYS  10           1HB      LYS  10  -4.191  -9.107   5.299
   63    HG2  LYS  10           2HG      LYS  10  -3.975  -6.358   4.530
   64    HG3  LYS  10           1HG      LYS  10  -5.033  -7.176   3.381
   65    HD2  LYS  10           2HD      LYS  10  -5.344  -7.583   6.359
   66    HD3  LYS  10           1HD      LYS  10  -6.113  -6.225   5.538
   67    HE2  LYS  10           2HE      LYS  10  -7.460  -7.658   4.184
   68    HE3  LYS  10           1HE      LYS  10  -6.473  -9.081   4.575
   69    HZ1  LYS  10           3HZ      LYS  10  -7.114  -8.858   6.893
   70    HZ2  LYS  10           1HZ      LYS  10  -8.496  -9.018   5.922
   71    HZ3  LYS  10           2HZ      LYS  10  -8.061  -7.495   6.532
   72    HA   HYP  11           HA       HYP  11   0.448  -5.930   2.657
   73    HB2  HYP  11           1HB      HYP  11   2.334  -7.659   1.692
   74    HB3  HYP  11           2HB      HYP  11   2.423  -6.917   3.300
   75    HG   HYP  11           HG       HYP  11   2.504  -9.102   3.911
   76   HD22  HYP  11          1HD       HYP  11   0.743  -8.396   5.160
   77   HD23  HYP  11          2HD       HYP  11  -0.109  -9.658   4.244
   78    HD1  HYP  11           HOD      HYP  11   0.693  -9.726   1.772
   79    H    CYS  12           H        CYS  12   1.357  -6.182   0.231
   80    HA   CYS  12           HA       CYS  12  -0.478  -7.887  -1.402
   81    HB2  CYS  12           2HB      CYS  12  -1.371  -6.012  -2.559
   82    HB3  CYS  12           1HB      CYS  12  -1.368  -5.510  -0.870
   83    H    GLU  13           H        GLU  13   0.133  -7.324  -3.885
   84    HA   GLU  13           HA       GLU  13   2.993  -7.954  -4.176
   85    HB2  GLU  13           2HB      GLU  13   0.536  -7.745  -5.913
   86    HB3  GLU  13           1HB      GLU  13   2.121  -7.765  -6.682
   87    HG2  GLU  13           2HG      GLU  13   1.970 -10.019  -6.563
   88    HG3  GLU  13           1HG      GLU  13   2.328  -9.818  -4.849
   89    H    TYR  14           H        TYR  14   0.787  -5.357  -5.239
   90    HA   TYR  14           HA       TYR  14   3.082  -3.665  -6.058
   91    HB2  TYR  14           2HB      TYR  14   0.118  -3.029  -6.126
   92    HB3  TYR  14           1HB      TYR  14   1.381  -2.354  -7.144
   93    HD1  TYR  14           HD2      TYR  14   2.822  -4.437  -8.334
   94    HD2  TYR  14           HD1      TYR  14  -1.321  -4.451  -7.209
   95    HE1  TYR  14           HE2      TYR  14   2.364  -6.192 -10.029
   96    HE2  TYR  14           HE1      TYR  14  -1.771  -6.209  -8.895
   97    HH   TYR  14           HH       TYR  14   0.363  -8.114 -10.196
   98    H    HIS  15           H        HIS  15   0.897  -1.442  -5.231
   99    HA   HIS  15           HA       HIS  15   1.543  -1.370  -2.321
  100    HB2  HIS  15           2HB      HIS  15   2.953   0.027  -4.273
  101    HB3  HIS  15           1HB      HIS  15   1.818   1.223  -3.647
  102    HD1  HIS  15           HD1      HIS  15   1.658   0.578  -0.734
  103    HD2  HIS  15           HD2      HIS  15   5.259   0.474  -2.832
  104    HE1  HIS  15           HE1      HIS  15   3.511   0.843   0.989
  105    H    ALA  16           H        ALA  16  -0.728  -0.707  -4.860
  106    HA   ALA  16           HA       ALA  16  -2.297   1.171  -3.188
  107    HB1  ALA  16           3HB      ALA  16  -2.875   0.086  -5.953
  108    HB2  ALA  16           1HB      ALA  16  -1.793   1.449  -5.666
  109    HB3  ALA  16           2HB      ALA  16  -3.497   1.569  -5.228
  110    H    ASP  17           H        ASP  17  -2.156  -2.223  -3.647
  111    HA   ASP  17           HA       ASP  17  -4.845  -3.066  -3.776
  112    HB2  ASP  17           2HB      ASP  17  -2.355  -4.058  -2.392
  113    HB3  ASP  17           1HB      ASP  17  -3.867  -4.950  -2.231
  114    H    CYS  18           H        CYS  18  -2.948  -2.068  -0.946
  115    HA   CYS  18           HA       CYS  18  -5.174  -2.382   0.940
  116    HB2  CYS  18           2HB      CYS  18  -2.322  -1.509   0.907
  117    HB3  CYS  18           1HB      CYS  18  -3.318  -0.964   2.253
  118    H    CYS  19           H        CYS  19  -6.170  -0.592   2.086
  119    HA   CYS  19           HA       CYS  19  -6.903   1.691   0.521
  120    HB2  CYS  19           2HB      CYS  19  -6.893   1.308   3.532
  121    HB3  CYS  19           1HB      CYS  19  -7.874   2.471   2.639
  122    H    ASN  20           H        ASN  20  -3.940   1.043   2.087
  123    HA   ASN  20           HA       ASN  20  -3.171   3.915   1.857
  124    HB2  ASN  20           2HB      ASN  20  -2.475   2.085   4.178
  125    HB3  ASN  20           1HB      ASN  20  -2.105   3.801   4.036
  126   HD21  ASN  20          1HD2      ASN  20  -4.642   1.480   4.738
  127   HD22  ASN  20          2HD2      ASN  20  -5.813   2.618   5.189
  128    H    CYS  21           H        CYS  21  -1.341   1.119   3.153
  129    HA   CYS  21           HA       CYS  21   0.316   1.045   0.658
  130    HB2  CYS  21           2HB      CYS  21   1.156   1.740   3.483
  131    HB3  CYS  21           1HB      CYS  21   2.318   1.104   2.320
  132    H    CYS  22           H        CYS  22   1.354  -1.044   0.374
  133    HA   CYS  22           HA       CYS  22   0.960  -3.047   2.531
  134    HB2  CYS  22           2HB      CYS  22   0.007  -4.577   0.691
  135    HB3  CYS  22           1HB      CYS  22  -1.038  -3.295   1.283
  136    H    LEU  23           H        LEU  23   3.351  -2.853   2.619
  137    HA   LEU  23           HA       LEU  23   4.923  -3.634   0.257
  138    HB2  LEU  23           2HB      LEU  23   5.443  -3.029   3.169
  139    HB3  LEU  23           1HB      LEU  23   6.732  -3.642   2.135
  140    HG   LEU  23           HG       LEU  23   5.096  -1.309   1.180
  141   HD11  LEU  23          1HD1      LEU  23   6.670   0.228   2.311
  142   HD12  LEU  23          2HD1      LEU  23   7.427  -1.144   3.120
  143   HD13  LEU  23          3HD1      LEU  23   5.756  -0.715   3.488
  144   HD21  LEU  23          3HD2      LEU  23   7.063  -2.716   0.020
  145   HD22  LEU  23          1HD2      LEU  23   8.059  -1.581   0.928
  146   HD23  LEU  23          2HD2      LEU  23   6.883  -0.980  -0.243
  147    H    SER  24           H        SER  24   6.315  -5.561   0.280
  148    HA   SER  24           HA       SER  24   5.069  -8.016   0.574
  149    HB2  SER  24           2HB      SER  24   7.174  -7.764  -0.594
  150    HB3  SER  24           1HB      SER  24   7.981  -7.219   0.874
  151    HG   SER  24           HG       SER  24   7.264  -9.780   0.049
  152    H    GLY  25           H        GLY  25   6.991  -6.330   3.046
  153    HA2  GLY  25           2HA      GLY  25   6.989  -8.325   5.037
  154    HA3  GLY  25           1HA      GLY  25   7.022  -6.593   5.380
  155    H    ILE  26           H        ILE  26   4.623  -5.635   4.655
  156    HA   ILE  26           HA       ILE  26   2.323  -7.261   5.270
  157    HB   ILE  26           HB       ILE  26   3.982  -6.258   7.457
  158   HG12  ILE  26          2HG1      ILE  26   1.448  -7.754   7.925
  159   HG13  ILE  26          1HG1      ILE  26   2.681  -8.542   6.944
  160   HG21  ILE  26          1HG2      ILE  26   2.395  -4.363   7.508
  161   HG22  ILE  26          2HG2      ILE  26   2.173  -5.411   8.908
  162   HG23  ILE  26          3HG2      ILE  26   1.040  -5.493   7.560
  163   HD11  ILE  26          3HD1      ILE  26   3.342  -7.287   9.616
  164   HD12  ILE  26          1HD1      ILE  26   4.274  -8.477   8.704
  165   HD13  ILE  26          2HD1      ILE  26   2.767  -8.949   9.486
  166    H    CYS  27           H        CYS  27   0.354  -5.821   5.645
  167    HA   CYS  27           HA       CYS  27   0.573  -3.369   3.999
  168    HB2  CYS  27           2HB      CYS  27  -1.245  -4.964   3.703
  169    HB3  CYS  27           1HB      CYS  27  -1.716  -4.767   5.388
  170    H    ALA  28           H        ALA  28   0.286  -1.291   4.758
  171    HA   ALA  28           HA       ALA  28  -0.150  -0.884   7.689
  172    HB1  ALA  28           3HB      ALA  28   1.744   1.016   6.819
  173    HB2  ALA  28           1HB      ALA  28   2.256  -0.513   6.098
  174    HB3  ALA  28           2HB      ALA  28   2.051  -0.384   7.847
  175    HA   HYP  29           HA       HYP  29  -2.882   2.302   6.361
  176    HB2  HYP  29           1HB      HYP  29  -2.809   3.915   8.575
  177    HB3  HYP  29           2HB      HYP  29  -3.668   2.365   8.522
  178    HG   HYP  29           HG       HYP  29  -0.994   3.010   9.643
  179   HD22  HYP  29          1HD       HYP  29  -1.631   0.170   8.994
  180   HD23  HYP  29          2HD       HYP  29  -0.066   1.010   9.036
  181    HD1  HYP  29           HOD      HYP  29  -1.964   1.287  11.148
  182    H    SER  30           H        SER  30  -2.907   4.790   6.101
  183    HA   SER  30           HA       SER  30  -0.295   5.644   5.033
  184    HB2  SER  30           2HB      SER  30  -1.796   7.606   4.323
  185    HB3  SER  30           1HB      SER  30  -2.215   6.019   3.683
  186    HG   SER  30           HG       SER  30  -4.025   6.092   4.766
  187    H    THR  31           H        THR  31  -1.945   6.001   8.014
  188    HA   THR  31           HA       THR  31  -0.993   8.695   8.643
  189    HB   THR  31           HB       THR  31  -2.151   6.427  10.323
  190    HG1  THR  31           HG1      THR  31  -3.564   7.288   8.738
  191   HG21  THR  31          3HG2      THR  31  -1.490   9.300  10.951
  192   HG22  THR  31          1HG2      THR  31  -1.057   7.851  11.860
  193   HG23  THR  31          2HG2      THR  31  -2.727   8.418  11.848
  194    H    ASN  32           H        ASN  32   1.294   8.403   8.177
  195    HA   ASN  32           HA       ASN  32   2.762   6.893  10.320
  196    HB2  ASN  32           2HB      ASN  32   2.828   6.761   7.412
  197    HB3  ASN  32           1HB      ASN  32   4.421   7.147   8.064
  198   HD21  ASN  32          1HD2      ASN  32   1.708   4.938   9.039
  199   HD22  ASN  32          2HD2      ASN  32   2.725   3.612   9.329
  200    H    TRP  33           H        TRP  33   5.244   7.846  10.188
  201    HA   TRP  33           HA       TRP  33   5.066  10.810   9.948
  202    HB2  TRP  33           2HB      TRP  33   6.446  10.708  12.229
  203    HB3  TRP  33           1HB      TRP  33   4.691  10.706  12.223
  204    HD1  TRP  33           HD1      TRP  33   3.730   7.932  11.976
  205    HE1  TRP  33           HE1      TRP  33   4.456   5.994  13.510
  206    HE3  TRP  33           HE3      TRP  33   8.101   9.857  13.811
  207    HZ2  TRP  33           HZ2      TRP  33   6.576   5.335  15.285
  208    HZ3  TRP  33           HZ3      TRP  33   9.473   8.547  15.439
  209    HH2  TRP  33           HH2      TRP  33   8.706   6.275  16.183
  210    H    ILE  34           H        ILE  34   7.610   8.603  11.211
  211    HA   ILE  34           HA       ILE  34   9.477   9.896   9.267
  212    HB   ILE  34           HB       ILE  34  11.212   9.143  10.836
  213   HG12  ILE  34          2HG1      ILE  34   9.893   8.204  13.084
  214   HG13  ILE  34          1HG1      ILE  34   9.031   7.403  11.773
  215   HG21  ILE  34          1HG2      ILE  34   8.811  10.527  12.022
  216   HG22  ILE  34          2HG2      ILE  34  10.321  11.239  11.454
  217   HG23  ILE  34          3HG2      ILE  34  10.296  10.294  12.943
  218   HD11  ILE  34          3HD1      ILE  34  11.682   7.162  11.004
  219   HD12  ILE  34          1HD1      ILE  34  10.722   5.904  11.785
  220   HD13  ILE  34          2HD1      ILE  34  11.758   6.953  12.753
  221    H    LEU  35           H        LEU  35   7.594   7.245   9.155
  222    HA   LEU  35           HA       LEU  35   9.686   5.315   8.283
  223    HB2  LEU  35           2HB      LEU  35   6.772   5.259   9.023
  224    HB3  LEU  35           1HB      LEU  35   7.441   3.936   8.066
  225    HG   LEU  35           HG       LEU  35   9.256   4.543  10.223
  226   HD11  LEU  35          1HD1      LEU  35   7.591   3.693  12.019
  227   HD12  LEU  35          2HD1      LEU  35   6.336   4.258  10.916
  228   HD13  LEU  35          3HD1      LEU  35   7.518   5.395  11.570
  229   HD21  LEU  35          3HD2      LEU  35   7.467   2.182   9.558
  230   HD22  LEU  35          1HD2      LEU  35   8.743   2.141  10.775
  231   HD23  LEU  35          2HD2      LEU  35   9.150   2.391   9.077
  232    HA   PRO  36           HA       PRO  36   8.586   6.820   4.153
  233    HB2  PRO  36           2HB      PRO  36  10.914   6.032   2.961
  234    HB3  PRO  36           1HB      PRO  36  10.775   7.533   3.897
  235    HG2  PRO  36           2HG      PRO  36  12.039   4.964   4.622
  236    HG3  PRO  36           1HG      PRO  36  12.432   6.606   5.146
  237    HD2  PRO  36           2HD      PRO  36  11.013   4.687   6.617
  238    HD3  PRO  36           1HD      PRO  36  11.124   6.420   6.985
  239    H    GLY  37           H        GLY  37   8.261   5.627   2.061
  240    HA2  GLY  37           2HA      GLY  37   8.856   2.983   1.464
  241    HA3  GLY  37           1HA      GLY  37   7.460   2.858   2.532
  242    H    CYS  38           H        CYS  38   5.940   5.053   1.720
  243    HA   CYS  38           HA       CYS  38   5.161   4.152  -1.020
  244    HB2  CYS  38           2HB      CYS  38   3.577   5.871   0.902
  245    HB3  CYS  38           1HB      CYS  38   2.968   4.859  -0.407
  246    H    SER  39           H        SER  39   6.146   5.453  -2.559
  247    HA   SER  39           HA       SER  39   5.906   8.426  -2.212
  248    HB2  SER  39           2HB      SER  39   8.098   8.228  -3.737
  249    HB3  SER  39           1HB      SER  39   8.199   8.112  -1.983
  250    HG   SER  39           HG       SER  39   8.205   6.047  -3.926
  251    H    THR  40           H        THR  40   3.800   7.688  -3.439
  252    HA   THR  40           HA       THR  40   4.232   7.072  -6.305
  253    HB   THR  40           HB       THR  40   1.595   7.233  -6.086
  254    HG1  THR  40           HG1      THR  40   1.495   8.141  -4.068
  255   HG21  THR  40          3HG2      THR  40   1.684   4.899  -4.970
  256   HG22  THR  40          1HG2      THR  40   3.433   5.127  -4.955
  257   HG23  THR  40          2HG2      THR  40   2.557   5.116  -6.487
  258    H    SER  41           H        SER  41   4.224   8.621  -7.858
  259    HA   SER  41           HA       SER  41   2.787  11.195  -7.424
  260    HB2  SER  41           2HB      SER  41   5.669  10.739  -7.356
  261    HB3  SER  41           1HB      SER  41   5.236  11.859  -8.645
  262    HG   SER  41           HG       SER  41   4.405  12.033  -5.924
  263    H    SER  42           H        SER  42   1.903  11.948  -9.365
  264    HA   SER  42           HA       SER  42   1.947  10.157 -11.676
  265    HB2  SER  42           2HB      SER  42   0.712  12.868 -11.097
  266    HB3  SER  42           1HB      SER  42   0.433  11.981 -12.591
  267    HG   SER  42           HG       SER  42   0.059  10.561 -10.219
  268    H    PHE  43           H        PHE  43   3.275  10.342 -13.448
  269    HA   PHE  43           HA       PHE  43   5.388  12.335 -13.548
  270    HB2  PHE  43           2HB      PHE  43   4.358  10.179 -15.410
  271    HB3  PHE  43           1HB      PHE  43   5.715  11.216 -15.850
  272    HD1  PHE  43           HD1      PHE  43   7.648  11.412 -14.070
  273    HD2  PHE  43           HD2      PHE  43   4.766   8.224 -14.172
  274    HE1  PHE  43           HE1      PHE  43   9.177   9.982 -12.739
  275    HE2  PHE  43           HE2      PHE  43   6.297   6.798 -12.843
  276    HZ   PHE  43           HZ       PHE  43   8.504   7.676 -12.128
  277    H    PHE  44           H        PHE  44   2.189  12.077 -14.885
  278    HA   PHE  44           HA       PHE  44   2.454  14.811 -16.021
  279    HB2  PHE  44           2HB      PHE  44   2.364  12.312 -17.488
  280    HB3  PHE  44           1HB      PHE  44   0.932  13.267 -17.863
  281    HD1  PHE  44           HD1      PHE  44   1.869  16.030 -17.706
  282    HD2  PHE  44           HD2      PHE  44   3.868  12.561 -19.272
  283    HE1  PHE  44           HE1      PHE  44   3.247  17.482 -19.168
  284    HE2  PHE  44           HE2      PHE  44   5.244  14.018 -20.734
  285    HZ   PHE  44           HZ       PHE  44   4.935  16.478 -20.679
  286    H    LYS  45           H        LYS  45  -0.084  14.960 -17.155
  287    HA   LYS  45           HA       LYS  45  -1.813  14.922 -14.766
  288    HB2  LYS  45           2HB      LYS  45  -3.177  16.387 -16.035
  289    HB3  LYS  45           1HB      LYS  45  -1.545  16.772 -16.575
  290    HG2  LYS  45           2HG      LYS  45  -2.158  14.789 -18.326
  291    HG3  LYS  45           1HG      LYS  45  -3.769  15.455 -18.041
  292    HD2  LYS  45           2HD      LYS  45  -3.226  17.525 -18.924
  293    HD3  LYS  45           1HD      LYS  45  -1.515  17.363 -18.523
  294    HE2  LYS  45           2HE      LYS  45  -1.247  15.670 -20.316
  295    HE3  LYS  45           1HE      LYS  45  -2.963  15.840 -20.727
  296    HZ1  LYS  45           3HZ      LYS  45  -2.615  18.177 -21.193
  297    HZ2  LYS  45           1HZ      LYS  45  -1.533  17.259 -22.116
  298    HZ3  LYS  45           2HZ      LYS  45  -0.982  18.074 -20.736
  299    H    ILE  46           H        ILE  46  -4.316  14.514 -16.051
  300    HA   ILE  46           HA       ILE  46  -4.365  11.572 -16.229
  301    HB   ILE  46           HB       ILE  46  -6.527  13.709 -16.376
  302   HG12  ILE  46          2HG1      ILE  46  -5.281  13.672 -14.226
  303   HG13  ILE  46          1HG1      ILE  46  -6.940  13.117 -14.012
  304   HG21  ILE  46          1HG2      ILE  46  -7.896  12.014 -16.965
  305   HG22  ILE  46          2HG2      ILE  46  -7.565  11.275 -15.398
  306   HG23  ILE  46          3HG2      ILE  46  -6.590  10.841 -16.801
  307   HD11  ILE  46          3HD1      ILE  46  -4.387  11.554 -13.910
  308   HD12  ILE  46          1HD1      ILE  46  -5.844  10.740 -14.478
  309   HD13  ILE  46          2HD1      ILE  46  -5.804  11.452 -12.865
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1 -17.597   2.880   2.926
    2    H2   GLY   1           2H       GLY   1 -18.726   3.003   1.670
    3    H3   GLY   1           3H       GLY   1 -17.935   4.392   2.243
    4    HA2  GLY   1           2HA      GLY   1 -16.516   4.107   0.565
    5    HA3  GLY   1           1HA      GLY   1 -15.856   2.809   1.556
    6    HA   HYP   2           HA       HYP   2 -18.631   1.119  -2.025
    7    HB2  HYP   2           1HB      HYP   2 -17.838   2.191  -4.407
    8    HB3  HYP   2           2HB      HYP   2 -19.159   2.868  -3.435
    9    HG   HYP   2           HG       HYP   2 -16.330   3.750  -3.671
   10   HD22  HYP   2          1HD       HYP   2 -17.824   4.623  -1.269
   11   HD23  HYP   2          2HD       HYP   2 -16.094   4.281  -1.478
   12    HD1  HYP   2           HOD      HYP   2 -17.870   5.048  -4.679
   13    H    SER   3           H        SER   3 -15.268   2.175  -2.682
   14    HA   SER   3           HA       SER   3 -14.568  -0.267  -4.101
   15    HB2  SER   3           2HB      SER   3 -12.218   0.968  -3.311
   16    HB3  SER   3           1HB      SER   3 -13.115   1.345  -4.778
   17    HG   SER   3           HG       SER   3 -12.860   3.252  -3.664
   18    H    PHE   4           H        PHE   4 -14.012  -2.182  -3.163
   19    HA   PHE   4           HA       PHE   4 -13.584  -2.345  -0.240
   20    HB2  PHE   4           2HB      PHE   4 -14.284  -4.120  -2.509
   21    HB3  PHE   4           1HB      PHE   4 -13.303  -4.877  -1.257
   22    HD1  PHE   4           HD1      PHE   4 -14.085  -4.720   1.177
   23    HD2  PHE   4           HD2      PHE   4 -16.600  -3.719  -2.163
   24    HE1  PHE   4           HE1      PHE   4 -16.092  -4.948   2.616
   25    HE2  PHE   4           HE2      PHE   4 -18.604  -3.946  -0.722
   26    HZ   PHE   4           HZ       PHE   4 -18.351  -4.562   1.666
   27    H    CYS   5           H        CYS   5 -11.462  -1.421   0.019
   28    HA   CYS   5           HA       CYS   5  -9.218  -2.538  -1.564
   29    HB2  CYS   5           2HB      CYS   5  -7.965  -0.747  -0.528
   30    HB3  CYS   5           1HB      CYS   5  -9.536  -0.090  -0.981
   31    H    LYS   6           H        LYS   6  -7.179  -3.105  -0.213
   32    HA   LYS   6           HA       LYS   6  -7.879  -5.223   1.683
   33    HB2  LYS   6           2HB      LYS   6  -5.950  -4.911  -0.163
   34    HB3  LYS   6           1HB      LYS   6  -5.079  -4.252   1.218
   35    HG2  LYS   6           2HG      LYS   6  -4.525  -6.498   1.414
   36    HG3  LYS   6           1HG      LYS   6  -5.972  -6.438   2.418
   37    HD2  LYS   6           2HD      LYS   6  -6.857  -8.040   1.096
   38    HD3  LYS   6           1HD      LYS   6  -6.932  -6.837  -0.191
   39    HE2  LYS   6           2HE      LYS   6  -4.252  -7.650  -0.213
   40    HE3  LYS   6           1HE      LYS   6  -5.158  -9.152   0.057
   41    HZ1  LYS   6           3HZ      LYS   6  -4.918  -8.443  -2.336
   42    HZ2  LYS   6           1HZ      LYS   6  -5.940  -7.134  -1.984
   43    HZ3  LYS   6           2HZ      LYS   6  -6.510  -8.735  -1.824
   44    H    ALA   7           H        ALA   7  -7.507  -5.139   3.904
   45    HA   ALA   7           HA       ALA   7  -7.216  -2.454   5.114
   46    HB1  ALA   7           3HB      ALA   7  -8.868  -4.512   5.611
   47    HB2  ALA   7           1HB      ALA   7  -8.367  -3.398   6.884
   48    HB3  ALA   7           2HB      ALA   7  -7.561  -4.956   6.707
   49    H    ASP   8           H        ASP   8  -5.951  -2.604   7.343
   50    HA   ASP   8           HA       ASP   8  -3.172  -2.842   6.799
   51    HB2  ASP   8           2HB      ASP   8  -4.693  -2.949   9.430
   52    HB3  ASP   8           1HB      ASP   8  -2.973  -2.610   9.271
   53    H    GLU   9           H        GLU   9  -1.677  -4.346   8.085
   54    HA   GLU   9           HA       GLU   9  -0.959  -6.485   8.798
   55    HB2  GLU   9           2HB      GLU   9  -3.430  -6.299   9.777
   56    HB3  GLU   9           1HB      GLU   9  -3.742  -7.555   8.582
   57    HG2  GLU   9           2HG      GLU   9  -1.668  -8.743   9.564
   58    HG3  GLU   9           1HG      GLU   9  -1.836  -7.627  10.920
   59    H    LYS  10           H        LYS  10  -3.614  -6.877   6.422
   60    HA   LYS  10           HA       LYS  10  -2.168  -9.048   5.060
   61    HB2  LYS  10           2HB      LYS  10  -4.204  -8.720   3.432
   62    HB3  LYS  10           1HB      LYS  10  -4.486  -9.371   5.040
   63    HG2  LYS  10           2HG      LYS  10  -4.611  -6.420   4.850
   64    HG3  LYS  10           1HG      LYS  10  -5.871  -7.277   3.970
   65    HD2  LYS  10           2HD      LYS  10  -5.249  -8.134   6.778
   66    HD3  LYS  10           1HD      LYS  10  -6.202  -6.672   6.531
   67    HE2  LYS  10           2HE      LYS  10  -8.034  -7.968   6.210
   68    HE3  LYS  10           1HE      LYS  10  -7.261  -8.665   4.774
   69    HZ1  LYS  10           3HZ      LYS  10  -6.176 -10.294   6.093
   70    HZ2  LYS  10           1HZ      LYS  10  -7.798 -10.301   6.586
   71    HZ3  LYS  10           2HZ      LYS  10  -6.622  -9.535   7.542
   72    HA   HYP  11           HA       HYP  11  -0.033  -5.870   2.703
   73    HB2  HYP  11           1HB      HYP  11   1.934  -7.517   1.760
   74    HB3  HYP  11           2HB      HYP  11   1.952  -6.795   3.377
   75    HG   HYP  11           HG       HYP  11   2.067  -8.941   4.037
   76   HD22  HYP  11          1HD       HYP  11   0.131  -8.647   5.118
   77   HD23  HYP  11          2HD       HYP  11  -0.567  -9.734   3.905
   78    HD1  HYP  11           HOD      HYP  11   0.474  -9.843   1.845
   79    H    CYS  12           H        CYS  12   1.121  -6.261   0.316
   80    HA   CYS  12           HA       CYS  12  -0.646  -7.875  -1.441
   81    HB2  CYS  12           2HB      CYS  12  -1.547  -5.994  -2.576
   82    HB3  CYS  12           1HB      CYS  12  -1.644  -5.556  -0.871
   83    H    GLU  13           H        GLU  13   0.081  -7.054  -3.899
   84    HA   GLU  13           HA       GLU  13   2.982  -7.628  -4.015
   85    HB2  GLU  13           2HB      GLU  13   0.672  -8.230  -5.522
   86    HB3  GLU  13           1HB      GLU  13   1.628  -7.163  -6.550
   87    HG2  GLU  13           2HG      GLU  13   3.477  -8.620  -6.563
   88    HG3  GLU  13           1HG      GLU  13   2.935  -9.470  -5.115
   89    H    TYR  14           H        TYR  14   0.745  -5.107  -5.262
   90    HA   TYR  14           HA       TYR  14   3.067  -3.378  -5.952
   91    HB2  TYR  14           2HB      TYR  14   0.080  -2.937  -6.312
   92    HB3  TYR  14           1HB      TYR  14   1.373  -2.067  -7.130
   93    HD1  TYR  14           HD2      TYR  14   3.015  -3.505  -8.568
   94    HD2  TYR  14           HD1      TYR  14  -0.867  -4.828  -7.303
   95    HE1  TYR  14           HE2      TYR  14   3.009  -5.200 -10.379
   96    HE2  TYR  14           HE1      TYR  14  -0.883  -6.524  -9.119
   97    HH   TYR  14           HH       TYR  14   0.240  -6.792 -11.387
   98    H    HIS  15           H        HIS  15   1.118  -1.017  -5.452
   99    HA   HIS  15           HA       HIS  15   1.283  -0.953  -2.461
  100    HB2  HIS  15           2HB      HIS  15   2.719   0.595  -4.471
  101    HB3  HIS  15           1HB      HIS  15   1.802   1.646  -3.393
  102    HD1  HIS  15           HD1      HIS  15   4.514   2.159  -2.752
  103    HD2  HIS  15           HD2      HIS  15   2.775  -1.363  -1.332
  104    HE1  HIS  15           HE1      HIS  15   5.947   1.380  -0.811
  105    H    ALA  16           H        ALA  16  -0.981  -1.282  -4.525
  106    HA   ALA  16           HA       ALA  16  -2.640   1.041  -3.593
  107    HB1  ALA  16           3HB      ALA  16  -1.902   0.966  -6.045
  108    HB2  ALA  16           1HB      ALA  16  -3.638   1.101  -5.765
  109    HB3  ALA  16           2HB      ALA  16  -2.935  -0.454  -6.207
  110    H    ASP  17           H        ASP  17  -2.256  -2.273  -3.334
  111    HA   ASP  17           HA       ASP  17  -4.939  -3.290  -3.567
  112    HB2  ASP  17           2HB      ASP  17  -2.567  -4.407  -3.311
  113    HB3  ASP  17           1HB      ASP  17  -2.882  -4.250  -1.586
  114    H    CYS  18           H        CYS  18  -3.083  -1.934  -0.855
  115    HA   CYS  18           HA       CYS  18  -5.371  -2.135   1.009
  116    HB2  CYS  18           2HB      CYS  18  -2.474  -1.413   1.063
  117    HB3  CYS  18           1HB      CYS  18  -3.500  -0.747   2.331
  118    H    CYS  19           H        CYS  19  -6.385  -0.233   1.927
  119    HA   CYS  19           HA       CYS  19  -6.879   1.945   0.146
  120    HB2  CYS  19           2HB      CYS  19  -7.374   1.261   2.991
  121    HB3  CYS  19           1HB      CYS  19  -7.488   2.971   2.580
  122    H    ASN  20           H        ASN  20  -4.068   1.343   2.032
  123    HA   ASN  20           HA       ASN  20  -3.168   4.154   1.559
  124    HB2  ASN  20           2HB      ASN  20  -2.079   2.821   3.972
  125    HB3  ASN  20           1HB      ASN  20  -2.605   4.482   3.749
  126   HD21  ASN  20          1HD2      ASN  20  -5.213   4.538   3.374
  127   HD22  ASN  20          2HD2      ASN  20  -6.074   3.616   4.502
  128    H    CYS  21           H        CYS  21  -1.664   1.222   3.001
  129    HA   CYS  21           HA       CYS  21   0.188   1.035   0.660
  130    HB2  CYS  21           2HB      CYS  21   0.807   1.954   3.438
  131    HB3  CYS  21           1HB      CYS  21   2.002   0.929   2.646
  132    H    CYS  22           H        CYS  22   1.165  -1.063   0.474
  133    HA   CYS  22           HA       CYS  22   0.700  -3.020   2.644
  134    HB2  CYS  22           2HB      CYS  22  -0.280  -4.589   0.825
  135    HB3  CYS  22           1HB      CYS  22  -1.326  -3.329   1.468
  136    H    LEU  23           H        LEU  23   3.053  -2.973   2.735
  137    HA   LEU  23           HA       LEU  23   4.610  -3.732   0.361
  138    HB2  LEU  23           2HB      LEU  23   5.099  -3.203   3.286
  139    HB3  LEU  23           1HB      LEU  23   6.362  -3.969   2.323
  140    HG   LEU  23           HG       LEU  23   5.016  -1.468   1.318
  141   HD11  LEU  23          1HD1      LEU  23   7.142  -0.355   2.380
  142   HD12  LEU  23          2HD1      LEU  23   7.088  -1.730   3.483
  143   HD13  LEU  23          3HD1      LEU  23   5.717  -0.625   3.384
  144   HD21  LEU  23          3HD2      LEU  23   7.351  -1.206   0.334
  145   HD22  LEU  23          1HD2      LEU  23   6.435  -2.590  -0.266
  146   HD23  LEU  23          2HD2      LEU  23   7.699  -2.825   0.942
  147    H    SER  24           H        SER  24   5.890  -5.749   0.283
  148    HA   SER  24           HA       SER  24   4.484  -8.127   0.505
  149    HB2  SER  24           2HB      SER  24   7.209  -8.705   1.081
  150    HB3  SER  24           1HB      SER  24   6.419  -8.733  -0.494
  151    HG   SER  24           HG       SER  24   8.310  -7.238  -0.112
  152    H    GLY  25           H        GLY  25   6.335  -6.535   3.057
  153    HA2  GLY  25           2HA      GLY  25   6.273  -8.688   4.945
  154    HA3  GLY  25           1HA      GLY  25   6.477  -6.986   5.356
  155    H    ILE  26           H        ILE  26   4.151  -5.783   4.709
  156    HA   ILE  26           HA       ILE  26   1.753  -7.269   5.344
  157    HB   ILE  26           HB       ILE  26   3.540  -6.464   7.487
  158   HG12  ILE  26          2HG1      ILE  26   0.924  -7.681   8.127
  159   HG13  ILE  26          1HG1      ILE  26   1.878  -8.553   6.927
  160   HG21  ILE  26          1HG2      ILE  26   2.127  -4.421   7.563
  161   HG22  ILE  26          2HG2      ILE  26   1.920  -5.429   8.995
  162   HG23  ILE  26          3HG2      ILE  26   0.695  -5.438   7.727
  163   HD11  ILE  26          3HD1      ILE  26   2.239  -9.059   9.475
  164   HD12  ILE  26          1HD1      ILE  26   3.196  -7.578   9.443
  165   HD13  ILE  26          2HD1      ILE  26   3.637  -8.936   8.408
  166    H    CYS  27           H        CYS  27  -0.133  -5.752   5.713
  167    HA   CYS  27           HA       CYS  27   0.058  -3.369   4.026
  168    HB2  CYS  27           2HB      CYS  27  -1.917  -4.865   4.199
  169    HB3  CYS  27           1HB      CYS  27  -2.137  -4.357   5.864
  170    H    ALA  28           H        ALA  28  -0.097  -1.185   4.706
  171    HA   ALA  28           HA       ALA  28  -0.043  -0.637   7.643
  172    HB1  ALA  28           3HB      ALA  28   1.913   0.818   5.931
  173    HB2  ALA  28           1HB      ALA  28   2.258  -0.885   6.228
  174    HB3  ALA  28           2HB      ALA  28   2.092   0.230   7.584
  175    HA   HYP  29           HA       HYP  29  -2.520   2.852   6.613
  176    HB2  HYP  29           1HB      HYP  29  -1.584   4.750   8.362
  177    HB3  HYP  29           2HB      HYP  29  -2.592   3.375   8.864
  178    HG   HYP  29           HG       HYP  29   0.371   3.686   8.966
  179   HD22  HYP  29          1HD       HYP  29  -0.896   0.991   9.158
  180   HD23  HYP  29          2HD       HYP  29   0.745   1.443   8.649
  181    HD1  HYP  29           HOD      HYP  29  -0.134   2.497  11.014
  182    H    SER  30           H        SER  30  -2.381   5.223   5.922
  183    HA   SER  30           HA       SER  30  -0.309   5.580   3.916
  184    HB2  SER  30           2HB      SER  30  -1.879   7.944   4.652
  185    HB3  SER  30           1HB      SER  30  -1.833   7.070   3.124
  186    HG   SER  30           HG       SER  30  -3.889   6.973   4.189
  187    H    THR  31           H        THR  31  -0.410   6.297   7.276
  188    HA   THR  31           HA       THR  31   1.244   8.702   7.202
  189    HB   THR  31           HB       THR  31   0.836   6.777   9.513
  190    HG1  THR  31           HG1      THR  31  -1.149   7.671   9.827
  191   HG21  THR  31          3HG2      THR  31   2.270   8.516  10.163
  192   HG22  THR  31          1HG2      THR  31   0.684   9.105  10.673
  193   HG23  THR  31          2HG2      THR  31   1.417   9.713   9.190
  194    H    ASN  32           H        ASN  32   2.771   7.470   5.623
  195    HA   ASN  32           HA       ASN  32   4.797   5.868   7.156
  196    HB2  ASN  32           2HB      ASN  32   3.484   5.678   4.541
  197    HB3  ASN  32           1HB      ASN  32   5.238   5.560   4.420
  198   HD21  ASN  32          1HD2      ASN  32   2.967   4.380   6.980
  199   HD22  ASN  32          2HD2      ASN  32   3.494   2.773   6.891
  200    H    TRP  33           H        TRP  33   5.181   8.439   7.647
  201    HA   TRP  33           HA       TRP  33   6.722   9.805   5.575
  202    HB2  TRP  33           2HB      TRP  33   7.138  11.422   7.579
  203    HB3  TRP  33           1HB      TRP  33   5.517  11.279   6.926
  204    HD1  TRP  33           HD1      TRP  33   6.896   8.547   9.206
  205    HE1  TRP  33           HE1      TRP  33   5.582   8.577  11.427
  206    HE3  TRP  33           HE3      TRP  33   4.156  12.805   8.546
  207    HZ2  TRP  33           HZ2      TRP  33   3.626  10.199  12.745
  208    HZ3  TRP  33           HZ3      TRP  33   2.577  13.569  10.297
  209    HH2  TRP  33           HH2      TRP  33   2.309  12.273  12.394
  210    H    ILE  34           H        ILE  34   8.224  10.087   8.679
  211    HA   ILE  34           HA       ILE  34  10.814   9.476   7.750
  212    HB   ILE  34           HB       ILE  34  11.357   9.373  10.191
  213   HG12  ILE  34          2HG1      ILE  34   8.409   9.804  10.693
  214   HG13  ILE  34          1HG1      ILE  34   9.104   8.183  10.693
  215   HG21  ILE  34          1HG2      ILE  34  11.233  11.623  10.240
  216   HG22  ILE  34          2HG2      ILE  34   9.470  11.597  10.227
  217   HG23  ILE  34          3HG2      ILE  34  10.364  11.516   8.709
  218   HD11  ILE  34          3HD1      ILE  34   8.998   9.352  12.963
  219   HD12  ILE  34          1HD1      ILE  34  10.249  10.435  12.353
  220   HD13  ILE  34          2HD1      ILE  34  10.573   8.707  12.499
  221    H    LEU  35           H        LEU  35   8.325   7.219   8.477
  222    HA   LEU  35           HA       LEU  35  10.141   5.022   9.213
  223    HB2  LEU  35           2HB      LEU  35   7.170   5.259   8.648
  224    HB3  LEU  35           1HB      LEU  35   7.944   3.750   9.131
  225    HG   LEU  35           HG       LEU  35   8.697   5.979  10.870
  226   HD11  LEU  35          1HD1      LEU  35   5.797   5.112  10.952
  227   HD12  LEU  35          2HD1      LEU  35   6.325   6.612  10.189
  228   HD13  LEU  35          3HD1      LEU  35   6.577   6.365  11.916
  229   HD21  LEU  35          3HD2      LEU  35   7.172   3.516  11.679
  230   HD22  LEU  35          1HD2      LEU  35   8.467   4.353  12.536
  231   HD23  LEU  35          2HD2      LEU  35   8.838   3.367  11.122
  232    HA   PRO  36           HA       PRO  36  10.885   3.912   4.990
  233    HB2  PRO  36           2HB      PRO  36  11.823   1.372   5.416
  234    HB3  PRO  36           1HB      PRO  36  12.786   2.832   5.720
  235    HG2  PRO  36           2HG      PRO  36  11.276   1.128   7.645
  236    HG3  PRO  36           1HG      PRO  36  12.870   1.883   7.820
  237    HD2  PRO  36           2HD      PRO  36  10.626   2.907   8.946
  238    HD3  PRO  36           1HD      PRO  36  11.984   3.924   8.410
  239    H    GLY  37           H        GLY  37   9.143   3.488   3.706
  240    HA2  GLY  37           2HA      GLY  37   7.938   0.882   3.573
  241    HA3  GLY  37           1HA      GLY  37   6.848   2.000   4.391
  242    H    CYS  38           H        CYS  38   6.290   4.019   3.177
  243    HA   CYS  38           HA       CYS  38   6.225   3.461   0.228
  244    HB2  CYS  38           2HB      CYS  38   4.311   4.868   2.106
  245    HB3  CYS  38           1HB      CYS  38   4.116   4.852   0.353
  246    H    SER  39           H        SER  39   7.491   5.681   2.548
  247    HA   SER  39           HA       SER  39   7.406   8.027   0.772
  248    HB2  SER  39           2HB      SER  39   7.367   7.908   3.356
  249    HB3  SER  39           1HB      SER  39   9.103   7.650   3.248
  250    HG   SER  39           HG       SER  39   9.354   9.635   2.387
  251    H    THR  40           H        THR  40   8.542   6.818  -1.052
  252    HA   THR  40           HA       THR  40  11.333   6.035  -0.748
  253    HB   THR  40           HB       THR  40  11.133   6.081  -3.320
  254    HG1  THR  40           HG1      THR  40   9.015   6.398  -4.069
  255   HG21  THR  40          3HG2      THR  40   8.815   4.526  -2.309
  256   HG22  THR  40          1HG2      THR  40  10.353   4.229  -1.500
  257   HG23  THR  40          2HG2      THR  40  10.212   3.980  -3.241
  258    H    SER  41           H        SER  41   9.667   9.019  -1.607
  259    HA   SER  41           HA       SER  41  12.323  10.353  -2.025
  260    HB2  SER  41           2HB      SER  41  10.605  12.058  -3.165
  261    HB3  SER  41           1HB      SER  41  11.188  10.645  -4.037
  262    HG   SER  41           HG       SER  41   9.277   9.723  -3.856
  263    H    SER  42           H        SER  42  12.753  12.226  -0.809
  264    HA   SER  42           HA       SER  42  10.757  12.871   1.327
  265    HB2  SER  42           2HB      SER  42  13.057  13.879   2.259
  266    HB3  SER  42           1HB      SER  42  12.664  12.172   2.439
  267    HG   SER  42           HG       SER  42  14.724  12.369   1.562
  268    H    PHE  43           H        PHE  43  10.337  15.105   1.776
  269    HA   PHE  43           HA       PHE  43  10.785  16.920  -0.523
  270    HB2  PHE  43           2HB      PHE  43   8.569  16.576   0.657
  271    HB3  PHE  43           1HB      PHE  43   9.270  17.352   2.077
  272    HD1  PHE  43           HD1      PHE  43   9.697  18.173  -1.559
  273    HD2  PHE  43           HD2      PHE  43   8.184  19.426   2.264
  274    HE1  PHE  43           HE1      PHE  43   9.164  20.405  -2.500
  275    HE2  PHE  43           HE2      PHE  43   7.651  21.658   1.320
  276    HZ   PHE  43           HZ       PHE  43   8.143  22.148  -1.060
  277    H    PHE  44           H        PHE  44  13.207  16.943   0.039
  278    HA   PHE  44           HA       PHE  44  13.729  19.104   2.049
  279    HB2  PHE  44           2HB      PHE  44  14.524  16.359   2.082
  280    HB3  PHE  44           1HB      PHE  44  15.970  17.324   1.791
  281    HD1  PHE  44           HD2      PHE  44  15.642  19.757   3.241
  282    HD2  PHE  44           HD1      PHE  44  14.357  15.808   4.349
  283    HE1  PHE  44           HE2      PHE  44  15.693  20.414   5.631
  284    HE2  PHE  44           HE1      PHE  44  14.407  16.465   6.740
  285    HZ   PHE  44           HZ       PHE  44  15.073  18.769   7.385
  286    H    LYS  45           H        LYS  45  14.098  20.767   0.567
  287    HA   LYS  45           HA       LYS  45  16.275  20.320  -1.456
  288    HB2  LYS  45           2HB      LYS  45  13.991  20.569  -2.406
  289    HB3  LYS  45           1HB      LYS  45  13.819  22.109  -1.562
  290    HG2  LYS  45           2HG      LYS  45  15.928  22.863  -2.810
  291    HG3  LYS  45           1HG      LYS  45  15.721  21.429  -3.816
  292    HD2  LYS  45           2HD      LYS  45  14.509  22.954  -5.064
  293    HD3  LYS  45           1HD      LYS  45  13.233  22.356  -4.009
  294    HE2  LYS  45           2HE      LYS  45  13.071  24.753  -3.918
  295    HE3  LYS  45           1HE      LYS  45  13.878  24.279  -2.410
  296    HZ1  LYS  45           3HZ      LYS  45  14.906  26.066  -4.093
  297    HZ2  LYS  45           1HZ      LYS  45  15.608  24.658  -4.727
  298    HZ3  LYS  45           2HZ      LYS  45  15.870  25.087  -3.090
  299    H    ILE  46           H        ILE  46  17.599  22.261  -1.852
  300    HA   ILE  46           HA       ILE  46  18.139  23.780   0.597
  301    HB   ILE  46           HB       ILE  46  19.293  23.975  -2.212
  302   HG12  ILE  46          2HG1      ILE  46  19.467  21.691  -1.137
  303   HG13  ILE  46          1HG1      ILE  46  21.025  22.449  -1.452
  304   HG21  ILE  46          1HG2      ILE  46  19.871  25.935  -0.941
  305   HG22  ILE  46          2HG2      ILE  46  21.286  24.880  -0.944
  306   HG23  ILE  46          3HG2      ILE  46  20.254  24.965   0.482
  307   HD11  ILE  46          3HD1      ILE  46  21.182  23.182   0.870
  308   HD12  ILE  46          1HD1      ILE  46  20.912  21.440   0.819
  309   HD13  ILE  46          2HD1      ILE  46  19.580  22.526   1.212
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1 -14.027   7.488 -10.590
    2    H2   GLY   1           2H       GLY   1 -13.293   7.654  -9.067
    3    H3   GLY   1           3H       GLY   1 -14.907   8.134  -9.291
    4    HA2  GLY   1           2HA      GLY   1 -15.691   6.100  -8.939
    5    HA3  GLY   1           1HA      GLY   1 -14.486   5.402 -10.024
    6    HA   HYP   2           HA       HYP   2 -13.308   5.173  -5.363
    7    HB2  HYP   2           1HB      HYP   2 -14.826   3.095  -4.433
    8    HB3  HYP   2           2HB      HYP   2 -15.330   4.791  -4.306
    9    HG   HYP   2           HG       HYP   2 -16.116   2.725  -6.300
   10   HD22  HYP   2          1HD       HYP   2 -16.523   5.600  -6.949
   11   HD23  HYP   2          2HD       HYP   2 -16.264   4.210  -8.027
   12    HD1  HYP   2           HOD      HYP   2 -18.145   3.514  -5.839
   13    H    SER   3           H        SER   3 -12.843   2.683  -4.294
   14    HA   SER   3           HA       SER   3 -12.110   0.722  -6.338
   15    HB2  SER   3           2HB      SER   3  -9.886   2.162  -4.877
   16    HB3  SER   3           1HB      SER   3  -9.743   1.067  -6.250
   17    HG   SER   3           HG       SER   3 -10.000   3.680  -6.293
   18    H    PHE   4           H        PHE   4 -13.020  -0.892  -5.023
   19    HA   PHE   4           HA       PHE   4 -13.060  -1.226  -2.288
   20    HB2  PHE   4           2HB      PHE   4 -13.881  -2.717  -4.231
   21    HB3  PHE   4           1HB      PHE   4 -12.283  -3.460  -4.172
   22    HD1  PHE   4           HD2      PHE   4 -15.244  -2.629  -2.050
   23    HD2  PHE   4           HD1      PHE   4 -11.788  -5.124  -2.577
   24    HE1  PHE   4           HE2      PHE   4 -15.966  -4.034  -0.137
   25    HE2  PHE   4           HE1      PHE   4 -12.511  -6.529  -0.665
   26    HZ   PHE   4           HZ       PHE   4 -14.600  -5.983   0.555
   27    H    CYS   5           H        CYS   5 -11.302  -0.674  -0.997
   28    HA   CYS   5           HA       CYS   5  -8.585  -1.605  -1.746
   29    HB2  CYS   5           2HB      CYS   5  -7.943  -0.124   0.139
   30    HB3  CYS   5           1HB      CYS   5  -8.986   0.715  -1.010
   31    H    LYS   6           H        LYS   6  -7.314  -2.882  -0.249
   32    HA   LYS   6           HA       LYS   6  -8.880  -4.899   1.198
   33    HB2  LYS   6           2HB      LYS   6  -6.650  -4.979  -0.266
   34    HB3  LYS   6           1HB      LYS   6  -5.897  -4.685   1.300
   35    HG2  LYS   6           2HG      LYS   6  -6.000  -6.963   1.456
   36    HG3  LYS   6           1HG      LYS   6  -7.647  -6.629   1.993
   37    HD2  LYS   6           2HD      LYS   6  -8.511  -7.637   0.175
   38    HD3  LYS   6           1HD      LYS   6  -7.512  -6.658  -0.900
   39    HE2  LYS   6           2HE      LYS   6  -6.893  -8.973  -1.264
   40    HE3  LYS   6           1HE      LYS   6  -5.578  -8.237  -0.327
   41    HZ1  LYS   6           3HZ      LYS   6  -6.018  -9.998   1.020
   42    HZ2  LYS   6           1HZ      LYS   6  -7.639 -10.121   0.535
   43    HZ3  LYS   6           2HZ      LYS   6  -7.175  -8.922   1.644
   44    H    ALA   7           H        ALA   7  -7.399  -5.517   3.406
   45    HA   ALA   7           HA       ALA   7  -7.680  -3.069   5.108
   46    HB1  ALA   7           3HB      ALA   7  -8.379  -5.917   5.310
   47    HB2  ALA   7           1HB      ALA   7  -9.068  -4.534   6.159
   48    HB3  ALA   7           2HB      ALA   7  -7.592  -5.289   6.758
   49    H    ASP   8           H        ASP   8  -6.155  -3.098   7.056
   50    HA   ASP   8           HA       ASP   8  -3.422  -3.144   6.217
   51    HB2  ASP   8           2HB      ASP   8  -4.648  -3.238   8.991
   52    HB3  ASP   8           1HB      ASP   8  -3.014  -2.697   8.603
   53    H    GLU   9           H        GLU   9  -1.828  -4.431   7.854
   54    HA   GLU   9           HA       GLU   9  -1.005  -6.519   8.608
   55    HB2  GLU   9           2HB      GLU   9  -3.764  -7.636   8.142
   56    HB3  GLU   9           1HB      GLU   9  -2.595  -8.079   9.383
   57    HG2  GLU   9           2HG      GLU   9  -4.391  -5.670   9.256
   58    HG3  GLU   9           1HG      GLU   9  -4.131  -6.791  10.590
   59    H    LYS  10           H        LYS  10  -3.436  -6.987   6.035
   60    HA   LYS  10           HA       LYS  10  -1.843  -9.095   4.757
   61    HB2  LYS  10           2HB      LYS  10  -3.779  -9.067   3.189
   62    HB3  LYS  10           1HB      LYS  10  -4.303  -9.129   4.872
   63    HG2  LYS  10           2HG      LYS  10  -3.979  -6.388   4.175
   64    HG3  LYS  10           1HG      LYS  10  -4.926  -7.154   2.900
   65    HD2  LYS  10           2HD      LYS  10  -5.517  -7.337   5.869
   66    HD3  LYS  10           1HD      LYS  10  -6.385  -6.323   4.718
   67    HE2  LYS  10           2HE      LYS  10  -7.716  -8.073   4.182
   68    HE3  LYS  10           1HE      LYS  10  -6.290  -9.005   3.680
   69    HZ1  LYS  10           3HZ      LYS  10  -6.943  -8.616   6.536
   70    HZ2  LYS  10           1HZ      LYS  10  -5.949  -9.795   5.830
   71    HZ3  LYS  10           2HZ      LYS  10  -7.635  -9.888   5.649
   72    HA   HYP  11           HA       HYP  11   0.301  -5.783   2.540
   73    HB2  HYP  11           1HB      HYP  11   2.381  -7.359   1.737
   74    HB3  HYP  11           2HB      HYP  11   2.281  -6.639   3.355
   75    HG   HYP  11           HG       HYP  11   2.456  -8.805   3.985
   76   HD22  HYP  11          1HD       HYP  11   0.486  -8.442   5.027
   77   HD23  HYP  11          2HD       HYP  11  -0.147  -9.627   3.867
   78    HD1  HYP  11           HOD      HYP  11   1.068  -9.519   1.589
   79    H    CYS  12           H        CYS  12   1.379  -5.964   0.183
   80    HA   CYS  12           HA       CYS  12  -0.198  -7.826  -1.543
   81    HB2  CYS  12           2HB      CYS  12  -1.265  -6.094  -2.660
   82    HB3  CYS  12           1HB      CYS  12  -1.126  -5.362  -1.064
   83    H    GLU  13           H        GLU  13   0.579  -6.659  -3.985
   84    HA   GLU  13           HA       GLU  13   3.530  -7.164  -3.963
   85    HB2  GLU  13           2HB      GLU  13   1.376  -8.219  -5.423
   86    HB3  GLU  13           1HB      GLU  13   2.186  -7.130  -6.550
   87    HG2  GLU  13           2HG      GLU  13   4.260  -8.271  -6.329
   88    HG3  GLU  13           1HG      GLU  13   3.721  -9.134  -4.888
   89    H    TYR  14           H        TYR  14   0.990  -4.928  -4.961
   90    HA   TYR  14           HA       TYR  14   2.973  -3.096  -6.212
   91    HB2  TYR  14           2HB      TYR  14  -0.039  -2.852  -5.954
   92    HB3  TYR  14           1HB      TYR  14   1.005  -2.024  -7.111
   93    HD1  TYR  14           HD1      TYR  14   2.789  -4.128  -8.058
   94    HD2  TYR  14           HD2      TYR  14  -1.414  -4.301  -7.182
   95    HE1  TYR  14           HE1      TYR  14   2.537  -6.023  -9.637
   96    HE2  TYR  14           HE2      TYR  14  -1.665  -6.197  -8.760
   97    HH   TYR  14           HH       TYR  14  -0.386  -7.882  -9.825
   98    H    HIS  15           H        HIS  15   0.346  -1.372  -5.017
   99    HA   HIS  15           HA       HIS  15   1.369  -0.869  -2.308
  100    HB2  HIS  15           2HB      HIS  15   2.539   0.421  -4.502
  101    HB3  HIS  15           1HB      HIS  15   1.432   1.614  -3.825
  102    HD1  HIS  15           HD1      HIS  15   3.667   2.895  -3.061
  103    HD2  HIS  15           HD2      HIS  15   2.929  -0.738  -1.154
  104    HE1  HIS  15           HE1      HIS  15   5.132   2.861  -0.997
  105    H    ALA  16           H        ALA  16  -1.221  -1.347  -4.011
  106    HA   ALA  16           HA       ALA  16  -2.800   0.809  -2.656
  107    HB1  ALA  16           3HB      ALA  16  -2.992  -0.199  -5.510
  108    HB2  ALA  16           1HB      ALA  16  -2.505   1.415  -4.992
  109    HB3  ALA  16           2HB      ALA  16  -4.171   0.881  -4.765
  110    H    ASP  17           H        ASP  17  -2.269  -2.444  -2.902
  111    HA   ASP  17           HA       ASP  17  -4.724  -3.734  -3.245
  112    HB2  ASP  17           2HB      ASP  17  -2.482  -4.743  -2.786
  113    HB3  ASP  17           1HB      ASP  17  -2.643  -4.255  -1.099
  114    H    CYS  18           H        CYS  18  -3.478  -2.281  -0.216
  115    HA   CYS  18           HA       CYS  18  -6.108  -2.657   1.094
  116    HB2  CYS  18           2HB      CYS  18  -3.423  -1.542   1.957
  117    HB3  CYS  18           1HB      CYS  18  -4.812  -1.693   3.032
  118    H    CYS  19           H        CYS  19  -6.623  -0.543   2.551
  119    HA   CYS  19           HA       CYS  19  -7.359   1.552   0.665
  120    HB2  CYS  19           2HB      CYS  19  -7.469   1.627   3.687
  121    HB3  CYS  19           1HB      CYS  19  -8.549   2.424   2.545
  122    H    ASN  20           H        ASN  20  -4.389   0.928   1.750
  123    HA   ASN  20           HA       ASN  20  -3.600   3.786   1.722
  124    HB2  ASN  20           2HB      ASN  20  -2.814   1.887   3.954
  125    HB3  ASN  20           1HB      ASN  20  -2.475   3.616   3.861
  126   HD21  ASN  20          1HD2      ASN  20  -5.139   1.255   4.220
  127   HD22  ASN  20          2HD2      ASN  20  -6.225   2.350   4.928
  128    H    CYS  21           H        CYS  21  -1.727   1.027   2.926
  129    HA   CYS  21           HA       CYS  21  -0.192   0.946   0.358
  130    HB2  CYS  21           2HB      CYS  21   0.670   1.724   3.114
  131    HB3  CYS  21           1HB      CYS  21   1.807   0.786   2.145
  132    H    CYS  22           H        CYS  22   1.295  -1.020   0.362
  133    HA   CYS  22           HA       CYS  22   0.508  -3.187   2.229
  134    HB2  CYS  22           2HB      CYS  22  -0.004  -4.607   0.164
  135    HB3  CYS  22           1HB      CYS  22  -1.176  -3.345   0.525
  136    H    LEU  23           H        LEU  23   2.833  -2.904   2.791
  137    HA   LEU  23           HA       LEU  23   4.878  -3.404   0.758
  138    HB2  LEU  23           2HB      LEU  23   4.928  -3.308   3.792
  139    HB3  LEU  23           1HB      LEU  23   6.358  -3.297   2.757
  140    HG   LEU  23           HG       LEU  23   4.147  -1.225   2.653
  141   HD11  LEU  23          1HD1      LEU  23   6.406   0.075   3.467
  142   HD12  LEU  23          2HD1      LEU  23   6.603  -1.479   4.279
  143   HD13  LEU  23          3HD1      LEU  23   5.158  -0.511   4.566
  144   HD21  LEU  23          3HD2      LEU  23   5.958  -1.932   0.704
  145   HD22  LEU  23          1HD2      LEU  23   6.820  -0.649   1.552
  146   HD23  LEU  23          2HD2      LEU  23   5.230  -0.333   0.861
  147    H    SER  24           H        SER  24   6.166  -5.305   0.595
  148    HA   SER  24           HA       SER  24   5.030  -7.805   0.643
  149    HB2  SER  24           2HB      SER  24   7.277  -7.138  -0.232
  150    HB3  SER  24           1HB      SER  24   7.882  -7.141   1.421
  151    HG   SER  24           HG       SER  24   8.221  -9.128   0.233
  152    H    GLY  25           H        GLY  25   6.643  -6.240   3.379
  153    HA2  GLY  25           2HA      GLY  25   6.516  -8.427   5.196
  154    HA3  GLY  25           1HA      GLY  25   6.569  -6.731   5.677
  155    H    ILE  26           H        ILE  26   4.273  -5.659   4.852
  156    HA   ILE  26           HA       ILE  26   1.912  -7.280   5.163
  157    HB   ILE  26           HB       ILE  26   3.384  -6.451   7.538
  158   HG12  ILE  26          2HG1      ILE  26   1.007  -7.883   8.153
  159   HG13  ILE  26          1HG1      ILE  26   1.602  -8.509   6.615
  160   HG21  ILE  26          1HG2      ILE  26   1.849  -4.541   7.544
  161   HG22  ILE  26          2HG2      ILE  26   1.393  -5.671   8.820
  162   HG23  ILE  26          3HG2      ILE  26   0.473  -5.620   7.315
  163   HD11  ILE  26          3HD1      ILE  26   3.056  -9.738   7.828
  164   HD12  ILE  26          1HD1      ILE  26   2.718  -8.819   9.295
  165   HD13  ILE  26          2HD1      ILE  26   3.909  -8.227   8.138
  166    H    CYS  27           H        CYS  27  -0.058  -5.827   5.467
  167    HA   CYS  27           HA       CYS  27   0.303  -3.375   3.902
  168    HB2  CYS  27           2HB      CYS  27  -1.751  -5.252   4.573
  169    HB3  CYS  27           1HB      CYS  27  -2.316  -3.636   5.000
  170    H    ALA  28           H        ALA  28   0.144  -1.270   4.668
  171    HA   ALA  28           HA       ALA  28  -0.732  -0.710   7.422
  172    HB1  ALA  28           3HB      ALA  28   1.772   0.430   7.480
  173    HB2  ALA  28           1HB      ALA  28   2.077  -1.058   6.583
  174    HB3  ALA  28           2HB      ALA  28   1.373  -1.129   8.200
  175    HA   HYP  29           HA       HYP  29  -1.433   3.299   5.774
  176    HB2  HYP  29           1HB      HYP  29  -0.568   4.999   7.735
  177    HB3  HYP  29           2HB      HYP  29  -2.040   4.020   7.888
  178    HG   HYP  29           HG       HYP  29   0.684   3.529   8.976
  179   HD22  HYP  29          1HD       HYP  29  -1.197   1.239   8.749
  180   HD23  HYP  29          2HD       HYP  29   0.579   1.268   8.703
  181    HD1  HYP  29           HOD      HYP  29  -1.436   4.216  10.136
  182    H    SER  30           H        SER  30  -0.062   5.677   5.876
  183    HA   SER  30           HA       SER  30   2.558   4.971   4.616
  184    HB2  SER  30           2HB      SER  30   0.552   6.189   3.453
  185    HB3  SER  30           1HB      SER  30   1.102   7.594   4.363
  186    HG   SER  30           HG       SER  30   2.193   6.363   2.178
  187    H    THR  31           H        THR  31   1.013   7.363   6.769
  188    HA   THR  31           HA       THR  31   3.488   7.569   8.349
  189    HB   THR  31           HB       THR  31   4.069   9.049   6.573
  190    HG1  THR  31           HG1      THR  31   4.570  10.429   8.053
  191   HG21  THR  31          3HG2      THR  31   2.462   9.851   5.226
  192   HG22  THR  31          1HG2      THR  31   1.949  10.943   6.511
  193   HG23  THR  31          2HG2      THR  31   1.225   9.339   6.375
  194    H    ASN  32           H        ASN  32   0.097   8.163   7.887
  195    HA   ASN  32           HA       ASN  32  -0.227   8.638  10.773
  196    HB2  ASN  32           2HB      ASN  32  -1.588  10.801  10.022
  197    HB3  ASN  32           1HB      ASN  32   0.151  10.878  10.304
  198   HD21  ASN  32          1HD2      ASN  32  -1.267   9.258   7.472
  199   HD22  ASN  32          2HD2      ASN  32  -0.680  10.368   6.333
  200    H    TRP  33           H        TRP  33  -2.612   9.984   8.668
  201    HA   TRP  33           HA       TRP  33  -4.564   7.989   9.518
  202    HB2  TRP  33           2HB      TRP  33  -6.001   9.466   7.908
  203    HB3  TRP  33           1HB      TRP  33  -5.395  10.171   9.404
  204    HD1  TRP  33           HD1      TRP  33  -2.970   9.609   6.549
  205    HE1  TRP  33           HE1      TRP  33  -2.246  11.893   5.596
  206    HE3  TRP  33           HE3      TRP  33  -6.218  12.671   9.026
  207    HZ2  TRP  33           HZ2      TRP  33  -2.955  14.653   5.844
  208    HZ3  TRP  33           HZ3      TRP  33  -6.175  15.120   8.650
  209    HH2  TRP  33           HH2      TRP  33  -4.550  16.114   7.063
  210    H    ILE  34           H        ILE  34  -5.058   9.024   6.268
  211    HA   ILE  34           HA       ILE  34  -4.516   6.223   5.356
  212    HB   ILE  34           HB       ILE  34  -6.388   8.095   3.962
  213   HG12  ILE  34          2HG1      ILE  34  -6.963   8.442   6.306
  214   HG13  ILE  34          1HG1      ILE  34  -8.185   7.405   5.571
  215   HG21  ILE  34          1HG2      ILE  34  -5.801   5.658   3.310
  216   HG22  ILE  34          2HG2      ILE  34  -7.508   6.100   3.370
  217   HG23  ILE  34          3HG2      ILE  34  -6.782   5.197   4.700
  218   HD11  ILE  34          3HD1      ILE  34  -7.746   5.802   7.084
  219   HD12  ILE  34          1HD1      ILE  34  -6.535   6.844   7.831
  220   HD13  ILE  34          2HD1      ILE  34  -6.071   5.739   6.537
  221    H    LEU  35           H        LEU  35  -3.662   9.501   4.846
  222    HA   LEU  35           HA       LEU  35  -3.109   9.861   2.182
  223    HB2  LEU  35           2HB      LEU  35  -2.470  11.479   3.840
  224    HB3  LEU  35           1HB      LEU  35  -1.373  10.339   4.618
  225    HG   LEU  35           HG       LEU  35  -0.507  10.416   1.965
  226   HD11  LEU  35          1HD1      LEU  35  -1.663  13.020   2.837
  227   HD12  LEU  35          2HD1      LEU  35  -1.490  12.357   1.214
  228   HD13  LEU  35          3HD1      LEU  35  -0.098  13.072   2.026
  229   HD21  LEU  35          3HD2      LEU  35   0.400  11.478   4.605
  230   HD22  LEU  35          1HD2      LEU  35   1.254  12.044   3.169
  231   HD23  LEU  35          2HD2      LEU  35   1.185  10.319   3.532
  232    HA   PRO  36           HA       PRO  36  -0.796   6.041   1.514
  233    HB2  PRO  36           2HB      PRO  36  -1.060   6.096  -1.211
  234    HB3  PRO  36           1HB      PRO  36  -2.330   5.493  -0.126
  235    HG2  PRO  36           2HG      PRO  36  -2.100   8.128  -1.489
  236    HG3  PRO  36           1HG      PRO  36  -3.531   7.125  -1.204
  237    HD2  PRO  36           2HD      PRO  36  -2.913   9.323   0.287
  238    HD3  PRO  36           1HD      PRO  36  -3.844   7.943   0.911
  239    H    GLY  37           H        GLY  37   0.934   5.719  -0.518
  240    HA2  GLY  37           2HA      GLY  37   2.743   6.763  -1.757
  241    HA3  GLY  37           1HA      GLY  37   2.545   8.210  -0.765
  242    H    CYS  38           H        CYS  38   3.422   4.758  -0.444
  243    HA   CYS  38           HA       CYS  38   5.154   5.490   1.882
  244    HB2  CYS  38           2HB      CYS  38   4.206   2.795   0.855
  245    HB3  CYS  38           1HB      CYS  38   4.983   3.109   2.405
  246    H    SER  39           H        SER  39   7.196   3.952   1.942
  247    HA   SER  39           HA       SER  39   8.729   4.472  -0.502
  248    HB2  SER  39           2HB      SER  39  10.485   4.282   0.948
  249    HB3  SER  39           1HB      SER  39   9.237   4.355   2.188
  250    HG   SER  39           HG       SER  39  10.820   2.276   1.404
  251    H    THR  40           H        THR  40  10.164   2.595  -1.331
  252    HA   THR  40           HA       THR  40   9.220  -0.135  -1.034
  253    HB   THR  40           HB       THR  40   7.328   0.745  -2.267
  254    HG1  THR  40           HG1      THR  40   9.122  -0.554  -4.038
  255   HG21  THR  40          3HG2      THR  40   7.859   1.744  -4.600
  256   HG22  THR  40          1HG2      THR  40   9.483   1.997  -3.959
  257   HG23  THR  40          2HG2      THR  40   8.099   2.770  -3.186
  258    H    SER  41           H        SER  41  11.716   0.192  -0.756
  259    HA   SER  41           HA       SER  41  13.534   0.807  -2.773
  260    HB2  SER  41           2HB      SER  41  14.365  -1.600  -1.456
  261    HB3  SER  41           1HB      SER  41  14.858   0.054  -1.109
  262    HG   SER  41           HG       SER  41  12.897  -1.536   0.073
  263    H    SER  42           H        SER  42  14.854  -0.886  -4.069
  264    HA   SER  42           HA       SER  42  12.954  -2.485  -5.682
  265    HB2  SER  42           2HB      SER  42  14.758  -0.864  -6.532
  266    HB3  SER  42           1HB      SER  42  15.930  -2.091  -6.060
  267    HG   SER  42           HG       SER  42  13.705  -2.568  -7.758
  268    H    PHE  43           H        PHE  43  15.107  -4.327  -6.536
  269    HA   PHE  43           HA       PHE  43  15.439  -5.990  -4.065
  270    HB2  PHE  43           2HB      PHE  43  13.544  -6.402  -6.004
  271    HB3  PHE  43           1HB      PHE  43  14.872  -7.394  -6.604
  272    HD1  PHE  43           HD2      PHE  43  12.609  -6.803  -3.726
  273    HD2  PHE  43           HD1      PHE  43  15.570  -9.389  -5.457
  274    HE1  PHE  43           HE2      PHE  43  12.080  -8.540  -2.038
  275    HE2  PHE  43           HE1      PHE  43  15.039 -11.126  -3.769
  276    HZ   PHE  43           HZ       PHE  43  13.293 -10.702  -2.059
  277    H    PHE  44           H        PHE  44  16.972  -4.433  -6.541
  278    HA   PHE  44           HA       PHE  44  18.961  -6.537  -7.159
  279    HB2  PHE  44           2HB      PHE  44  17.998  -4.870  -8.808
  280    HB3  PHE  44           1HB      PHE  44  18.870  -3.606  -7.939
  281    HD1  PHE  44           HD1      PHE  44  19.232  -6.660 -10.000
  282    HD2  PHE  44           HD2      PHE  44  21.271  -3.392  -8.100
  283    HE1  PHE  44           HE1      PHE  44  21.294  -7.211 -11.264
  284    HE2  PHE  44           HE2      PHE  44  23.332  -3.942  -9.365
  285    HZ   PHE  44           HZ       PHE  44  23.344  -5.851 -10.948
  286    H    LYS  45           H        LYS  45  20.650  -6.832  -5.763
  287    HA   LYS  45           HA       LYS  45  21.875  -4.424  -4.482
  288    HB2  LYS  45           2HB      LYS  45  20.197  -5.643  -3.011
  289    HB3  LYS  45           1HB      LYS  45  21.279  -7.035  -3.064
  290    HG2  LYS  45           2HG      LYS  45  22.826  -6.056  -1.697
  291    HG3  LYS  45           1HG      LYS  45  22.550  -4.449  -2.370
  292    HD2  LYS  45           2HD      LYS  45  20.755  -5.904  -0.408
  293    HD3  LYS  45           1HD      LYS  45  21.764  -4.499  -0.060
  294    HE2  LYS  45           2HE      LYS  45  20.074  -3.145  -0.717
  295    HE3  LYS  45           1HE      LYS  45  20.134  -3.873  -2.335
  296    HZ1  LYS  45           3HZ      LYS  45  18.033  -4.465  -1.607
  297    HZ2  LYS  45           1HZ      LYS  45  18.530  -4.689   0.001
  298    HZ3  LYS  45           2HZ      LYS  45  18.949  -5.834  -1.184
  299    H    ILE  46           H        ILE  46  24.014  -5.262  -3.319
  300    HA   ILE  46           HA       ILE  46  25.430  -7.008  -5.297
  301    HB   ILE  46           HB       ILE  46  26.237  -4.764  -3.437
  302   HG12  ILE  46          2HG1      ILE  46  26.944  -5.021  -6.342
  303   HG13  ILE  46          1HG1      ILE  46  25.296  -4.566  -5.905
  304   HG21  ILE  46          1HG2      ILE  46  28.561  -5.266  -4.589
  305   HG22  ILE  46          2HG2      ILE  46  27.911  -6.901  -4.718
  306   HG23  ILE  46          3HG2      ILE  46  28.089  -6.143  -3.135
  307   HD11  ILE  46          3HD1      ILE  46  27.854  -3.136  -5.139
  308   HD12  ILE  46          1HD1      ILE  46  26.279  -2.755  -4.443
  309   HD13  ILE  46          2HD1      ILE  46  26.559  -2.527  -6.169
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1  -9.280   9.397  -3.659
    2    H2   GLY   1           2H       GLY   1 -10.062   8.639  -2.359
    3    H3   GLY   1           3H       GLY   1 -10.786   9.968  -3.133
    4    HA2  GLY   1           2HA      GLY   1 -11.498   8.764  -4.903
    5    HA3  GLY   1           1HA      GLY   1 -10.134   7.654  -4.786
    6    HA   HYP   2           HA       HYP   2 -13.670   6.355  -1.784
    7    HB2  HYP   2           1HB      HYP   2 -16.124   6.515  -2.976
    8    HB3  HYP   2           2HB      HYP   2 -15.441   7.818  -1.987
    9    HG   HYP   2           HG       HYP   2 -15.579   7.548  -4.938
   10   HD22  HYP   2          1HD       HYP   2 -13.517   9.385  -3.891
   11   HD23  HYP   2          2HD       HYP   2 -13.503   8.353  -5.335
   12    HD1  HYP   2           HOD      HYP   2 -16.002   9.795  -4.729
   13    H    SER   3           H        SER   3 -12.439   4.440  -2.604
   14    HA   SER   3           HA       SER   3 -14.162   2.689  -4.315
   15    HB2  SER   3           2HB      SER   3 -11.691   1.950  -5.126
   16    HB3  SER   3           1HB      SER   3 -12.609   3.219  -5.931
   17    HG   SER   3           HG       SER   3 -10.684   3.561  -3.856
   18    H    PHE   4           H        PHE   4 -13.608   0.350  -3.991
   19    HA   PHE   4           HA       PHE   4 -13.222  -0.287  -1.195
   20    HB2  PHE   4           2HB      PHE   4 -13.305  -2.641  -2.067
   21    HB3  PHE   4           1HB      PHE   4 -14.633  -1.644  -2.647
   22    HD1  PHE   4           HD1      PHE   4 -11.160  -2.716  -3.623
   23    HD2  PHE   4           HD2      PHE   4 -15.091  -1.579  -4.945
   24    HE1  PHE   4           HE1      PHE   4 -10.522  -3.225  -5.965
   25    HE2  PHE   4           HE2      PHE   4 -14.445  -2.091  -7.284
   26    HZ   PHE   4           HZ       PHE   4 -12.166  -2.916  -7.791
   27    H    CYS   5           H        CYS   5 -11.497  -1.940  -0.513
   28    HA   CYS   5           HA       CYS   5  -9.000  -2.172  -1.945
   29    HB2  CYS   5           2HB      CYS   5  -7.725  -0.544  -0.533
   30    HB3  CYS   5           1HB      CYS   5  -8.944   0.241  -1.535
   31    H    LYS   6           H        LYS   6  -7.186  -2.791  -0.270
   32    HA   LYS   6           HA       LYS   6  -8.321  -4.778   1.598
   33    HB2  LYS   6           2HB      LYS   6  -6.443  -5.142  -0.103
   34    HB3  LYS   6           1HB      LYS   6  -5.433  -4.130   0.923
   35    HG2  LYS   6           2HG      LYS   6  -5.482  -5.672   2.709
   36    HG3  LYS   6           1HG      LYS   6  -6.889  -6.517   2.058
   37    HD2  LYS   6           2HD      LYS   6  -4.437  -6.424   0.357
   38    HD3  LYS   6           1HD      LYS   6  -4.401  -7.475   1.772
   39    HE2  LYS   6           2HE      LYS   6  -6.796  -8.226   0.841
   40    HE3  LYS   6           1HE      LYS   6  -6.098  -7.673  -0.693
   41    HZ1  LYS   6           3HZ      LYS   6  -5.636 -10.083   0.123
   42    HZ2  LYS   6           1HZ      LYS   6  -4.476  -9.347   1.116
   43    HZ3  LYS   6           2HZ      LYS   6  -4.383  -9.179  -0.573
   44    H    ALA   7           H        ALA   7  -7.275  -4.891   3.829
   45    HA   ALA   7           HA       ALA   7  -7.029  -2.134   4.983
   46    HB1  ALA   7           3HB      ALA   7  -8.412  -2.962   6.570
   47    HB2  ALA   7           1HB      ALA   7  -7.326  -4.313   6.874
   48    HB3  ALA   7           2HB      ALA   7  -8.546  -4.432   5.603
   49    H    ASP   8           H        ASP   8  -5.710  -2.348   7.192
   50    HA   ASP   8           HA       ASP   8  -2.948  -2.683   6.560
   51    HB2  ASP   8           2HB      ASP   8  -4.565  -2.510   9.108
   52    HB3  ASP   8           1HB      ASP   8  -2.812  -2.661   9.156
   53    H    GLU   9           H        GLU   9  -1.571  -4.198   8.120
   54    HA   GLU   9           HA       GLU   9  -0.907  -6.348   8.793
   55    HB2  GLU   9           2HB      GLU   9  -2.888  -6.413  10.150
   56    HB3  GLU   9           1HB      GLU   9  -3.919  -6.671   8.749
   57    HG2  GLU   9           2HG      GLU   9  -1.956  -8.753   8.774
   58    HG3  GLU   9           1HG      GLU   9  -2.650  -8.641  10.389
   59    H    LYS  10           H        LYS  10  -3.550  -6.729   6.415
   60    HA   LYS  10           HA       LYS  10  -2.109  -8.929   5.084
   61    HB2  LYS  10           2HB      LYS  10  -4.192  -8.625   3.486
   62    HB3  LYS  10           1HB      LYS  10  -4.416  -9.298   5.095
   63    HG2  LYS  10           2HG      LYS  10  -4.615  -6.335   4.876
   64    HG3  LYS  10           1HG      LYS  10  -5.908  -7.260   4.114
   65    HD2  LYS  10           2HD      LYS  10  -5.006  -7.587   6.993
   66    HD3  LYS  10           1HD      LYS  10  -6.433  -6.692   6.477
   67    HE2  LYS  10           2HE      LYS  10  -7.388  -8.759   5.508
   68    HE3  LYS  10           1HE      LYS  10  -5.951  -9.665   6.031
   69    HZ1  LYS  10           3HZ      LYS  10  -7.847  -8.176   7.776
   70    HZ2  LYS  10           1HZ      LYS  10  -6.376  -8.839   8.323
   71    HZ3  LYS  10           2HZ      LYS  10  -7.608  -9.856   7.732
   72    HA   HYP  11           HA       HYP  11  -0.023  -5.771   2.661
   73    HB2  HYP  11           1HB      HYP  11   1.926  -7.424   1.742
   74    HB3  HYP  11           2HB      HYP  11   1.950  -6.693   3.352
   75    HG   HYP  11           HG       HYP  11   2.082  -8.840   4.016
   76   HD22  HYP  11          1HD       HYP  11   0.173  -8.490   5.122
   77   HD23  HYP  11          2HD       HYP  11  -0.551  -9.606   3.953
   78    HD1  HYP  11           HOD      HYP  11   2.044  -9.661   1.763
   79    H    CYS  12           H        CYS  12   1.128  -6.169   0.282
   80    HA   CYS  12           HA       CYS  12  -0.627  -7.842  -1.440
   81    HB2  CYS  12           2HB      CYS  12  -1.642  -6.063  -2.521
   82    HB3  CYS  12           1HB      CYS  12  -1.451  -5.354  -0.920
   83    H    GLU  13           H        GLU  13   0.130  -7.174  -3.887
   84    HA   GLU  13           HA       GLU  13   3.010  -7.788  -3.996
   85    HB2  GLU  13           2HB      GLU  13   1.242  -8.927  -5.347
   86    HB3  GLU  13           1HB      GLU  13   0.909  -7.395  -6.154
   87    HG2  GLU  13           2HG      GLU  13   3.101  -7.335  -7.129
   88    HG3  GLU  13           1HG      GLU  13   3.645  -8.695  -6.145
   89    H    TYR  14           H        TYR  14   0.817  -5.211  -5.190
   90    HA   TYR  14           HA       TYR  14   3.164  -3.549  -5.961
   91    HB2  TYR  14           2HB      TYR  14   0.192  -3.034  -6.336
   92    HB3  TYR  14           1HB      TYR  14   1.524  -2.283  -7.217
   93    HD1  TYR  14           HD2      TYR  14   3.157  -3.982  -8.440
   94    HD2  TYR  14           HD1      TYR  14  -0.891  -4.861  -7.294
   95    HE1  TYR  14           HE2      TYR  14   3.082  -5.820 -10.098
   96    HE2  TYR  14           HE1      TYR  14  -0.962  -6.700  -8.954
   97    HH   TYR  14           HH       TYR  14   1.055  -8.236 -10.054
   98    H    HIS  15           H        HIS  15   1.084  -1.209  -5.482
   99    HA   HIS  15           HA       HIS  15   1.502  -0.986  -2.523
  100    HB2  HIS  15           2HB      HIS  15   2.564   0.587  -4.769
  101    HB3  HIS  15           1HB      HIS  15   1.802   1.579  -3.532
  102    HD1  HIS  15           HD1      HIS  15   2.669  -0.520  -1.178
  103    HD2  HIS  15           HD2      HIS  15   5.172   1.350  -3.939
  104    HE1  HIS  15           HE1      HIS  15   4.971  -0.431  -0.121
  105    H    ALA  16           H        ALA  16  -0.909  -1.218  -4.712
  106    HA   ALA  16           HA       ALA  16  -2.524   0.980  -3.423
  107    HB1  ALA  16           3HB      ALA  16  -2.580  -0.229  -6.199
  108    HB2  ALA  16           1HB      ALA  16  -2.126   1.417  -5.756
  109    HB3  ALA  16           2HB      ALA  16  -3.803   0.895  -5.607
  110    H    ASP  17           H        ASP  17  -2.191  -2.265  -3.125
  111    HA   ASP  17           HA       ASP  17  -4.856  -3.265  -3.553
  112    HB2  ASP  17           2HB      ASP  17  -2.418  -4.306  -2.943
  113    HB3  ASP  17           1HB      ASP  17  -3.200  -4.386  -1.362
  114    H    CYS  18           H        CYS  18  -3.209  -1.914  -0.691
  115    HA   CYS  18           HA       CYS  18  -5.736  -2.025   0.884
  116    HB2  CYS  18           2HB      CYS  18  -2.836  -1.371   1.437
  117    HB3  CYS  18           1HB      CYS  18  -4.085  -1.007   2.626
  118    H    CYS  19           H        CYS  19  -6.383   0.049   2.036
  119    HA   CYS  19           HA       CYS  19  -6.448   2.284   0.135
  120    HB2  CYS  19           2HB      CYS  19  -7.715   1.469   2.685
  121    HB3  CYS  19           1HB      CYS  19  -7.574   3.208   2.437
  122    H    ASN  20           H        ASN  20  -3.776   1.591   1.261
  123    HA   ASN  20           HA       ASN  20  -2.916   4.267   2.068
  124    HB2  ASN  20           2HB      ASN  20  -1.865   2.866   4.181
  125    HB3  ASN  20           1HB      ASN  20  -3.362   3.791   4.274
  126   HD21  ASN  20          1HD2      ASN  20  -5.260   2.607   4.770
  127   HD22  ASN  20          2HD2      ASN  20  -5.366   0.915   4.727
  128    H    CYS  21           H        CYS  21  -1.433   1.154   2.958
  129    HA   CYS  21           HA       CYS  21   0.425   1.235   0.644
  130    HB2  CYS  21           2HB      CYS  21   1.036   1.967   3.481
  131    HB3  CYS  21           1HB      CYS  21   2.245   1.019   2.620
  132    H    CYS  22           H        CYS  22   0.868  -0.921   0.076
  133    HA   CYS  22           HA       CYS  22   0.439  -2.995   2.201
  134    HB2  CYS  22           2HB      CYS  22  -0.427  -4.404   0.300
  135    HB3  CYS  22           1HB      CYS  22  -1.416  -2.998   0.666
  136    H    LEU  23           H        LEU  23   2.834  -2.876   2.531
  137    HA   LEU  23           HA       LEU  23   4.590  -3.639   0.301
  138    HB2  LEU  23           2HB      LEU  23   4.816  -3.158   3.268
  139    HB3  LEU  23           1HB      LEU  23   6.156  -3.925   2.417
  140    HG   LEU  23           HG       LEU  23   4.910  -1.331   1.475
  141   HD11  LEU  23          1HD1      LEU  23   6.837  -0.202   2.557
  142   HD12  LEU  23          2HD1      LEU  23   7.310  -1.736   3.287
  143   HD13  LEU  23          3HD1      LEU  23   5.784  -0.979   3.742
  144   HD21  LEU  23          3HD2      LEU  23   7.219  -1.147   0.409
  145   HD22  LEU  23          1HD2      LEU  23   6.190  -2.428  -0.236
  146   HD23  LEU  23          2HD2      LEU  23   7.484  -2.822   0.897
  147    H    SER  24           H        SER  24   5.521  -5.693  -0.009
  148    HA   SER  24           HA       SER  24   4.123  -8.029   0.257
  149    HB2  SER  24           2HB      SER  24   6.467  -7.459  -0.768
  150    HB3  SER  24           1HB      SER  24   7.089  -8.034   0.776
  151    HG   SER  24           HG       SER  24   6.910  -9.922  -0.143
  152    H    GLY  25           H        GLY  25   6.247  -6.713   2.781
  153    HA2  GLY  25           2HA      GLY  25   6.060  -8.898   4.598
  154    HA3  GLY  25           1HA      GLY  25   6.423  -7.236   5.061
  155    H    ILE  26           H        ILE  26   4.153  -5.847   4.547
  156    HA   ILE  26           HA       ILE  26   1.714  -7.221   5.361
  157    HB   ILE  26           HB       ILE  26   3.665  -6.309   7.328
  158   HG12  ILE  26          2HG1      ILE  26   1.008  -7.502   8.022
  159   HG13  ILE  26          1HG1      ILE  26   2.154  -8.460   7.085
  160   HG21  ILE  26          1HG2      ILE  26   2.129  -5.159   8.860
  161   HG22  ILE  26          2HG2      ILE  26   0.854  -5.214   7.643
  162   HG23  ILE  26          3HG2      ILE  26   2.302  -4.247   7.360
  163   HD11  ILE  26          3HD1      ILE  26   2.344  -8.747   9.590
  164   HD12  ILE  26          1HD1      ILE  26   2.879  -7.069   9.672
  165   HD13  ILE  26          2HD1      ILE  26   3.837  -8.259   8.790
  166    H    CYS  27           H        CYS  27  -0.110  -5.630   5.627
  167    HA   CYS  27           HA       CYS  27   0.323  -3.237   3.936
  168    HB2  CYS  27           2HB      CYS  27  -1.887  -4.935   4.758
  169    HB3  CYS  27           1HB      CYS  27  -2.294  -3.230   4.940
  170    H    ALA  28           H        ALA  28   0.317  -1.132   4.673
  171    HA   ALA  28           HA       ALA  28  -0.120  -0.676   7.599
  172    HB1  ALA  28           3HB      ALA  28   2.319  -0.765   6.303
  173    HB2  ALA  28           1HB      ALA  28   2.022   0.078   7.822
  174    HB3  ALA  28           2HB      ALA  28   1.958   0.961   6.294
  175    HA   HYP  29           HA       HYP  29  -2.559   2.677   6.112
  176    HB2  HYP  29           1HB      HYP  29  -2.637   4.230   8.358
  177    HB3  HYP  29           2HB      HYP  29  -3.547   2.717   8.184
  178    HG   HYP  29           HG       HYP  29  -1.028   3.261   9.638
  179   HD22  HYP  29          1HD       HYP  29  -1.399   0.452   8.866
  180   HD23  HYP  29          2HD       HYP  29   0.079   1.429   8.948
  181    HD1  HYP  29           HOD      HYP  29  -3.037   1.261  10.063
  182    H    SER  30           H        SER  30  -2.427   5.121   5.804
  183    HA   SER  30           HA       SER  30   0.088   5.955   4.779
  184    HB2  SER  30           2HB      SER  30  -2.005   7.880   5.758
  185    HB3  SER  30           1HB      SER  30  -1.065   7.927   4.267
  186    HG   SER  30           HG       SER  30  -2.503   6.663   3.345
  187    H    THR  31           H        THR  31  -1.320   6.399   8.011
  188    HA   THR  31           HA       THR  31   0.762   8.279   8.850
  189    HB   THR  31           HB       THR  31  -1.586   8.289   9.679
  190    HG1  THR  31           HG1      THR  31  -0.721   9.164  11.352
  191   HG21  THR  31          3HG2      THR  31  -1.191   5.530   9.960
  192   HG22  THR  31          1HG2      THR  31  -2.601   6.449  10.490
  193   HG23  THR  31          2HG2      THR  31  -1.270   6.140  11.608
  194    H    ASN  32           H        ASN  32   2.607   6.851   8.219
  195    HA   ASN  32           HA       ASN  32   3.050   4.513  10.002
  196    HB2  ASN  32           2HB      ASN  32   4.405   5.587   7.512
  197    HB3  ASN  32           1HB      ASN  32   5.042   4.218   8.417
  198   HD21  ASN  32          1HD2      ASN  32   2.365   3.078   9.087
  199   HD22  ASN  32          2HD2      ASN  32   1.731   2.493   7.629
  200    H    TRP  33           H        TRP  33   4.786   4.438  11.442
  201    HA   TRP  33           HA       TRP  33   6.503   6.866  11.678
  202    HB2  TRP  33           2HB      TRP  33   6.234   6.333  14.269
  203    HB3  TRP  33           1HB      TRP  33   5.043   7.314  13.433
  204    HD1  TRP  33           HD1      TRP  33   2.982   5.568  12.281
  205    HE1  TRP  33           HE1      TRP  33   1.661   3.791  13.597
  206    HE3  TRP  33           HE3      TRP  33   6.130   4.887  16.252
  207    HZ2  TRP  33           HZ2      TRP  33   1.904   2.287  16.020
  208    HZ3  TRP  33           HZ3      TRP  33   5.551   3.288  18.057
  209    HH2  TRP  33           HH2      TRP  33   3.442   1.990  17.944
  210    H    ILE  34           H        ILE  34   6.129   3.674  13.319
  211    HA   ILE  34           HA       ILE  34   9.070   3.257  12.973
  212    HB   ILE  34           HB       ILE  34   8.720   1.494  14.690
  213   HG12  ILE  34          2HG1      ILE  34   5.856   2.428  14.870
  214   HG13  ILE  34          1HG1      ILE  34   6.328   1.048  13.878
  215   HG21  ILE  34          1HG2      ILE  34   7.729   3.106  16.490
  216   HG22  ILE  34          2HG2      ILE  34   7.740   4.292  15.182
  217   HG23  ILE  34          3HG2      ILE  34   9.243   3.529  15.699
  218   HD11  ILE  34          3HD1      ILE  34   7.315   1.128  16.703
  219   HD12  ILE  34          1HD1      ILE  34   6.889  -0.260  15.701
  220   HD13  ILE  34          2HD1      ILE  34   5.621   0.721  16.434
  221    H    LEU  35           H        LEU  35   6.613   2.781  11.029
  222    HA   LEU  35           HA       LEU  35   7.413   0.013  10.225
  223    HB2  LEU  35           2HB      LEU  35   4.752   1.421  10.404
  224    HB3  LEU  35           1HB      LEU  35   4.960   0.061   9.300
  225    HG   LEU  35           HG       LEU  35   6.102  -0.599  11.873
  226   HD11  LEU  35          1HD1      LEU  35   4.300  -0.350  13.340
  227   HD12  LEU  35          2HD1      LEU  35   3.138  -0.115  12.035
  228   HD13  LEU  35          3HD1      LEU  35   4.266   1.175  12.457
  229   HD21  LEU  35          3HD2      LEU  35   5.361  -2.208  10.153
  230   HD22  LEU  35          1HD2      LEU  35   3.697  -1.656  10.346
  231   HD23  LEU  35          2HD2      LEU  35   4.512  -2.485  11.672
  232    HA   PRO  36           HA       PRO  36   8.437   1.913   6.370
  233    HB2  PRO  36           2HB      PRO  36   8.341  -0.275   4.742
  234    HB3  PRO  36           1HB      PRO  36   9.653   0.020   5.898
  235    HG2  PRO  36           2HG      PRO  36   7.315  -1.807   6.114
  236    HG3  PRO  36           1HG      PRO  36   8.983  -2.038   6.670
  237    HD2  PRO  36           2HD      PRO  36   6.891  -1.341   8.316
  238    HD3  PRO  36           1HD      PRO  36   8.595  -0.972   8.663
  239    H    GLY  37           H        GLY  37   7.299   2.818   4.602
  240    HA2  GLY  37           2HA      GLY  37   4.600   1.702   3.998
  241    HA3  GLY  37           1HA      GLY  37   4.784   3.425   4.333
  242    H    CYS  38           H        CYS  38   4.571   4.469   2.407
  243    HA   CYS  38           HA       CYS  38   6.219   3.483   0.103
  244    HB2  CYS  38           2HB      CYS  38   3.535   4.864  -0.132
  245    HB3  CYS  38           1HB      CYS  38   4.377   3.907  -1.349
  246    H    SER  39           H        SER  39   7.429   5.100  -0.924
  247    HA   SER  39           HA       SER  39   7.526   7.751   0.343
  248    HB2  SER  39           2HB      SER  39   9.321   7.979  -1.533
  249    HB3  SER  39           1HB      SER  39   9.609   6.810  -0.247
  250    HG   SER  39           HG       SER  39   8.935   6.431  -2.933
  251    H    THR  40           H        THR  40   5.021   7.701  -0.602
  252    HA   THR  40           HA       THR  40   5.089   9.138  -3.237
  253    HB   THR  40           HB       THR  40   2.532   8.298  -2.992
  254    HG1  THR  40           HG1      THR  40   2.315   6.675  -1.682
  255   HG21  THR  40          3HG2      THR  40   5.000   7.141  -4.140
  256   HG22  THR  40          1HG2      THR  40   3.459   7.512  -4.913
  257   HG23  THR  40          2HG2      THR  40   3.645   6.026  -3.985
  258    H    SER  41           H        SER  41   5.658  10.728  -1.112
  259    HA   SER  41           HA       SER  41   3.400  11.829   0.307
  260    HB2  SER  41           2HB      SER  41   5.586  13.690  -0.157
  261    HB3  SER  41           1HB      SER  41   5.097  12.903   1.342
  262    HG   SER  41           HG       SER  41   7.284  12.417   0.308
  263    H    SER  42           H        SER  42   2.098  13.606  -0.214
  264    HA   SER  42           HA       SER  42   2.385  14.698  -2.996
  265    HB2  SER  42           2HB      SER  42  -0.207  15.039  -2.499
  266    HB3  SER  42           1HB      SER  42   0.410  13.473  -3.017
  267    HG   SER  42           HG       SER  42  -0.930  13.347  -1.140
  268    H    PHE  43           H        PHE  43   3.193  15.681  -0.044
  269    HA   PHE  43           HA       PHE  43   2.688  18.518  -0.606
  270    HB2  PHE  43           2HB      PHE  43   0.549  17.459   0.341
  271    HB3  PHE  43           1HB      PHE  43   1.426  17.304   1.860
  272    HD1  PHE  43           HD2      PHE  43   1.211  19.993  -0.768
  273    HD2  PHE  43           HD1      PHE  43   0.790  18.939   3.378
  274    HE1  PHE  43           HE2      PHE  43   0.704  22.354  -0.214
  275    HE2  PHE  43           HE1      PHE  43   0.279  21.302   3.926
  276    HZ   PHE  43           HZ       PHE  43   0.236  23.008   2.131
  277    H    PHE  44           H        PHE  44   4.999  16.637   0.150
  278    HA   PHE  44           HA       PHE  44   6.348  18.470   1.955
  279    HB2  PHE  44           2HB      PHE  44   4.680  16.599   3.156
  280    HB3  PHE  44           1HB      PHE  44   6.264  15.823   3.246
  281    HD1  PHE  44           HD1      PHE  44   4.470  19.018   3.971
  282    HD2  PHE  44           HD2      PHE  44   7.886  16.553   4.824
  283    HE1  PHE  44           HE1      PHE  44   5.102  20.534   5.826
  284    HE2  PHE  44           HE2      PHE  44   8.510  18.074   6.681
  285    HZ   PHE  44           HZ       PHE  44   7.123  20.065   7.178
  286    H    LYS  45           H        LYS  45   8.471  17.126   2.799
  287    HA   LYS  45           HA       LYS  45   9.475  15.474   0.512
  288    HB2  LYS  45           2HB      LYS  45  11.520  16.809   0.552
  289    HB3  LYS  45           1HB      LYS  45  10.147  17.903   0.418
  290    HG2  LYS  45           2HG      LYS  45  10.354  17.773   3.116
  291    HG3  LYS  45           1HG      LYS  45  12.042  17.505   2.683
  292    HD2  LYS  45           2HD      LYS  45  12.079  19.563   1.373
  293    HD3  LYS  45           1HD      LYS  45  10.354  19.809   1.650
  294    HE2  LYS  45           2HE      LYS  45  12.041  19.466   4.091
  295    HE3  LYS  45           1HE      LYS  45  12.234  20.988   3.199
  296    HZ1  LYS  45           3HZ      LYS  45   9.784  21.187   3.176
  297    HZ2  LYS  45           1HZ      LYS  45  10.426  21.223   4.745
  298    HZ3  LYS  45           2HZ      LYS  45   9.679  19.810   4.172
  299    H    ILE  46           H        ILE  46  12.155  15.552   1.948
  300    HA   ILE  46           HA       ILE  46  11.631  13.319   3.816
  301    HB   ILE  46           HB       ILE  46  14.141  14.554   2.635
  302   HG12  ILE  46          2HG1      ILE  46  12.599  13.405   1.021
  303   HG13  ILE  46          1HG1      ILE  46  14.168  12.616   1.170
  304   HG21  ILE  46          1HG2      ILE  46  13.736  12.091   4.347
  305   HG22  ILE  46          2HG2      ILE  46  14.750  13.489   4.703
  306   HG23  ILE  46          3HG2      ILE  46  15.195  12.380   3.404
  307   HD11  ILE  46          3HD1      ILE  46  11.485  11.668   2.033
  308   HD12  ILE  46          1HD1      ILE  46  12.834  11.290   3.104
  309   HD13  ILE  46          2HD1      ILE  46  12.862  10.748   1.427
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1 -13.649  -8.095   3.786
    2    H2   GLY   1           2H       GLY   1 -14.374  -7.719   2.291
    3    H3   GLY   1           3H       GLY   1 -15.056  -8.896   3.299
    4    HA2  GLY   1           2HA      GLY   1 -16.071  -7.423   4.645
    5    HA3  GLY   1           1HA      GLY   1 -14.746  -6.272   4.489
    6    HA   HYP   2           HA       HYP   2 -17.918  -4.315   1.956
    7    HB2  HYP   2           1HB      HYP   2 -16.673  -1.881   1.828
    8    HB3  HYP   2           2HB      HYP   2 -17.644  -2.398   3.221
    9    HG   HYP   2           HG       HYP   2 -14.686  -2.439   2.854
   10   HD22  HYP   2          1HD       HYP   2 -15.934  -4.127   4.955
   11   HD23  HYP   2          2HD       HYP   2 -14.406  -4.344   4.074
   12    HD1  HYP   2           HOD      HYP   2 -15.814  -0.835   4.206
   13    H    SER   3           H        SER   3 -17.900  -3.706  -0.306
   14    HA   SER   3           HA       SER   3 -15.764  -4.849  -1.894
   15    HB2  SER   3           2HB      SER   3 -17.896  -2.951  -2.876
   16    HB3  SER   3           1HB      SER   3 -17.207  -4.340  -3.701
   17    HG   SER   3           HG       SER   3 -19.045  -5.164  -2.950
   18    H    PHE   4           H        PHE   4 -14.006  -3.454  -0.863
   19    HA   PHE   4           HA       PHE   4 -13.520  -1.079  -2.580
   20    HB2  PHE   4           2HB      PHE   4 -14.610  -0.901   0.015
   21    HB3  PHE   4           1HB      PHE   4 -12.906  -0.503   0.224
   22    HD1  PHE   4           HD1      PHE   4 -12.391   0.704  -2.525
   23    HD2  PHE   4           HD2      PHE   4 -15.611   1.244   0.273
   24    HE1  PHE   4           HE1      PHE   4 -12.811   2.964  -3.445
   25    HE2  PHE   4           HE2      PHE   4 -16.031   3.507  -0.653
   26    HZ   PHE   4           HZ       PHE   4 -14.632   4.365  -2.512
   27    H    CYS   5           H        CYS   5 -11.281  -0.203  -0.897
   28    HA   CYS   5           HA       CYS   5  -9.181  -1.882  -1.900
   29    HB2  CYS   5           2HB      CYS   5  -7.860  -0.477  -0.114
   30    HB3  CYS   5           1HB      CYS   5  -8.602   0.356  -1.471
   31    H    LYS   6           H        LYS   6  -7.488  -2.923  -0.411
   32    HA   LYS   6           HA       LYS   6  -8.796  -4.892   1.311
   33    HB2  LYS   6           2HB      LYS   6  -6.686  -4.932  -0.341
   34    HB3  LYS   6           1HB      LYS   6  -5.830  -4.527   1.143
   35    HG2  LYS   6           2HG      LYS   6  -5.862  -6.706   1.676
   36    HG3  LYS   6           1HG      LYS   6  -7.609  -6.576   1.865
   37    HD2  LYS   6           2HD      LYS   6  -7.845  -7.996   0.129
   38    HD3  LYS   6           1HD      LYS   6  -7.160  -6.752  -0.917
   39    HE2  LYS   6           2HE      LYS   6  -4.867  -7.742   0.161
   40    HE3  LYS   6           1HE      LYS   6  -5.876  -9.201   0.190
   41    HZ1  LYS   6           3HZ      LYS   6  -4.718  -8.851  -1.958
   42    HZ2  LYS   6           1HZ      LYS   6  -5.583  -7.406  -2.170
   43    HZ3  LYS   6           2HZ      LYS   6  -6.404  -8.900  -2.114
   44    H    ALA   7           H        ALA   7  -7.474  -5.319   3.503
   45    HA   ALA   7           HA       ALA   7  -7.551  -2.726   4.992
   46    HB1  ALA   7           3HB      ALA   7  -8.401  -3.961   6.735
   47    HB2  ALA   7           1HB      ALA   7  -7.406  -5.367   6.364
   48    HB3  ALA   7           2HB      ALA   7  -8.863  -5.043   5.421
   49    H    ASP   8           H        ASP   8  -6.006  -2.742   6.972
   50    HA   ASP   8           HA       ASP   8  -3.279  -2.907   6.060
   51    HB2  ASP   8           2HB      ASP   8  -4.647  -2.482   8.726
   52    HB3  ASP   8           1HB      ASP   8  -2.892  -2.435   8.559
   53    H    GLU   9           H        GLU   9  -1.715  -4.093   7.822
   54    HA   GLU   9           HA       GLU   9  -0.929  -6.131   8.719
   55    HB2  GLU   9           2HB      GLU   9  -3.481  -5.947   9.572
   56    HB3  GLU   9           1HB      GLU   9  -3.637  -7.376   8.555
   57    HG2  GLU   9           2HG      GLU   9  -2.535  -8.667  10.049
   58    HG3  GLU   9           1HG      GLU   9  -1.238  -7.481  10.215
   59    H    LYS  10           H        LYS  10  -3.481  -6.797   6.295
   60    HA   LYS  10           HA       LYS  10  -1.934  -9.035   5.184
   61    HB2  LYS  10           2HB      LYS  10  -3.944  -8.737   3.403
   62    HB3  LYS  10           1HB      LYS  10  -4.163  -9.560   4.939
   63    HG2  LYS  10           2HG      LYS  10  -4.959  -7.360   5.900
   64    HG3  LYS  10           1HG      LYS  10  -4.900  -6.695   4.267
   65    HD2  LYS  10           2HD      LYS  10  -7.024  -7.463   4.077
   66    HD3  LYS  10           1HD      LYS  10  -6.294  -9.061   3.922
   67    HE2  LYS  10           2HE      LYS  10  -7.124  -7.790   6.566
   68    HE3  LYS  10           1HE      LYS  10  -8.048  -9.032   5.700
   69    HZ1  LYS  10           3HZ      LYS  10  -5.285  -9.273   6.776
   70    HZ2  LYS  10           1HZ      LYS  10  -5.981 -10.414   5.733
   71    HZ3  LYS  10           2HZ      LYS  10  -6.656 -10.142   7.267
   72    HA   HYP  11           HA       HYP  11   0.200  -5.984   2.626
   73    HB2  HYP  11           1HB      HYP  11   2.279  -7.618   1.964
   74    HB3  HYP  11           2HB      HYP  11   2.176  -6.782   3.525
   75    HG   HYP  11           HG       HYP  11   2.337  -8.891   4.320
   76   HD22  HYP  11          1HD       HYP  11   0.362  -8.520   5.311
   77   HD23  HYP  11          2HD       HYP  11  -0.268  -9.740   4.192
   78    HD1  HYP  11           HOD      HYP  11   0.949  -9.816   1.990
   79    H    CYS  12           H        CYS  12   1.324  -6.382   0.292
   80    HA   CYS  12           HA       CYS  12   0.125  -8.568  -1.252
   81    HB2  CYS  12           2HB      CYS  12  -1.595  -7.456  -2.301
   82    HB3  CYS  12           1HB      CYS  12  -1.592  -6.571  -0.786
   83    H    GLU  13           H        GLU  13   0.503  -7.924  -3.788
   84    HA   GLU  13           HA       GLU  13   3.391  -7.513  -4.009
   85    HB2  GLU  13           2HB      GLU  13   1.953  -9.140  -5.308
   86    HB3  GLU  13           1HB      GLU  13   1.269  -7.763  -6.169
   87    HG2  GLU  13           2HG      GLU  13   3.905  -7.234  -6.482
   88    HG3  GLU  13           1HG      GLU  13   3.959  -8.995  -6.404
   89    H    TYR  14           H        TYR  14   0.505  -5.699  -5.085
   90    HA   TYR  14           HA       TYR  14   2.019  -3.562  -6.359
   91    HB2  TYR  14           2HB      TYR  14  -0.814  -4.191  -5.594
   92    HB3  TYR  14           1HB      TYR  14  -0.426  -2.525  -5.999
   93    HD1  TYR  14           HD2      TYR  14   0.592  -5.890  -7.339
   94    HD2  TYR  14           HD1      TYR  14  -0.960  -1.974  -8.187
   95    HE1  TYR  14           HE2      TYR  14   0.514  -6.449  -9.747
   96    HE2  TYR  14           HE1      TYR  14  -1.038  -2.531 -10.606
   97    HH   TYR  14           HH       TYR  14  -0.891  -5.615 -11.787
   98    H    HIS  15           H        HIS  15   0.648  -1.274  -5.238
   99    HA   HIS  15           HA       HIS  15   1.680  -1.260  -2.425
  100    HB2  HIS  15           2HB      HIS  15   2.873  -0.051  -4.583
  101    HB3  HIS  15           1HB      HIS  15   1.868   1.252  -3.957
  102    HD1  HIS  15           HD1      HIS  15   2.621  -0.686  -1.066
  103    HD2  HIS  15           HD2      HIS  15   4.840   1.997  -3.369
  104    HE1  HIS  15           HE1      HIS  15   4.522   0.124   0.401
  105    H    ALA  16           H        ALA  16  -1.063  -1.009  -4.230
  106    HA   ALA  16           HA       ALA  16  -2.303   0.944  -2.317
  107    HB1  ALA  16           3HB      ALA  16  -1.837   1.863  -4.609
  108    HB2  ALA  16           1HB      ALA  16  -3.546   1.871  -4.174
  109    HB3  ALA  16           2HB      ALA  16  -2.920   0.636  -5.268
  110    H    ASP  17           H        ASP  17  -2.256  -2.219  -2.941
  111    HA   ASP  17           HA       ASP  17  -4.902  -3.047  -3.604
  112    HB2  ASP  17           2HB      ASP  17  -3.116  -4.636  -3.529
  113    HB3  ASP  17           1HB      ASP  17  -2.656  -4.149  -1.899
  114    H    CYS  18           H        CYS  18  -3.437  -2.370  -0.405
  115    HA   CYS  18           HA       CYS  18  -6.049  -2.608   0.957
  116    HB2  CYS  18           2HB      CYS  18  -3.321  -1.638   1.895
  117    HB3  CYS  18           1HB      CYS  18  -4.691  -1.988   2.946
  118    H    CYS  19           H        CYS  19  -6.593  -0.600   2.452
  119    HA   CYS  19           HA       CYS  19  -6.954   1.715   0.722
  120    HB2  CYS  19           2HB      CYS  19  -7.371   1.487   3.704
  121    HB3  CYS  19           1HB      CYS  19  -8.189   2.585   2.595
  122    H    ASN  20           H        ASN  20  -4.097   1.004   1.376
  123    HA   ASN  20           HA       ASN  20  -3.126   3.672   2.010
  124    HB2  ASN  20           2HB      ASN  20  -1.740   2.313   3.942
  125    HB3  ASN  20           1HB      ASN  20  -3.228   3.211   4.269
  126   HD21  ASN  20          1HD2      ASN  20  -4.988   2.005   5.067
  127   HD22  ASN  20          2HD2      ASN  20  -5.064   0.311   5.063
  128    H    CYS  21           H        CYS  21  -1.334   0.718   2.778
  129    HA   CYS  21           HA       CYS  21  -0.056   0.561   0.113
  130    HB2  CYS  21           2HB      CYS  21   1.133   1.801   2.568
  131    HB3  CYS  21           1HB      CYS  21   2.197   0.805   1.573
  132    H    CYS  22           H        CYS  22   0.665  -1.580  -0.216
  133    HA   CYS  22           HA       CYS  22   0.496  -3.409   2.155
  134    HB2  CYS  22           2HB      CYS  22  -0.269  -5.075   0.577
  135    HB3  CYS  22           1HB      CYS  22  -1.118  -3.587   0.171
  136    H    LEU  23           H        LEU  23   2.796  -3.044   2.734
  137    HA   LEU  23           HA       LEU  23   4.907  -3.603   0.783
  138    HB2  LEU  23           2HB      LEU  23   4.823  -3.328   3.801
  139    HB3  LEU  23           1HB      LEU  23   6.319  -3.502   2.884
  140    HG   LEU  23           HG       LEU  23   5.140  -1.485   1.498
  141   HD11  LEU  23          1HD1      LEU  23   3.358  -0.752   2.672
  142   HD12  LEU  23          2HD1      LEU  23   4.542  -0.057   3.777
  143   HD13  LEU  23          3HD1      LEU  23   3.834  -1.635   4.122
  144   HD21  LEU  23          3HD2      LEU  23   6.858  -0.182   2.357
  145   HD22  LEU  23          1HD2      LEU  23   7.421  -1.781   2.839
  146   HD23  LEU  23          2HD2      LEU  23   6.601  -0.747   4.007
  147    H    SER  24           H        SER  24   6.339  -5.434   0.851
  148    HA   SER  24           HA       SER  24   5.238  -7.982   0.879
  149    HB2  SER  24           2HB      SER  24   7.755  -8.590   1.457
  150    HB3  SER  24           1HB      SER  24   7.348  -7.807  -0.068
  151    HG   SER  24           HG       SER  24   9.081  -6.913   1.508
  152    H    GLY  25           H        GLY  25   6.484  -6.209   3.650
  153    HA2  GLY  25           2HA      GLY  25   6.420  -8.466   5.460
  154    HA3  GLY  25           1HA      GLY  25   6.577  -6.773   5.933
  155    H    ILE  26           H        ILE  26   4.251  -5.643   4.949
  156    HA   ILE  26           HA       ILE  26   1.853  -7.164   5.516
  157    HB   ILE  26           HB       ILE  26   3.454  -6.083   7.724
  158   HG12  ILE  26          2HG1      ILE  26   0.856  -7.468   8.172
  159   HG13  ILE  26          1HG1      ILE  26   2.100  -8.355   7.291
  160   HG21  ILE  26          1HG2      ILE  26   1.952  -4.150   7.577
  161   HG22  ILE  26          2HG2      ILE  26   1.598  -5.101   9.019
  162   HG23  ILE  26          3HG2      ILE  26   0.550  -5.219   7.606
  163   HD11  ILE  26          3HD1      ILE  26   2.871  -6.903   9.790
  164   HD12  ILE  26          1HD1      ILE  26   3.555  -8.373   9.097
  165   HD13  ILE  26          2HD1      ILE  26   2.004  -8.432   9.937
  166    H    CYS  27           H        CYS  27  -0.089  -5.664   5.556
  167    HA   CYS  27           HA       CYS  27   0.376  -3.319   3.834
  168    HB2  CYS  27           2HB      CYS  27  -1.839  -5.035   4.613
  169    HB3  CYS  27           1HB      CYS  27  -2.299  -3.339   4.732
  170    H    ALA  28           H        ALA  28   0.520  -1.218   4.546
  171    HA   ALA  28           HA       ALA  28  -0.350  -0.562   7.332
  172    HB1  ALA  28           3HB      ALA  28   1.829  -0.669   7.935
  173    HB2  ALA  28           1HB      ALA  28   2.097   0.746   6.917
  174    HB3  ALA  28           2HB      ALA  28   2.342  -0.873   6.259
  175    HA   HYP  29           HA       HYP  29  -1.681   3.277   5.642
  176    HB2  HYP  29           1HB      HYP  29  -0.923   5.087   7.555
  177    HB3  HYP  29           2HB      HYP  29  -2.273   3.950   7.768
  178    HG   HYP  29           HG       HYP  29   0.545   3.746   8.722
  179   HD22  HYP  29          1HD       HYP  29  -1.176   1.312   8.577
  180   HD23  HYP  29          2HD       HYP  29   0.595   1.461   8.528
  181    HD1  HYP  29           HOD      HYP  29  -0.520   3.107  10.622
  182    H    SER  30           H        SER  30  -0.933   5.294   4.658
  183    HA   SER  30           HA       SER  30   1.855   5.199   3.754
  184    HB2  SER  30           2HB      SER  30   0.908   7.489   2.732
  185    HB3  SER  30           1HB      SER  30   0.427   5.927   2.071
  186    HG   SER  30           HG       SER  30  -1.074   7.813   3.253
  187    H    THR  31           H        THR  31   0.014   6.890   6.207
  188    HA   THR  31           HA       THR  31   1.934   9.056   6.617
  189    HB   THR  31           HB       THR  31  -0.128   8.061   8.586
  190    HG1  THR  31           HG1      THR  31  -0.667   9.605   6.261
  191   HG21  THR  31          3HG2      THR  31  -0.450  10.509   8.898
  192   HG22  THR  31          1HG2      THR  31   0.838  10.797   7.729
  193   HG23  THR  31          2HG2      THR  31   1.193   9.979   9.252
  194    H    ASN  32           H        ASN  32   3.721   7.200   6.697
  195    HA   ASN  32           HA       ASN  32   3.951   6.111   9.473
  196    HB2  ASN  32           2HB      ASN  32   4.839   5.319   6.737
  197    HB3  ASN  32           1HB      ASN  32   5.915   4.901   8.068
  198   HD21  ASN  32          1HD2      ASN  32   5.202   2.590   7.384
  199   HD22  ASN  32          2HD2      ASN  32   3.773   1.988   8.071
  200    H    TRP  33           H        TRP  33   6.304   6.049  10.255
  201    HA   TRP  33           HA       TRP  33   7.809   8.497   9.421
  202    HB2  TRP  33           2HB      TRP  33   8.366   8.440  12.057
  203    HB3  TRP  33           1HB      TRP  33   6.972   9.303  11.422
  204    HD1  TRP  33           HD1      TRP  33   4.645   7.656  11.304
  205    HE1  TRP  33           HE1      TRP  33   3.746   6.119  13.175
  206    HE3  TRP  33           HE3      TRP  33   8.889   7.086  14.080
  207    HZ2  TRP  33           HZ2      TRP  33   4.715   4.821  15.531
  208    HZ3  TRP  33           HZ3      TRP  33   8.877   5.706  16.128
  209    HH2  TRP  33           HH2      TRP  33   6.791   4.572  16.861
  210    H    ILE  34           H        ILE  34   8.237   5.777  11.725
  211    HA   ILE  34           HA       ILE  34  10.969   5.349  10.581
  212    HB   ILE  34           HB       ILE  34   9.629   4.446  13.155
  213   HG12  ILE  34          2HG1      ILE  34  10.203   6.914  12.845
  214   HG13  ILE  34          1HG1      ILE  34  10.953   6.129  14.234
  215   HG21  ILE  34          1HG2      ILE  34  11.296   2.802  12.559
  216   HG22  ILE  34          2HG2      ILE  34  11.998   3.839  13.803
  217   HG23  ILE  34          3HG2      ILE  34  12.446   4.064  12.113
  218   HD11  ILE  34          3HD1      ILE  34  13.015   5.774  12.899
  219   HD12  ILE  34          1HD1      ILE  34  12.612   7.485  13.042
  220   HD13  ILE  34          2HD1      ILE  34  12.269   6.621  11.543
  221    H    LEU  35           H        LEU  35   7.814   3.996  10.707
  222    HA   LEU  35           HA       LEU  35   8.641   1.235  10.096
  223    HB2  LEU  35           2HB      LEU  35   6.018   2.739  10.330
  224    HB3  LEU  35           1HB      LEU  35   6.084   1.055   9.815
  225    HG   LEU  35           HG       LEU  35   7.599   0.813  11.991
  226   HD11  LEU  35          1HD1      LEU  35   7.688   3.001  12.836
  227   HD12  LEU  35          2HD1      LEU  35   6.354   2.305  13.757
  228   HD13  LEU  35          3HD1      LEU  35   6.020   3.348  12.375
  229   HD21  LEU  35          3HD2      LEU  35   4.596   1.100  12.269
  230   HD22  LEU  35          1HD2      LEU  35   5.658  -0.007  13.139
  231   HD23  LEU  35          2HD2      LEU  35   5.343  -0.254  11.422
  232    HA   PRO  36           HA       PRO  36   8.830   1.902   5.736
  233    HB2  PRO  36           2HB      PRO  36   8.213  -0.624   4.852
  234    HB3  PRO  36           1HB      PRO  36   9.789  -0.194   5.545
  235    HG2  PRO  36           2HG      PRO  36   7.464  -1.547   6.831
  236    HG3  PRO  36           1HG      PRO  36   9.196  -1.896   6.974
  237    HD2  PRO  36           2HD      PRO  36   7.832  -0.537   8.872
  238    HD3  PRO  36           1HD      PRO  36   9.547  -0.223   8.518
  239    H    GLY  37           H        GLY  37   7.217   3.069   4.740
  240    HA2  GLY  37           2HA      GLY  37   4.440   1.946   4.769
  241    HA3  GLY  37           1HA      GLY  37   4.801   3.670   4.709
  242    H    CYS  38           H        CYS  38   5.043   4.626   2.719
  243    HA   CYS  38           HA       CYS  38   4.986   2.791   0.340
  244    HB2  CYS  38           2HB      CYS  38   4.078   5.664   0.403
  245    HB3  CYS  38           1HB      CYS  38   3.591   4.388  -0.711
  246    H    SER  39           H        SER  39   6.365   5.844   1.587
  247    HA   SER  39           HA       SER  39   8.018   6.350  -0.740
  248    HB2  SER  39           2HB      SER  39   9.024   7.469   1.734
  249    HB3  SER  39           1HB      SER  39   8.254   8.300   0.386
  250    HG   SER  39           HG       SER  39   7.054   8.476   2.371
  251    H    THR  40           H        THR  40   8.765   3.925  -0.732
  252    HA   THR  40           HA       THR  40  11.486   3.849   0.388
  253    HB   THR  40           HB       THR  40   9.978   3.164   2.259
  254    HG1  THR  40           HG1      THR  40  11.379   1.692   2.805
  255   HG21  THR  40          3HG2      THR  40   8.395   1.510   2.081
  256   HG22  THR  40          1HG2      THR  40   9.312   0.610   0.874
  257   HG23  THR  40          2HG2      THR  40   8.391   2.038   0.399
  258    H    SER  41           H        SER  41  12.787   2.342  -0.720
  259    HA   SER  41           HA       SER  41  11.540   1.051  -3.115
  260    HB2  SER  41           2HB      SER  41  14.168   0.867  -3.555
  261    HB3  SER  41           1HB      SER  41  13.321   2.393  -3.799
  262    HG   SER  41           HG       SER  41  15.253   2.539  -2.481
  263    H    SER  42           H        SER  42  13.694   0.391  -0.358
  264    HA   SER  42           HA       SER  42  14.345  -2.318  -0.840
  265    HB2  SER  42           2HB      SER  42  13.879  -0.703   1.681
  266    HB3  SER  42           1HB      SER  42  14.535  -2.338   1.711
  267    HG   SER  42           HG       SER  42  15.691   0.049   0.892
  268    H    PHE  43           H        PHE  43  13.469  -4.231   0.410
  269    HA   PHE  43           HA       PHE  43  10.492  -4.093   0.744
  270    HB2  PHE  43           2HB      PHE  43  10.676  -6.535  -0.169
  271    HB3  PHE  43           1HB      PHE  43  10.814  -5.202  -1.312
  272    HD1  PHE  43           HD1      PHE  43  12.905  -7.442   0.853
  273    HD2  PHE  43           HD2      PHE  43  12.712  -5.022  -2.693
  274    HE1  PHE  43           HE1      PHE  43  15.165  -8.227   0.190
  275    HE2  PHE  43           HE2      PHE  43  14.968  -5.810  -3.352
  276    HZ   PHE  43           HZ       PHE  43  16.196  -7.412  -1.912
  277    H    PHE  44           H        PHE  44  12.571  -3.920   2.842
  278    HA   PHE  44           HA       PHE  44  12.215  -6.551   4.232
  279    HB2  PHE  44           2HB      PHE  44  14.496  -5.245   3.693
  280    HB3  PHE  44           1HB      PHE  44  14.073  -4.407   5.185
  281    HD1  PHE  44           HD1      PHE  44  14.020  -7.934   3.870
  282    HD2  PHE  44           HD2      PHE  44  14.962  -5.301   7.138
  283    HE1  PHE  44           HE1      PHE  44  14.852  -9.863   5.187
  284    HE2  PHE  44           HE2      PHE  44  15.793  -7.230   8.451
  285    HZ   PHE  44           HZ       PHE  44  15.736  -9.510   7.477
  286    H    LYS  45           H        LYS  45  11.752  -6.403   6.577
  287    HA   LYS  45           HA       LYS  45  10.063  -4.013   7.228
  288    HB2  LYS  45           2HB      LYS  45   8.714  -5.578   8.539
  289    HB3  LYS  45           1HB      LYS  45   8.930  -6.227   6.914
  290    HG2  LYS  45           2HG      LYS  45  11.147  -7.163   8.397
  291    HG3  LYS  45           1HG      LYS  45   9.750  -7.364   9.455
  292    HD2  LYS  45           2HD      LYS  45   9.461  -8.188   6.593
  293    HD3  LYS  45           1HD      LYS  45  10.409  -9.225   7.657
  294    HE2  LYS  45           2HE      LYS  45   7.770  -8.282   8.708
  295    HE3  LYS  45           1HE      LYS  45   7.743  -9.517   7.433
  296    HZ1  LYS  45           3HZ      LYS  45   9.342 -10.816   8.707
  297    HZ2  LYS  45           1HZ      LYS  45   7.939 -10.540   9.615
  298    HZ3  LYS  45           2HZ      LYS  45   9.344  -9.646   9.939
  299    H    ILE  46           H        ILE  46  13.039  -4.531   7.807
  300    HA   ILE  46           HA       ILE  46  12.897  -3.813  10.688
  301    HB   ILE  46           HB       ILE  46  14.500  -6.092   9.481
  302   HG12  ILE  46          2HG1      ILE  46  12.291  -6.075  11.563
  303   HG13  ILE  46          1HG1      ILE  46  12.090  -6.560   9.881
  304   HG21  ILE  46          1HG2      ILE  46  14.379  -5.210  12.379
  305   HG22  ILE  46          2HG2      ILE  46  15.697  -4.785  11.285
  306   HG23  ILE  46          3HG2      ILE  46  15.395  -6.474  11.688
  307   HD11  ILE  46          3HD1      ILE  46  13.733  -8.371  10.192
  308   HD12  ILE  46          1HD1      ILE  46  12.415  -8.528  11.352
  309   HD13  ILE  46          2HD1      ILE  46  13.970  -7.878  11.869
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1 -14.149   0.249 -13.343
    2    H2   GLY   1           2H       GLY   1 -15.748   0.744 -13.638
    3    H3   GLY   1           3H       GLY   1 -14.971  -0.315 -14.711
    4    HA2  GLY   1           2HA      GLY   1 -16.603  -1.419 -13.230
    5    HA3  GLY   1           1HA      GLY   1 -14.965  -2.068 -13.115
    6    HA   HYP   2           HA       HYP   2 -16.442  -0.503  -8.948
    7    HB2  HYP   2           1HB      HYP   2 -16.790  -2.904  -7.688
    8    HB3  HYP   2           2HB      HYP   2 -18.091  -2.084  -8.571
    9    HG   HYP   2           HG       HYP   2 -16.378  -4.360  -9.386
   10   HD22  HYP   2          1HD       HYP   2 -17.602  -2.827 -11.599
   11   HD23  HYP   2          2HD       HYP   2 -16.030  -3.650 -11.515
   12    HD1  HYP   2           HOD      HYP   2 -18.302  -5.208  -9.771
   13    H    SER   3           H        SER   3 -14.658   0.019  -7.690
   14    HA   SER   3           HA       SER   3 -12.444  -1.999  -7.469
   15    HB2  SER   3           2HB      SER   3 -12.288   1.025  -7.692
   16    HB3  SER   3           1HB      SER   3 -10.907  -0.066  -7.574
   17    HG   SER   3           HG       SER   3 -11.085  -0.253  -9.653
   18    H    PHE   4           H        PHE   4 -11.659  -2.342  -5.414
   19    HA   PHE   4           HA       PHE   4 -12.608  -0.551  -3.203
   20    HB2  PHE   4           2HB      PHE   4 -13.591  -3.034  -3.731
   21    HB3  PHE   4           1HB      PHE   4 -12.224  -3.465  -2.703
   22    HD1  PHE   4           HD1      PHE   4 -14.949  -0.858  -2.801
   23    HD2  PHE   4           HD2      PHE   4 -12.630  -3.583  -0.412
   24    HE1  PHE   4           HE1      PHE   4 -16.242  -0.198  -0.788
   25    HE2  PHE   4           HE2      PHE   4 -13.925  -2.920   1.594
   26    HZ   PHE   4           HZ       PHE   4 -15.731  -1.229   1.408
   27    H    CYS   5           H        CYS   5 -11.193  -1.672  -1.114
   28    HA   CYS   5           HA       CYS   5  -8.364  -1.911  -2.047
   29    HB2  CYS   5           2HB      CYS   5  -7.709  -0.205  -0.392
   30    HB3  CYS   5           1HB      CYS   5  -8.851   0.453  -1.558
   31    H    LYS   6           H        LYS   6  -6.940  -2.822  -0.407
   32    HA   LYS   6           HA       LYS   6  -8.266  -4.842   1.261
   33    HB2  LYS   6           2HB      LYS   6  -6.073  -4.813  -0.288
   34    HB3  LYS   6           1HB      LYS   6  -5.313  -4.331   1.226
   35    HG2  LYS   6           2HG      LYS   6  -5.158  -6.595   1.500
   36    HG3  LYS   6           1HG      LYS   6  -6.791  -6.391   2.132
   37    HD2  LYS   6           2HD      LYS   6  -7.315  -7.979   0.577
   38    HD3  LYS   6           1HD      LYS   6  -7.324  -6.605  -0.529
   39    HE2  LYS   6           2HE      LYS   6  -5.820  -7.928  -1.688
   40    HE3  LYS   6           1HE      LYS   6  -4.666  -7.195  -0.559
   41    HZ1  LYS   6           3HZ      LYS   6  -5.416  -9.074   1.011
   42    HZ2  LYS   6           1HZ      LYS   6  -4.334  -9.458  -0.237
   43    HZ3  LYS   6           2HZ      LYS   6  -5.980  -9.837  -0.397
   44    H    ALA   7           H        ALA   7  -7.401  -5.118   3.565
   45    HA   ALA   7           HA       ALA   7  -7.347  -2.466   4.935
   46    HB1  ALA   7           3HB      ALA   7  -8.926  -3.567   6.128
   47    HB2  ALA   7           1HB      ALA   7  -7.617  -4.534   6.810
   48    HB3  ALA   7           2HB      ALA   7  -8.493  -5.108   5.391
   49    H    ASP   8           H        ASP   8  -6.050  -2.631   7.118
   50    HA   ASP   8           HA       ASP   8  -3.260  -2.828   6.577
   51    HB2  ASP   8           2HB      ASP   8  -4.915  -2.844   9.117
   52    HB3  ASP   8           1HB      ASP   8  -3.156  -2.733   9.128
   53    H    GLU   9           H        GLU   9  -1.805  -4.281   8.022
   54    HA   GLU   9           HA       GLU   9  -1.031  -6.388   8.695
   55    HB2  GLU   9           2HB      GLU   9  -3.222  -6.401   9.920
   56    HB3  GLU   9           1HB      GLU   9  -3.947  -7.180   8.521
   57    HG2  GLU   9           2HG      GLU   9  -2.047  -8.941   8.796
   58    HG3  GLU   9           1HG      GLU   9  -1.901  -8.279  10.426
   59    H    LYS  10           H        LYS  10  -3.623  -6.842   6.261
   60    HA   LYS  10           HA       LYS  10  -2.129  -9.012   4.954
   61    HB2  LYS  10           2HB      LYS  10  -4.062  -8.709   3.237
   62    HB3  LYS  10           1HB      LYS  10  -4.468  -9.284   4.845
   63    HG2  LYS  10           2HG      LYS  10  -4.547  -6.432   4.928
   64    HG3  LYS  10           1HG      LYS  10  -5.400  -6.934   3.480
   65    HD2  LYS  10           2HD      LYS  10  -6.791  -6.770   5.640
   66    HD3  LYS  10           1HD      LYS  10  -6.950  -8.256   4.704
   67    HE2  LYS  10           2HE      LYS  10  -6.441  -9.363   6.629
   68    HE3  LYS  10           1HE      LYS  10  -4.791  -8.748   6.444
   69    HZ1  LYS  10           3HZ      LYS  10  -5.650  -8.063   8.564
   70    HZ2  LYS  10           1HZ      LYS  10  -7.033  -7.388   7.846
   71    HZ3  LYS  10           2HZ      LYS  10  -5.507  -6.682   7.561
   72    HA   HYP  11           HA       HYP  11   0.149  -5.874   2.654
   73    HB2  HYP  11           1HB      HYP  11   2.087  -7.592   1.771
   74    HB3  HYP  11           2HB      HYP  11   2.099  -6.856   3.381
   75    HG   HYP  11           HG       HYP  11   2.142  -9.008   4.044
   76   HD22  HYP  11          1HD       HYP  11   0.224  -8.574   5.115
   77   HD23  HYP  11          2HD       HYP  11  -0.499  -9.702   3.954
   78    HD1  HYP  11           HOD      HYP  11   0.711  -9.655   1.652
   79    H    CYS  12           H        CYS  12   1.130  -6.052   0.258
   80    HA   CYS  12           HA       CYS  12  -0.594  -7.801  -1.454
   81    HB2  CYS  12           2HB      CYS  12  -1.412  -5.899  -2.678
   82    HB3  CYS  12           1HB      CYS  12  -1.653  -5.547  -0.970
   83    H    GLU  13           H        GLU  13   0.079  -7.186  -3.886
   84    HA   GLU  13           HA       GLU  13   2.964  -7.743  -4.060
   85    HB2  GLU  13           2HB      GLU  13   0.629  -8.338  -5.517
   86    HB3  GLU  13           1HB      GLU  13   1.542  -7.259  -6.567
   87    HG2  GLU  13           2HG      GLU  13   3.576  -8.782  -6.031
   88    HG3  GLU  13           1HG      GLU  13   2.376  -9.939  -5.453
   89    H    TYR  14           H        TYR  14   0.727  -5.149  -5.015
   90    HA   TYR  14           HA       TYR  14   3.019  -3.474  -5.927
   91    HB2  TYR  14           2HB      TYR  14   0.056  -2.871  -6.141
   92    HB3  TYR  14           1HB      TYR  14   1.357  -2.325  -7.203
   93    HD1  TYR  14           HD2      TYR  14   2.846  -4.636  -7.962
   94    HD2  TYR  14           HD1      TYR  14  -1.390  -4.352  -7.267
   95    HE1  TYR  14           HE2      TYR  14   2.467  -6.614  -9.403
   96    HE2  TYR  14           HE1      TYR  14  -1.756  -6.327  -8.709
   97    HH   TYR  14           HH       TYR  14   0.788  -8.356  -9.700
   98    H    HIS  15           H        HIS  15   1.106  -1.085  -5.358
   99    HA   HIS  15           HA       HIS  15   1.438  -1.015  -2.385
  100    HB2  HIS  15           2HB      HIS  15   2.910   0.393  -4.384
  101    HB3  HIS  15           1HB      HIS  15   1.899   1.576  -3.553
  102    HD1  HIS  15           HD1      HIS  15   4.386   2.368  -2.655
  103    HD2  HIS  15           HD2      HIS  15   2.875  -1.226  -1.145
  104    HE1  HIS  15           HE1      HIS  15   5.675   1.870  -0.522
  105    H    ALA  16           H        ALA  16  -0.871  -0.944  -4.729
  106    HA   ALA  16           HA       ALA  16  -2.439   1.213  -3.350
  107    HB1  ALA  16           3HB      ALA  16  -2.753   0.079  -6.137
  108    HB2  ALA  16           1HB      ALA  16  -1.804   1.519  -5.761
  109    HB3  ALA  16           2HB      ALA  16  -3.546   1.510  -5.480
  110    H    ASP  17           H        ASP  17  -2.165  -2.057  -3.358
  111    HA   ASP  17           HA       ASP  17  -4.819  -3.058  -3.780
  112    HB2  ASP  17           2HB      ASP  17  -2.631  -4.343  -3.579
  113    HB3  ASP  17           1HB      ASP  17  -2.666  -4.027  -1.847
  114    H    CYS  18           H        CYS  18  -3.131  -1.928  -0.854
  115    HA   CYS  18           HA       CYS  18  -5.480  -2.196   0.881
  116    HB2  CYS  18           2HB      CYS  18  -2.634  -1.275   1.034
  117    HB3  CYS  18           1HB      CYS  18  -3.735  -0.703   2.284
  118    H    CYS  19           H        CYS  19  -6.222  -0.194   2.142
  119    HA   CYS  19           HA       CYS  19  -6.817   2.005   0.260
  120    HB2  CYS  19           2HB      CYS  19  -7.887   0.857   2.690
  121    HB3  CYS  19           1HB      CYS  19  -7.701   2.600   2.878
  122    H    ASN  20           H        ASN  20  -4.028   1.477   1.333
  123    HA   ASN  20           HA       ASN  20  -3.278   4.231   1.952
  124    HB2  ASN  20           2HB      ASN  20  -2.064   3.014   4.094
  125    HB3  ASN  20           1HB      ASN  20  -3.614   3.851   4.203
  126   HD21  ASN  20          1HD2      ASN  20  -5.433   2.592   4.766
  127   HD22  ASN  20          2HD2      ASN  20  -5.425   0.898   4.852
  128    H    CYS  21           H        CYS  21  -1.637   1.214   2.917
  129    HA   CYS  21           HA       CYS  21   0.020   1.129   0.473
  130    HB2  CYS  21           2HB      CYS  21   0.872   2.289   3.093
  131    HB3  CYS  21           1HB      CYS  21   2.045   1.288   2.236
  132    H    CYS  22           H        CYS  22   0.975  -0.982   0.268
  133    HA   CYS  22           HA       CYS  22   0.781  -2.765   2.652
  134    HB2  CYS  22           2HB      CYS  22  -0.182  -4.489   0.940
  135    HB3  CYS  22           1HB      CYS  22  -1.259  -3.271   1.607
  136    H    LEU  23           H        LEU  23   3.084  -2.841   2.744
  137    HA   LEU  23           HA       LEU  23   4.663  -3.551   0.379
  138    HB2  LEU  23           2HB      LEU  23   5.129  -3.172   3.339
  139    HB3  LEU  23           1HB      LEU  23   6.405  -3.842   2.325
  140    HG   LEU  23           HG       LEU  23   5.015  -1.333   1.442
  141   HD11  LEU  23          1HD1      LEU  23   6.721  -1.653   3.832
  142   HD12  LEU  23          2HD1      LEU  23   5.594  -0.365   3.409
  143   HD13  LEU  23          3HD1      LEU  23   7.219  -0.372   2.727
  144   HD21  LEU  23          3HD2      LEU  23   7.738  -2.602   1.116
  145   HD22  LEU  23          1HD2      LEU  23   7.427  -0.926   0.660
  146   HD23  LEU  23          2HD2      LEU  23   6.547  -2.234  -0.131
  147    H    SER  24           H        SER  24   5.930  -5.582   0.261
  148    HA   SER  24           HA       SER  24   4.487  -7.953   0.382
  149    HB2  SER  24           2HB      SER  24   7.332  -8.288   1.020
  150    HB3  SER  24           1HB      SER  24   6.453  -8.766  -0.427
  151    HG   SER  24           HG       SER  24   7.650  -7.191  -1.223
  152    H    GLY  25           H        GLY  25   6.300  -6.424   3.016
  153    HA2  GLY  25           2HA      GLY  25   6.232  -8.674   4.802
  154    HA3  GLY  25           1HA      GLY  25   6.459  -6.994   5.287
  155    H    ILE  26           H        ILE  26   4.139  -5.747   4.651
  156    HA   ILE  26           HA       ILE  26   1.730  -7.235   5.300
  157    HB   ILE  26           HB       ILE  26   3.527  -6.342   7.423
  158   HG12  ILE  26          2HG1      ILE  26   0.916  -7.706   7.905
  159   HG13  ILE  26          1HG1      ILE  26   2.150  -8.558   6.979
  160   HG21  ILE  26          1HG2      ILE  26   0.646  -5.403   7.575
  161   HG22  ILE  26          2HG2      ILE  26   2.065  -4.359   7.527
  162   HG23  ILE  26          3HG2      ILE  26   1.781  -5.401   8.922
  163   HD11  ILE  26          3HD1      ILE  26   3.772  -8.178   8.812
  164   HD12  ILE  26          1HD1      ILE  26   2.365  -9.079   9.374
  165   HD13  ILE  26          2HD1      ILE  26   2.515  -7.359   9.744
  166    H    CYS  27           H        CYS  27  -0.155  -5.729   5.597
  167    HA   CYS  27           HA       CYS  27   0.067  -3.341   3.923
  168    HB2  CYS  27           2HB      CYS  27  -1.935  -4.817   4.099
  169    HB3  CYS  27           1HB      CYS  27  -2.149  -4.289   5.760
  170    H    ALA  28           H        ALA  28   0.121  -1.165   4.637
  171    HA   ALA  28           HA       ALA  28   0.194  -0.719   7.592
  172    HB1  ALA  28           3HB      ALA  28   2.470  -0.804   7.057
  173    HB2  ALA  28           1HB      ALA  28   2.140   0.919   6.898
  174    HB3  ALA  28           2HB      ALA  28   2.220  -0.100   5.459
  175    HA   HYP  29           HA       HYP  29  -2.403   2.720   6.762
  176    HB2  HYP  29           1HB      HYP  29  -1.675   4.350   8.846
  177    HB3  HYP  29           2HB      HYP  29  -2.689   2.907   9.050
  178    HG   HYP  29           HG       HYP  29   0.241   3.254   9.459
  179   HD22  HYP  29          1HD       HYP  29  -0.948   0.528   9.145
  180   HD23  HYP  29          2HD       HYP  29   0.715   1.091   8.854
  181    HD1  HYP  29           HOD      HYP  29  -1.595   1.625  10.921
  182    H    SER  30           H        SER  30  -2.266   4.771   5.723
  183    HA   SER  30           HA       SER  30   0.306   5.523   4.587
  184    HB2  SER  30           2HB      SER  30  -2.547   6.430   4.480
  185    HB3  SER  30           1HB      SER  30  -1.306   7.507   3.837
  186    HG   SER  30           HG       SER  30  -1.457   6.272   2.146
  187    H    THR  31           H        THR  31   0.914   5.765   7.201
  188    HA   THR  31           HA       THR  31   0.671   8.699   7.797
  189    HB   THR  31           HB       THR  31  -0.394   6.863   9.293
  190    HG1  THR  31           HG1      THR  31  -0.224   8.276  10.877
  191   HG21  THR  31          3HG2      THR  31   1.087   5.818  10.904
  192   HG22  THR  31          1HG2      THR  31   2.490   6.647  10.226
  193   HG23  THR  31          2HG2      THR  31   1.646   5.416   9.284
  194    H    ASN  32           H        ASN  32   2.774   6.903   6.282
  195    HA   ASN  32           HA       ASN  32   5.185   7.496   7.920
  196    HB2  ASN  32           2HB      ASN  32   4.923   6.075   5.252
  197    HB3  ASN  32           1HB      ASN  32   6.299   6.036   6.350
  198   HD21  ASN  32          1HD2      ASN  32   4.444   5.795   8.776
  199   HD22  ASN  32          2HD2      ASN  32   3.896   4.191   8.726
  200    H    TRP  33           H        TRP  33   6.946   8.686   6.920
  201    HA   TRP  33           HA       TRP  33   6.205  10.339   4.549
  202    HB2  TRP  33           2HB      TRP  33   7.432  12.243   5.977
  203    HB3  TRP  33           1HB      TRP  33   5.712  11.940   6.163
  204    HD1  TRP  33           HD1      TRP  33   5.317   9.834   8.199
  205    HE1  TRP  33           HE1      TRP  33   6.314   9.895  10.579
  206    HE3  TRP  33           HE3      TRP  33   9.135  13.146   7.495
  207    HZ2  TRP  33           HZ2      TRP  33   8.426  11.193  12.004
  208    HZ3  TRP  33           HZ3      TRP  33  10.611  13.793   9.369
  209    HH2  TRP  33           HH2      TRP  33  10.266  12.819  11.635
  210    H    ILE  34           H        ILE  34   9.042  10.478   6.766
  211    HA   ILE  34           HA       ILE  34  10.820  10.223   4.424
  212    HB   ILE  34           HB       ILE  34  12.588  10.639   6.109
  213   HG12  ILE  34          2HG1      ILE  34  10.392  10.750   8.179
  214   HG13  ILE  34          1HG1      ILE  34  11.363   9.301   7.921
  215   HG21  ILE  34          1HG2      ILE  34  11.720  12.673   5.359
  216   HG22  ILE  34          2HG2      ILE  34  11.458  12.809   7.098
  217   HG23  ILE  34          3HG2      ILE  34  10.125  12.357   6.037
  218   HD11  ILE  34          3HD1      ILE  34  12.958  10.178   9.230
  219   HD12  ILE  34          1HD1      ILE  34  12.039  11.674   9.396
  220   HD13  ILE  34          2HD1      ILE  34  13.172  11.479   8.058
  221    H    LEU  35           H        LEU  35   9.362   8.099   6.658
  222    HA   LEU  35           HA       LEU  35  11.466   6.069   6.722
  223    HB2  LEU  35           2HB      LEU  35   8.665   6.465   7.698
  224    HB3  LEU  35           1HB      LEU  35   9.203   4.799   7.503
  225    HG   LEU  35           HG       LEU  35  11.360   5.735   8.783
  226   HD11  LEU  35          1HD1      LEU  35  10.699   7.383  10.486
  227   HD12  LEU  35          2HD1      LEU  35   9.080   7.467   9.790
  228   HD13  LEU  35          3HD1      LEU  35  10.467   8.052   8.872
  229   HD21  LEU  35          3HD2      LEU  35  10.271   4.985  10.904
  230   HD22  LEU  35          1HD2      LEU  35   9.977   3.872   9.567
  231   HD23  LEU  35          2HD2      LEU  35   8.714   4.995  10.076
  232    HA   PRO  36           HA       PRO  36  10.443   3.982   2.983
  233    HB2  PRO  36           2HB      PRO  36  10.840   1.350   3.670
  234    HB3  PRO  36           1HB      PRO  36  12.170   2.497   3.424
  235    HG2  PRO  36           2HG      PRO  36  10.969   1.506   5.955
  236    HG3  PRO  36           1HG      PRO  36  12.659   1.871   5.570
  237    HD2  PRO  36           2HD      PRO  36  11.028   3.539   7.011
  238    HD3  PRO  36           1HD      PRO  36  12.429   4.092   6.069
  239    H    GLY  37           H        GLY  37   8.078   4.723   3.613
  240    HA2  GLY  37           2HA      GLY  37   6.385   2.320   4.186
  241    HA3  GLY  37           1HA      GLY  37   5.892   3.977   4.515
  242    H    CYS  38           H        CYS  38   5.710   5.421   2.531
  243    HA   CYS  38           HA       CYS  38   4.696   3.816   0.190
  244    HB2  CYS  38           2HB      CYS  38   3.749   6.489   1.237
  245    HB3  CYS  38           1HB      CYS  38   3.003   5.540  -0.051
  246    H    SER  39           H        SER  39   7.438   5.191   0.664
  247    HA   SER  39           HA       SER  39   7.423   7.370  -1.307
  248    HB2  SER  39           2HB      SER  39   9.636   5.934   0.201
  249    HB3  SER  39           1HB      SER  39   9.852   7.386  -0.774
  250    HG   SER  39           HG       SER  39   9.488   7.715   1.588
  251    H    THR  40           H        THR  40   6.408   5.117  -2.567
  252    HA   THR  40           HA       THR  40   8.114   4.781  -4.847
  253    HB   THR  40           HB       THR  40   9.472   3.498  -3.186
  254    HG1  THR  40           HG1      THR  40   9.800   1.893  -4.561
  255   HG21  THR  40          3HG2      THR  40   7.497   2.828  -1.771
  256   HG22  THR  40          1HG2      THR  40   8.608   1.499  -2.148
  257   HG23  THR  40          2HG2      THR  40   7.083   1.655  -3.018
  258    H    SER  41           H        SER  41   7.012   3.556  -6.461
  259    HA   SER  41           HA       SER  41   4.308   2.484  -5.707
  260    HB2  SER  41           2HB      SER  41   5.133   4.528  -7.757
  261    HB3  SER  41           1HB      SER  41   3.740   3.513  -8.083
  262    HG   SER  41           HG       SER  41   4.012   5.623  -6.381
  263    H    SER  42           H        SER  42   6.508   2.694  -8.549
  264    HA   SER  42           HA       SER  42   6.357  -0.274  -8.835
  265    HB2  SER  42           2HB      SER  42   6.068   0.603 -11.422
  266    HB3  SER  42           1HB      SER  42   4.737   0.090 -10.394
  267    HG   SER  42           HG       SER  42   4.658   2.268 -11.470
  268    H    PHE  43           H        PHE  43   8.604   1.111  -7.921
  269    HA   PHE  43           HA       PHE  43  10.374   1.784 -10.180
  270    HB2  PHE  43           2HB      PHE  43  10.303   1.979  -7.245
  271    HB3  PHE  43           1HB      PHE  43  11.907   1.603  -7.867
  272    HD1  PHE  43           HD2      PHE  43   9.025   3.782  -8.913
  273    HD2  PHE  43           HD1      PHE  43  13.244   3.446  -8.208
  274    HE1  PHE  43           HE2      PHE  43   9.318   6.153  -9.580
  275    HE2  PHE  43           HE1      PHE  43  13.554   5.818  -8.870
  276    HZ   PHE  43           HZ       PHE  43  11.586   7.174  -9.562
  277    H    PHE  44           H        PHE  44  10.163  -0.422 -11.198
  278    HA   PHE  44           HA       PHE  44  11.402  -2.696  -9.803
  279    HB2  PHE  44           2HB      PHE  44   9.916  -2.136 -12.307
  280    HB3  PHE  44           1HB      PHE  44  11.142  -3.394 -12.455
  281    HD1  PHE  44           HD2      PHE  44   8.452  -2.298 -10.084
  282    HD2  PHE  44           HD1      PHE  44  10.556  -5.569 -11.901
  283    HE1  PHE  44           HE2      PHE  44   6.950  -3.901  -8.934
  284    HE2  PHE  44           HE1      PHE  44   9.057  -7.173 -10.753
  285    HZ   PHE  44           HZ       PHE  44   7.255  -6.342  -9.267
  286    H    LYS  45           H        LYS  45  13.428  -1.185  -9.526
  287    HA   LYS  45           HA       LYS  45  15.367  -1.880 -11.683
  288    HB2  LYS  45           2HB      LYS  45  14.364   0.363 -12.149
  289    HB3  LYS  45           1HB      LYS  45  14.904   0.909 -10.560
  290    HG2  LYS  45           2HG      LYS  45  17.235   0.572 -11.180
  291    HG3  LYS  45           1HG      LYS  45  16.756  -0.139 -12.722
  292    HD2  LYS  45           2HD      LYS  45  17.376   2.149 -13.142
  293    HD3  LYS  45           1HD      LYS  45  15.619   2.045 -13.279
  294    HE2  LYS  45           2HE      LYS  45  15.687   2.658 -10.693
  295    HE3  LYS  45           1HE      LYS  45  17.282   3.314 -11.117
  296    HZ1  LYS  45           3HZ      LYS  45  15.419   4.913 -11.440
  297    HZ2  LYS  45           1HZ      LYS  45  14.798   3.893 -12.643
  298    HZ3  LYS  45           2HZ      LYS  45  16.323   4.615 -12.847
  299    H    ILE  46           H        ILE  46  17.626  -1.580 -10.908
  300    HA   ILE  46           HA       ILE  46  17.951  -2.428  -8.132
  301    HB   ILE  46           HB       ILE  46  20.003  -1.645 -10.240
  302   HG12  ILE  46          2HG1      ILE  46  19.297  -4.496  -9.679
  303   HG13  ILE  46          1HG1      ILE  46  18.152  -3.565 -10.643
  304   HG21  ILE  46          1HG2      ILE  46  21.565  -2.892  -8.954
  305   HG22  ILE  46          2HG2      ILE  46  20.293  -3.634  -7.982
  306   HG23  ILE  46          3HG2      ILE  46  20.681  -1.926  -7.772
  307   HD11  ILE  46          3HD1      ILE  46  19.671  -4.532 -12.209
  308   HD12  ILE  46          1HD1      ILE  46  21.069  -4.091 -11.229
  309   HD13  ILE  46          2HD1      ILE  46  20.147  -2.839 -12.063
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1 -19.179   4.060   4.894
    2    H2   GLY   1           2H       GLY   1 -17.751   4.687   5.559
    3    H3   GLY   1           3H       GLY   1 -18.993   4.129   6.575
    4    HA2  GLY   1           2HA      GLY   1 -17.752   2.271   6.678
    5    HA3  GLY   1           1HA      GLY   1 -18.556   1.927   5.148
    6    HA   HYP   2           HA       HYP   2 -13.916   2.226   4.556
    7    HB2  HYP   2           1HB      HYP   2 -13.463  -0.385   3.890
    8    HB3  HYP   2           2HB      HYP   2 -13.397   0.213   5.560
    9    HG   HYP   2           HG       HYP   2 -15.571  -1.234   4.139
   10   HD22  HYP   2          1HD       HYP   2 -16.340   0.290   6.548
   11   HD23  HYP   2          2HD       HYP   2 -17.258  -0.080   5.073
   12    HD1  HYP   2           HOD      HYP   2 -14.659  -2.517   5.652
   13    H    SER   3           H        SER   3 -12.896   2.201   2.459
   14    HA   SER   3           HA       SER   3 -14.801   2.213   0.207
   15    HB2  SER   3           2HB      SER   3 -12.819   3.852   0.851
   16    HB3  SER   3           1HB      SER   3 -11.837   2.671  -0.014
   17    HG   SER   3           HG       SER   3 -12.641   4.326  -1.390
   18    H    PHE   4           H        PHE   4 -13.345   1.362  -1.930
   19    HA   PHE   4           HA       PHE   4 -13.268  -1.557  -1.550
   20    HB2  PHE   4           2HB      PHE   4 -13.899   0.249  -3.586
   21    HB3  PHE   4           1HB      PHE   4 -12.395  -0.486  -4.134
   22    HD1  PHE   4           HD1      PHE   4 -12.304  -3.155  -3.657
   23    HD2  PHE   4           HD2      PHE   4 -15.871  -0.823  -4.193
   24    HE1  PHE   4           HE1      PHE   4 -13.541  -5.198  -4.307
   25    HE2  PHE   4           HE2      PHE   4 -17.109  -2.869  -4.844
   26    HZ   PHE   4           HZ       PHE   4 -15.945  -5.056  -4.901
   27    H    CYS   5           H        CYS   5 -11.357  -1.939  -0.274
   28    HA   CYS   5           HA       CYS   5  -8.880  -2.083  -1.796
   29    HB2  CYS   5           2HB      CYS   5  -7.724  -0.516  -0.066
   30    HB3  CYS   5           1HB      CYS   5  -8.634   0.218  -1.380
   31    H    LYS   6           H        LYS   6  -7.090  -3.029  -0.452
   32    HA   LYS   6           HA       LYS   6  -8.076  -5.098   1.322
   33    HB2  LYS   6           2HB      LYS   6  -6.053  -4.982  -0.344
   34    HB3  LYS   6           1HB      LYS   6  -5.195  -4.260   1.017
   35    HG2  LYS   6           2HG      LYS   6  -4.820  -6.324   1.816
   36    HG3  LYS   6           1HG      LYS   6  -6.554  -6.507   2.063
   37    HD2  LYS   6           2HD      LYS   6  -5.141  -7.099  -0.551
   38    HD3  LYS   6           1HD      LYS   6  -5.527  -8.323   0.657
   39    HE2  LYS   6           2HE      LYS   6  -7.644  -8.484  -0.137
   40    HE3  LYS   6           1HE      LYS   6  -7.892  -6.743   0.099
   41    HZ1  LYS   6           3HZ      LYS   6  -6.306  -6.620  -1.989
   42    HZ2  LYS   6           1HZ      LYS   6  -7.989  -6.847  -2.172
   43    HZ3  LYS   6           2HZ      LYS   6  -6.936  -8.183  -2.272
   44    H    ALA   7           H        ALA   7  -7.275  -5.388   3.558
   45    HA   ALA   7           HA       ALA   7  -7.271  -2.807   5.053
   46    HB1  ALA   7           3HB      ALA   7  -8.496  -3.982   6.547
   47    HB2  ALA   7           1HB      ALA   7  -7.327  -5.301   6.581
   48    HB3  ALA   7           2HB      ALA   7  -8.572  -5.257   5.331
   49    H    ASP   8           H        ASP   8  -5.960  -3.084   7.234
   50    HA   ASP   8           HA       ASP   8  -3.167  -3.075   6.608
   51    HB2  ASP   8           2HB      ASP   8  -4.672  -3.331   9.233
   52    HB3  ASP   8           1HB      ASP   8  -2.960  -2.922   9.102
   53    H    GLU   9           H        GLU   9  -1.628  -4.473   8.086
   54    HA   GLU   9           HA       GLU   9  -0.716  -6.561   8.672
   55    HB2  GLU   9           2HB      GLU   9  -3.475  -7.741   8.391
   56    HB3  GLU   9           1HB      GLU   9  -2.184  -8.223   9.490
   57    HG2  GLU   9           2HG      GLU   9  -2.502  -5.730  10.380
   58    HG3  GLU   9           1HG      GLU   9  -4.123  -5.966   9.714
   59    H    LYS  10           H        LYS  10  -3.322  -7.102   6.325
   60    HA   LYS  10           HA       LYS  10  -1.787  -9.122   4.861
   61    HB2  LYS  10           2HB      LYS  10  -3.858  -9.078   3.410
   62    HB3  LYS  10           1HB      LYS  10  -4.183  -9.345   5.121
   63    HG2  LYS  10           2HG      LYS  10  -4.308  -6.606   4.959
   64    HG3  LYS  10           1HG      LYS  10  -4.954  -7.088   3.396
   65    HD2  LYS  10           2HD      LYS  10  -6.806  -6.977   4.951
   66    HD3  LYS  10           1HD      LYS  10  -6.497  -8.676   4.592
   67    HE2  LYS  10           2HE      LYS  10  -4.831  -8.078   6.806
   68    HE3  LYS  10           1HE      LYS  10  -6.397  -7.332   7.175
   69    HZ1  LYS  10           3HZ      LYS  10  -6.471  -9.614   7.838
   70    HZ2  LYS  10           1HZ      LYS  10  -5.901 -10.135   6.330
   71    HZ3  LYS  10           2HZ      LYS  10  -7.446  -9.440   6.459
   72    HA   HYP  11           HA       HYP  11   0.153  -5.704   2.609
   73    HB2  HYP  11           1HB      HYP  11   2.198  -7.202   1.613
   74    HB3  HYP  11           2HB      HYP  11   2.190  -6.560   3.263
   75    HG   HYP  11           HG       HYP  11   2.445  -8.746   3.760
   76   HD22  HYP  11          1HD       HYP  11   0.572  -8.429   4.962
   77   HD23  HYP  11          2HD       HYP  11  -0.134  -9.601   3.835
   78    HD1  HYP  11           HOD      HYP  11   0.728  -9.561   1.624
   79    H    CYS  12           H        CYS  12   1.257  -5.934   0.198
   80    HA   CYS  12           HA       CYS  12  -0.455  -7.665  -1.525
   81    HB2  CYS  12           2HB      CYS  12  -1.369  -5.817  -2.717
   82    HB3  CYS  12           1HB      CYS  12  -1.495  -5.341  -1.026
   83    H    GLU  13           H        GLU  13   0.345  -7.450  -3.887
   84    HA   GLU  13           HA       GLU  13   3.249  -7.749  -3.932
   85    HB2  GLU  13           2HB      GLU  13   1.098  -7.698  -6.076
   86    HB3  GLU  13           1HB      GLU  13   2.773  -8.169  -6.363
   87    HG2  GLU  13           2HG      GLU  13   2.007 -10.263  -5.901
   88    HG3  GLU  13           1HG      GLU  13   2.158  -9.749  -4.220
   89    H    TYR  14           H        TYR  14   0.909  -5.344  -5.043
   90    HA   TYR  14           HA       TYR  14   3.077  -3.588  -6.071
   91    HB2  TYR  14           2HB      TYR  14   0.081  -3.125  -6.142
   92    HB3  TYR  14           1HB      TYR  14   1.299  -2.494  -7.248
   93    HD1  TYR  14           HD2      TYR  14   2.871  -4.765  -8.072
   94    HD2  TYR  14           HD1      TYR  14  -1.338  -4.583  -7.243
   95    HE1  TYR  14           HE2      TYR  14   2.496  -6.710  -9.560
   96    HE2  TYR  14           HE1      TYR  14  -1.715  -6.530  -8.727
   97    HH   TYR  14           HH       TYR  14   0.638  -8.577  -9.703
   98    H    HIS  15           H        HIS  15   0.936  -1.343  -5.376
   99    HA   HIS  15           HA       HIS  15   1.462  -1.178  -2.445
  100    HB2  HIS  15           2HB      HIS  15   2.773   0.293  -4.585
  101    HB3  HIS  15           1HB      HIS  15   1.982   1.391  -3.453
  102    HD1  HIS  15           HD1      HIS  15   2.399   0.205  -0.785
  103    HD2  HIS  15           HD2      HIS  15   5.359   0.011  -3.707
  104    HE1  HIS  15           HE1      HIS  15   4.587  -0.155   0.436
  105    H    ALA  16           H        ALA  16  -0.811  -0.790  -4.938
  106    HA   ALA  16           HA       ALA  16  -2.309   1.306  -3.405
  107    HB1  ALA  16           3HB      ALA  16  -2.950   0.372  -6.190
  108    HB2  ALA  16           1HB      ALA  16  -1.584   1.453  -5.916
  109    HB3  ALA  16           2HB      ALA  16  -3.212   1.958  -5.465
  110    H    ASP  17           H        ASP  17  -2.221  -1.969  -3.447
  111    HA   ASP  17           HA       ASP  17  -5.002  -2.672  -3.915
  112    HB2  ASP  17           2HB      ASP  17  -2.837  -4.110  -3.933
  113    HB3  ASP  17           1HB      ASP  17  -3.039  -4.173  -2.180
  114    H    CYS  18           H        CYS  18  -3.100  -1.818  -1.023
  115    HA   CYS  18           HA       CYS  18  -5.307  -2.302   0.864
  116    HB2  CYS  18           2HB      CYS  18  -2.493  -1.312   0.897
  117    HB3  CYS  18           1HB      CYS  18  -3.529  -0.812   2.229
  118    H    CYS  19           H        CYS  19  -6.360  -0.556   2.094
  119    HA   CYS  19           HA       CYS  19  -7.270   1.677   0.560
  120    HB2  CYS  19           2HB      CYS  19  -7.114   1.361   3.579
  121    HB3  CYS  19           1HB      CYS  19  -8.215   2.419   2.699
  122    H    ASN  20           H        ASN  20  -4.217   1.247   2.075
  123    HA   ASN  20           HA       ASN  20  -3.564   4.122   1.650
  124    HB2  ASN  20           2HB      ASN  20  -2.777   2.501   4.098
  125    HB3  ASN  20           1HB      ASN  20  -2.479   4.216   3.827
  126   HD21  ASN  20          1HD2      ASN  20  -4.998   1.865   4.675
  127   HD22  ASN  20          2HD2      ASN  20  -6.165   3.011   5.096
  128    H    CYS  21           H        CYS  21  -1.813   1.217   2.920
  129    HA   CYS  21           HA       CYS  21  -0.113   1.206   0.484
  130    HB2  CYS  21           2HB      CYS  21   0.688   2.094   3.241
  131    HB3  CYS  21           1HB      CYS  21   1.886   1.285   2.232
  132    H    CYS  22           H        CYS  22   1.192  -0.788   0.360
  133    HA   CYS  22           HA       CYS  22   0.793  -2.790   2.505
  134    HB2  CYS  22           2HB      CYS  22  -0.041  -4.380   0.642
  135    HB3  CYS  22           1HB      CYS  22  -1.168  -3.204   1.295
  136    H    LEU  23           H        LEU  23   3.136  -2.704   2.654
  137    HA   LEU  23           HA       LEU  23   4.794  -3.310   0.303
  138    HB2  LEU  23           2HB      LEU  23   5.577  -3.544   3.225
  139    HB3  LEU  23           1HB      LEU  23   6.602  -3.127   1.853
  140    HG   LEU  23           HG       LEU  23   4.571  -1.191   1.835
  141   HD11  LEU  23          1HD1      LEU  23   4.413  -2.240   4.324
  142   HD12  LEU  23          2HD1      LEU  23   4.091  -0.542   3.970
  143   HD13  LEU  23          3HD1      LEU  23   5.670  -1.029   4.584
  144   HD21  LEU  23          3HD2      LEU  23   7.402  -1.085   2.929
  145   HD22  LEU  23          1HD2      LEU  23   6.418   0.329   2.554
  146   HD23  LEU  23          2HD2      LEU  23   6.905  -0.770   1.264
  147    H    SER  24           H        SER  24   6.089  -5.316   0.164
  148    HA   SER  24           HA       SER  24   4.664  -7.721   0.295
  149    HB2  SER  24           2HB      SER  24   7.555  -7.976   0.835
  150    HB3  SER  24           1HB      SER  24   6.613  -8.575  -0.526
  151    HG   SER  24           HG       SER  24   7.162  -6.866  -1.625
  152    H    GLY  25           H        GLY  25   6.444  -6.136   2.891
  153    HA2  GLY  25           2HA      GLY  25   6.532  -8.378   4.685
  154    HA3  GLY  25           1HA      GLY  25   6.717  -6.687   5.153
  155    H    ILE  26           H        ILE  26   4.332  -5.538   4.534
  156    HA   ILE  26           HA       ILE  26   1.994  -7.100   5.257
  157    HB   ILE  26           HB       ILE  26   3.802  -6.119   7.326
  158   HG12  ILE  26          2HG1      ILE  26   1.237  -7.558   7.883
  159   HG13  ILE  26          1HG1      ILE  26   2.483  -8.384   6.950
  160   HG21  ILE  26          1HG2      ILE  26   0.904  -5.266   7.560
  161   HG22  ILE  26          2HG2      ILE  26   2.289  -4.181   7.408
  162   HG23  ILE  26          3HG2      ILE  26   2.106  -5.189   8.844
  163   HD11  ILE  26          3HD1      ILE  26   2.939  -8.939   9.217
  164   HD12  ILE  26          1HD1      ILE  26   2.678  -7.280   9.755
  165   HD13  ILE  26          2HD1      ILE  26   4.110  -7.685   8.806
  166    H    CYS  27           H        CYS  27   0.045  -5.675   5.557
  167    HA   CYS  27           HA       CYS  27   0.118  -3.317   3.833
  168    HB2  CYS  27           2HB      CYS  27  -1.802  -4.890   4.074
  169    HB3  CYS  27           1HB      CYS  27  -2.019  -4.342   5.725
  170    H    ALA  28           H        ALA  28   0.510  -1.236   4.473
  171    HA   ALA  28           HA       ALA  28   0.440  -0.639   7.408
  172    HB1  ALA  28           3HB      ALA  28   2.457   0.499   7.173
  173    HB2  ALA  28           1HB      ALA  28   2.164   0.859   5.464
  174    HB3  ALA  28           2HB      ALA  28   2.663  -0.756   5.956
  175    HA   HYP  29           HA       HYP  29  -2.410   2.524   6.116
  176    HB2  HYP  29           1HB      HYP  29  -2.747   3.687   8.563
  177    HB3  HYP  29           2HB      HYP  29  -3.468   2.129   8.121
  178    HG   HYP  29           HG       HYP  29  -1.186   2.725   9.869
  179   HD22  HYP  29          1HD       HYP  29  -0.786   0.116   8.689
  180   HD23  HYP  29          2HD       HYP  29   0.352   1.467   8.856
  181    HD1  HYP  29           HOD      HYP  29  -2.944   0.476   9.575
  182    H    SER  30           H        SER  30  -0.672   3.681   4.852
  183    HA   SER  30           HA       SER  30   1.001   5.670   6.200
  184    HB2  SER  30           2HB      SER  30   1.340   4.338   3.961
  185    HB3  SER  30           1HB      SER  30   0.357   5.620   3.260
  186    HG   SER  30           HG       SER  30   2.612   6.100   3.201
  187    H    THR  31           H        THR  31  -0.842   6.768   7.299
  188    HA   THR  31           HA       THR  31  -1.785   9.067   5.726
  189    HB   THR  31           HB       THR  31  -3.345   7.115   5.244
  190    HG1  THR  31           HG1      THR  31  -3.915   9.444   5.289
  191   HG21  THR  31          3HG2      THR  31  -4.674   6.173   6.917
  192   HG22  THR  31          1HG2      THR  31  -4.456   7.552   7.996
  193   HG23  THR  31          2HG2      THR  31  -3.140   6.405   7.766
  194    H    ASN  32           H        ASN  32  -1.563   7.384   8.841
  195    HA   ASN  32           HA       ASN  32  -2.709   9.600  10.378
  196    HB2  ASN  32           2HB      ASN  32  -0.958   7.706  11.819
  197    HB3  ASN  32           1HB      ASN  32  -2.639   8.119  12.118
  198   HD21  ASN  32          1HD2      ASN  32  -0.629   5.591  11.077
  199   HD22  ASN  32          2HD2      ASN  32  -1.800   4.651  10.278
  200    H    TRP  33           H        TRP  33   0.400   8.976   9.015
  201    HA   TRP  33           HA       TRP  33   1.460  11.389  10.253
  202    HB2  TRP  33           2HB      TRP  33   3.430  10.152  11.229
  203    HB3  TRP  33           1HB      TRP  33   1.900   9.745  11.996
  204    HD1  TRP  33           HD1      TRP  33   0.676   7.571  10.379
  205    HE1  TRP  33           HE1      TRP  33   1.807   5.277   9.986
  206    HE3  TRP  33           HE3      TRP  33   5.536   8.831  11.253
  207    HZ2  TRP  33           HZ2      TRP  33   4.447   4.146  10.030
  208    HZ3  TRP  33           HZ3      TRP  33   7.326   7.129  11.079
  209    HH2  TRP  33           HH2      TRP  33   6.798   4.815  10.473
  210    H    ILE  34           H        ILE  34   4.092   9.595   9.451
  211    HA   ILE  34           HA       ILE  34   3.969  10.279   6.536
  212    HB   ILE  34           HB       ILE  34   6.478  10.487   8.208
  213   HG12  ILE  34          2HG1      ILE  34   5.267  13.061   7.832
  214   HG13  ILE  34          1HG1      ILE  34   4.112  12.006   8.644
  215   HG21  ILE  34          1HG2      ILE  34   7.181  11.979   6.481
  216   HG22  ILE  34          2HG2      ILE  34   5.540  12.128   5.850
  217   HG23  ILE  34          3HG2      ILE  34   6.423  10.612   5.662
  218   HD11  ILE  34          3HD1      ILE  34   6.928  12.675   9.516
  219   HD12  ILE  34          1HD1      ILE  34   5.999  11.348  10.215
  220   HD13  ILE  34          2HD1      ILE  34   5.424  13.008  10.375
  221    H    LEU  35           H        LEU  35   3.340   7.782   7.444
  222    HA   LEU  35           HA       LEU  35   5.317   5.838   7.864
  223    HB2  LEU  35           2HB      LEU  35   2.805   5.609   7.868
  224    HB3  LEU  35           1HB      LEU  35   2.864   5.580   6.105
  225    HG   LEU  35           HG       LEU  35   4.752   3.706   7.351
  226   HD11  LEU  35          1HD1      LEU  35   1.777   3.210   7.688
  227   HD12  LEU  35          2HD1      LEU  35   2.883   3.603   9.003
  228   HD13  LEU  35          3HD1      LEU  35   3.083   2.096   8.109
  229   HD21  LEU  35          3HD2      LEU  35   4.163   2.381   5.533
  230   HD22  LEU  35          1HD2      LEU  35   3.802   3.981   4.892
  231   HD23  LEU  35          2HD2      LEU  35   2.498   2.964   5.511
  232    HA   PRO  36           HA       PRO  36   7.377   6.397   3.901
  233    HB2  PRO  36           2HB      PRO  36   9.704   5.144   4.633
  234    HB3  PRO  36           1HB      PRO  36   9.344   6.831   5.047
  235    HG2  PRO  36           2HG      PRO  36   9.219   4.400   6.731
  236    HG3  PRO  36           1HG      PRO  36   9.629   6.062   7.175
  237    HD2  PRO  36           2HD      PRO  36   7.194   4.823   7.652
  238    HD3  PRO  36           1HD      PRO  36   7.464   6.581   7.643
  239    H    GLY  37           H        GLY  37   7.891   4.882   2.197
  240    HA2  GLY  37           2HA      GLY  37   8.370   2.541   1.505
  241    HA3  GLY  37           1HA      GLY  37   7.315   2.011   2.817
  242    H    CYS  38           H        CYS  38   6.991   4.375   0.149
  243    HA   CYS  38           HA       CYS  38   4.945   2.904  -1.280
  244    HB2  CYS  38           2HB      CYS  38   4.197   4.267   1.130
  245    HB3  CYS  38           1HB      CYS  38   3.496   5.144  -0.226
  246    H    SER  39           H        SER  39   7.328   4.566  -1.863
  247    HA   SER  39           HA       SER  39   6.135   6.964  -3.198
  248    HB2  SER  39           2HB      SER  39   9.071   6.528  -3.138
  249    HB3  SER  39           1HB      SER  39   8.144   7.979  -2.775
  250    HG   SER  39           HG       SER  39   8.520   7.458  -0.772
  251    H    THR  40           H        THR  40   6.199   3.997  -4.177
  252    HA   THR  40           HA       THR  40   7.997   3.821  -6.407
  253    HB   THR  40           HB       THR  40   5.379   2.473  -6.633
  254    HG1  THR  40           HG1      THR  40   6.999   1.791  -4.413
  255   HG21  THR  40          3HG2      THR  40   7.278   1.691  -7.892
  256   HG22  THR  40          1HG2      THR  40   6.892   0.474  -6.674
  257   HG23  THR  40          2HG2      THR  40   8.258   1.562  -6.429
  258    H    SER  41           H        SER  41   4.750   5.239  -6.073
  259    HA   SER  41           HA       SER  41   4.509   5.721  -8.974
  260    HB2  SER  41           2HB      SER  41   2.405   6.995  -7.888
  261    HB3  SER  41           1HB      SER  41   2.446   5.242  -8.032
  262    HG   SER  41           HG       SER  41   1.932   5.698  -5.923
  263    H    SER  42           H        SER  42   6.807   7.028  -8.260
  264    HA   SER  42           HA       SER  42   6.115   9.845  -7.593
  265    HB2  SER  42           2HB      SER  42   8.050   8.332  -6.629
  266    HB3  SER  42           1HB      SER  42   8.878   8.773  -8.128
  267    HG   SER  42           HG       SER  42   8.630  10.953  -7.563
  268    H    PHE  43           H        PHE  43   5.364   8.624 -10.234
  269    HA   PHE  43           HA       PHE  43   7.109  10.279 -12.029
  270    HB2  PHE  43           2HB      PHE  43   5.361   7.853 -12.594
  271    HB3  PHE  43           1HB      PHE  43   6.383   8.672 -13.775
  272    HD1  PHE  43           HD1      PHE  43   8.919   8.781 -13.324
  273    HD2  PHE  43           HD2      PHE  43   6.259   6.195 -11.149
  274    HE1  PHE  43           HE1      PHE  43  10.850   7.397 -12.604
  275    HE2  PHE  43           HE2      PHE  43   8.193   4.817 -10.432
  276    HZ   PHE  43           HZ       PHE  43  10.482   5.412 -11.164
  277    H    PHE  44           H        PHE  44   5.868  12.228 -11.654
  278    HA   PHE  44           HA       PHE  44   3.021  12.140 -12.551
  279    HB2  PHE  44           2HB      PHE  44   4.586  13.585 -10.556
  280    HB3  PHE  44           1HB      PHE  44   3.577  14.666 -11.514
  281    HD1  PHE  44           HD1      PHE  44   1.173  13.182 -12.111
  282    HD2  PHE  44           HD2      PHE  44   3.542  13.133  -8.525
  283    HE1  PHE  44           HE1      PHE  44  -0.819  12.506 -10.799
  284    HE2  PHE  44           HE2      PHE  44   1.547  12.457  -7.220
  285    HZ   PHE  44           HZ       PHE  44  -0.630  12.148  -8.356
  286    H    LYS  45           H        LYS  45   2.474  14.504 -13.552
  287    HA   LYS  45           HA       LYS  45   4.181  14.738 -15.963
  288    HB2  LYS  45           2HB      LYS  45   1.523  14.561 -15.711
  289    HB3  LYS  45           1HB      LYS  45   1.654  16.308 -15.495
  290    HG2  LYS  45           2HG      LYS  45   1.311  15.839 -17.865
  291    HG3  LYS  45           1HG      LYS  45   2.954  16.429 -17.637
  292    HD2  LYS  45           2HD      LYS  45   3.348  14.572 -18.987
  293    HD3  LYS  45           1HD      LYS  45   3.520  13.858 -17.386
  294    HE2  LYS  45           2HE      LYS  45   2.077  12.357 -18.541
  295    HE3  LYS  45           1HE      LYS  45   0.966  13.346 -17.571
  296    HZ1  LYS  45           3HZ      LYS  45   1.769  13.967 -20.367
  297    HZ2  LYS  45           1HZ      LYS  45   0.616  14.796 -19.441
  298    HZ3  LYS  45           2HZ      LYS  45   0.317  13.202 -19.939
  299    H    ILE  46           H        ILE  46   4.468  17.073 -16.777
  300    HA   ILE  46           HA       ILE  46   5.652  18.711 -14.609
  301    HB   ILE  46           HB       ILE  46   5.573  18.919 -17.639
  302   HG12  ILE  46          2HG1      ILE  46   6.771  16.933 -16.616
  303   HG13  ILE  46          1HG1      ILE  46   7.792  17.982 -17.599
  304   HG21  ILE  46          1HG2      ILE  46   6.286  21.040 -17.274
  305   HG22  ILE  46          2HG2      ILE  46   7.801  20.304 -16.758
  306   HG23  ILE  46          3HG2      ILE  46   6.580  20.736 -15.562
  307   HD11  ILE  46          3HD1      ILE  46   8.609  19.112 -15.575
  308   HD12  ILE  46          1HD1      ILE  46   8.903  17.376 -15.469
  309   HD13  ILE  46          2HD1      ILE  46   7.567  18.101 -14.574
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1 -18.384  -3.475   0.429
    2    H2   GLY   1           2H       GLY   1 -17.090  -3.049   1.439
    3    H3   GLY   1           3H       GLY   1 -17.752  -1.906   0.370
    4    HA2  GLY   1           2HA      GLY   1 -19.902  -2.136   1.594
    5    HA3  GLY   1           1HA      GLY   1 -18.997  -3.042   2.805
    6    HA   HYP   2           HA       HYP   2 -17.977   0.824   4.631
    7    HB2  HYP   2           1HB      HYP   2 -15.740   0.120   6.034
    8    HB3  HYP   2           2HB      HYP   2 -17.378  -0.357   6.524
    9    HG   HYP   2           HG       HYP   2 -15.290  -1.920   5.103
   10   HD22  HYP   2          1HD       HYP   2 -18.088  -2.833   4.824
   11   HD23  HYP   2          2HD       HYP   2 -16.729  -2.956   3.689
   12    HD1  HYP   2           HOD      HYP   2 -15.601  -3.009   6.921
   13    H    SER   3           H        SER   3 -15.089  -0.907   3.354
   14    HA   SER   3           HA       SER   3 -14.167   1.715   2.234
   15    HB2  SER   3           2HB      SER   3 -11.891   0.250   2.533
   16    HB3  SER   3           1HB      SER   3 -12.517   1.325   3.777
   17    HG   SER   3           HG       SER   3 -12.270  -0.602   4.793
   18    H    PHE   4           H        PHE   4 -12.700   1.417   0.275
   19    HA   PHE   4           HA       PHE   4 -13.649  -0.897  -1.389
   20    HB2  PHE   4           2HB      PHE   4 -12.757   1.927  -2.038
   21    HB3  PHE   4           1HB      PHE   4 -13.106   0.710  -3.264
   22    HD1  PHE   4           HD2      PHE   4 -15.444  -0.627  -2.711
   23    HD2  PHE   4           HD1      PHE   4 -14.504   3.417  -1.591
   24    HE1  PHE   4           HE2      PHE   4 -17.868  -0.107  -2.551
   25    HE2  PHE   4           HE1      PHE   4 -16.928   3.932  -1.430
   26    HZ   PHE   4           HZ       PHE   4 -18.608   2.172  -1.913
   27    H    CYS   5           H        CYS   5 -11.524  -1.558   0.208
   28    HA   CYS   5           HA       CYS   5  -9.387  -2.105  -1.690
   29    HB2  CYS   5           2HB      CYS   5  -7.749  -0.751  -0.052
   30    HB3  CYS   5           1HB      CYS   5  -8.540   0.034  -1.417
   31    H    LYS   6           H        LYS   6  -7.390  -3.014  -0.361
   32    HA   LYS   6           HA       LYS   6  -8.376  -5.114   1.394
   33    HB2  LYS   6           2HB      LYS   6  -6.352  -4.924  -0.343
   34    HB3  LYS   6           1HB      LYS   6  -5.482  -4.372   1.087
   35    HG2  LYS   6           2HG      LYS   6  -5.150  -6.563   1.538
   36    HG3  LYS   6           1HG      LYS   6  -6.842  -6.581   2.034
   37    HD2  LYS   6           2HD      LYS   6  -7.511  -7.718   0.180
   38    HD3  LYS   6           1HD      LYS   6  -6.420  -6.828  -0.878
   39    HE2  LYS   6           2HE      LYS   6  -5.530  -9.031   1.028
   40    HE3  LYS   6           1HE      LYS   6  -5.807  -9.244  -0.710
   41    HZ1  LYS   6           3HZ      LYS   6  -4.277  -7.002  -0.629
   42    HZ2  LYS   6           1HZ      LYS   6  -3.694  -8.568  -0.935
   43    HZ3  LYS   6           2HZ      LYS   6  -3.609  -7.934   0.637
   44    H    ALA   7           H        ALA   7  -7.418  -5.404   3.625
   45    HA   ALA   7           HA       ALA   7  -7.391  -2.792   5.073
   46    HB1  ALA   7           3HB      ALA   7  -8.859  -4.955   5.501
   47    HB2  ALA   7           1HB      ALA   7  -8.253  -4.013   6.859
   48    HB3  ALA   7           2HB      ALA   7  -7.430  -5.497   6.382
   49    H    ASP   8           H        ASP   8  -5.979  -3.051   7.203
   50    HA   ASP   8           HA       ASP   8  -3.216  -3.083   6.386
   51    HB2  ASP   8           2HB      ASP   8  -4.520  -3.145   9.134
   52    HB3  ASP   8           1HB      ASP   8  -2.836  -2.739   8.818
   53    H    GLU   9           H        GLU   9  -1.742  -4.454   8.121
   54    HA   GLU   9           HA       GLU   9  -0.927  -6.556   8.795
   55    HB2  GLU   9           2HB      GLU   9  -3.706  -7.666   8.372
   56    HB3  GLU   9           1HB      GLU   9  -2.502  -8.143   9.566
   57    HG2  GLU   9           2HG      GLU   9  -2.776  -5.750  10.516
   58    HG3  GLU   9           1HG      GLU   9  -4.247  -5.685   9.543
   59    H    LYS  10           H        LYS  10  -3.424  -7.091   6.327
   60    HA   LYS  10           HA       LYS  10  -1.839  -9.151   4.985
   61    HB2  LYS  10           2HB      LYS  10  -3.833  -9.216   3.508
   62    HB3  LYS  10           1HB      LYS  10  -4.277  -9.273   5.209
   63    HG2  LYS  10           2HG      LYS  10  -4.496  -6.654   4.949
   64    HG3  LYS  10           1HG      LYS  10  -4.641  -7.035   3.234
   65    HD2  LYS  10           2HD      LYS  10  -6.882  -7.107   3.978
   66    HD3  LYS  10           1HD      LYS  10  -6.399  -8.804   4.003
   67    HE2  LYS  10           2HE      LYS  10  -5.968  -8.699   6.407
   68    HE3  LYS  10           1HE      LYS  10  -6.304  -6.959   6.420
   69    HZ1  LYS  10           3HZ      LYS  10  -8.536  -7.396   5.623
   70    HZ2  LYS  10           1HZ      LYS  10  -8.265  -8.260   7.054
   71    HZ3  LYS  10           2HZ      LYS  10  -8.226  -9.066   5.556
   72    HA   HYP  11           HA       HYP  11   0.139  -5.779   2.642
   73    HB2  HYP  11           1HB      HYP  11   2.222  -7.302   1.727
   74    HB3  HYP  11           2HB      HYP  11   2.190  -6.607   3.358
   75    HG   HYP  11           HG       HYP  11   2.454  -8.796   3.896
   76   HD22  HYP  11          1HD       HYP  11   0.582  -8.381   5.115
   77   HD23  HYP  11          2HD       HYP  11  -0.122  -9.612   4.051
   78    HD1  HYP  11           HOD      HYP  11   0.633  -9.803   1.991
   79    H    CYS  12           H        CYS  12   1.379  -6.318   0.224
   80    HA   CYS  12           HA       CYS  12  -0.188  -8.218  -1.374
   81    HB2  CYS  12           2HB      CYS  12  -1.729  -6.836  -2.341
   82    HB3  CYS  12           1HB      CYS  12  -1.549  -5.975  -0.821
   83    H    GLU  13           H        GLU  13   0.191  -7.453  -3.897
   84    HA   GLU  13           HA       GLU  13   3.118  -7.533  -4.154
   85    HB2  GLU  13           2HB      GLU  13   0.741  -7.795  -6.014
   86    HB3  GLU  13           1HB      GLU  13   2.395  -7.800  -6.627
   87    HG2  GLU  13           2HG      GLU  13   1.695 -10.100  -6.289
   88    HG3  GLU  13           1HG      GLU  13   2.901  -9.717  -5.063
   89    H    TYR  14           H        TYR  14   0.483  -5.395  -5.245
   90    HA   TYR  14           HA       TYR  14   2.408  -3.468  -6.373
   91    HB2  TYR  14           2HB      TYR  14  -0.563  -3.893  -6.298
   92    HB3  TYR  14           1HB      TYR  14   0.017  -2.254  -6.589
   93    HD1  TYR  14           HD1      TYR  14   1.095  -5.706  -7.659
   94    HD2  TYR  14           HD2      TYR  14   0.096  -1.675  -8.823
   95    HE1  TYR  14           HE1      TYR  14   1.572  -6.278 -10.029
   96    HE2  TYR  14           HE2      TYR  14   0.582  -2.238 -11.195
   97    HH   TYR  14           HH       TYR  14   2.307  -4.443 -12.248
   98    H    HIS  15           H        HIS  15  -0.303  -2.062  -4.778
   99    HA   HIS  15           HA       HIS  15   0.801  -1.600  -2.166
  100    HB2  HIS  15           2HB      HIS  15   1.961  -0.108  -4.336
  101    HB3  HIS  15           1HB      HIS  15   1.101   1.012  -3.280
  102    HD1  HIS  15           HD1      HIS  15   1.677   0.672  -0.608
  103    HD2  HIS  15           HD2      HIS  15   4.441  -0.852  -3.323
  104    HE1  HIS  15           HE1      HIS  15   3.821   0.290   0.687
  105    H    ALA  16           H        ALA  16  -1.116  -0.166  -4.796
  106    HA   ALA  16           HA       ALA  16  -2.868   1.372  -3.088
  107    HB1  ALA  16           3HB      ALA  16  -4.104   1.699  -5.150
  108    HB2  ALA  16           1HB      ALA  16  -3.344   0.286  -5.881
  109    HB3  ALA  16           2HB      ALA  16  -2.384   1.727  -5.540
  110    H    ASP  17           H        ASP  17  -2.707  -2.010  -3.807
  111    HA   ASP  17           HA       ASP  17  -5.364  -2.904  -3.795
  112    HB2  ASP  17           2HB      ASP  17  -3.611  -4.464  -4.096
  113    HB3  ASP  17           1HB      ASP  17  -2.781  -3.943  -2.631
  114    H    CYS  18           H        CYS  18  -3.338  -2.012  -1.008
  115    HA   CYS  18           HA       CYS  18  -5.585  -2.459   0.873
  116    HB2  CYS  18           2HB      CYS  18  -2.663  -1.826   0.987
  117    HB3  CYS  18           1HB      CYS  18  -3.647  -1.345   2.367
  118    H    CYS  19           H        CYS  19  -6.405  -0.673   2.226
  119    HA   CYS  19           HA       CYS  19  -7.000   1.732   0.782
  120    HB2  CYS  19           2HB      CYS  19  -7.068   1.196   3.771
  121    HB3  CYS  19           1HB      CYS  19  -8.003   2.417   2.909
  122    H    ASN  20           H        ASN  20  -4.040   0.842   2.171
  123    HA   ASN  20           HA       ASN  20  -3.164   3.692   2.257
  124    HB2  ASN  20           2HB      ASN  20  -2.506   1.514   4.282
  125    HB3  ASN  20           1HB      ASN  20  -1.910   3.169   4.325
  126   HD21  ASN  20          1HD2      ASN  20  -4.810   1.164   4.708
  127   HD22  ASN  20          2HD2      ASN  20  -5.741   2.355   5.460
  128    H    CYS  21           H        CYS  21  -1.302   0.820   3.155
  129    HA   CYS  21           HA       CYS  21   0.022   0.755   0.492
  130    HB2  CYS  21           2HB      CYS  21   1.158   1.757   3.065
  131    HB3  CYS  21           1HB      CYS  21   2.223   0.792   2.043
  132    H    CYS  22           H        CYS  22   1.062  -1.320   0.094
  133    HA   CYS  22           HA       CYS  22   0.648  -3.376   2.238
  134    HB2  CYS  22           2HB      CYS  22  -0.162  -4.842   0.502
  135    HB3  CYS  22           1HB      CYS  22  -0.954  -3.294   0.240
  136    H    LEU  23           H        LEU  23   3.003  -2.890   2.761
  137    HA   LEU  23           HA       LEU  23   5.016  -3.473   0.722
  138    HB2  LEU  23           2HB      LEU  23   4.968  -3.005   3.703
  139    HB3  LEU  23           1HB      LEU  23   6.458  -3.514   2.908
  140    HG   LEU  23           HG       LEU  23   4.882  -1.217   1.773
  141   HD11  LEU  23          1HD1      LEU  23   7.093  -0.539   3.609
  142   HD12  LEU  23          2HD1      LEU  23   5.639  -1.153   4.396
  143   HD13  LEU  23          3HD1      LEU  23   5.548   0.269   3.356
  144   HD21  LEU  23          3HD2      LEU  23   7.764  -0.972   1.800
  145   HD22  LEU  23          1HD2      LEU  23   6.679  -1.092   0.416
  146   HD23  LEU  23          2HD2      LEU  23   7.308  -2.555   1.171
  147    H    SER  24           H        SER  24   6.393  -5.353   0.664
  148    HA   SER  24           HA       SER  24   5.270  -7.880   0.757
  149    HB2  SER  24           2HB      SER  24   8.139  -7.405   1.558
  150    HB3  SER  24           1HB      SER  24   7.479  -8.658   0.510
  151    HG   SER  24           HG       SER  24   7.133  -7.143  -1.061
  152    H    GLY  25           H        GLY  25   6.640  -6.119   3.493
  153    HA2  GLY  25           2HA      GLY  25   6.661  -8.350   5.314
  154    HA3  GLY  25           1HA      GLY  25   6.722  -6.649   5.780
  155    H    ILE  26           H        ILE  26   4.364  -5.621   4.907
  156    HA   ILE  26           HA       ILE  26   2.034  -7.254   5.382
  157    HB   ILE  26           HB       ILE  26   3.567  -6.163   7.660
  158   HG12  ILE  26          2HG1      ILE  26   1.453  -8.247   7.191
  159   HG13  ILE  26          1HG1      ILE  26   3.097  -8.446   7.786
  160   HG21  ILE  26          1HG2      ILE  26   1.783  -4.418   7.524
  161   HG22  ILE  26          2HG2      ILE  26   1.660  -5.393   8.987
  162   HG23  ILE  26          3HG2      ILE  26   0.565  -5.688   7.638
  163   HD11  ILE  26          3HD1      ILE  26   1.955  -8.684   9.772
  164   HD12  ILE  26          1HD1      ILE  26   0.641  -7.625   9.262
  165   HD13  ILE  26          2HD1      ILE  26   2.178  -6.934   9.776
  166    H    CYS  27           H        CYS  27   0.010  -5.789   5.561
  167    HA   CYS  27           HA       CYS  27   0.417  -3.343   3.953
  168    HB2  CYS  27           2HB      CYS  27  -1.764  -5.147   4.677
  169    HB3  CYS  27           1HB      CYS  27  -2.246  -3.453   4.784
  170    H    ALA  28           H        ALA  28   0.487  -1.290   4.779
  171    HA   ALA  28           HA       ALA  28  -0.348  -0.843   7.619
  172    HB1  ALA  28           3HB      ALA  28   2.062   0.608   6.890
  173    HB2  ALA  28           1HB      ALA  28   2.285  -1.120   6.617
  174    HB3  ALA  28           2HB      ALA  28   1.822  -0.530   8.216
  175    HA   HYP  29           HA       HYP  29  -1.924   3.089   6.380
  176    HB2  HYP  29           1HB      HYP  29  -0.667   4.925   7.983
  177    HB3  HYP  29           2HB      HYP  29  -1.943   3.836   8.560
  178    HG   HYP  29           HG       HYP  29   1.024   3.545   8.750
  179   HD22  HYP  29          1HD       HYP  29  -0.821   1.215   9.126
  180   HD23  HYP  29          2HD       HYP  29   0.905   1.245   8.699
  181    HD1  HYP  29           HOD      HYP  29  -1.128   3.045  10.583
  182    H    SER  30           H        SER  30  -1.464   4.921   5.016
  183    HA   SER  30           HA       SER  30   1.265   4.884   3.809
  184    HB2  SER  30           2HB      SER  30  -0.355   6.455   2.224
  185    HB3  SER  30           1HB      SER  30  -0.127   4.722   2.016
  186    HG   SER  30           HG       SER  30  -2.305   6.139   2.939
  187    H    THR  31           H        THR  31   1.064   6.252   6.322
  188    HA   THR  31           HA       THR  31   0.776   9.134   5.725
  189    HB   THR  31           HB       THR  31   0.142   7.785   7.869
  190    HG1  THR  31           HG1      THR  31   1.649  10.166   8.144
  191   HG21  THR  31          3HG2      THR  31   1.917   7.687   9.561
  192   HG22  THR  31          1HG2      THR  31   3.076   8.344   8.409
  193   HG23  THR  31          2HG2      THR  31   2.388   6.738   8.149
  194    H    ASN  32           H        ASN  32   3.046   7.251   4.610
  195    HA   ASN  32           HA       ASN  32   5.458   8.505   5.733
  196    HB2  ASN  32           2HB      ASN  32   5.250   6.607   3.376
  197    HB3  ASN  32           1HB      ASN  32   6.600   6.814   4.489
  198   HD21  ASN  32          1HD2      ASN  32   5.648   6.468   6.990
  199   HD22  ASN  32          2HD2      ASN  32   4.796   5.010   7.153
  200    H    TRP  33           H        TRP  33   7.037   9.398   4.106
  201    HA   TRP  33           HA       TRP  33   5.644  10.818   1.860
  202    HB2  TRP  33           2HB      TRP  33   7.530  12.620   2.552
  203    HB3  TRP  33           1HB      TRP  33   5.932  12.617   3.282
  204    HD1  TRP  33           HD1      TRP  33   5.803  11.015   5.629
  205    HE1  TRP  33           HE1      TRP  33   7.497  11.000   7.588
  206    HE3  TRP  33           HE3      TRP  33   9.899  12.952   3.266
  207    HZ2  TRP  33           HZ2      TRP  33  10.253  11.701   8.049
  208    HZ3  TRP  33           HZ3      TRP  33  12.027  13.234   4.495
  209    HH2  TRP  33           HH2      TRP  33  12.196  12.615   6.862
  210    H    ILE  34           H        ILE  34   8.986  10.403   3.099
  211    HA   ILE  34           HA       ILE  34   9.773   9.485   0.348
  212    HB   ILE  34           HB       ILE  34  11.427  11.091   2.327
  213   HG12  ILE  34          2HG1      ILE  34  10.024  12.108  -0.163
  214   HG13  ILE  34          1HG1      ILE  34   9.361  12.296   1.459
  215   HG21  ILE  34          1HG2      ILE  34  12.766  11.561   0.243
  216   HG22  ILE  34          2HG2      ILE  34  11.759  10.388  -0.607
  217   HG23  ILE  34          3HG2      ILE  34  12.785   9.866   0.728
  218   HD11  ILE  34          3HD1      ILE  34  10.534  14.280   1.285
  219   HD12  ILE  34          1HD1      ILE  34  11.763  13.581   0.233
  220   HD13  ILE  34          2HD1      ILE  34  11.792  13.246   1.964
  221    H    LEU  35           H        LEU  35   9.605   8.663   3.635
  222    HA   LEU  35           HA       LEU  35  11.963   7.144   4.098
  223    HB2  LEU  35           2HB      LEU  35   9.195   7.356   5.154
  224    HB3  LEU  35           1HB      LEU  35  10.000   5.822   5.478
  225    HG   LEU  35           HG       LEU  35  11.944   7.072   6.407
  226   HD11  LEU  35          1HD1      LEU  35  11.550   9.495   6.959
  227   HD12  LEU  35          2HD1      LEU  35  10.119   9.446   5.932
  228   HD13  LEU  35          3HD1      LEU  35  11.715   9.181   5.231
  229   HD21  LEU  35          3HD2      LEU  35  10.465   6.319   8.066
  230   HD22  LEU  35          1HD2      LEU  35   9.177   7.405   7.544
  231   HD23  LEU  35          2HD2      LEU  35  10.577   8.046   8.405
  232    HA   PRO  36           HA       PRO  36  11.511   3.559   1.591
  233    HB2  PRO  36           2HB      PRO  36  12.361   1.563   3.278
  234    HB3  PRO  36           1HB      PRO  36  13.458   2.728   2.506
  235    HG2  PRO  36           2HG      PRO  36  12.336   2.742   5.274
  236    HG3  PRO  36           1HG      PRO  36  13.981   3.111   4.725
  237    HD2  PRO  36           2HD      PRO  36  12.202   5.042   5.347
  238    HD3  PRO  36           1HD      PRO  36  13.422   5.258   4.071
  239    H    GLY  37           H        GLY  37   9.424   2.962   1.132
  240    HA2  GLY  37           2HA      GLY  37   8.059   0.916   2.561
  241    HA3  GLY  37           1HA      GLY  37   7.370   2.467   3.044
  242    H    CYS  38           H        CYS  38   5.996   3.532   1.610
  243    HA   CYS  38           HA       CYS  38   4.884   2.027  -0.593
  244    HB2  CYS  38           2HB      CYS  38   4.656   4.996  -0.009
  245    HB3  CYS  38           1HB      CYS  38   3.491   3.993  -0.871
  246    H    SER  39           H        SER  39   7.493   4.360  -0.362
  247    HA   SER  39           HA       SER  39   7.619   4.686  -3.314
  248    HB2  SER  39           2HB      SER  39   8.067   6.385  -1.211
  249    HB3  SER  39           1HB      SER  39   9.705   5.831  -1.542
  250    HG   SER  39           HG       SER  39   9.315   7.571  -2.836
  251    H    THR  40           H        THR  40   8.625   2.931  -4.307
  252    HA   THR  40           HA       THR  40  11.258   2.060  -3.198
  253    HB   THR  40           HB       THR  40   9.303   0.667  -2.372
  254    HG1  THR  40           HG1      THR  40  10.661  -0.919  -2.328
  255   HG21  THR  40          3HG2      THR  40   7.726   0.315  -3.994
  256   HG22  THR  40          1HG2      THR  40   8.753  -1.059  -4.406
  257   HG23  THR  40          2HG2      THR  40   8.903   0.448  -5.302
  258    H    SER  41           H        SER  41  10.365   3.645  -5.626
  259    HA   SER  41           HA       SER  41  11.342   1.789  -7.774
  260    HB2  SER  41           2HB      SER  41   9.630   4.295  -7.913
  261    HB3  SER  41           1HB      SER  41  10.082   3.294  -9.292
  262    HG   SER  41           HG       SER  41   8.775   1.740  -8.617
  263    H    SER  42           H        SER  42  12.212   4.597  -5.959
  264    HA   SER  42           HA       SER  42  13.665   6.122  -7.899
  265    HB2  SER  42           2HB      SER  42  15.002   6.548  -5.570
  266    HB3  SER  42           1HB      SER  42  13.446   7.277  -5.929
  267    HG   SER  42           HG       SER  42  13.969   4.896  -4.451
  268    H    PHE  43           H        PHE  43  15.513   5.564  -9.006
  269    HA   PHE  43           HA       PHE  43  17.358   3.552  -7.771
  270    HB2  PHE  43           2HB      PHE  43  17.653   2.663 -10.092
  271    HB3  PHE  43           1HB      PHE  43  15.996   2.520  -9.518
  272    HD1  PHE  43           HD1      PHE  43  14.229   4.029 -10.380
  273    HD2  PHE  43           HD2      PHE  43  18.238   4.159 -11.905
  274    HE1  PHE  43           HE1      PHE  43  13.435   5.321 -12.341
  275    HE2  PHE  43           HE2      PHE  43  17.450   5.452 -13.867
  276    HZ   PHE  43           HZ       PHE  43  15.048   6.030 -14.090
  277    H    PHE  44           H        PHE  44  17.790   6.347  -7.499
  278    HA   PHE  44           HA       PHE  44  20.162   6.704  -9.288
  279    HB2  PHE  44           2HB      PHE  44  19.592   9.085  -9.441
  280    HB3  PHE  44           1HB      PHE  44  18.237   8.102  -9.982
  281    HD1  PHE  44           HD1      PHE  44  16.263   7.757  -8.484
  282    HD2  PHE  44           HD2      PHE  44  19.447  10.449  -7.486
  283    HE1  PHE  44           HE1      PHE  44  14.814   8.837  -6.778
  284    HE2  PHE  44           HE2      PHE  44  18.009  11.533  -5.781
  285    HZ   PHE  44           HZ       PHE  44  15.688  10.729  -5.430
  286    H    LYS  45           H        LYS  45  21.380   8.857  -8.210
  287    HA   LYS  45           HA       LYS  45  21.727   8.196  -5.298
  288    HB2  LYS  45           2HB      LYS  45  23.447   7.503  -7.222
  289    HB3  LYS  45           1HB      LYS  45  23.989   9.168  -7.013
  290    HG2  LYS  45           2HG      LYS  45  25.110   8.577  -5.140
  291    HG3  LYS  45           1HG      LYS  45  23.599   8.025  -4.414
  292    HD2  LYS  45           2HD      LYS  45  24.980   6.274  -6.425
  293    HD3  LYS  45           1HD      LYS  45  25.584   6.318  -4.770
  294    HE2  LYS  45           2HE      LYS  45  22.632   5.926  -5.255
  295    HE3  LYS  45           1HE      LYS  45  23.741   4.548  -5.396
  296    HZ1  LYS  45           3HZ      LYS  45  22.964   4.794  -3.120
  297    HZ2  LYS  45           1HZ      LYS  45  23.549   6.380  -3.053
  298    HZ3  LYS  45           2HZ      LYS  45  24.631   5.078  -3.206
  299    H    ILE  46           H        ILE  46  23.837  10.368  -5.257
  300    HA   ILE  46           HA       ILE  46  22.038  12.619  -4.699
  301    HB   ILE  46           HB       ILE  46  25.054  12.248  -4.507
  302   HG12  ILE  46          2HG1      ILE  46  23.412  12.331  -2.053
  303   HG13  ILE  46          1HG1      ILE  46  23.100  10.930  -3.078
  304   HG21  ILE  46          1HG2      ILE  46  25.015  14.180  -3.025
  305   HG22  ILE  46          2HG2      ILE  46  23.260  14.292  -3.167
  306   HG23  ILE  46          3HG2      ILE  46  24.282  14.627  -4.565
  307   HD11  ILE  46          3HD1      ILE  46  24.894  10.080  -1.927
  308   HD12  ILE  46          1HD1      ILE  46  25.563  11.676  -1.590
  309   HD13  ILE  46          2HD1      ILE  46  25.793  10.941  -3.175
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1 -10.758  -6.390 -10.856
    2    H2   GLY   1           2H       GLY   1 -10.079  -4.981 -10.202
    3    H3   GLY   1           3H       GLY   1 -11.587  -4.913 -10.985
    4    HA2  GLY   1           2HA      GLY   1 -12.201  -6.688  -9.149
    5    HA3  GLY   1           1HA      GLY   1 -10.907  -5.841  -8.297
    6    HA   HYP   2           HA       HYP   2 -14.807  -3.396  -7.779
    7    HB2  HYP   2           1HB      HYP   2 -14.593  -3.079  -5.073
    8    HB3  HYP   2           2HB      HYP   2 -15.363  -4.496  -5.814
    9    HG   HYP   2           HG       HYP   2 -12.623  -4.189  -4.703
   10   HD22  HYP   2          1HD       HYP   2 -13.097  -6.425  -6.590
   11   HD23  HYP   2          2HD       HYP   2 -11.623  -5.490  -6.268
   12    HD1  HYP   2           HOD      HYP   2 -14.387  -6.438  -4.776
   13    H    SER   3           H        SER   3 -14.854  -1.188  -6.337
   14    HA   SER   3           HA       SER   3 -12.357   0.286  -7.044
   15    HB2  SER   3           2HB      SER   3 -15.258   0.830  -6.929
   16    HB3  SER   3           1HB      SER   3 -14.262   2.138  -6.294
   17    HG   SER   3           HG       SER   3 -13.340   2.406  -8.225
   18    H    PHE   4           H        PHE   4 -12.968  -1.389  -4.472
   19    HA   PHE   4           HA       PHE   4 -12.563   0.768  -2.438
   20    HB2  PHE   4           2HB      PHE   4 -13.481  -2.121  -2.352
   21    HB3  PHE   4           1HB      PHE   4 -13.059  -1.239  -0.889
   22    HD1  PHE   4           HD1      PHE   4 -14.198   1.333  -2.795
   23    HD2  PHE   4           HD2      PHE   4 -15.713  -2.243  -0.951
   24    HE1  PHE   4           HE1      PHE   4 -16.464   2.317  -2.745
   25    HE2  PHE   4           HE2      PHE   4 -17.977  -1.254  -0.899
   26    HZ   PHE   4           HZ       PHE   4 -18.359   1.028  -1.798
   27    H    CYS   5           H        CYS   5 -11.193  -0.814  -0.511
   28    HA   CYS   5           HA       CYS   5  -8.760  -1.786  -1.928
   29    HB2  CYS   5           2HB      CYS   5  -7.532  -0.348  -0.098
   30    HB3  CYS   5           1HB      CYS   5  -8.115   0.417  -1.571
   31    H    LYS   6           H        LYS   6  -7.269  -2.951  -0.466
   32    HA   LYS   6           HA       LYS   6  -8.680  -4.737   1.347
   33    HB2  LYS   6           2HB      LYS   6  -6.573  -4.948  -0.299
   34    HB3  LYS   6           1HB      LYS   6  -5.696  -4.537   1.171
   35    HG2  LYS   6           2HG      LYS   6  -5.788  -6.903   1.148
   36    HG3  LYS   6           1HG      LYS   6  -7.029  -6.418   2.303
   37    HD2  LYS   6           2HD      LYS   6  -8.266  -6.439  -0.258
   38    HD3  LYS   6           1HD      LYS   6  -7.332  -7.931  -0.126
   39    HE2  LYS   6           2HE      LYS   6  -8.416  -8.147   2.247
   40    HE3  LYS   6           1HE      LYS   6  -9.592  -6.965   1.634
   41    HZ1  LYS   6           3HZ      LYS   6 -10.143  -8.359  -0.172
   42    HZ2  LYS   6           1HZ      LYS   6 -10.129  -9.376   1.182
   43    HZ3  LYS   6           2HZ      LYS   6  -8.824  -9.391   0.101
   44    H    ALA   7           H        ALA   7  -7.371  -5.170   3.564
   45    HA   ALA   7           HA       ALA   7  -7.247  -2.537   4.988
   46    HB1  ALA   7           3HB      ALA   7  -8.774  -4.712   5.454
   47    HB2  ALA   7           1HB      ALA   7  -8.224  -3.651   6.750
   48    HB3  ALA   7           2HB      ALA   7  -7.360  -5.151   6.415
   49    H    ASP   8           H        ASP   8  -5.755  -2.807   7.051
   50    HA   ASP   8           HA       ASP   8  -3.043  -3.072   6.119
   51    HB2  ASP   8           2HB      ASP   8  -4.242  -2.896   8.903
   52    HB3  ASP   8           1HB      ASP   8  -2.539  -2.646   8.521
   53    H    GLU   9           H        GLU   9  -1.506  -4.449   7.687
   54    HA   GLU   9           HA       GLU   9  -0.810  -6.558   8.501
   55    HB2  GLU   9           2HB      GLU   9  -3.458  -6.337   9.221
   56    HB3  GLU   9           1HB      GLU   9  -3.460  -7.820   8.270
   57    HG2  GLU   9           2HG      GLU   9  -2.749  -8.839  10.179
   58    HG3  GLU   9           1HG      GLU   9  -1.183  -8.108   9.820
   59    H    LYS  10           H        LYS  10  -3.444  -7.102   6.149
   60    HA   LYS  10           HA       LYS  10  -2.051  -9.311   4.831
   61    HB2  LYS  10           2HB      LYS  10  -3.995  -8.918   3.140
   62    HB3  LYS  10           1HB      LYS  10  -4.422  -9.393   4.778
   63    HG2  LYS  10           2HG      LYS  10  -4.212  -6.491   4.483
   64    HG3  LYS  10           1HG      LYS  10  -5.412  -7.190   3.399
   65    HD2  LYS  10           2HD      LYS  10  -5.274  -7.653   6.401
   66    HD3  LYS  10           1HD      LYS  10  -6.422  -6.599   5.581
   67    HE2  LYS  10           2HE      LYS  10  -7.765  -8.350   5.011
   68    HE3  LYS  10           1HE      LYS  10  -6.386  -9.330   4.470
   69    HZ1  LYS  10           3HZ      LYS  10  -5.895  -9.979   6.662
   70    HZ2  LYS  10           1HZ      LYS  10  -7.583 -10.106   6.569
   71    HZ3  LYS  10           2HZ      LYS  10  -6.877  -8.772   7.348
   72    HA   HYP  11           HA       HYP  11   0.232  -6.257   2.432
   73    HB2  HYP  11           1HB      HYP  11   2.435  -7.799   2.059
   74    HB3  HYP  11           2HB      HYP  11   2.104  -6.931   3.563
   75    HG   HYP  11           HG       HYP  11   2.102  -8.931   4.568
   76   HD22  HYP  11          1HD       HYP  11  -0.072  -9.290   4.931
   77   HD23  HYP  11          2HD       HYP  11  -0.221 -10.106   3.362
   78    HD1  HYP  11           HOD      HYP  11   3.000  -9.795   2.494
   79    H    CYS  12           H        CYS  12   1.709  -6.615   0.334
   80    HA   CYS  12           HA       CYS  12   1.067  -8.803  -1.449
   81    HB2  CYS  12           2HB      CYS  12  -0.495  -7.637  -2.926
   82    HB3  CYS  12           1HB      CYS  12  -1.138  -7.605  -1.281
   83    H    GLU  13           H        GLU  13   1.284  -7.346  -3.923
   84    HA   GLU  13           HA       GLU  13   4.124  -6.494  -3.735
   85    HB2  GLU  13           2HB      GLU  13   2.615  -8.067  -5.482
   86    HB3  GLU  13           1HB      GLU  13   2.877  -6.572  -6.379
   87    HG2  GLU  13           2HG      GLU  13   5.327  -7.268  -5.069
   88    HG3  GLU  13           1HG      GLU  13   4.728  -8.684  -5.935
   89    H    TYR  14           H        TYR  14   1.102  -5.276  -5.271
   90    HA   TYR  14           HA       TYR  14   2.290  -2.681  -5.886
   91    HB2  TYR  14           2HB      TYR  14  -0.650  -3.359  -5.676
   92    HB3  TYR  14           1HB      TYR  14   0.098  -2.124  -6.682
   93    HD1  TYR  14           HD2      TYR  14   2.330  -3.523  -7.979
   94    HD2  TYR  14           HD1      TYR  14  -1.626  -4.911  -7.065
   95    HE1  TYR  14           HE2      TYR  14   2.482  -5.146  -9.839
   96    HE2  TYR  14           HE1      TYR  14  -1.483  -6.541  -8.928
   97    HH   TYR  14           HH       TYR  14   0.734  -7.737 -10.175
   98    H    HIS  15           H        HIS  15   1.877  -0.676  -4.818
   99    HA   HIS  15           HA       HIS  15   1.301  -0.909  -1.927
  100    HB2  HIS  15           2HB      HIS  15   2.037   1.387  -3.772
  101    HB3  HIS  15           1HB      HIS  15   1.847   1.562  -2.028
  102    HD1  HIS  15           HD1      HIS  15   3.392  -0.346  -0.641
  103    HD2  HIS  15           HD2      HIS  15   4.657   0.811  -4.443
  104    HE1  HIS  15           HE1      HIS  15   5.845  -0.945  -0.794
  105    H    ALA  16           H        ALA  16  -0.838  -1.085  -4.315
  106    HA   ALA  16           HA       ALA  16  -2.686   0.982  -3.166
  107    HB1  ALA  16           3HB      ALA  16  -3.773   0.900  -5.382
  108    HB2  ALA  16           1HB      ALA  16  -2.643  -0.357  -5.890
  109    HB3  ALA  16           2HB      ALA  16  -2.055   1.267  -5.532
  110    H    ASP  17           H        ASP  17  -2.153  -2.384  -3.232
  111    HA   ASP  17           HA       ASP  17  -4.740  -3.500  -3.545
  112    HB2  ASP  17           2HB      ASP  17  -2.246  -4.386  -2.914
  113    HB3  ASP  17           1HB      ASP  17  -3.021  -4.519  -1.337
  114    H    CYS  18           H        CYS  18  -3.208  -2.139  -0.617
  115    HA   CYS  18           HA       CYS  18  -5.777  -2.340   0.865
  116    HB2  CYS  18           2HB      CYS  18  -2.945  -1.571   1.618
  117    HB3  CYS  18           1HB      CYS  18  -4.288  -1.566   2.762
  118    H    CYS  19           H        CYS  19  -6.490  -0.367   2.093
  119    HA   CYS  19           HA       CYS  19  -6.946   1.877   0.402
  120    HB2  CYS  19           2HB      CYS  19  -7.011   1.667   3.420
  121    HB3  CYS  19           1HB      CYS  19  -7.850   2.880   2.453
  122    H    ASN  20           H        ASN  20  -3.969   1.178   1.977
  123    HA   ASN  20           HA       ASN  20  -3.111   4.002   1.523
  124    HB2  ASN  20           2HB      ASN  20  -2.554   2.463   4.080
  125    HB3  ASN  20           1HB      ASN  20  -2.157   4.142   3.744
  126   HD21  ASN  20          1HD2      ASN  20  -4.692   1.993   4.803
  127   HD22  ASN  20          2HD2      ASN  20  -5.891   3.175   4.982
  128    H    CYS  21           H        CYS  21  -1.506   1.211   3.140
  129    HA   CYS  21           HA       CYS  21   0.460   1.176   0.866
  130    HB2  CYS  21           2HB      CYS  21   0.787   1.445   3.838
  131    HB3  CYS  21           1HB      CYS  21   2.052   0.635   2.915
  132    H    CYS  22           H        CYS  22   1.504  -0.926   0.564
  133    HA   CYS  22           HA       CYS  22   0.366  -3.236   2.057
  134    HB2  CYS  22           2HB      CYS  22  -1.141  -2.589   0.153
  135    HB3  CYS  22           1HB      CYS  22   0.197  -2.877  -0.953
  136    H    LEU  23           H        LEU  23   2.902  -2.892   2.549
  137    HA   LEU  23           HA       LEU  23   4.709  -3.725   0.406
  138    HB2  LEU  23           2HB      LEU  23   4.844  -3.112   3.338
  139    HB3  LEU  23           1HB      LEU  23   6.189  -3.986   2.602
  140    HG   LEU  23           HG       LEU  23   5.119  -1.491   1.296
  141   HD11  LEU  23          1HD1      LEU  23   6.795  -0.185   2.540
  142   HD12  LEU  23          2HD1      LEU  23   7.204  -1.615   3.489
  143   HD13  LEU  23          3HD1      LEU  23   5.604  -0.888   3.634
  144   HD21  LEU  23          3HD2      LEU  23   7.479  -1.371   0.505
  145   HD22  LEU  23          1HD2      LEU  23   6.701  -2.882   0.038
  146   HD23  LEU  23          2HD2      LEU  23   7.830  -2.855   1.391
  147    H    SER  24           H        SER  24   5.683  -5.753   0.147
  148    HA   SER  24           HA       SER  24   4.281  -8.096   0.427
  149    HB2  SER  24           2HB      SER  24   6.908  -8.910   0.794
  150    HB3  SER  24           1HB      SER  24   6.145  -8.557  -0.753
  151    HG   SER  24           HG       SER  24   7.331  -6.826  -0.902
  152    H    GLY  25           H        GLY  25   6.287  -6.645   2.947
  153    HA2  GLY  25           2HA      GLY  25   6.193  -8.857   4.776
  154    HA3  GLY  25           1HA      GLY  25   6.519  -7.180   5.222
  155    H    ILE  26           H        ILE  26   4.237  -5.838   4.656
  156    HA   ILE  26           HA       ILE  26   1.821  -7.245   5.472
  157    HB   ILE  26           HB       ILE  26   3.710  -6.261   7.439
  158   HG12  ILE  26          2HG1      ILE  26   0.979  -7.441   7.956
  159   HG13  ILE  26          1HG1      ILE  26   2.305  -8.421   7.333
  160   HG21  ILE  26          1HG2      ILE  26   2.134  -5.026   8.884
  161   HG22  ILE  26          2HG2      ILE  26   0.917  -5.083   7.610
  162   HG23  ILE  26          3HG2      ILE  26   2.406  -4.167   7.367
  163   HD11  ILE  26          3HD1      ILE  26   2.244  -8.570   9.773
  164   HD12  ILE  26          1HD1      ILE  26   2.323  -6.814   9.902
  165   HD13  ILE  26          2HD1      ILE  26   3.699  -7.716   9.263
  166    H    CYS  27           H        CYS  27  -0.055  -5.761   5.504
  167    HA   CYS  27           HA       CYS  27   0.348  -3.364   3.820
  168    HB2  CYS  27           2HB      CYS  27  -1.794  -5.199   4.520
  169    HB3  CYS  27           1HB      CYS  27  -2.318  -3.528   4.699
  170    H    ALA  28           H        ALA  28  -0.082  -1.215   4.551
  171    HA   ALA  28           HA       ALA  28  -0.735  -0.835   7.428
  172    HB1  ALA  28           3HB      ALA  28   1.900  -0.707   6.172
  173    HB2  ALA  28           1HB      ALA  28   1.481  -0.695   7.885
  174    HB3  ALA  28           2HB      ALA  28   1.476   0.811   6.968
  175    HA   HYP  29           HA       HYP  29  -2.580   2.913   6.063
  176    HB2  HYP  29           1HB      HYP  29  -1.893   4.698   8.020
  177    HB3  HYP  29           2HB      HYP  29  -3.067   3.392   8.280
  178    HG   HYP  29           HG       HYP  29  -0.187   3.530   9.010
  179   HD22  HYP  29          1HD       HYP  29  -1.496   0.871   8.861
  180   HD23  HYP  29          2HD       HYP  29   0.204   1.326   8.612
  181    HD1  HYP  29           HOD      HYP  29  -2.339   2.203  10.325
  182    H    SER  30           H        SER  30  -1.990   5.403   5.700
  183    HA   SER  30           HA       SER  30   0.588   5.441   4.235
  184    HB2  SER  30           2HB      SER  30  -0.605   7.850   3.785
  185    HB3  SER  30           1HB      SER  30  -0.989   6.394   2.872
  186    HG   SER  30           HG       SER  30  -2.926   7.080   3.608
  187    H    THR  31           H        THR  31   0.252   5.746   7.345
  188    HA   THR  31           HA       THR  31   1.126   8.481   7.884
  189    HB   THR  31           HB       THR  31   1.646   6.436   9.935
  190    HG1  THR  31           HG1      THR  31  -0.439   5.703  10.117
  191   HG21  THR  31          3HG2      THR  31   0.187   7.884  11.253
  192   HG22  THR  31          1HG2      THR  31  -0.334   8.727   9.794
  193   HG23  THR  31          2HG2      THR  31   1.337   8.866  10.344
  194    H    ASN  32           H        ASN  32   2.889   7.967   6.075
  195    HA   ASN  32           HA       ASN  32   5.337   6.884   7.424
  196    HB2  ASN  32           2HB      ASN  32   4.713   7.127   4.460
  197    HB3  ASN  32           1HB      ASN  32   6.074   6.271   5.178
  198   HD21  ASN  32          1HD2      ASN  32   4.377   5.098   7.391
  199   HD22  ASN  32          2HD2      ASN  32   3.429   3.909   6.643
  200    H    TRP  33           H        TRP  33   7.344   8.020   6.867
  201    HA   TRP  33           HA       TRP  33   7.018  10.785   5.815
  202    HB2  TRP  33           2HB      TRP  33   8.639  11.324   7.900
  203    HB3  TRP  33           1HB      TRP  33   6.889  11.402   8.035
  204    HD1  TRP  33           HD1      TRP  33   5.756   8.925   8.837
  205    HE1  TRP  33           HE1      TRP  33   6.566   7.407  10.759
  206    HE3  TRP  33           HE3      TRP  33  10.562  10.575   9.276
  207    HZ2  TRP  33           HZ2      TRP  33   8.937   6.963  12.279
  208    HZ3  TRP  33           HZ3      TRP  33  12.089   9.588  10.973
  209    HH2  TRP  33           HH2      TRP  33  11.277   7.777  12.478
  210    H    ILE  34           H        ILE  34   9.548   8.759   7.369
  211    HA   ILE  34           HA       ILE  34  11.309   9.349   5.009
  212    HB   ILE  34           HB       ILE  34  12.015   8.801   7.910
  213   HG12  ILE  34          2HG1      ILE  34  12.144  11.393   6.338
  214   HG13  ILE  34          1HG1      ILE  34  10.850  10.983   7.465
  215   HG21  ILE  34          1HG2      ILE  34  13.713   9.669   5.547
  216   HG22  ILE  34          2HG2      ILE  34  13.797   8.110   6.367
  217   HG23  ILE  34          3HG2      ILE  34  14.273   9.580   7.217
  218   HD11  ILE  34          3HD1      ILE  34  12.318  12.207   8.819
  219   HD12  ILE  34          1HD1      ILE  34  13.750  11.531   8.042
  220   HD13  ILE  34          2HD1      ILE  34  12.799  10.543   9.151
  221    H    LEU  35           H        LEU  35   9.726   6.877   6.757
  222    HA   LEU  35           HA       LEU  35  11.433   4.642   6.627
  223    HB2  LEU  35           2HB      LEU  35   8.510   5.190   6.596
  224    HB3  LEU  35           1HB      LEU  35   8.991   3.577   6.070
  225    HG   LEU  35           HG       LEU  35  10.314   4.603   8.531
  226   HD11  LEU  35          1HD1      LEU  35   7.379   3.874   8.378
  227   HD12  LEU  35          2HD1      LEU  35   8.089   5.345   9.043
  228   HD13  LEU  35          3HD1      LEU  35   8.307   3.806   9.876
  229   HD21  LEU  35          3HD2      LEU  35  10.381   2.324   9.082
  230   HD22  LEU  35          1HD2      LEU  35  10.470   2.273   7.320
  231   HD23  LEU  35          2HD2      LEU  35   8.939   1.954   8.137
  232    HA   PRO  36           HA       PRO  36  11.902   4.581   2.145
  233    HB2  PRO  36           2HB      PRO  36  13.835   2.636   2.115
  234    HB3  PRO  36           1HB      PRO  36  14.174   4.342   2.473
  235    HG2  PRO  36           2HG      PRO  36  13.850   2.047   4.348
  236    HG3  PRO  36           1HG      PRO  36  14.998   3.396   4.401
  237    HD2  PRO  36           2HD      PRO  36  12.760   3.294   5.939
  238    HD3  PRO  36           1HD      PRO  36  13.493   4.815   5.383
  239    H    GLY  37           H        GLY  37   9.659   3.616   2.184
  240    HA2  GLY  37           2HA      GLY  37   9.673   0.951   1.037
  241    HA3  GLY  37           1HA      GLY  37   8.988   0.948   2.662
  242    H    CYS  38           H        CYS  38   7.688   3.475   2.616
  243    HA   CYS  38           HA       CYS  38   5.821   3.362   0.294
  244    HB2  CYS  38           2HB      CYS  38   5.309   1.925   2.539
  245    HB3  CYS  38           1HB      CYS  38   4.598   3.469   3.003
  246    H    SER  39           H        SER  39   5.277   5.431  -0.306
  247    HA   SER  39           HA       SER  39   5.299   7.596   1.758
  248    HB2  SER  39           2HB      SER  39   6.708   7.754  -0.924
  249    HB3  SER  39           1HB      SER  39   6.765   8.942   0.375
  250    HG   SER  39           HG       SER  39   7.644   7.071   1.659
  251    H    THR  40           H        THR  40   2.960   6.540   0.763
  252    HA   THR  40           HA       THR  40   2.091   8.368  -1.439
  253    HB   THR  40           HB       THR  40   0.127   6.634  -1.353
  254    HG1  THR  40           HG1      THR  40   0.433   4.917  -0.153
  255   HG21  THR  40          3HG2      THR  40   1.320   5.167  -2.839
  256   HG22  THR  40          1HG2      THR  40   2.872   5.631  -2.145
  257   HG23  THR  40          2HG2      THR  40   1.945   6.797  -3.093
  258    H    SER  41           H        SER  41  -0.507   8.696  -1.072
  259    HA   SER  41           HA       SER  41  -1.038   9.438   1.770
  260    HB2  SER  41           2HB      SER  41  -1.868  11.685   0.746
  261    HB3  SER  41           1HB      SER  41  -0.132  11.460   0.944
  262    HG   SER  41           HG       SER  41  -0.738  12.238  -1.160
  263    H    SER  42           H        SER  42  -3.270   9.350   2.280
  264    HA   SER  42           HA       SER  42  -5.173   8.872   0.024
  265    HB2  SER  42           2HB      SER  42  -6.109   7.140   1.885
  266    HB3  SER  42           1HB      SER  42  -4.944   6.668   0.655
  267    HG   SER  42           HG       SER  42  -4.515   6.228   3.033
  268    H    PHE  43           H        PHE  43  -6.143  10.923   0.340
  269    HA   PHE  43           HA       PHE  43  -7.078  11.689   3.040
  270    HB2  PHE  43           2HB      PHE  43  -6.093  13.088   0.963
  271    HB3  PHE  43           1HB      PHE  43  -7.810  13.208   0.581
  272    HD1  PHE  43           HD1      PHE  43  -9.254  13.524   2.959
  273    HD2  PHE  43           HD2      PHE  43  -5.281  14.937   2.123
  274    HE1  PHE  43           HE1      PHE  43  -9.517  15.291   4.678
  275    HE2  PHE  43           HE2      PHE  43  -5.549  16.703   3.838
  276    HZ   PHE  43           HZ       PHE  43  -7.670  16.881   5.118
  277    H    PHE  44           H        PHE  44  -8.411  10.575  -0.027
  278    HA   PHE  44           HA       PHE  44 -11.188  11.037   0.610
  279    HB2  PHE  44           2HB      PHE  44 -10.119  10.674  -1.667
  280    HB3  PHE  44           1HB      PHE  44  -9.989   8.963  -1.254
  281    HD1  PHE  44           HD2      PHE  44 -12.597  11.665  -1.007
  282    HD2  PHE  44           HD1      PHE  44 -11.692   7.608  -2.083
  283    HE1  PHE  44           HE2      PHE  44 -14.947  11.324  -1.679
  284    HE2  PHE  44           HE1      PHE  44 -14.047   7.261  -2.757
  285    HZ   PHE  44           HZ       PHE  44 -15.680   9.118  -2.559
  286    H    LYS  45           H        LYS  45 -11.361  10.174   2.796
  287    HA   LYS  45           HA       LYS  45 -11.868   7.242   2.854
  288    HB2  LYS  45           2HB      LYS  45 -10.435   7.000   4.823
  289    HB3  LYS  45           1HB      LYS  45  -9.495   7.738   3.527
  290    HG2  LYS  45           2HG      LYS  45 -10.105  10.004   4.527
  291    HG3  LYS  45           1HG      LYS  45 -10.736   9.125   5.920
  292    HD2  LYS  45           2HD      LYS  45  -8.419   7.955   5.963
  293    HD3  LYS  45           1HD      LYS  45  -7.894   9.290   4.935
  294    HE2  LYS  45           2HE      LYS  45  -9.142  10.737   6.824
  295    HE3  LYS  45           1HE      LYS  45  -8.713   9.328   7.814
  296    HZ1  LYS  45           3HZ      LYS  45  -6.798  10.599   7.910
  297    HZ2  LYS  45           1HZ      LYS  45  -6.929  11.138   6.308
  298    HZ3  LYS  45           2HZ      LYS  45  -6.441   9.542   6.633
  299    H    ILE  46           H        ILE  46 -12.085   7.473   5.855
  300    HA   ILE  46           HA       ILE  46 -14.836   8.484   5.978
  301    HB   ILE  46           HB       ILE  46 -12.964   7.379   8.103
  302   HG12  ILE  46          2HG1      ILE  46 -13.367   5.824   6.178
  303   HG13  ILE  46          1HG1      ILE  46 -14.042   5.227   7.691
  304   HG21  ILE  46          1HG2      ILE  46 -14.771   8.461   9.216
  305   HG22  ILE  46          2HG2      ILE  46 -15.220   6.755   9.162
  306   HG23  ILE  46          3HG2      ILE  46 -15.941   7.893   8.026
  307   HD11  ILE  46          3HD1      ILE  46 -16.042   5.068   6.686
  308   HD12  ILE  46          1HD1      ILE  46 -15.405   5.809   5.219
  309   HD13  ILE  46          2HD1      ILE  46 -16.058   6.822   6.508
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1 -13.949   0.880   7.940
    2    H2   GLY   1           2H       GLY   1 -15.342   1.736   7.480
    3    H3   GLY   1           3H       GLY   1 -14.455   2.218   8.848
    4    HA2  GLY   1           2HA      GLY   1 -13.651   3.731   7.380
    5    HA3  GLY   1           1HA      GLY   1 -12.521   2.408   7.095
    6    HA   HYP   2           HA       HYP   2 -14.345   3.451   3.012
    7    HB2  HYP   2           1HB      HYP   2 -12.052   2.938   1.596
    8    HB3  HYP   2           2HB      HYP   2 -12.386   4.503   2.361
    9    HG   HYP   2           HG       HYP   2 -10.712   2.238   3.323
   10   HD22  HYP   2          1HD       HYP   2 -11.668   4.274   5.274
   11   HD23  HYP   2          2HD       HYP   2 -11.233   2.569   5.523
   12    HD1  HYP   2           HOD      HYP   2  -9.793   4.531   4.178
   13    H    SER   3           H        SER   3 -15.559   1.799   2.154
   14    HA   SER   3           HA       SER   3 -14.630  -1.004   2.397
   15    HB2  SER   3           2HB      SER   3 -17.224   0.005   1.222
   16    HB3  SER   3           1HB      SER   3 -16.917  -1.520   2.048
   17    HG   SER   3           HG       SER   3 -17.956   0.418   3.204
   18    H    PHE   4           H        PHE   4 -12.896  -0.120   0.632
   19    HA   PHE   4           HA       PHE   4 -13.652  -1.388  -1.890
   20    HB2  PHE   4           2HB      PHE   4 -14.655   0.948  -1.960
   21    HB3  PHE   4           1HB      PHE   4 -13.012   1.586  -1.885
   22    HD1  PHE   4           HD2      PHE   4 -14.420  -1.380  -3.720
   23    HD2  PHE   4           HD1      PHE   4 -12.500   2.454  -4.009
   24    HE1  PHE   4           HE2      PHE   4 -14.176  -1.682  -6.166
   25    HE2  PHE   4           HE1      PHE   4 -12.262   2.143  -6.459
   26    HZ   PHE   4           HZ       PHE   4 -13.092   0.074  -7.528
   27    H    CYS   5           H        CYS   5 -11.630  -1.996  -0.056
   28    HA   CYS   5           HA       CYS   5  -9.267  -2.075  -1.675
   29    HB2  CYS   5           2HB      CYS   5  -7.902  -0.437  -0.405
   30    HB3  CYS   5           1HB      CYS   5  -9.276   0.361  -1.166
   31    H    LYS   6           H        LYS   6  -7.353  -2.895  -0.306
   32    HA   LYS   6           HA       LYS   6  -8.332  -4.854   1.642
   33    HB2  LYS   6           2HB      LYS   6  -6.408  -4.885  -0.230
   34    HB3  LYS   6           1HB      LYS   6  -5.432  -4.323   1.122
   35    HG2  LYS   6           2HG      LYS   6  -5.344  -6.763   1.000
   36    HG3  LYS   6           1HG      LYS   6  -6.197  -6.271   2.462
   37    HD2  LYS   6           2HD      LYS   6  -7.924  -7.565   1.796
   38    HD3  LYS   6           1HD      LYS   6  -8.188  -6.420   0.481
   39    HE2  LYS   6           2HE      LYS   6  -6.107  -8.589   0.201
   40    HE3  LYS   6           1HE      LYS   6  -7.814  -8.938  -0.136
   41    HZ1  LYS   6           3HZ      LYS   6  -7.773  -6.845  -1.528
   42    HZ2  LYS   6           1HZ      LYS   6  -6.924  -8.162  -2.157
   43    HZ3  LYS   6           2HZ      LYS   6  -6.072  -6.886  -1.416
   44    H    ALA   7           H        ALA   7  -7.417  -4.974   3.839
   45    HA   ALA   7           HA       ALA   7  -7.074  -2.270   5.043
   46    HB1  ALA   7           3HB      ALA   7  -8.743  -4.226   5.689
   47    HB2  ALA   7           1HB      ALA   7  -8.007  -3.236   6.949
   48    HB3  ALA   7           2HB      ALA   7  -7.350  -4.831   6.586
   49    H    ASP   8           H        ASP   8  -5.633  -2.457   7.153
   50    HA   ASP   8           HA       ASP   8  -2.915  -2.846   6.307
   51    HB2  ASP   8           2HB      ASP   8  -4.293  -2.364   8.954
   52    HB3  ASP   8           1HB      ASP   8  -2.540  -2.495   8.833
   53    H    GLU   9           H        GLU   9  -1.440  -4.237   7.907
   54    HA   GLU   9           HA       GLU   9  -0.816  -6.362   8.751
   55    HB2  GLU   9           2HB      GLU   9  -3.181  -6.064   9.813
   56    HB3  GLU   9           1HB      GLU   9  -3.725  -7.161   8.546
   57    HG2  GLU   9           2HG      GLU   9  -1.924  -8.776   9.308
   58    HG3  GLU   9           1HG      GLU   9  -1.666  -7.721  10.699
   59    H    LYS  10           H        LYS  10  -3.530  -6.842   6.473
   60    HA   LYS  10           HA       LYS  10  -2.109  -9.011   5.080
   61    HB2  LYS  10           2HB      LYS  10  -4.183  -8.537   3.443
   62    HB3  LYS  10           1HB      LYS  10  -4.398  -9.398   4.960
   63    HG2  LYS  10           2HG      LYS  10  -4.633  -6.420   5.029
   64    HG3  LYS  10           1HG      LYS  10  -5.936  -7.318   4.253
   65    HD2  LYS  10           2HD      LYS  10  -4.927  -8.182   6.955
   66    HD3  LYS  10           1HD      LYS  10  -6.071  -6.847   6.829
   67    HE2  LYS  10           2HE      LYS  10  -7.803  -8.261   6.419
   68    HE3  LYS  10           1HE      LYS  10  -6.877  -9.146   5.191
   69    HZ1  LYS  10           3HZ      LYS  10  -5.754 -10.381   6.863
   70    HZ2  LYS  10           1HZ      LYS  10  -7.402 -10.454   7.248
   71    HZ3  LYS  10           2HZ      LYS  10  -6.375  -9.411   8.113
   72    HA   HYP  11           HA       HYP  11  -0.082  -5.839   2.655
   73    HB2  HYP  11           1HB      HYP  11   1.981  -7.415   1.827
   74    HB3  HYP  11           2HB      HYP  11   1.908  -6.658   3.423
   75    HG   HYP  11           HG       HYP  11   2.000  -8.726   4.238
   76   HD22  HYP  11          1HD       HYP  11  -0.079  -8.897   5.003
   77   HD23  HYP  11          2HD       HYP  11  -0.534  -9.747   3.513
   78    HD1  HYP  11           HOD      HYP  11   0.972  -9.802   1.799
   79    H    CYS  12           H        CYS  12   1.163  -6.170   0.344
   80    HA   CYS  12           HA       CYS  12  -0.404  -7.951  -1.466
   81    HB2  CYS  12           2HB      CYS  12  -1.501  -6.226  -2.580
   82    HB3  CYS  12           1HB      CYS  12  -1.392  -5.498  -0.982
   83    H    GLU  13           H        GLU  13   0.491  -7.401  -3.877
   84    HA   GLU  13           HA       GLU  13   3.434  -7.643  -3.739
   85    HB2  GLU  13           2HB      GLU  13   1.959  -9.091  -5.162
   86    HB3  GLU  13           1HB      GLU  13   1.509  -7.666  -6.100
   87    HG2  GLU  13           2HG      GLU  13   3.378  -7.844  -7.336
   88    HG3  GLU  13           1HG      GLU  13   4.377  -7.796  -5.886
   89    H    TYR  14           H        TYR  14   1.028  -5.447  -5.243
   90    HA   TYR  14           HA       TYR  14   3.141  -3.556  -6.100
   91    HB2  TYR  14           2HB      TYR  14   0.111  -3.364  -6.220
   92    HB3  TYR  14           1HB      TYR  14   1.251  -2.373  -7.123
   93    HD1  TYR  14           HD1      TYR  14   3.240  -4.302  -8.075
   94    HD2  TYR  14           HD2      TYR  14  -1.023  -4.675  -7.735
   95    HE1  TYR  14           HE1      TYR  14   3.245  -5.974  -9.912
   96    HE2  TYR  14           HE2      TYR  14  -1.021  -6.350  -9.566
   97    HH   TYR  14           HH       TYR  14   1.275  -8.062 -10.507
   98    H    HIS  15           H        HIS  15   1.050  -1.308  -5.479
   99    HA   HIS  15           HA       HIS  15   1.398  -1.130  -2.521
  100    HB2  HIS  15           2HB      HIS  15   2.723   0.405  -4.663
  101    HB3  HIS  15           1HB      HIS  15   2.018   1.410  -3.397
  102    HD1  HIS  15           HD1      HIS  15   5.165   0.590  -3.987
  103    HD2  HIS  15           HD2      HIS  15   2.721  -0.654  -0.849
  104    HE1  HIS  15           HE1      HIS  15   6.710  -0.082  -2.096
  105    H    ALA  16           H        ALA  16  -0.924  -1.339  -4.637
  106    HA   ALA  16           HA       ALA  16  -2.447   1.029  -3.584
  107    HB1  ALA  16           3HB      ALA  16  -1.711   1.140  -6.006
  108    HB2  ALA  16           1HB      ALA  16  -3.456   1.259  -5.767
  109    HB3  ALA  16           2HB      ALA  16  -2.740  -0.259  -6.311
  110    H    ASP  17           H        ASP  17  -2.292  -2.224  -3.235
  111    HA   ASP  17           HA       ASP  17  -5.058  -3.019  -3.716
  112    HB2  ASP  17           2HB      ASP  17  -2.905  -4.431  -3.589
  113    HB3  ASP  17           1HB      ASP  17  -3.052  -4.292  -1.837
  114    H    CYS  18           H        CYS  18  -3.218  -1.864  -0.900
  115    HA   CYS  18           HA       CYS  18  -5.627  -2.081   0.839
  116    HB2  CYS  18           2HB      CYS  18  -2.687  -1.538   1.173
  117    HB3  CYS  18           1HB      CYS  18  -3.790  -1.011   2.440
  118    H    CYS  19           H        CYS  19  -6.372  -0.090   1.989
  119    HA   CYS  19           HA       CYS  19  -6.598   2.212   0.237
  120    HB2  CYS  19           2HB      CYS  19  -7.473   1.374   2.940
  121    HB3  CYS  19           1HB      CYS  19  -7.334   3.117   2.707
  122    H    ASN  20           H        ASN  20  -3.887   1.238   1.888
  123    HA   ASN  20           HA       ASN  20  -2.856   4.024   2.020
  124    HB2  ASN  20           2HB      ASN  20  -2.405   1.952   4.192
  125    HB3  ASN  20           1HB      ASN  20  -2.013   3.664   4.249
  126   HD21  ASN  20          1HD2      ASN  20  -4.635   1.318   4.508
  127   HD22  ASN  20          2HD2      ASN  20  -5.814   2.427   5.044
  128    H    CYS  21           H        CYS  21  -1.154   1.176   3.279
  129    HA   CYS  21           HA       CYS  21   0.485   1.056   0.764
  130    HB2  CYS  21           2HB      CYS  21   1.241   1.700   3.583
  131    HB3  CYS  21           1HB      CYS  21   2.368   0.704   2.665
  132    H    CYS  22           H        CYS  22   1.029  -1.062   0.188
  133    HA   CYS  22           HA       CYS  22   0.544  -3.223   2.221
  134    HB2  CYS  22           2HB      CYS  22  -0.353  -4.569   0.274
  135    HB3  CYS  22           1HB      CYS  22  -1.343  -3.186   0.709
  136    H    LEU  23           H        LEU  23   2.957  -3.037   2.501
  137    HA   LEU  23           HA       LEU  23   4.687  -3.608   0.212
  138    HB2  LEU  23           2HB      LEU  23   5.037  -3.414   3.214
  139    HB3  LEU  23           1HB      LEU  23   6.385  -3.765   2.133
  140    HG   LEU  23           HG       LEU  23   4.823  -1.501   1.173
  141   HD11  LEU  23          1HD1      LEU  23   5.424   0.061   2.956
  142   HD12  LEU  23          2HD1      LEU  23   6.141  -1.253   3.889
  143   HD13  LEU  23          3HD1      LEU  23   4.401  -1.220   3.607
  144   HD21  LEU  23          3HD2      LEU  23   6.999  -0.536   0.924
  145   HD22  LEU  23          1HD2      LEU  23   7.196  -2.254   0.581
  146   HD23  LEU  23          2HD2      LEU  23   7.687  -1.605   2.146
  147    H    SER  24           H        SER  24   6.161  -5.507   0.173
  148    HA   SER  24           HA       SER  24   4.779  -8.020   0.392
  149    HB2  SER  24           2HB      SER  24   7.452  -6.980  -0.364
  150    HB3  SER  24           1HB      SER  24   7.444  -8.648   0.198
  151    HG   SER  24           HG       SER  24   6.830  -7.846  -2.178
  152    H    GLY  25           H        GLY  25   4.158  -7.645   2.706
  153    HA2  GLY  25           2HA      GLY  25   5.458  -9.366   4.507
  154    HA3  GLY  25           1HA      GLY  25   6.069  -7.743   4.848
  155    H    ILE  26           H        ILE  26   3.882  -6.147   4.412
  156    HA   ILE  26           HA       ILE  26   1.435  -7.161   5.570
  157    HB   ILE  26           HB       ILE  26   3.639  -6.422   7.313
  158   HG12  ILE  26          2HG1      ILE  26   0.850  -7.139   8.194
  159   HG13  ILE  26          1HG1      ILE  26   1.878  -8.332   7.402
  160   HG21  ILE  26          1HG2      ILE  26   1.092  -4.813   7.673
  161   HG22  ILE  26          2HG2      ILE  26   2.694  -4.164   7.322
  162   HG23  ILE  26          3HG2      ILE  26   2.381  -4.952   8.868
  163   HD11  ILE  26          3HD1      ILE  26   3.331  -8.455   9.168
  164   HD12  ILE  26          1HD1      ILE  26   1.895  -7.957  10.063
  165   HD13  ILE  26          2HD1      ILE  26   3.107  -6.760   9.605
  166    H    CYS  27           H        CYS  27  -0.206  -5.490   5.698
  167    HA   CYS  27           HA       CYS  27   0.361  -3.154   3.971
  168    HB2  CYS  27           2HB      CYS  27  -1.975  -4.684   4.909
  169    HB3  CYS  27           1HB      CYS  27  -2.251  -2.943   4.844
  170    H    ALA  28           H        ALA  28   0.470  -1.038   4.711
  171    HA   ALA  28           HA       ALA  28   0.215  -0.628   7.675
  172    HB1  ALA  28           3HB      ALA  28   2.417  -0.365   5.879
  173    HB2  ALA  28           1HB      ALA  28   2.372   0.050   7.593
  174    HB3  ALA  28           2HB      ALA  28   1.964   1.266   6.382
  175    HA   HYP  29           HA       HYP  29  -2.697   2.567   6.826
  176    HB2  HYP  29           1HB      HYP  29  -2.133   4.308   8.872
  177    HB3  HYP  29           2HB      HYP  29  -3.002   2.777   9.103
  178    HG   HYP  29           HG       HYP  29  -0.112   3.390   9.511
  179   HD22  HYP  29          1HD       HYP  29  -1.077   0.570   9.237
  180   HD23  HYP  29          2HD       HYP  29   0.538   1.260   8.956
  181    HD1  HYP  29           HOD      HYP  29  -0.533   2.116  11.413
  182    H    SER  30           H        SER  30  -2.844   4.875   6.151
  183    HA   SER  30           HA       SER  30  -0.382   5.755   4.770
  184    HB2  SER  30           2HB      SER  30  -3.311   6.215   4.630
  185    HB3  SER  30           1HB      SER  30  -2.300   7.564   4.135
  186    HG   SER  30           HG       SER  30  -2.790   6.076   2.424
  187    H    THR  31           H        THR  31  -0.851   6.133   7.848
  188    HA   THR  31           HA       THR  31  -1.001   9.045   8.151
  189    HB   THR  31           HB       THR  31  -0.095   6.866  10.080
  190    HG1  THR  31           HG1      THR  31  -2.645   7.974   9.487
  191   HG21  THR  31          3HG2      THR  31  -0.445   8.442  11.796
  192   HG22  THR  31          1HG2      THR  31  -1.340   9.528  10.730
  193   HG23  THR  31          2HG2      THR  31   0.408   9.350  10.543
  194    H    ASN  32           H        ASN  32   1.481   6.650   7.601
  195    HA   ASN  32           HA       ASN  32   3.704   8.289   8.550
  196    HB2  ASN  32           2HB      ASN  32   3.469   5.774   6.870
  197    HB3  ASN  32           1HB      ASN  32   5.004   6.446   7.411
  198   HD21  ASN  32          1HD2      ASN  32   3.347   3.882   8.212
  199   HD22  ASN  32          2HD2      ASN  32   3.372   3.940   9.907
  200    H    TRP  33           H        TRP  33   5.566   8.468   6.765
  201    HA   TRP  33           HA       TRP  33   4.423   9.504   4.212
  202    HB2  TRP  33           2HB      TRP  33   6.279  11.415   4.715
  203    HB3  TRP  33           1HB      TRP  33   4.609  11.565   5.243
  204    HD1  TRP  33           HD1      TRP  33   4.184  10.480   7.848
  205    HE1  TRP  33           HE1      TRP  33   5.667  10.833   9.925
  206    HE3  TRP  33           HE3      TRP  33   8.541  11.913   5.604
  207    HZ2  TRP  33           HZ2      TRP  33   8.341  11.626  10.550
  208    HZ3  TRP  33           HZ3      TRP  33  10.536  12.458   6.954
  209    HH2  TRP  33           HH2      TRP  33  10.438  12.316   9.441
  210    H    ILE  34           H        ILE  34   7.594   9.268   5.882
  211    HA   ILE  34           HA       ILE  34   8.675   7.973   3.386
  212    HB   ILE  34           HB       ILE  34  10.079   9.611   5.528
  213   HG12  ILE  34          2HG1      ILE  34   9.372  10.395   2.685
  214   HG13  ILE  34          1HG1      ILE  34   8.420  10.874   4.089
  215   HG21  ILE  34          1HG2      ILE  34  11.934   8.704   4.601
  216   HG22  ILE  34          2HG2      ILE  34  11.552   9.642   3.158
  217   HG23  ILE  34          3HG2      ILE  34  11.004   7.971   3.294
  218   HD11  ILE  34          3HD1      ILE  34  11.198  11.710   3.307
  219   HD12  ILE  34          1HD1      ILE  34  10.739  11.719   5.010
  220   HD13  ILE  34          2HD1      ILE  34   9.850  12.707   3.851
  221    H    LEU  35           H        LEU  35   7.926   7.426   6.643
  222    HA   LEU  35           HA       LEU  35  10.029   5.729   7.530
  223    HB2  LEU  35           2HB      LEU  35   7.169   6.252   8.193
  224    HB3  LEU  35           1HB      LEU  35   7.860   4.756   8.816
  225    HG   LEU  35           HG       LEU  35   9.831   6.237   9.609
  226   HD11  LEU  35          1HD1      LEU  35   9.237   8.258   8.372
  227   HD12  LEU  35          2HD1      LEU  35   9.126   8.586  10.100
  228   HD13  LEU  35          3HD1      LEU  35   7.661   8.310   9.160
  229   HD21  LEU  35          3HD2      LEU  35   8.785   6.496  11.714
  230   HD22  LEU  35          1HD2      LEU  35   7.882   5.182  10.960
  231   HD23  LEU  35          2HD2      LEU  35   7.209   6.810  10.986
  232    HA   PRO  36           HA       PRO  36   7.642   2.010   5.776
  233    HB2  PRO  36           2HB      PRO  36   5.425   2.421   4.231
  234    HB3  PRO  36           1HB      PRO  36   5.358   2.288   5.999
  235    HG2  PRO  36           2HG      PRO  36   5.195   4.687   4.275
  236    HG3  PRO  36           1HG      PRO  36   4.426   4.360   5.834
  237    HD2  PRO  36           2HD      PRO  36   6.668   5.948   5.444
  238    HD3  PRO  36           1HD      PRO  36   6.158   5.245   6.991
  239    H    GLY  37           H        GLY  37   7.823   0.917   3.659
  240    HA2  GLY  37           2HA      GLY  37   9.471   2.390   1.772
  241    HA3  GLY  37           1HA      GLY  37   8.962   0.712   1.597
  242    H    CYS  38           H        CYS  38   7.257   3.866   1.731
  243    HA   CYS  38           HA       CYS  38   6.361   3.742  -1.010
  244    HB2  CYS  38           2HB      CYS  38   3.942   3.239  -0.467
  245    HB3  CYS  38           1HB      CYS  38   5.025   1.876  -0.207
  246    H    SER  39           H        SER  39   7.247   5.939  -0.547
  247    HA   SER  39           HA       SER  39   5.824   7.718   1.278
  248    HB2  SER  39           2HB      SER  39   7.303   9.328  -0.344
  249    HB3  SER  39           1HB      SER  39   7.978   8.430   1.007
  250    HG   SER  39           HG       SER  39   8.310   8.094  -1.700
  251    H    THR  40           H        THR  40   3.783   6.744  -0.192
  252    HA   THR  40           HA       THR  40   3.247   8.467  -2.534
  253    HB   THR  40           HB       THR  40   0.988   7.078  -2.206
  254    HG1  THR  40           HG1      THR  40   1.172   5.909  -0.461
  255   HG21  THR  40          3HG2      THR  40   1.830   5.928  -3.963
  256   HG22  THR  40          1HG2      THR  40   3.057   5.171  -2.949
  257   HG23  THR  40          2HG2      THR  40   3.363   6.750  -3.671
  258    H    SER  41           H        SER  41   2.248   8.153   0.841
  259    HA   SER  41           HA       SER  41   0.260  10.347   0.543
  260    HB2  SER  41           2HB      SER  41   0.969   8.793   3.057
  261    HB3  SER  41           1HB      SER  41  -0.568   9.538   2.626
  262    HG   SER  41           HG       SER  41  -0.598   7.255   2.322
  263    H    SER  42           H        SER  42   0.805  12.411   1.160
  264    HA   SER  42           HA       SER  42   3.238  12.803   2.873
  265    HB2  SER  42           2HB      SER  42   2.318  13.948   0.279
  266    HB3  SER  42           1HB      SER  42   3.044  15.091   1.405
  267    HG   SER  42           HG       SER  42   4.162  12.701   0.335
  268    H    PHE  43           H        PHE  43   3.143  14.880   4.139
  269    HA   PHE  43           HA       PHE  43   0.313  15.532   4.915
  270    HB2  PHE  43           2HB      PHE  43   1.398  16.153   7.110
  271    HB3  PHE  43           1HB      PHE  43   1.605  14.459   6.675
  272    HD1  PHE  43           HD1      PHE  43   3.309  17.793   6.555
  273    HD2  PHE  43           HD2      PHE  43   3.783  13.523   6.466
  274    HE1  PHE  43           HE1      PHE  43   5.768  18.062   6.681
  275    HE2  PHE  43           HE2      PHE  43   6.245  13.798   6.594
  276    HZ   PHE  43           HZ       PHE  43   7.230  16.065   6.699
  277    H    PHE  44           H        PHE  44   2.205  16.850   2.793
  278    HA   PHE  44           HA       PHE  44   2.095  19.621   3.922
  279    HB2  PHE  44           2HB      PHE  44   4.218  18.170   2.935
  280    HB3  PHE  44           1HB      PHE  44   3.726  19.091   1.517
  281    HD1  PHE  44           HD1      PHE  44   2.641  21.555   2.931
  282    HD2  PHE  44           HD2      PHE  44   6.246  19.287   3.515
  283    HE1  PHE  44           HE1      PHE  44   3.750  23.565   3.862
  284    HE2  PHE  44           HE2      PHE  44   7.354  21.302   4.445
  285    HZ   PHE  44           HZ       PHE  44   6.110  23.437   4.615
  286    H    LYS  45           H        LYS  45   2.605  20.504   1.008
  287    HA   LYS  45           HA       LYS  45  -0.215  20.176   0.036
  288    HB2  LYS  45           2HB      LYS  45   0.936  22.439   0.915
  289    HB3  LYS  45           1HB      LYS  45   1.528  22.481  -0.745
  290    HG2  LYS  45           2HG      LYS  45  -0.515  22.969  -1.590
  291    HG3  LYS  45           1HG      LYS  45  -1.330  21.805  -0.545
  292    HD2  LYS  45           2HD      LYS  45  -0.218  24.280   0.718
  293    HD3  LYS  45           1HD      LYS  45  -1.692  24.435  -0.240
  294    HE2  LYS  45           2HE      LYS  45  -2.789  22.694   1.117
  295    HE3  LYS  45           1HE      LYS  45  -1.306  22.485   2.069
  296    HZ1  LYS  45           3HZ      LYS  45  -2.886  24.048   3.110
  297    HZ2  LYS  45           1HZ      LYS  45  -2.761  25.062   1.755
  298    HZ3  LYS  45           2HZ      LYS  45  -1.405  24.784   2.734
  299    H    ILE  46           H        ILE  46   0.428  21.510  -2.484
  300    HA   ILE  46           HA       ILE  46   2.125  19.413  -3.801
  301    HB   ILE  46           HB       ILE  46  -0.405  20.834  -4.704
  302   HG12  ILE  46          2HG1      ILE  46   0.063  17.881  -4.176
  303   HG13  ILE  46          1HG1      ILE  46  -0.613  18.980  -2.973
  304   HG21  ILE  46          1HG2      ILE  46   0.422  18.526  -6.275
  305   HG22  ILE  46          2HG2      ILE  46   1.646  19.794  -6.294
  306   HG23  ILE  46          3HG2      ILE  46   0.000  20.151  -6.817
  307   HD11  ILE  46          3HD1      ILE  46  -1.780  18.545  -5.740
  308   HD12  ILE  46          1HD1      ILE  46  -2.491  19.505  -4.442
  309   HD13  ILE  46          2HD1      ILE  46  -2.365  17.753  -4.280
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1 -11.694   3.788 -11.581
    2    H2   GLY   1           2H       GLY   1 -11.682   2.436 -12.607
    3    H3   GLY   1           3H       GLY   1 -11.360   2.251 -10.950
    4    HA2  GLY   1           2HA      GLY   1 -13.927   3.419 -11.772
    5    HA3  GLY   1           1HA      GLY   1 -13.705   1.674 -11.893
    6    HA   HYP   2           HA       HYP   2 -14.871   2.798  -7.528
    7    HB2  HYP   2           1HB      HYP   2 -17.013   1.108  -7.346
    8    HB3  HYP   2           2HB      HYP   2 -17.145   2.772  -7.944
    9    HG   HYP   2           HG       HYP   2 -16.965   0.225  -9.470
   10   HD22  HYP   2          1HD       HYP   2 -16.323   2.794 -10.834
   11   HD23  HYP   2          2HD       HYP   2 -15.750   1.146 -11.171
   12    HD1  HYP   2           HOD      HYP   2 -18.637   1.214 -10.621
   13    H    SER   3           H        SER   3 -12.738   1.535  -7.439
   14    HA   SER   3           HA       SER   3 -13.059  -1.387  -6.973
   15    HB2  SER   3           2HB      SER   3 -10.458  -1.079  -6.851
   16    HB3  SER   3           1HB      SER   3 -11.266  -0.920  -8.410
   17    HG   SER   3           HG       SER   3 -10.631   1.227  -6.643
   18    H    PHE   4           H        PHE   4 -12.960  -2.223  -4.908
   19    HA   PHE   4           HA       PHE   4 -12.868  -0.394  -2.624
   20    HB2  PHE   4           2HB      PHE   4 -13.711  -2.224  -1.463
   21    HB3  PHE   4           1HB      PHE   4 -14.152  -2.695  -3.101
   22    HD1  PHE   4           HD1      PHE   4 -12.257  -4.035  -4.419
   23    HD2  PHE   4           HD2      PHE   4 -12.540  -3.733  -0.143
   24    HE1  PHE   4           HE1      PHE   4 -10.886  -6.082  -4.186
   25    HE2  PHE   4           HE2      PHE   4 -11.166  -5.784   0.089
   26    HZ   PHE   4           HZ       PHE   4 -10.339  -6.960  -1.930
   27    H    CYS   5           H        CYS   5 -11.352  -1.304  -0.675
   28    HA   CYS   5           HA       CYS   5  -8.636  -1.846  -1.819
   29    HB2  CYS   5           2HB      CYS   5  -7.734  -0.077  -0.571
   30    HB3  CYS   5           1HB      CYS   5  -9.263   0.581  -1.145
   31    H    LYS   6           H        LYS   6  -7.134  -2.786  -0.273
   32    HA   LYS   6           HA       LYS   6  -8.410  -4.768   1.489
   33    HB2  LYS   6           2HB      LYS   6  -6.349  -4.839  -0.227
   34    HB3  LYS   6           1HB      LYS   6  -5.447  -4.376   1.211
   35    HG2  LYS   6           2HG      LYS   6  -5.434  -6.783   1.052
   36    HG3  LYS   6           1HG      LYS   6  -6.470  -6.326   2.405
   37    HD2  LYS   6           2HD      LYS   6  -8.036  -7.654   1.428
   38    HD3  LYS   6           1HD      LYS   6  -8.233  -6.324   0.286
   39    HE2  LYS   6           2HE      LYS   6  -7.472  -7.644  -1.391
   40    HE3  LYS   6           1HE      LYS   6  -5.941  -7.866  -0.519
   41    HZ1  LYS   6           3HZ      LYS   6  -6.979  -9.587   0.823
   42    HZ2  LYS   6           1HZ      LYS   6  -7.101  -9.975  -0.821
   43    HZ3  LYS   6           2HZ      LYS   6  -8.454  -9.375   0.007
   44    H    ALA   7           H        ALA   7  -7.160  -5.125   3.683
   45    HA   ALA   7           HA       ALA   7  -7.005  -2.491   5.100
   46    HB1  ALA   7           3HB      ALA   7  -8.094  -3.558   6.812
   47    HB2  ALA   7           1HB      ALA   7  -7.158  -5.046   6.601
   48    HB3  ALA   7           2HB      ALA   7  -8.534  -4.708   5.553
   49    H    ASP   8           H        ASP   8  -5.614  -2.941   7.247
   50    HA   ASP   8           HA       ASP   8  -2.862  -3.111   6.398
   51    HB2  ASP   8           2HB      ASP   8  -4.227  -3.025   9.105
   52    HB3  ASP   8           1HB      ASP   8  -2.482  -2.902   8.886
   53    H    GLU   9           H        GLU   9  -1.392  -4.540   8.021
   54    HA   GLU   9           HA       GLU   9  -0.627  -6.676   8.682
   55    HB2  GLU   9           2HB      GLU   9  -3.492  -7.602   8.406
   56    HB3  GLU   9           1HB      GLU   9  -2.248  -8.233   9.478
   57    HG2  GLU   9           2HG      GLU   9  -2.754  -5.389   9.912
   58    HG3  GLU   9           1HG      GLU   9  -4.192  -6.377  10.151
   59    H    LYS  10           H        LYS  10  -3.282  -7.167   6.351
   60    HA   LYS  10           HA       LYS  10  -1.888  -9.303   4.940
   61    HB2  LYS  10           2HB      LYS  10  -3.878  -9.067   3.414
   62    HB3  LYS  10           1HB      LYS  10  -4.322  -9.189   5.114
   63    HG2  LYS  10           2HG      LYS  10  -3.906  -6.430   4.475
   64    HG3  LYS  10           1HG      LYS  10  -5.003  -7.127   3.284
   65    HD2  LYS  10           2HD      LYS  10  -5.341  -7.491   6.277
   66    HD3  LYS  10           1HD      LYS  10  -6.135  -6.210   5.362
   67    HE2  LYS  10           2HE      LYS  10  -7.717  -7.643   4.564
   68    HE3  LYS  10           1HE      LYS  10  -6.489  -8.843   4.116
   69    HZ1  LYS  10           3HZ      LYS  10  -7.424  -8.332   6.891
   70    HZ2  LYS  10           1HZ      LYS  10  -6.317  -9.523   6.409
   71    HZ3  LYS  10           2HZ      LYS  10  -7.944  -9.623   5.925
   72    HA   HYP  11           HA       HYP  11   0.343  -6.127   2.600
   73    HB2  HYP  11           1HB      HYP  11   2.514  -7.645   2.015
   74    HB3  HYP  11           2HB      HYP  11   2.277  -6.880   3.595
   75    HG   HYP  11           HG       HYP  11   2.382  -8.950   4.425
   76   HD22  HYP  11          1HD       HYP  11   0.244  -9.157   5.033
   77   HD23  HYP  11          2HD       HYP  11  -0.092 -10.023   3.525
   78    HD1  HYP  11           HOD      HYP  11   2.927  -9.679   2.128
   79    H    CYS  12           H        CYS  12   1.630  -6.418   0.339
   80    HA   CYS  12           HA       CYS  12   0.754  -8.551  -1.426
   81    HB2  CYS  12           2HB      CYS  12  -1.100  -7.627  -2.440
   82    HB3  CYS  12           1HB      CYS  12  -1.278  -6.923  -0.839
   83    H    GLU  13           H        GLU  13   0.938  -7.433  -3.894
   84    HA   GLU  13           HA       GLU  13   3.704  -6.328  -3.900
   85    HB2  GLU  13           2HB      GLU  13   3.466  -6.941  -6.397
   86    HB3  GLU  13           1HB      GLU  13   3.489  -8.273  -5.250
   87    HG2  GLU  13           2HG      GLU  13   0.792  -7.185  -5.853
   88    HG3  GLU  13           1HG      GLU  13   1.602  -7.981  -7.198
   89    H    TYR  14           H        TYR  14   0.434  -5.569  -5.091
   90    HA   TYR  14           HA       TYR  14   1.403  -2.981  -6.188
   91    HB2  TYR  14           2HB      TYR  14  -1.020  -4.722  -6.421
   92    HB3  TYR  14           1HB      TYR  14  -1.227  -2.993  -6.700
   93    HD1  TYR  14           HD2      TYR  14   0.681  -6.002  -7.771
   94    HD2  TYR  14           HD1      TYR  14  -0.402  -1.945  -8.684
   95    HE1  TYR  14           HE2      TYR  14   1.668  -6.244 -10.028
   96    HE2  TYR  14           HE1      TYR  14   0.588  -2.192 -10.940
   97    HH   TYR  14           HH       TYR  14   1.068  -4.690 -12.486
   98    H    HIS  15           H        HIS  15   1.750  -1.651  -4.419
   99    HA   HIS  15           HA       HIS  15   0.640  -1.475  -1.933
  100    HB2  HIS  15           2HB      HIS  15   1.261   0.740  -3.898
  101    HB3  HIS  15           1HB      HIS  15   0.959   1.034  -2.187
  102    HD1  HIS  15           HD1      HIS  15   3.737   1.547  -3.621
  103    HD2  HIS  15           HD2      HIS  15   2.786  -1.841  -1.379
  104    HE1  HIS  15           HE1      HIS  15   5.934   0.570  -2.821
  105    H    ALA  16           H        ALA  16  -0.959  -0.259  -4.876
  106    HA   ALA  16           HA       ALA  16  -3.132   1.110  -3.724
  107    HB1  ALA  16           3HB      ALA  16  -2.969  -0.582  -6.234
  108    HB2  ALA  16           1HB      ALA  16  -2.544   1.125  -6.100
  109    HB3  ALA  16           2HB      ALA  16  -4.222   0.615  -5.908
  110    H    ASP  17           H        ASP  17  -2.630  -2.384  -3.933
  111    HA   ASP  17           HA       ASP  17  -5.255  -3.381  -3.731
  112    HB2  ASP  17           2HB      ASP  17  -3.141  -4.701  -3.854
  113    HB3  ASP  17           1HB      ASP  17  -2.786  -4.244  -2.189
  114    H    CYS  18           H        CYS  18  -3.189  -2.056  -1.151
  115    HA   CYS  18           HA       CYS  18  -5.418  -2.247   0.817
  116    HB2  CYS  18           2HB      CYS  18  -2.456  -1.805   0.831
  117    HB3  CYS  18           1HB      CYS  18  -3.381  -1.121   2.166
  118    H    CYS  19           H        CYS  19  -6.224  -0.303   1.870
  119    HA   CYS  19           HA       CYS  19  -6.600   1.998   0.233
  120    HB2  CYS  19           2HB      CYS  19  -7.124   1.134   2.991
  121    HB3  CYS  19           1HB      CYS  19  -6.959   2.882   2.818
  122    H    ASN  20           H        ASN  20  -3.747   1.097   1.888
  123    HA   ASN  20           HA       ASN  20  -2.708   3.892   1.657
  124    HB2  ASN  20           2HB      ASN  20  -2.123   1.893   3.878
  125    HB3  ASN  20           1HB      ASN  20  -1.544   3.554   3.785
  126   HD21  ASN  20          1HD2      ASN  20  -4.515   1.599   4.147
  127   HD22  ASN  20          2HD2      ASN  20  -5.424   2.829   4.871
  128    H    CYS  21           H        CYS  21  -1.185   0.831   2.714
  129    HA   CYS  21           HA       CYS  21   0.320   0.584   0.172
  130    HB2  CYS  21           2HB      CYS  21   1.386   1.708   2.728
  131    HB3  CYS  21           1HB      CYS  21   2.444   0.624   1.827
  132    H    CYS  22           H        CYS  22   1.101  -1.550  -0.099
  133    HA   CYS  22           HA       CYS  22   0.686  -3.407   2.225
  134    HB2  CYS  22           2HB      CYS  22  -0.140  -5.031   0.667
  135    HB3  CYS  22           1HB      CYS  22  -0.900  -3.517   0.197
  136    H    LEU  23           H        LEU  23   2.954  -3.084   2.848
  137    HA   LEU  23           HA       LEU  23   5.093  -3.630   0.938
  138    HB2  LEU  23           2HB      LEU  23   4.856  -3.238   3.928
  139    HB3  LEU  23           1HB      LEU  23   6.398  -3.691   3.198
  140    HG   LEU  23           HG       LEU  23   5.774  -1.670   1.546
  141   HD11  LEU  23          1HD1      LEU  23   4.811   0.163   3.078
  142   HD12  LEU  23          2HD1      LEU  23   4.258  -1.156   4.109
  143   HD13  LEU  23          3HD1      LEU  23   3.675  -1.030   2.449
  144   HD21  LEU  23          3HD2      LEU  23   7.797  -1.903   3.001
  145   HD22  LEU  23          1HD2      LEU  23   6.871  -1.233   4.341
  146   HD23  LEU  23          2HD2      LEU  23   7.201  -0.245   2.917
  147    H    SER  24           H        SER  24   6.353  -5.528   0.804
  148    HA   SER  24           HA       SER  24   5.231  -8.022   0.826
  149    HB2  SER  24           2HB      SER  24   8.039  -7.770   1.825
  150    HB3  SER  24           1HB      SER  24   7.407  -8.780   0.526
  151    HG   SER  24           HG       SER  24   8.378  -7.216  -0.580
  152    H    GLY  25           H        GLY  25   6.724  -6.491   3.647
  153    HA2  GLY  25           2HA      GLY  25   6.470  -8.756   5.391
  154    HA3  GLY  25           1HA      GLY  25   6.684  -7.088   5.916
  155    H    ILE  26           H        ILE  26   4.419  -5.818   5.051
  156    HA   ILE  26           HA       ILE  26   1.969  -7.306   5.541
  157    HB   ILE  26           HB       ILE  26   3.604  -6.318   7.758
  158   HG12  ILE  26          2HG1      ILE  26   0.967  -7.677   8.114
  159   HG13  ILE  26          1HG1      ILE  26   2.264  -8.559   7.309
  160   HG21  ILE  26          1HG2      ILE  26   2.155  -4.345   7.680
  161   HG22  ILE  26          2HG2      ILE  26   1.784  -5.325   9.098
  162   HG23  ILE  26          3HG2      ILE  26   0.727  -5.377   7.685
  163   HD11  ILE  26          3HD1      ILE  26   3.633  -8.523   9.200
  164   HD12  ILE  26          1HD1      ILE  26   2.031  -8.689   9.920
  165   HD13  ILE  26          2HD1      ILE  26   2.819  -7.113   9.882
  166    H    CYS  27           H        CYS  27   0.052  -5.778   5.602
  167    HA   CYS  27           HA       CYS  27   0.552  -3.378   3.954
  168    HB2  CYS  27           2HB      CYS  27  -1.681  -5.099   4.693
  169    HB3  CYS  27           1HB      CYS  27  -2.115  -3.394   4.824
  170    H    ALA  28           H        ALA  28   0.517  -1.251   4.707
  171    HA   ALA  28           HA       ALA  28  -0.144  -0.831   7.599
  172    HB1  ALA  28           3HB      ALA  28   2.348  -0.374   6.032
  173    HB2  ALA  28           1HB      ALA  28   2.159  -0.783   7.739
  174    HB3  ALA  28           2HB      ALA  28   1.916   0.878   7.198
  175    HA   HYP  29           HA       HYP  29  -2.374   2.690   6.181
  176    HB2  HYP  29           1HB      HYP  29  -2.026   4.441   8.255
  177    HB3  HYP  29           2HB      HYP  29  -3.064   3.007   8.363
  178    HG   HYP  29           HG       HYP  29  -0.266   3.386   9.322
  179   HD22  HYP  29          1HD       HYP  29  -1.343   0.644   8.949
  180   HD23  HYP  29          2HD       HYP  29   0.334   1.226   8.882
  181    HD1  HYP  29           HOD      HYP  29  -1.985   3.390  10.876
  182    H    SER  30           H        SER  30  -2.094   4.975   5.481
  183    HA   SER  30           HA       SER  30   0.564   5.438   4.386
  184    HB2  SER  30           2HB      SER  30  -2.012   7.029   4.420
  185    HB3  SER  30           1HB      SER  30  -0.581   7.491   3.497
  186    HG   SER  30           HG       SER  30  -1.330   6.176   2.045
  187    H    THR  31           H        THR  31  -0.551   6.014   7.499
  188    HA   THR  31           HA       THR  31   0.581   8.692   7.873
  189    HB   THR  31           HB       THR  31  -1.352   7.532   9.114
  190    HG1  THR  31           HG1      THR  31  -0.895   8.700  10.930
  191   HG21  THR  31          3HG2      THR  31  -0.921   5.960  10.785
  192   HG22  THR  31          1HG2      THR  31   0.779   6.413  10.912
  193   HG23  THR  31          2HG2      THR  31   0.221   5.470   9.531
  194    H    ASN  32           H        ASN  32   2.580   7.264   6.661
  195    HA   ASN  32           HA       ASN  32   4.365   6.181   8.764
  196    HB2  ASN  32           2HB      ASN  32   4.068   6.049   5.811
  197    HB3  ASN  32           1HB      ASN  32   5.724   5.985   6.419
  198   HD21  ASN  32          1HD2      ASN  32   2.653   4.230   6.344
  199   HD22  ASN  32          2HD2      ASN  32   3.247   2.812   7.073
  200    H    TRP  33           H        TRP  33   6.774   6.906   8.376
  201    HA   TRP  33           HA       TRP  33   6.921   9.803   7.736
  202    HB2  TRP  33           2HB      TRP  33   8.320   9.938   9.963
  203    HB3  TRP  33           1HB      TRP  33   6.565   9.994  10.032
  204    HD1  TRP  33           HD1      TRP  33   5.517   7.239  10.186
  205    HE1  TRP  33           HE1      TRP  33   6.262   5.481  11.920
  206    HE3  TRP  33           HE3      TRP  33  10.007   9.236  11.600
  207    HZ2  TRP  33           HZ2      TRP  33   8.449   5.010  13.694
  208    HZ3  TRP  33           HZ3      TRP  33  11.386   8.111  13.328
  209    HH2  TRP  33           HH2      TRP  33  10.617   6.009  14.373
  210    H    ILE  34           H        ILE  34   9.084   7.293   9.154
  211    HA   ILE  34           HA       ILE  34  11.192   8.130   7.211
  212    HB   ILE  34           HB       ILE  34  12.635   6.726   8.702
  213   HG12  ILE  34          2HG1      ILE  34  10.348   6.522  10.639
  214   HG13  ILE  34          1HG1      ILE  34  10.493   5.311   9.366
  215   HG21  ILE  34          1HG2      ILE  34  10.970   8.988   9.742
  216   HG22  ILE  34          2HG2      ILE  34  12.697   8.936   9.393
  217   HG23  ILE  34          3HG2      ILE  34  12.069   8.165  10.850
  218   HD11  ILE  34          3HD1      ILE  34  11.690   4.885  11.644
  219   HD12  ILE  34          1HD1      ILE  34  12.884   6.034  11.042
  220   HD13  ILE  34          2HD1      ILE  34  12.563   4.546  10.151
  221    H    LEU  35           H        LEU  35   8.703   6.370   6.662
  222    HA   LEU  35           HA       LEU  35  10.152   3.960   5.610
  223    HB2  LEU  35           2HB      LEU  35   7.651   4.426   7.108
  224    HB3  LEU  35           1HB      LEU  35   7.480   3.321   5.744
  225    HG   LEU  35           HG       LEU  35   9.569   2.128   6.649
  226   HD11  LEU  35          1HD1      LEU  35  10.447   3.731   8.175
  227   HD12  LEU  35          2HD1      LEU  35   9.765   2.459   9.187
  228   HD13  LEU  35          3HD1      LEU  35   8.877   3.965   8.951
  229   HD21  LEU  35          3HD2      LEU  35   7.192   1.316   6.877
  230   HD22  LEU  35          1HD2      LEU  35   7.122   2.130   8.442
  231   HD23  LEU  35          2HD2      LEU  35   8.251   0.798   8.188
  232    HA   PRO  36           HA       PRO  36   8.233   6.425   2.112
  233    HB2  PRO  36           2HB      PRO  36  10.540   7.016   0.770
  234    HB3  PRO  36           1HB      PRO  36   9.877   8.057   2.045
  235    HG2  PRO  36           2HG      PRO  36  12.140   6.137   2.160
  236    HG3  PRO  36           1HG      PRO  36  11.924   7.686   2.987
  237    HD2  PRO  36           2HD      PRO  36  11.550   5.210   4.152
  238    HD3  PRO  36           1HD      PRO  36  10.849   6.730   4.745
  239    H    GLY  37           H        GLY  37   7.955   3.768   2.148
  240    HA2  GLY  37           2HA      GLY  37   9.543   2.654  -0.128
  241    HA3  GLY  37           1HA      GLY  37   8.706   1.683   1.079
  242    H    CYS  38           H        CYS  38   7.154   4.493  -0.372
  243    HA   CYS  38           HA       CYS  38   5.486   2.667  -2.078
  244    HB2  CYS  38           2HB      CYS  38   4.691   4.675   0.032
  245    HB3  CYS  38           1HB      CYS  38   3.580   4.250  -1.267
  246    H    SER  39           H        SER  39   7.672   4.442  -2.889
  247    HA   SER  39           HA       SER  39   6.143   6.544  -4.389
  248    HB2  SER  39           2HB      SER  39   9.091   6.750  -3.986
  249    HB3  SER  39           1HB      SER  39   7.868   8.014  -3.962
  250    HG   SER  39           HG       SER  39   8.993   6.758  -1.907
  251    H    THR  40           H        THR  40   5.839   5.589  -6.405
  252    HA   THR  40           HA       THR  40   8.294   4.572  -7.805
  253    HB   THR  40           HB       THR  40   6.541   3.045  -8.976
  254    HG1  THR  40           HG1      THR  40   4.591   3.500  -8.366
  255   HG21  THR  40          3HG2      THR  40   6.416   1.684  -6.642
  256   HG22  THR  40          1HG2      THR  40   7.666   2.856  -6.227
  257   HG23  THR  40          2HG2      THR  40   7.883   1.786  -7.613
  258    H    SER  41           H        SER  41   4.944   5.751  -8.384
  259    HA   SER  41           HA       SER  41   5.581   6.670 -11.086
  260    HB2  SER  41           2HB      SER  41   3.193   7.288  -9.310
  261    HB3  SER  41           1HB      SER  41   3.250   7.347 -11.070
  262    HG   SER  41           HG       SER  41   2.376   5.389 -10.555
  263    H    SER  42           H        SER  42   7.228   8.269 -10.895
  264    HA   SER  42           HA       SER  42   6.358  10.824  -9.586
  265    HB2  SER  42           2HB      SER  42   8.299   9.180  -8.614
  266    HB3  SER  42           1HB      SER  42   9.256  10.177  -9.704
  267    HG   SER  42           HG       SER  42   9.104  11.119  -7.630
  268    H    PHE  43           H        PHE  43   8.889   9.534 -11.800
  269    HA   PHE  43           HA       PHE  43   8.300  11.829 -13.652
  270    HB2  PHE  43           2HB      PHE  43  10.846  11.623 -14.130
  271    HB3  PHE  43           1HB      PHE  43  10.367  12.366 -12.609
  272    HD1  PHE  43           HD1      PHE  43  11.296   9.053 -14.092
  273    HD2  PHE  43           HD2      PHE  43  11.182  11.529 -10.578
  274    HE1  PHE  43           HE1      PHE  43  12.581   7.329 -12.848
  275    HE2  PHE  43           HE2      PHE  43  12.469   9.812  -9.318
  276    HZ   PHE  43           HZ       PHE  43  13.177   7.702 -10.452
  277    H    PHE  44           H        PHE  44   7.322   9.002 -13.694
  278    HA   PHE  44           HA       PHE  44   8.780   7.766 -15.953
  279    HB2  PHE  44           2HB      PHE  44   7.314   6.863 -13.750
  280    HB3  PHE  44           1HB      PHE  44   6.237   6.580 -15.116
  281    HD1  PHE  44           HD1      PHE  44   7.308   5.454 -17.225
  282    HD2  PHE  44           HD2      PHE  44   9.027   5.340 -13.290
  283    HE1  PHE  44           HE1      PHE  44   8.644   3.466 -17.865
  284    HE2  PHE  44           HE2      PHE  44  10.363   3.351 -13.930
  285    HZ   PHE  44           HZ       PHE  44  10.167   2.412 -16.217
  286    H    LYS  45           H        LYS  45   8.095   8.014 -18.065
  287    HA   LYS  45           HA       LYS  45   5.435   9.331 -18.519
  288    HB2  LYS  45           2HB      LYS  45   7.931  10.240 -19.116
  289    HB3  LYS  45           1HB      LYS  45   7.544   9.387 -20.611
  290    HG2  LYS  45           2HG      LYS  45   6.770  11.661 -20.872
  291    HG3  LYS  45           1HG      LYS  45   5.341  10.647 -20.648
  292    HD2  LYS  45           2HD      LYS  45   4.843  12.268 -19.086
  293    HD3  LYS  45           1HD      LYS  45   5.835  11.225 -18.066
  294    HE2  LYS  45           2HE      LYS  45   7.817  12.609 -18.516
  295    HE3  LYS  45           1HE      LYS  45   6.869  13.644 -19.603
  296    HZ1  LYS  45           3HZ      LYS  45   6.502  13.254 -16.678
  297    HZ2  LYS  45           1HZ      LYS  45   5.297  13.935 -17.658
  298    HZ3  LYS  45           2HZ      LYS  45   6.802  14.701 -17.508
  299    H    ILE  46           H        ILE  46   5.544   8.863 -21.375
  300    HA   ILE  46           HA       ILE  46   5.093   5.905 -21.490
  301    HB   ILE  46           HB       ILE  46   3.652   8.224 -22.824
  302   HG12  ILE  46          2HG1      ILE  46   3.204   7.967 -20.385
  303   HG13  ILE  46          1HG1      ILE  46   1.779   7.643 -21.369
  304   HG21  ILE  46          1HG2      ILE  46   2.000   6.130 -23.176
  305   HG22  ILE  46          2HG2      ILE  46   3.542   5.279 -23.195
  306   HG23  ILE  46          3HG2      ILE  46   3.233   6.565 -24.361
  307   HD11  ILE  46          3HD1      ILE  46   3.332   5.814 -19.653
  308   HD12  ILE  46          1HD1      ILE  46   2.910   5.150 -21.230
  309   HD13  ILE  46          2HD1      ILE  46   1.642   5.728 -20.149
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1 -18.890  -6.801  -8.830
    2    H2   GLY   1           2H       GLY   1 -20.480  -6.704  -9.409
    3    H3   GLY   1           3H       GLY   1 -19.923  -8.136  -8.693
    4    HA2  GLY   1           2HA      GLY   1 -21.379  -6.373  -7.381
    5    HA3  GLY   1           1HA      GLY   1 -20.165  -7.383  -6.595
    6    HA   HYP   2           HA       HYP   2 -19.114  -2.897  -5.917
    7    HB2  HYP   2           1HB      HYP   2 -18.946  -3.044  -3.194
    8    HB3  HYP   2           2HB      HYP   2 -20.461  -2.694  -4.050
    9    HG   HYP   2           HG       HYP   2 -19.478  -5.251  -2.900
   10   HD22  HYP   2          1HD       HYP   2 -21.619  -5.332  -4.962
   11   HD23  HYP   2          2HD       HYP   2 -20.385  -6.543  -4.559
   12    HD1  HYP   2           HOD      HYP   2 -21.152  -3.982  -1.854
   13    H    SER   3           H        SER   3 -17.025  -2.119  -4.879
   14    HA   SER   3           HA       SER   3 -15.060  -4.336  -4.449
   15    HB2  SER   3           2HB      SER   3 -15.267  -3.036  -6.800
   16    HB3  SER   3           1HB      SER   3 -14.221  -1.898  -5.949
   17    HG   SER   3           HG       SER   3 -13.203  -3.723  -7.145
   18    H    PHE   4           H        PHE   4 -12.920  -3.349  -3.569
   19    HA   PHE   4           HA       PHE   4 -13.075  -0.791  -2.165
   20    HB2  PHE   4           2HB      PHE   4 -14.468  -2.770  -0.971
   21    HB3  PHE   4           1HB      PHE   4 -12.870  -3.125  -0.316
   22    HD1  PHE   4           HD2      PHE   4 -15.300  -0.313  -0.802
   23    HD2  PHE   4           HD1      PHE   4 -12.023  -1.877   1.503
   24    HE1  PHE   4           HE2      PHE   4 -15.549   1.547   0.823
   25    HE2  PHE   4           HE1      PHE   4 -12.277  -0.015   3.124
   26    HZ   PHE   4           HZ       PHE   4 -14.041   1.694   2.786
   27    H    CYS   5           H        CYS   5 -11.082  -0.756  -0.522
   28    HA   CYS   5           HA       CYS   5  -8.773  -1.946  -1.981
   29    HB2  CYS   5           2HB      CYS   5  -7.541  -0.306  -0.389
   30    HB3  CYS   5           1HB      CYS   5  -8.531   0.387  -1.669
   31    H    LYS   6           H        LYS   6  -6.994  -2.903  -0.664
   32    HA   LYS   6           HA       LYS   6  -7.984  -4.861   1.228
   33    HB2  LYS   6           2HB      LYS   6  -5.944  -4.739  -0.508
   34    HB3  LYS   6           1HB      LYS   6  -5.075  -4.195   0.926
   35    HG2  LYS   6           2HG      LYS   6  -4.922  -6.314   1.646
   36    HG3  LYS   6           1HG      LYS   6  -6.682  -6.440   1.678
   37    HD2  LYS   6           2HD      LYS   6  -5.979  -6.600  -1.044
   38    HD3  LYS   6           1HD      LYS   6  -4.793  -7.594  -0.199
   39    HE2  LYS   6           2HE      LYS   6  -6.689  -8.758   0.980
   40    HE3  LYS   6           1HE      LYS   6  -7.815  -7.853  -0.052
   41    HZ1  LYS   6           3HZ      LYS   6  -5.658  -9.695  -0.938
   42    HZ2  LYS   6           1HZ      LYS   6  -6.511  -8.675  -1.989
   43    HZ3  LYS   6           2HZ      LYS   6  -7.330  -9.900  -1.149
   44    H    ALA   7           H        ALA   7  -7.166  -5.067   3.445
   45    HA   ALA   7           HA       ALA   7  -7.030  -2.432   4.836
   46    HB1  ALA   7           3HB      ALA   7  -7.916  -5.213   5.443
   47    HB2  ALA   7           1HB      ALA   7  -8.682  -3.675   5.842
   48    HB3  ALA   7           2HB      ALA   7  -7.316  -4.254   6.795
   49    H    ASP   8           H        ASP   8  -5.698  -2.600   6.972
   50    HA   ASP   8           HA       ASP   8  -2.903  -2.835   6.331
   51    HB2  ASP   8           2HB      ASP   8  -4.106  -2.861   9.112
   52    HB3  ASP   8           1HB      ASP   8  -2.588  -2.135   8.593
   53    H    GLU   9           H        GLU   9  -1.442  -4.177   7.899
   54    HA   GLU   9           HA       GLU   9  -0.694  -6.257   8.710
   55    HB2  GLU   9           2HB      GLU   9  -3.220  -6.000   9.665
   56    HB3  GLU   9           1HB      GLU   9  -3.441  -7.425   8.649
   57    HG2  GLU   9           2HG      GLU   9  -2.695  -8.538  10.502
   58    HG3  GLU   9           1HG      GLU   9  -1.106  -8.068   9.897
   59    H    LYS  10           H        LYS  10  -3.394  -6.819   6.435
   60    HA   LYS  10           HA       LYS  10  -1.977  -9.054   5.149
   61    HB2  LYS  10           2HB      LYS  10  -4.039  -8.770   3.529
   62    HB3  LYS  10           1HB      LYS  10  -4.300  -9.379   5.158
   63    HG2  LYS  10           2HG      LYS  10  -4.405  -6.436   4.905
   64    HG3  LYS  10           1HG      LYS  10  -5.674  -7.298   4.042
   65    HD2  LYS  10           2HD      LYS  10  -5.019  -7.956   6.916
   66    HD3  LYS  10           1HD      LYS  10  -6.125  -6.645   6.500
   67    HE2  LYS  10           2HE      LYS  10  -7.558  -8.211   5.247
   68    HE3  LYS  10           1HE      LYS  10  -6.447  -9.544   5.619
   69    HZ1  LYS  10           3HZ      LYS  10  -8.507  -8.636   7.221
   70    HZ2  LYS  10           1HZ      LYS  10  -7.100  -8.048   7.962
   71    HZ3  LYS  10           2HZ      LYS  10  -7.274  -9.712   7.671
   72    HA   HYP  11           HA       HYP  11   0.089  -5.958   2.657
   73    HB2  HYP  11           1HB      HYP  11   2.081  -7.601   1.766
   74    HB3  HYP  11           2HB      HYP  11   2.081  -6.843   3.365
   75    HG   HYP  11           HG       HYP  11   2.221  -8.949   4.088
   76   HD22  HYP  11          1HD       HYP  11   0.260  -8.736   5.134
   77   HD23  HYP  11          2HD       HYP  11  -0.409  -9.809   3.891
   78    HD1  HYP  11           HOD      HYP  11   2.344  -9.775   1.862
   79    H    CYS  12           H        CYS  12   1.185  -6.339   0.280
   80    HA   CYS  12           HA       CYS  12  -0.505  -8.106  -1.406
   81    HB2  CYS  12           2HB      CYS  12  -1.634  -6.369  -2.492
   82    HB3  CYS  12           1HB      CYS  12  -1.546  -5.735  -0.852
   83    H    GLU  13           H        GLU  13   0.175  -7.277  -3.900
   84    HA   GLU  13           HA       GLU  13   3.089  -7.756  -4.018
   85    HB2  GLU  13           2HB      GLU  13   1.000  -7.402  -6.196
   86    HB3  GLU  13           1HB      GLU  13   2.615  -8.074  -6.407
   87    HG2  GLU  13           2HG      GLU  13   0.875  -9.346  -4.341
   88    HG3  GLU  13           1HG      GLU  13   0.468  -9.644  -6.029
   89    H    TYR  14           H        TYR  14   0.783  -5.209  -5.045
   90    HA   TYR  14           HA       TYR  14   3.068  -3.443  -5.785
   91    HB2  TYR  14           2HB      TYR  14   0.081  -2.963  -6.022
   92    HB3  TYR  14           1HB      TYR  14   1.364  -2.122  -6.884
   93    HD1  TYR  14           HD1      TYR  14   3.087  -4.506  -7.627
   94    HD2  TYR  14           HD2      TYR  14  -1.158  -3.885  -7.795
   95    HE1  TYR  14           HE1      TYR  14   2.916  -6.158  -9.486
   96    HE2  TYR  14           HE2      TYR  14  -1.330  -5.535  -9.646
   97    HH   TYR  14           HH       TYR  14   0.235  -7.650 -10.381
   98    H    HIS  15           H        HIS  15   1.233  -1.075  -5.202
   99    HA   HIS  15           HA       HIS  15   1.506  -1.059  -2.222
  100    HB2  HIS  15           2HB      HIS  15   2.854   0.445  -4.240
  101    HB3  HIS  15           1HB      HIS  15   1.803   1.558  -3.373
  102    HD1  HIS  15           HD1      HIS  15   2.297  -0.518  -0.721
  103    HD2  HIS  15           HD2      HIS  15   5.024   1.830  -2.822
  104    HE1  HIS  15           HE1      HIS  15   4.233  -0.096   0.848
  105    H    ALA  16           H        ALA  16  -0.569  -0.451  -4.945
  106    HA   ALA  16           HA       ALA  16  -2.342   1.370  -3.399
  107    HB1  ALA  16           3HB      ALA  16  -1.988   0.497  -6.237
  108    HB2  ALA  16           1HB      ALA  16  -2.118   2.127  -5.575
  109    HB3  ALA  16           2HB      ALA  16  -3.560   1.126  -5.745
  110    H    ASP  17           H        ASP  17  -2.033  -1.971  -3.614
  111    HA   ASP  17           HA       ASP  17  -4.741  -2.842  -4.036
  112    HB2  ASP  17           2HB      ASP  17  -2.932  -4.414  -4.116
  113    HB3  ASP  17           1HB      ASP  17  -2.342  -3.912  -2.537
  114    H    CYS  18           H        CYS  18  -2.954  -1.867  -1.127
  115    HA   CYS  18           HA       CYS  18  -5.260  -2.223   0.674
  116    HB2  CYS  18           2HB      CYS  18  -2.414  -1.363   0.811
  117    HB3  CYS  18           1HB      CYS  18  -3.485  -0.752   2.066
  118    H    CYS  19           H        CYS  19  -6.154  -0.346   1.899
  119    HA   CYS  19           HA       CYS  19  -6.917   1.892   0.254
  120    HB2  CYS  19           2HB      CYS  19  -6.858   1.696   3.286
  121    HB3  CYS  19           1HB      CYS  19  -7.931   2.700   2.310
  122    H    ASN  20           H        ASN  20  -3.927   1.248   1.769
  123    HA   ASN  20           HA       ASN  20  -3.082   4.080   1.432
  124    HB2  ASN  20           2HB      ASN  20  -2.425   2.390   3.873
  125    HB3  ASN  20           1HB      ASN  20  -2.060   4.097   3.629
  126   HD21  ASN  20          1HD2      ASN  20  -4.617   1.831   4.483
  127   HD22  ASN  20          2HD2      ASN  20  -5.786   3.006   4.830
  128    H    CYS  21           H        CYS  21  -1.415   1.211   2.822
  129    HA   CYS  21           HA       CYS  21   0.279   0.998   0.379
  130    HB2  CYS  21           2HB      CYS  21   1.113   1.932   3.124
  131    HB3  CYS  21           1HB      CYS  21   2.276   1.116   2.076
  132    H    CYS  22           H        CYS  22   0.487  -1.191  -0.022
  133    HA   CYS  22           HA       CYS  22   0.426  -3.058   2.327
  134    HB2  CYS  22           2HB      CYS  22  -0.359  -4.698   0.490
  135    HB3  CYS  22           1HB      CYS  22  -1.496  -3.467   1.009
  136    H    LEU  23           H        LEU  23   2.809  -2.915   2.544
  137    HA   LEU  23           HA       LEU  23   4.499  -3.638   0.252
  138    HB2  LEU  23           2HB      LEU  23   4.768  -2.824   3.077
  139    HB3  LEU  23           1HB      LEU  23   6.020  -3.938   2.532
  140    HG   LEU  23           HG       LEU  23   5.266  -1.537   0.867
  141   HD11  LEU  23          1HD1      LEU  23   5.860  -0.774   3.179
  142   HD12  LEU  23          2HD1      LEU  23   7.035  -0.273   1.964
  143   HD13  LEU  23          3HD1      LEU  23   7.395  -1.631   3.029
  144   HD21  LEU  23          3HD2      LEU  23   6.657  -3.382  -0.092
  145   HD22  LEU  23          1HD2      LEU  23   7.840  -3.114   1.188
  146   HD23  LEU  23          2HD2      LEU  23   7.528  -1.851  -0.004
  147    H    SER  24           H        SER  24   5.534  -5.674  -0.055
  148    HA   SER  24           HA       SER  24   4.227  -8.048   0.291
  149    HB2  SER  24           2HB      SER  24   6.320  -7.698  -0.978
  150    HB3  SER  24           1HB      SER  24   7.219  -7.584   0.533
  151    HG   SER  24           HG       SER  24   6.743  -9.722   0.955
  152    H    GLY  25           H        GLY  25   6.383  -6.611   2.725
  153    HA2  GLY  25           2HA      GLY  25   6.337  -8.766   4.574
  154    HA3  GLY  25           1HA      GLY  25   6.644  -7.081   4.999
  155    H    ILE  26           H        ILE  26   4.316  -5.792   4.525
  156    HA   ILE  26           HA       ILE  26   1.925  -7.220   5.379
  157    HB   ILE  26           HB       ILE  26   3.865  -6.254   7.341
  158   HG12  ILE  26          2HG1      ILE  26   1.244  -7.559   7.996
  159   HG13  ILE  26          1HG1      ILE  26   2.460  -8.468   7.100
  160   HG21  ILE  26          1HG2      ILE  26   2.492  -4.234   7.472
  161   HG22  ILE  26          2HG2      ILE  26   2.188  -5.232   8.895
  162   HG23  ILE  26          3HG2      ILE  26   1.023  -5.206   7.573
  163   HD11  ILE  26          3HD1      ILE  26   3.019  -7.042   9.708
  164   HD12  ILE  26          1HD1      ILE  26   4.080  -8.168   8.862
  165   HD13  ILE  26          2HD1      ILE  26   2.588  -8.748   9.603
  166    H    CYS  27           H        CYS  27   0.072  -5.682   5.623
  167    HA   CYS  27           HA       CYS  27   0.441  -3.282   3.942
  168    HB2  CYS  27           2HB      CYS  27  -1.470  -4.780   3.649
  169    HB3  CYS  27           1HB      CYS  27  -1.963  -4.526   5.322
  170    H    ALA  28           H        ALA  28   0.308  -1.157   4.685
  171    HA   ALA  28           HA       ALA  28  -0.061  -0.778   7.644
  172    HB1  ALA  28           3HB      ALA  28   2.187  -0.188   5.819
  173    HB2  ALA  28           1HB      ALA  28   2.192  -0.401   7.572
  174    HB3  ALA  28           2HB      ALA  28   1.743   1.154   6.872
  175    HA   HYP  29           HA       HYP  29  -2.811   2.434   6.382
  176    HB2  HYP  29           1HB      HYP  29  -2.884   3.877   8.706
  177    HB3  HYP  29           2HB      HYP  29  -3.715   2.323   8.499
  178    HG   HYP  29           HG       HYP  29  -1.183   2.973   9.864
  179   HD22  HYP  29          1HD       HYP  29  -1.349   0.181   8.974
  180   HD23  HYP  29          2HD       HYP  29   0.038   1.284   9.038
  181    HD1  HYP  29           HOD      HYP  29  -2.938   0.757  10.285
  182    H    SER  30           H        SER  30  -2.861   4.788   5.999
  183    HA   SER  30           HA       SER  30  -0.295   5.917   5.255
  184    HB2  SER  30           2HB      SER  30  -1.996   7.995   5.103
  185    HB3  SER  30           1HB      SER  30  -2.049   6.679   3.937
  186    HG   SER  30           HG       SER  30  -3.995   6.272   4.618
  187    H    THR  31           H        THR  31  -2.505   6.330   7.999
  188    HA   THR  31           HA       THR  31  -1.004   8.541   9.191
  189    HB   THR  31           HB       THR  31  -3.082   6.636  10.339
  190    HG1  THR  31           HG1      THR  31  -4.377   7.655   9.036
  191   HG21  THR  31          3HG2      THR  31  -2.179   9.406  11.206
  192   HG22  THR  31          1HG2      THR  31  -1.876   7.891  12.070
  193   HG23  THR  31          2HG2      THR  31  -3.517   8.511  11.921
  194    H    ASN  32           H        ASN  32   1.142   7.342   9.080
  195    HA   ASN  32           HA       ASN  32   1.385   5.267  11.226
  196    HB2  ASN  32           2HB      ASN  32   2.041   5.162   8.581
  197    HB3  ASN  32           1HB      ASN  32   3.564   5.696   9.299
  198   HD21  ASN  32          1HD2      ASN  32   1.671   2.937   8.670
  199   HD22  ASN  32          2HD2      ASN  32   2.425   1.868   9.752
  200    H    TRP  33           H        TRP  33   4.048   5.337  11.742
  201    HA   TRP  33           HA       TRP  33   4.729   8.162  12.446
  202    HB2  TRP  33           2HB      TRP  33   5.454   6.971  14.749
  203    HB3  TRP  33           1HB      TRP  33   3.832   7.608  14.503
  204    HD1  TRP  33           HD1      TRP  33   2.033   5.721  13.487
  205    HE1  TRP  33           HE1      TRP  33   1.764   3.254  14.222
  206    HE3  TRP  33           HE3      TRP  33   6.566   4.960  15.698
  207    HZ2  TRP  33           HZ2      TRP  33   3.248   1.248  15.618
  208    HZ3  TRP  33           HZ3      TRP  33   7.098   2.766  16.733
  209    HH2  TRP  33           HH2      TRP  33   5.452   0.923  16.685
  210    H    ILE  34           H        ILE  34   5.971   4.834  12.976
  211    HA   ILE  34           HA       ILE  34   8.587   5.760  11.858
  212    HB   ILE  34           HB       ILE  34   8.062   3.799  14.117
  213   HG12  ILE  34          2HG1      ILE  34   9.130   6.641  14.191
  214   HG13  ILE  34          1HG1      ILE  34   7.498   6.171  14.666
  215   HG21  ILE  34          1HG2      ILE  34  10.353   4.203  12.472
  216   HG22  ILE  34          2HG2      ILE  34  10.250   3.243  13.947
  217   HG23  ILE  34          3HG2      ILE  34  10.718   4.940  14.032
  218   HD11  ILE  34          3HD1      ILE  34   8.591   4.537  16.289
  219   HD12  ILE  34          1HD1      ILE  34   8.759   6.248  16.686
  220   HD13  ILE  34          2HD1      ILE  34  10.107   5.374  15.956
  221    H    LEU  35           H        LEU  35   6.108   3.322  11.737
  222    HA   LEU  35           HA       LEU  35   7.671   1.176  10.636
  223    HB2  LEU  35           2HB      LEU  35   4.759   1.961  10.608
  224    HB3  LEU  35           1HB      LEU  35   5.329   0.519   9.774
  225    HG   LEU  35           HG       LEU  35   6.294   0.836  12.559
  226   HD11  LEU  35          1HD1      LEU  35   3.902   1.621  12.660
  227   HD12  LEU  35          2HD1      LEU  35   4.201   0.141  13.576
  228   HD13  LEU  35          3HD1      LEU  35   3.414   0.062  11.999
  229   HD21  LEU  35          3HD2      LEU  35   5.206  -1.645  12.323
  230   HD22  LEU  35          1HD2      LEU  35   6.848  -1.255  11.828
  231   HD23  LEU  35          2HD2      LEU  35   5.553  -1.290  10.629
  232    HA   PRO  36           HA       PRO  36   8.391   3.003   6.664
  233    HB2  PRO  36           2HB      PRO  36   9.417   0.787   5.444
  234    HB3  PRO  36           1HB      PRO  36  10.340   1.788   6.583
  235    HG2  PRO  36           2HG      PRO  36   8.954  -0.810   7.021
  236    HG3  PRO  36           1HG      PRO  36  10.511  -0.251   7.658
  237    HD2  PRO  36           2HD      PRO  36   8.213  -0.270   9.112
  238    HD3  PRO  36           1HD      PRO  36   9.529   0.892   9.391
  239    H    GLY  37           H        GLY  37   5.935   3.065   6.471
  240    HA2  GLY  37           2HA      GLY  37   4.566   0.858   5.173
  241    HA3  GLY  37           1HA      GLY  37   3.929   2.492   5.367
  242    H    CYS  38           H        CYS  38   5.757   4.033   4.022
  243    HA   CYS  38           HA       CYS  38   6.668   3.056   1.490
  244    HB2  CYS  38           2HB      CYS  38   4.686   4.303   0.222
  245    HB3  CYS  38           1HB      CYS  38   4.506   2.627   0.732
  246    H    SER  39           H        SER  39   8.366   4.532   1.742
  247    HA   SER  39           HA       SER  39   7.625   7.439   1.898
  248    HB2  SER  39           2HB      SER  39  10.203   6.004   2.632
  249    HB3  SER  39           1HB      SER  39   9.844   7.706   2.912
  250    HG   SER  39           HG       SER  39   8.260   7.134   4.356
  251    H    THR  40           H        THR  40   7.969   8.564   0.006
  252    HA   THR  40           HA       THR  40   9.929   7.436  -1.964
  253    HB   THR  40           HB       THR  40   8.445   8.992  -3.489
  254    HG1  THR  40           HG1      THR  40   6.485   9.448  -2.658
  255   HG21  THR  40          3HG2      THR  40   6.907   7.151  -3.863
  256   HG22  THR  40          1HG2      THR  40   7.276   6.473  -2.278
  257   HG23  THR  40          2HG2      THR  40   8.513   6.496  -3.537
  258    H    SER  41           H        SER  41  11.197   9.102  -3.188
  259    HA   SER  41           HA       SER  41  12.213  11.188  -1.432
  260    HB2  SER  41           2HB      SER  41  12.807  10.813  -4.365
  261    HB3  SER  41           1HB      SER  41  13.884  11.425  -3.114
  262    HG   SER  41           HG       SER  41  14.028   9.372  -2.261
  263    H    SER  42           H        SER  42   9.750  12.097  -1.502
  264    HA   SER  42           HA       SER  42   9.155  13.794  -3.834
  265    HB2  SER  42           2HB      SER  42   7.732  12.635  -1.780
  266    HB3  SER  42           1HB      SER  42   7.815  14.308  -1.232
  267    HG   SER  42           HG       SER  42   6.299  14.661  -2.642
  268    H    PHE  43           H        PHE  43  11.549  14.705  -3.421
  269    HA   PHE  43           HA       PHE  43  11.631  16.830  -1.366
  270    HB2  PHE  43           2HB      PHE  43  13.622  15.918  -3.450
  271    HB3  PHE  43           1HB      PHE  43  13.974  17.050  -2.147
  272    HD1  PHE  43           HD1      PHE  43  12.824  16.000   0.216
  273    HD2  PHE  43           HD2      PHE  43  14.594  13.852  -3.058
  274    HE1  PHE  43           HE1      PHE  43  13.346  14.095   1.742
  275    HE2  PHE  43           HE2      PHE  43  15.114  11.955  -1.528
  276    HZ   PHE  43           HZ       PHE  43  14.490  12.089   0.861
  277    H    PHE  44           H        PHE  44  12.225  16.727  -4.880
  278    HA   PHE  44           HA       PHE  44  11.490  19.616  -5.018
  279    HB2  PHE  44           2HB      PHE  44  13.551  17.992  -6.097
  280    HB3  PHE  44           1HB      PHE  44  12.540  18.484  -7.455
  281    HD1  PHE  44           HD2      PHE  44  14.364  19.785  -4.477
  282    HD2  PHE  44           HD1      PHE  44  12.631  20.683  -8.308
  283    HE1  PHE  44           HE2      PHE  44  15.379  22.062  -4.408
  284    HE2  PHE  44           HE1      PHE  44  13.650  22.959  -8.229
  285    HZ   PHE  44           HZ       PHE  44  15.019  23.634  -6.283
  286    H    LYS  45           H        LYS  45   9.959  20.315  -6.591
  287    HA   LYS  45           HA       LYS  45   7.908  18.325  -7.290
  288    HB2  LYS  45           2HB      LYS  45   7.279  20.470  -6.325
  289    HB3  LYS  45           1HB      LYS  45   8.159  21.334  -7.584
  290    HG2  LYS  45           2HG      LYS  45   6.199  19.441  -8.682
  291    HG3  LYS  45           1HG      LYS  45   5.453  20.676  -7.665
  292    HD2  LYS  45           2HD      LYS  45   7.367  21.224  -9.955
  293    HD3  LYS  45           1HD      LYS  45   5.615  21.382 -10.045
  294    HE2  LYS  45           2HE      LYS  45   5.683  23.435  -9.087
  295    HE3  LYS  45           1HE      LYS  45   6.680  22.837  -7.747
  296    HZ1  LYS  45           3HZ      LYS  45   8.625  22.962  -9.126
  297    HZ2  LYS  45           1HZ      LYS  45   7.850  24.469  -9.169
  298    HZ3  LYS  45           2HZ      LYS  45   7.705  23.403 -10.486
  299    H    ILE  46           H        ILE  46   7.301  17.846  -9.436
  300    HA   ILE  46           HA       ILE  46   9.388  17.973 -11.461
  301    HB   ILE  46           HB       ILE  46   6.469  17.145 -11.500
  302   HG12  ILE  46          2HG1      ILE  46   8.986  15.456 -11.276
  303   HG13  ILE  46          1HG1      ILE  46   7.954  15.893  -9.914
  304   HG21  ILE  46          1HG2      ILE  46   6.741  16.322 -13.636
  305   HG22  ILE  46          2HG2      ILE  46   8.466  16.026 -13.409
  306   HG23  ILE  46          3HG2      ILE  46   7.886  17.662 -13.719
  307   HD11  ILE  46          3HD1      ILE  46   6.881  14.500 -12.368
  308   HD12  ILE  46          1HD1      ILE  46   6.103  14.678 -10.797
  309   HD13  ILE  46          2HD1      ILE  46   7.495  13.608 -10.974
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1 -18.319   4.425   0.447
    2    H2   GLY   1           2H       GLY   1 -18.590   2.791   0.071
    3    H3   GLY   1           3H       GLY   1 -19.848   3.920  -0.081
    4    HA2  GLY   1           2HA      GLY   1 -19.077   4.776  -2.020
    5    HA3  GLY   1           1HA      GLY   1 -17.407   4.366  -1.625
    6    HA   HYP   2           HA       HYP   2 -19.554   0.981  -4.176
    7    HB2  HYP   2           1HB      HYP   2 -18.763   1.647  -6.708
    8    HB3  HYP   2           2HB      HYP   2 -20.291   2.194  -5.989
    9    HG   HYP   2           HG       HYP   2 -17.715   3.622  -6.306
   10   HD22  HYP   2          1HD       HYP   2 -19.564   4.655  -4.237
   11   HD23  HYP   2          2HD       HYP   2 -17.788   4.665  -4.291
   12    HD1  HYP   2           HOD      HYP   2 -20.379   4.662  -6.247
   13    H    SER   3           H        SER   3 -16.401   2.458  -4.039
   14    HA   SER   3           HA       SER   3 -15.118  -0.080  -4.978
   15    HB2  SER   3           2HB      SER   3 -13.644   2.501  -4.588
   16    HB3  SER   3           1HB      SER   3 -13.401   1.250  -5.806
   17    HG   SER   3           HG       SER   3 -14.374   3.120  -6.693
   18    H    PHE   4           H        PHE   4 -13.665  -1.130  -3.593
   19    HA   PHE   4           HA       PHE   4 -13.303   0.036  -0.846
   20    HB2  PHE   4           2HB      PHE   4 -13.784  -2.829  -1.747
   21    HB3  PHE   4           1HB      PHE   4 -13.420  -2.353  -0.087
   22    HD1  PHE   4           HD2      PHE   4 -14.969  -0.546   0.988
   23    HD2  PHE   4           HD1      PHE   4 -16.004  -2.836  -2.497
   24    HE1  PHE   4           HE2      PHE   4 -17.364  -0.052   1.379
   25    HE2  PHE   4           HE1      PHE   4 -18.402  -2.343  -2.118
   26    HZ   PHE   4           HZ       PHE   4 -19.084  -0.952  -0.175
   27    H    CYS   5           H        CYS   5 -11.469  -1.732   0.150
   28    HA   CYS   5           HA       CYS   5  -9.304  -2.247  -1.777
   29    HB2  CYS   5           2HB      CYS   5  -7.787  -0.709  -0.283
   30    HB3  CYS   5           1HB      CYS   5  -8.797   0.031  -1.522
   31    H    LYS   6           H        LYS   6  -7.262  -2.966  -0.387
   32    HA   LYS   6           HA       LYS   6  -8.182  -5.038   1.455
   33    HB2  LYS   6           2HB      LYS   6  -6.237  -4.899  -0.384
   34    HB3  LYS   6           1HB      LYS   6  -5.296  -4.356   1.001
   35    HG2  LYS   6           2HG      LYS   6  -5.147  -6.814   0.722
   36    HG3  LYS   6           1HG      LYS   6  -5.925  -6.391   2.247
   37    HD2  LYS   6           2HD      LYS   6  -7.171  -8.192   1.142
   38    HD3  LYS   6           1HD      LYS   6  -8.150  -6.731   1.186
   39    HE2  LYS   6           2HE      LYS   6  -8.326  -7.717  -1.049
   40    HE3  LYS   6           1HE      LYS   6  -7.369  -6.232  -1.181
   41    HZ1  LYS   6           3HZ      LYS   6  -5.928  -8.692  -0.530
   42    HZ2  LYS   6           1HZ      LYS   6  -5.441  -7.363  -1.473
   43    HZ3  LYS   6           2HZ      LYS   6  -6.498  -8.529  -2.124
   44    H    ALA   7           H        ALA   7  -7.368  -5.206   3.670
   45    HA   ALA   7           HA       ALA   7  -7.168  -2.544   4.986
   46    HB1  ALA   7           3HB      ALA   7  -8.131  -3.628   6.794
   47    HB2  ALA   7           1HB      ALA   7  -7.294  -5.144   6.458
   48    HB3  ALA   7           2HB      ALA   7  -8.694  -4.676   5.492
   49    H    ASP   8           H        ASP   8  -5.769  -2.663   7.089
   50    HA   ASP   8           HA       ASP   8  -3.009  -2.871   6.357
   51    HB2  ASP   8           2HB      ASP   8  -4.525  -2.639   8.967
   52    HB3  ASP   8           1HB      ASP   8  -2.763  -2.634   8.914
   53    H    GLU   9           H        GLU   9  -1.518  -4.230   7.996
   54    HA   GLU   9           HA       GLU   9  -0.815  -6.348   8.805
   55    HB2  GLU   9           2HB      GLU   9  -3.377  -6.104   9.607
   56    HB3  GLU   9           1HB      GLU   9  -3.560  -7.469   8.509
   57    HG2  GLU   9           2HG      GLU   9  -1.775  -8.690   9.724
   58    HG3  GLU   9           1HG      GLU   9  -1.587  -7.321  10.822
   59    H    LYS  10           H        LYS  10  -3.409  -6.903   6.420
   60    HA   LYS  10           HA       LYS  10  -1.918  -9.081   5.172
   61    HB2  LYS  10           2HB      LYS  10  -3.925  -8.665   3.407
   62    HB3  LYS  10           1HB      LYS  10  -4.161  -9.528   4.917
   63    HG2  LYS  10           2HG      LYS  10  -4.906  -7.364   5.961
   64    HG3  LYS  10           1HG      LYS  10  -4.796  -6.611   4.371
   65    HD2  LYS  10           2HD      LYS  10  -7.057  -7.244   4.468
   66    HD3  LYS  10           1HD      LYS  10  -6.329  -8.618   3.633
   67    HE2  LYS  10           2HE      LYS  10  -6.380  -9.982   5.569
   68    HE3  LYS  10           1HE      LYS  10  -6.592  -8.591   6.649
   69    HZ1  LYS  10           3HZ      LYS  10  -8.709  -8.161   5.362
   70    HZ2  LYS  10           1HZ      LYS  10  -8.723  -9.489   6.412
   71    HZ3  LYS  10           2HZ      LYS  10  -8.548  -9.736   4.740
   72    HA   HYP  11           HA       HYP  11   0.211  -5.982   2.706
   73    HB2  HYP  11           1HB      HYP  11   2.337  -7.561   2.052
   74    HB3  HYP  11           2HB      HYP  11   2.194  -6.746   3.615
   75    HG   HYP  11           HG       HYP  11   2.312  -8.822   4.465
   76   HD22  HYP  11          1HD       HYP  11   0.197  -8.881   5.236
   77   HD23  HYP  11          2HD       HYP  11  -0.212  -9.845   3.809
   78    HD1  HYP  11           HOD      HYP  11   1.169  -9.897   2.087
   79    H    CYS  12           H        CYS  12   1.483  -6.369   0.424
   80    HA   CYS  12           HA       CYS  12   0.491  -8.467  -1.298
   81    HB2  CYS  12           2HB      CYS  12  -1.360  -7.500  -2.276
   82    HB3  CYS  12           1HB      CYS  12  -1.493  -6.791  -0.679
   83    H    GLU  13           H        GLU  13   0.655  -7.473  -3.782
   84    HA   GLU  13           HA       GLU  13   3.425  -6.424  -3.926
   85    HB2  GLU  13           2HB      GLU  13   1.842  -8.284  -5.349
   86    HB3  GLU  13           1HB      GLU  13   2.079  -6.928  -6.453
   87    HG2  GLU  13           2HG      GLU  13   4.432  -7.967  -4.914
   88    HG3  GLU  13           1HG      GLU  13   3.873  -8.863  -6.326
   89    H    TYR  14           H        TYR  14   0.214  -5.709  -5.331
   90    HA   TYR  14           HA       TYR  14   1.037  -3.091  -6.348
   91    HB2  TYR  14           2HB      TYR  14  -1.508  -4.694  -6.118
   92    HB3  TYR  14           1HB      TYR  14  -1.582  -2.995  -6.583
   93    HD1  TYR  14           HD1      TYR  14   0.053  -6.240  -7.468
   94    HD2  TYR  14           HD2      TYR  14  -1.101  -2.321  -8.788
   95    HE1  TYR  14           HE1      TYR  14   0.676  -6.850  -9.774
   96    HE2  TYR  14           HE2      TYR  14  -0.474  -2.922 -11.110
   97    HH   TYR  14           HH       TYR  14   1.320  -4.798 -12.112
   98    H    HIS  15           H        HIS  15   1.720  -1.827  -4.582
   99    HA   HIS  15           HA       HIS  15   0.827  -1.606  -1.991
  100    HB2  HIS  15           2HB      HIS  15   1.725   0.404  -4.031
  101    HB3  HIS  15           1HB      HIS  15   1.278   0.945  -2.414
  102    HD1  HIS  15           HD1      HIS  15   4.236   0.989  -3.559
  103    HD2  HIS  15           HD2      HIS  15   2.670  -1.962  -1.057
  104    HE1  HIS  15           HE1      HIS  15   6.209  -0.076  -2.379
  105    H    ALA  16           H        ALA  16  -0.908  -0.359  -4.833
  106    HA   ALA  16           HA       ALA  16  -2.840   1.219  -3.385
  107    HB1  ALA  16           3HB      ALA  16  -2.255   1.454  -5.781
  108    HB2  ALA  16           1HB      ALA  16  -3.989   1.212  -5.564
  109    HB3  ALA  16           2HB      ALA  16  -2.969  -0.125  -6.097
  110    H    ASP  17           H        ASP  17  -2.558  -2.233  -3.815
  111    HA   ASP  17           HA       ASP  17  -5.257  -3.089  -3.859
  112    HB2  ASP  17           2HB      ASP  17  -3.200  -4.510  -3.989
  113    HB3  ASP  17           1HB      ASP  17  -2.964  -4.259  -2.261
  114    H    CYS  18           H        CYS  18  -3.264  -2.060  -1.086
  115    HA   CYS  18           HA       CYS  18  -5.528  -2.431   0.788
  116    HB2  CYS  18           2HB      CYS  18  -2.618  -1.754   0.917
  117    HB3  CYS  18           1HB      CYS  18  -3.633  -1.172   2.235
  118    H    CYS  19           H        CYS  19  -6.114  -0.495   2.214
  119    HA   CYS  19           HA       CYS  19  -6.741   1.820   0.529
  120    HB2  CYS  19           2HB      CYS  19  -7.062   1.614   3.527
  121    HB3  CYS  19           1HB      CYS  19  -8.075   2.490   2.383
  122    H    ASN  20           H        ASN  20  -3.826   1.124   1.394
  123    HA   ASN  20           HA       ASN  20  -2.938   3.871   1.857
  124    HB2  ASN  20           2HB      ASN  20  -1.664   2.667   3.969
  125    HB3  ASN  20           1HB      ASN  20  -3.161   3.586   4.127
  126   HD21  ASN  20          1HD2      ASN  20  -4.952   2.438   4.962
  127   HD22  ASN  20          2HD2      ASN  20  -5.044   0.748   5.046
  128    H    CYS  21           H        CYS  21  -1.385   0.780   2.789
  129    HA   CYS  21           HA       CYS  21   0.233   0.670   0.314
  130    HB2  CYS  21           2HB      CYS  21   1.167   1.789   2.920
  131    HB3  CYS  21           1HB      CYS  21   2.301   0.739   2.068
  132    H    CYS  22           H        CYS  22   1.015  -1.459   0.001
  133    HA   CYS  22           HA       CYS  22   0.662  -3.349   2.300
  134    HB2  CYS  22           2HB      CYS  22  -0.238  -4.935   0.766
  135    HB3  CYS  22           1HB      CYS  22  -0.990  -3.411   0.325
  136    H    LEU  23           H        LEU  23   2.968  -3.034   2.854
  137    HA   LEU  23           HA       LEU  23   5.024  -3.662   0.866
  138    HB2  LEU  23           2HB      LEU  23   4.830  -2.946   3.757
  139    HB3  LEU  23           1HB      LEU  23   6.288  -3.799   3.252
  140    HG   LEU  23           HG       LEU  23   5.348  -1.496   1.581
  141   HD11  LEU  23          1HD1      LEU  23   5.594   0.021   3.228
  142   HD12  LEU  23          2HD1      LEU  23   7.240  -0.548   3.499
  143   HD13  LEU  23          3HD1      LEU  23   5.899  -1.271   4.388
  144   HD21  LEU  23          3HD2      LEU  23   7.485  -3.215   1.473
  145   HD22  LEU  23          1HD2      LEU  23   8.175  -1.851   2.354
  146   HD23  LEU  23          2HD2      LEU  23   7.467  -1.602   0.759
  147    H    SER  24           H        SER  24   6.340  -5.590   0.870
  148    HA   SER  24           HA       SER  24   5.137  -8.066   0.960
  149    HB2  SER  24           2HB      SER  24   7.579  -8.854   1.456
  150    HB3  SER  24           1HB      SER  24   7.278  -7.908   0.004
  151    HG   SER  24           HG       SER  24   8.818  -7.322   2.145
  152    H    GLY  25           H        GLY  25   6.612  -6.409   3.717
  153    HA2  GLY  25           2HA      GLY  25   6.385  -8.626   5.540
  154    HA3  GLY  25           1HA      GLY  25   6.591  -6.941   6.001
  155    H    ILE  26           H        ILE  26   4.333  -5.704   5.108
  156    HA   ILE  26           HA       ILE  26   1.870  -7.154   5.620
  157    HB   ILE  26           HB       ILE  26   3.512  -6.169   7.830
  158   HG12  ILE  26          2HG1      ILE  26   0.886  -7.512   8.244
  159   HG13  ILE  26          1HG1      ILE  26   2.125  -8.402   7.363
  160   HG21  ILE  26          1HG2      ILE  26   1.679  -5.174   9.162
  161   HG22  ILE  26          2HG2      ILE  26   0.619  -5.244   7.756
  162   HG23  ILE  26          3HG2      ILE  26   2.039  -4.196   7.740
  163   HD11  ILE  26          3HD1      ILE  26   2.429  -7.158  10.112
  164   HD12  ILE  26          1HD1      ILE  26   3.717  -7.978   9.228
  165   HD13  ILE  26          2HD1      ILE  26   2.300  -8.881   9.763
  166    H    CYS  27           H        CYS  27  -0.032  -5.596   5.699
  167    HA   CYS  27           HA       CYS  27   0.513  -3.238   4.012
  168    HB2  CYS  27           2HB      CYS  27  -1.776  -4.871   4.824
  169    HB3  CYS  27           1HB      CYS  27  -2.151  -3.148   4.846
  170    H    ALA  28           H        ALA  28   0.479  -1.089   4.692
  171    HA   ALA  28           HA       ALA  28  -0.146  -0.514   7.561
  172    HB1  ALA  28           3HB      ALA  28   2.105  -0.397   7.849
  173    HB2  ALA  28           1HB      ALA  28   2.029   1.092   6.909
  174    HB3  ALA  28           2HB      ALA  28   2.402  -0.437   6.110
  175    HA   HYP  29           HA       HYP  29  -2.242   3.061   6.111
  176    HB2  HYP  29           1HB      HYP  29  -1.486   4.979   7.922
  177    HB3  HYP  29           2HB      HYP  29  -2.623   3.669   8.305
  178    HG   HYP  29           HG       HYP  29   0.317   3.829   8.828
  179   HD22  HYP  29          1HD       HYP  29  -1.186   1.239   8.907
  180   HD23  HYP  29          2HD       HYP  29   0.555   1.534   8.689
  181    HD1  HYP  29           HOD      HYP  29  -0.652   2.706  10.807
  182    H    SER  30           H        SER  30  -1.839   5.534   5.649
  183    HA   SER  30           HA       SER  30   0.385   5.757   3.786
  184    HB2  SER  30           2HB      SER  30  -1.690   6.813   3.270
  185    HB3  SER  30           1HB      SER  30  -1.774   7.595   4.843
  186    HG   SER  30           HG       SER  30   0.051   8.131   2.713
  187    H    THR  31           H        THR  31   0.049   6.391   7.172
  188    HA   THR  31           HA       THR  31   2.022   8.537   7.346
  189    HB   THR  31           HB       THR  31   0.867   6.617   9.410
  190    HG1  THR  31           HG1      THR  31  -0.787   7.962   9.526
  191   HG21  THR  31          3HG2      THR  31   1.390   8.593  10.943
  192   HG22  THR  31          1HG2      THR  31   2.382   9.222   9.628
  193   HG23  THR  31          2HG2      THR  31   2.777   7.669  10.369
  194    H    ASN  32           H        ASN  32   3.526   7.086   5.891
  195    HA   ASN  32           HA       ASN  32   4.883   4.914   7.359
  196    HB2  ASN  32           2HB      ASN  32   5.185   6.140   4.604
  197    HB3  ASN  32           1HB      ASN  32   6.144   4.773   5.174
  198   HD21  ASN  32          1HD2      ASN  32   4.374   3.126   6.446
  199   HD22  ASN  32          2HD2      ASN  32   3.082   2.694   5.438
  200    H    TRP  33           H        TRP  33   5.603   6.510   9.058
  201    HA   TRP  33           HA       TRP  33   7.665   8.448   8.322
  202    HB2  TRP  33           2HB      TRP  33   7.891   8.517  10.933
  203    HB3  TRP  33           1HB      TRP  33   6.426   9.135  10.190
  204    HD1  TRP  33           HD1      TRP  33   6.858   5.366  10.465
  205    HE1  TRP  33           HE1      TRP  33   5.179   4.447  12.180
  206    HE3  TRP  33           HE3      TRP  33   5.120   9.748  12.398
  207    HZ2  TRP  33           HZ2      TRP  33   3.346   5.443  14.143
  208    HZ3  TRP  33           HZ3      TRP  33   3.428   9.734  14.213
  209    HH2  TRP  33           HH2      TRP  33   2.539   7.588  15.086
  210    H    ILE  34           H        ILE  34   8.527   6.550  11.110
  211    HA   ILE  34           HA       ILE  34  11.145   5.975  10.178
  212    HB   ILE  34           HB       ILE  34  11.217   4.446  12.136
  213   HG12  ILE  34          2HG1      ILE  34   8.243   5.005  12.350
  214   HG13  ILE  34          1HG1      ILE  34   8.927   3.487  11.764
  215   HG21  ILE  34          1HG2      ILE  34  11.108   6.161  13.669
  216   HG22  ILE  34          2HG2      ILE  34   9.527   6.705  13.110
  217   HG23  ILE  34          3HG2      ILE  34  10.975   7.125  12.198
  218   HD11  ILE  34          3HD1      ILE  34   8.350   4.049  14.409
  219   HD12  ILE  34          1HD1      ILE  34  10.081   4.378  14.319
  220   HD13  ILE  34          2HD1      ILE  34   9.458   2.792  13.860
  221    H    LEU  35           H        LEU  35   8.208   4.428   9.300
  222    HA   LEU  35           HA       LEU  35   9.717   2.075   8.229
  223    HB2  LEU  35           2HB      LEU  35   7.155   1.205   8.268
  224    HB3  LEU  35           1HB      LEU  35   8.247   1.015   9.635
  225    HG   LEU  35           HG       LEU  35   7.360   3.197  10.548
  226   HD11  LEU  35          1HD1      LEU  35   6.529   4.077   8.374
  227   HD12  LEU  35          2HD1      LEU  35   5.269   4.063   9.610
  228   HD13  LEU  35          3HD1      LEU  35   5.293   2.818   8.362
  229   HD21  LEU  35          3HD2      LEU  35   5.777   0.698  10.186
  230   HD22  LEU  35          1HD2      LEU  35   4.928   2.097  10.850
  231   HD23  LEU  35          2HD2      LEU  35   6.357   1.463  11.666
  232    HA   PRO  36           HA       PRO  36   7.988   4.531   4.690
  233    HB2  PRO  36           2HB      PRO  36  10.333   4.649   3.273
  234    HB3  PRO  36           1HB      PRO  36   9.884   5.850   4.499
  235    HG2  PRO  36           2HG      PRO  36  11.761   3.555   4.692
  236    HG3  PRO  36           1HG      PRO  36  11.868   5.173   5.403
  237    HD2  PRO  36           2HD      PRO  36  11.105   2.934   6.802
  238    HD3  PRO  36           1HD      PRO  36  10.628   4.590   7.238
  239    H    GLY  37           H        GLY  37   8.554   3.828   2.170
  240    HA2  GLY  37           2HA      GLY  37   9.460   1.420   1.295
  241    HA3  GLY  37           1HA      GLY  37   7.954   0.946   2.078
  242    H    CYS  38           H        CYS  38   6.431   3.300   1.352
  243    HA   CYS  38           HA       CYS  38   6.377   3.069  -1.642
  244    HB2  CYS  38           2HB      CYS  38   3.847   3.070  -1.347
  245    HB3  CYS  38           1HB      CYS  38   4.663   1.626  -0.753
  246    H    SER  39           H        SER  39   5.957   5.013  -2.714
  247    HA   SER  39           HA       SER  39   5.200   7.399  -1.057
  248    HB2  SER  39           2HB      SER  39   7.329   7.337  -3.213
  249    HB3  SER  39           1HB      SER  39   6.995   8.648  -2.088
  250    HG   SER  39           HG       SER  39   8.037   7.597  -0.549
  251    H    THR  40           H        THR  40   3.540   5.773  -2.859
  252    HA   THR  40           HA       THR  40   3.214   7.443  -5.301
  253    HB   THR  40           HB       THR  40   1.415   5.578  -5.648
  254    HG1  THR  40           HG1      THR  40   1.217   4.640  -3.708
  255   HG21  THR  40          3HG2      THR  40   3.677   5.674  -6.746
  256   HG22  THR  40          1HG2      THR  40   3.122   4.032  -6.444
  257   HG23  THR  40          2HG2      THR  40   4.331   4.761  -5.385
  258    H    SER  41           H        SER  41   2.498   9.338  -3.925
  259    HA   SER  41           HA       SER  41  -0.354   9.038  -3.015
  260    HB2  SER  41           2HB      SER  41   1.846   9.756  -1.574
  261    HB3  SER  41           1HB      SER  41   1.310  11.335  -2.137
  262    HG   SER  41           HG       SER  41  -0.374   9.411  -0.877
  263    H    SER  42           H        SER  42  -0.459   9.411  -5.597
  264    HA   SER  42           HA       SER  42  -1.347  12.189  -5.961
  265    HB2  SER  42           2HB      SER  42   1.248  11.132  -6.968
  266    HB3  SER  42           1HB      SER  42   0.319  12.105  -8.104
  267    HG   SER  42           HG       SER  42   0.223  13.734  -6.489
  268    H    PHE  43           H        PHE  43  -3.347  11.589  -6.824
  269    HA   PHE  43           HA       PHE  43  -3.614   9.317  -8.672
  270    HB2  PHE  43           2HB      PHE  43  -5.294  11.140  -7.108
  271    HB3  PHE  43           1HB      PHE  43  -5.959  10.847  -8.712
  272    HD1  PHE  43           HD2      PHE  43  -5.466   8.183  -9.427
  273    HD2  PHE  43           HD1      PHE  43  -6.190   9.746  -5.491
  274    HE1  PHE  43           HE2      PHE  43  -6.266   5.955  -8.690
  275    HE2  PHE  43           HE1      PHE  43  -6.991   7.520  -4.752
  276    HZ   PHE  43           HZ       PHE  43  -7.032   5.622  -6.352
  277    H    PHE  44           H        PHE  44  -1.902  10.467 -10.135
  278    HA   PHE  44           HA       PHE  44  -2.741  12.779 -11.687
  279    HB2  PHE  44           2HB      PHE  44  -0.427  11.103 -11.324
  280    HB3  PHE  44           1HB      PHE  44  -0.767  11.234 -13.049
  281    HD1  PHE  44           HD1      PHE  44  -0.764  13.416 -14.182
  282    HD2  PHE  44           HD2      PHE  44   0.177  13.055 -10.004
  283    HE1  PHE  44           HE1      PHE  44   0.168  15.714 -14.194
  284    HE2  PHE  44           HE2      PHE  44   1.106  15.352 -10.012
  285    HZ   PHE  44           HZ       PHE  44   1.102  16.687 -12.107
  286    H    LYS  45           H        LYS  45  -4.076  12.777 -13.429
  287    HA   LYS  45           HA       LYS  45  -4.479  10.241 -14.963
  288    HB2  LYS  45           2HB      LYS  45  -6.878  10.615 -14.854
  289    HB3  LYS  45           1HB      LYS  45  -6.258  10.747 -13.208
  290    HG2  LYS  45           2HG      LYS  45  -6.138  13.227 -13.490
  291    HG3  LYS  45           1HG      LYS  45  -6.867  13.054 -15.087
  292    HD2  LYS  45           2HD      LYS  45  -8.865  12.011 -14.056
  293    HD3  LYS  45           1HD      LYS  45  -8.141  12.217 -12.460
  294    HE2  LYS  45           2HE      LYS  45  -8.315  14.644 -14.210
  295    HE3  LYS  45           1HE      LYS  45  -9.809  14.060 -13.445
  296    HZ1  LYS  45           3HZ      LYS  45  -8.358  15.623 -12.081
  297    HZ2  LYS  45           1HZ      LYS  45  -7.278  14.330 -11.930
  298    HZ3  LYS  45           2HZ      LYS  45  -8.858  14.190 -11.323
  299    H    ILE  46           H        ILE  46  -6.543  11.654 -16.579
  300    HA   ILE  46           HA       ILE  46  -4.730  13.122 -18.402
  301    HB   ILE  46           HB       ILE  46  -7.642  12.275 -18.557
  302   HG12  ILE  46          2HG1      ILE  46  -5.865  10.446 -18.401
  303   HG13  ILE  46          1HG1      ILE  46  -6.878  10.395 -19.843
  304   HG21  ILE  46          1HG2      ILE  46  -7.639  13.782 -20.262
  305   HG22  ILE  46          2HG2      ILE  46  -6.776  12.515 -21.133
  306   HG23  ILE  46          3HG2      ILE  46  -5.879  13.822 -20.361
  307   HD11  ILE  46          3HD1      ILE  46  -4.192  10.259 -19.967
  308   HD12  ILE  46          1HD1      ILE  46  -4.382  12.011 -20.018
  309   HD13  ILE  46          2HD1      ILE  46  -5.156  11.006 -21.242
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1  -5.626   1.363  -4.124
    2    H2   GLY   1           2H       GLY   1  -6.854   2.510  -3.855
    3    H3   GLY   1           3H       GLY   1  -5.360   2.996  -4.496
    4    HA2  GLY   1           2HA      GLY   1  -5.951   2.515  -6.571
    5    HA3  GLY   1           1HA      GLY   1  -6.595   0.952  -6.074
    6    HA   HYP   2           HA       HYP   2 -10.418   3.061  -7.125
    7    HB2  HYP   2           1HB      HYP   2 -11.986   0.832  -7.030
    8    HB3  HYP   2           2HB      HYP   2 -10.949   1.219  -8.414
    9    HG   HYP   2           HG       HYP   2 -10.493  -0.676  -6.167
   10   HD22  HYP   2          1HD       HYP   2  -8.129   0.268  -7.690
   11   HD23  HYP   2          2HD       HYP   2  -8.269  -0.235  -5.990
   12    HD1  HYP   2           HOD      HYP   2  -9.597  -1.891  -7.944
   13    H    SER   3           H        SER   3 -12.849   2.257  -5.987
   14    HA   SER   3           HA       SER   3 -12.743   3.369  -3.348
   15    HB2  SER   3           2HB      SER   3 -15.114   1.926  -3.547
   16    HB3  SER   3           1HB      SER   3 -14.878   3.584  -4.083
   17    HG   SER   3           HG       SER   3 -15.487   1.503  -5.565
   18    H    PHE   4           H        PHE   4 -13.288  -0.033  -4.400
   19    HA   PHE   4           HA       PHE   4 -13.233  -1.118  -1.716
   20    HB2  PHE   4           2HB      PHE   4 -13.996  -1.997  -4.175
   21    HB3  PHE   4           1HB      PHE   4 -12.423  -2.785  -4.049
   22    HD1  PHE   4           HD2      PHE   4 -15.718  -2.367  -2.369
   23    HD2  PHE   4           HD1      PHE   4 -12.077  -4.638  -2.579
   24    HE1  PHE   4           HE2      PHE   4 -16.693  -4.071  -0.856
   25    HE2  PHE   4           HE1      PHE   4 -13.054  -6.343  -1.065
   26    HZ   PHE   4           HZ       PHE   4 -15.363  -6.061  -0.205
   27    H    CYS   5           H        CYS   5 -11.436  -2.063  -0.612
   28    HA   CYS   5           HA       CYS   5  -8.790  -2.106  -1.953
   29    HB2  CYS   5           2HB      CYS   5  -7.848  -0.445  -0.476
   30    HB3  CYS   5           1HB      CYS   5  -9.328   0.241  -1.146
   31    H    LYS   6           H        LYS   6  -7.064  -2.878  -0.391
   32    HA   LYS   6           HA       LYS   6  -8.052  -5.135   1.221
   33    HB2  LYS   6           2HB      LYS   6  -6.018  -4.935  -0.433
   34    HB3  LYS   6           1HB      LYS   6  -5.199  -4.197   0.941
   35    HG2  LYS   6           2HG      LYS   6  -4.660  -6.348   1.461
   36    HG3  LYS   6           1HG      LYS   6  -6.288  -6.390   2.136
   37    HD2  LYS   6           2HD      LYS   6  -7.101  -7.702   0.454
   38    HD3  LYS   6           1HD      LYS   6  -6.114  -6.912  -0.778
   39    HE2  LYS   6           2HE      LYS   6  -4.874  -8.731   1.309
   40    HE3  LYS   6           1HE      LYS   6  -5.512  -9.364  -0.219
   41    HZ1  LYS   6           3HZ      LYS   6  -3.657  -8.683  -1.204
   42    HZ2  LYS   6           1HZ      LYS   6  -3.077  -7.984   0.233
   43    HZ3  LYS   6           2HZ      LYS   6  -4.045  -7.064  -0.837
   44    H    ALA   7           H        ALA   7  -7.370  -5.362   3.497
   45    HA   ALA   7           HA       ALA   7  -7.368  -2.751   4.924
   46    HB1  ALA   7           3HB      ALA   7  -8.814  -3.925   6.197
   47    HB2  ALA   7           1HB      ALA   7  -7.480  -4.963   6.695
   48    HB3  ALA   7           2HB      ALA   7  -8.457  -5.397   5.294
   49    H    ASP   8           H        ASP   8  -6.029  -2.818   7.051
   50    HA   ASP   8           HA       ASP   8  -3.243  -2.989   6.436
   51    HB2  ASP   8           2HB      ASP   8  -4.792  -2.870   9.040
   52    HB3  ASP   8           1HB      ASP   8  -3.046  -2.653   8.937
   53    H    GLU   9           H        GLU   9  -1.712  -4.338   7.896
   54    HA   GLU   9           HA       GLU   9  -0.895  -6.409   8.661
   55    HB2  GLU   9           2HB      GLU   9  -3.394  -6.257   9.661
   56    HB3  GLU   9           1HB      GLU   9  -3.591  -7.670   8.622
   57    HG2  GLU   9           2HG      GLU   9  -1.548  -8.669   9.683
   58    HG3  GLU   9           1HG      GLU   9  -1.496  -7.300  10.791
   59    H    LYS  10           H        LYS  10  -3.577  -6.969   6.361
   60    HA   LYS  10           HA       LYS  10  -2.056  -9.130   5.064
   61    HB2  LYS  10           2HB      LYS  10  -4.149  -8.999   3.497
   62    HB3  LYS  10           1HB      LYS  10  -4.359  -9.577   5.143
   63    HG2  LYS  10           2HG      LYS  10  -4.668  -6.649   4.811
   64    HG3  LYS  10           1HG      LYS  10  -5.887  -7.626   3.994
   65    HD2  LYS  10           2HD      LYS  10  -5.161  -8.329   6.814
   66    HD3  LYS  10           1HD      LYS  10  -6.196  -6.927   6.545
   67    HE2  LYS  10           2HE      LYS  10  -7.868  -8.268   5.438
   68    HE3  LYS  10           1HE      LYS  10  -6.777  -9.666   5.357
   69    HZ1  LYS  10           3HZ      LYS  10  -7.070 -10.144   7.523
   70    HZ2  LYS  10           1HZ      LYS  10  -8.510  -9.268   7.360
   71    HZ3  LYS  10           2HZ      LYS  10  -7.131  -8.517   8.006
   72    HA   HYP  11           HA       HYP  11  -0.135  -5.820   2.657
   73    HB2  HYP  11           1HB      HYP  11   1.837  -7.414   1.638
   74    HB3  HYP  11           2HB      HYP  11   1.913  -6.699   3.257
   75    HG   HYP  11           HG       HYP  11   2.128  -8.878   3.831
   76   HD22  HYP  11          1HD       HYP  11   0.308  -8.439   5.084
   77   HD23  HYP  11          2HD       HYP  11  -0.450  -9.658   4.039
   78    HD1  HYP  11           HOD      HYP  11   2.015  -9.777   1.733
   79    H    CYS  12           H        CYS  12   1.015  -6.259   0.236
   80    HA   CYS  12           HA       CYS  12  -0.843  -7.839  -1.486
   81    HB2  CYS  12           2HB      CYS  12  -1.679  -5.931  -2.620
   82    HB3  CYS  12           1HB      CYS  12  -1.705  -5.452  -0.926
   83    H    GLU  13           H        GLU  13  -0.083  -6.860  -3.950
   84    HA   GLU  13           HA       GLU  13   2.756  -7.708  -4.077
   85    HB2  GLU  13           2HB      GLU  13   0.350  -7.861  -5.706
   86    HB3  GLU  13           1HB      GLU  13   1.705  -7.236  -6.642
   87    HG2  GLU  13           2HG      GLU  13   2.932  -9.267  -5.305
   88    HG3  GLU  13           1HG      GLU  13   1.306  -9.931  -5.485
   89    H    TYR  14           H        TYR  14   0.690  -4.920  -4.820
   90    HA   TYR  14           HA       TYR  14   3.131  -3.355  -5.572
   91    HB2  TYR  14           2HB      TYR  14   0.264  -2.598  -6.190
   92    HB3  TYR  14           1HB      TYR  14   1.731  -2.123  -7.042
   93    HD1  TYR  14           HD1      TYR  14   3.148  -4.261  -7.958
   94    HD2  TYR  14           HD2      TYR  14  -1.084  -4.170  -7.217
   95    HE1  TYR  14           HE1      TYR  14   2.834  -6.175  -9.509
   96    HE2  TYR  14           HE2      TYR  14  -1.394  -6.085  -8.764
   97    HH   TYR  14           HH       TYR  14   0.886  -8.100  -9.694
   98    H    HIS  15           H        HIS  15   0.850  -1.078  -5.168
   99    HA   HIS  15           HA       HIS  15   1.105  -0.949  -2.188
  100    HB2  HIS  15           2HB      HIS  15   2.363   0.688  -4.243
  101    HB3  HIS  15           1HB      HIS  15   1.400   1.673  -3.139
  102    HD1  HIS  15           HD1      HIS  15   3.905   2.507  -2.389
  103    HD2  HIS  15           HD2      HIS  15   2.832  -1.378  -1.305
  104    HE1  HIS  15           HE1      HIS  15   5.501   1.803  -0.551
  105    H    ALA  16           H        ALA  16  -0.835  -0.262  -5.028
  106    HA   ALA  16           HA       ALA  16  -2.711   1.468  -3.576
  107    HB1  ALA  16           3HB      ALA  16  -3.165   2.121  -5.691
  108    HB2  ALA  16           1HB      ALA  16  -3.640   0.478  -6.130
  109    HB3  ALA  16           2HB      ALA  16  -1.952   0.969  -6.250
  110    H    ASP  17           H        ASP  17  -2.237  -1.834  -3.595
  111    HA   ASP  17           HA       ASP  17  -4.882  -2.922  -3.918
  112    HB2  ASP  17           2HB      ASP  17  -2.718  -4.161  -3.930
  113    HB3  ASP  17           1HB      ASP  17  -2.522  -3.800  -2.219
  114    H    CYS  18           H        CYS  18  -3.108  -1.679  -1.085
  115    HA   CYS  18           HA       CYS  18  -5.417  -2.163   0.713
  116    HB2  CYS  18           2HB      CYS  18  -2.559  -1.328   0.907
  117    HB3  CYS  18           1HB      CYS  18  -3.636  -0.785   2.192
  118    H    CYS  19           H        CYS  19  -6.421  -0.363   1.909
  119    HA   CYS  19           HA       CYS  19  -7.080   1.943   0.311
  120    HB2  CYS  19           2HB      CYS  19  -7.564   0.890   3.019
  121    HB3  CYS  19           1HB      CYS  19  -7.615   2.651   2.919
  122    H    ASN  20           H        ASN  20  -4.193   1.259   1.977
  123    HA   ASN  20           HA       ASN  20  -3.370   4.110   1.814
  124    HB2  ASN  20           2HB      ASN  20  -2.889   2.293   4.201
  125    HB3  ASN  20           1HB      ASN  20  -2.457   4.000   4.070
  126   HD21  ASN  20          1HD2      ASN  20  -5.082   1.779   4.742
  127   HD22  ASN  20          2HD2      ASN  20  -6.268   2.958   5.021
  128    H    CYS  21           H        CYS  21  -1.799   1.147   3.138
  129    HA   CYS  21           HA       CYS  21   0.047   1.102   0.785
  130    HB2  CYS  21           2HB      CYS  21   0.673   1.829   3.627
  131    HB3  CYS  21           1HB      CYS  21   1.895   0.981   2.679
  132    H    CYS  22           H        CYS  22   0.988  -0.990   0.469
  133    HA   CYS  22           HA       CYS  22   0.520  -3.048   2.559
  134    HB2  CYS  22           2HB      CYS  22  -0.386  -4.541   0.672
  135    HB3  CYS  22           1HB      CYS  22  -1.451  -3.270   1.248
  136    H    LEU  23           H        LEU  23   2.886  -2.859   2.711
  137    HA   LEU  23           HA       LEU  23   4.545  -3.526   0.387
  138    HB2  LEU  23           2HB      LEU  23   4.921  -3.126   3.354
  139    HB3  LEU  23           1HB      LEU  23   6.241  -3.774   2.380
  140    HG   LEU  23           HG       LEU  23   4.808  -1.300   1.449
  141   HD11  LEU  23          1HD1      LEU  23   6.640  -0.020   2.684
  142   HD12  LEU  23          2HD1      LEU  23   6.913  -1.491   3.616
  143   HD13  LEU  23          3HD1      LEU  23   5.352  -0.674   3.695
  144   HD21  LEU  23          3HD2      LEU  23   7.562  -2.516   1.154
  145   HD22  LEU  23          1HD2      LEU  23   7.210  -0.857   0.676
  146   HD23  LEU  23          2HD2      LEU  23   6.372  -2.196  -0.110
  147    H    SER  24           H        SER  24   5.830  -5.517   0.227
  148    HA   SER  24           HA       SER  24   4.477  -7.928   0.361
  149    HB2  SER  24           2HB      SER  24   7.227  -8.441   0.928
  150    HB3  SER  24           1HB      SER  24   6.420  -8.502  -0.634
  151    HG   SER  24           HG       SER  24   7.885  -6.934  -0.912
  152    H    GLY  25           H        GLY  25   6.326  -6.406   2.960
  153    HA2  GLY  25           2HA      GLY  25   6.307  -8.606   4.785
  154    HA3  GLY  25           1HA      GLY  25   6.500  -6.918   5.240
  155    H    ILE  26           H        ILE  26   4.149  -5.730   4.638
  156    HA   ILE  26           HA       ILE  26   1.789  -7.282   5.297
  157    HB   ILE  26           HB       ILE  26   3.568  -6.333   7.409
  158   HG12  ILE  26          2HG1      ILE  26   0.993  -7.752   7.940
  159   HG13  ILE  26          1HG1      ILE  26   2.210  -8.580   6.968
  160   HG21  ILE  26          1HG2      ILE  26   0.661  -5.476   7.612
  161   HG22  ILE  26          2HG2      ILE  26   2.040  -4.388   7.469
  162   HG23  ILE  26          3HG2      ILE  26   1.857  -5.389   8.907
  163   HD11  ILE  26          3HD1      ILE  26   2.453  -9.069   9.392
  164   HD12  ILE  26          1HD1      ILE  26   2.710  -7.350   9.692
  165   HD13  ILE  26          2HD1      ILE  26   3.875  -8.262   8.732
  166    H    CYS  27           H        CYS  27  -0.145  -5.819   5.609
  167    HA   CYS  27           HA       CYS  27   0.106  -3.355   4.005
  168    HB2  CYS  27           2HB      CYS  27  -1.761  -4.918   3.696
  169    HB3  CYS  27           1HB      CYS  27  -2.239  -4.702   5.376
  170    H    ALA  28           H        ALA  28  -0.125  -1.258   4.807
  171    HA   ALA  28           HA       ALA  28  -0.786  -0.838   7.666
  172    HB1  ALA  28           3HB      ALA  28   1.590   0.577   7.369
  173    HB2  ALA  28           1HB      ALA  28   1.912  -0.921   6.493
  174    HB3  ALA  28           2HB      ALA  28   1.432  -0.975   8.192
  175    HA   HYP  29           HA       HYP  29  -2.144   3.138   6.294
  176    HB2  HYP  29           1HB      HYP  29  -1.130   4.892   8.134
  177    HB3  HYP  29           2HB      HYP  29  -2.473   3.787   8.489
  178    HG   HYP  29           HG       HYP  29   0.433   3.506   9.109
  179   HD22  HYP  29          1HD       HYP  29  -1.324   1.106   9.137
  180   HD23  HYP  29          2HD       HYP  29   0.427   1.238   8.874
  181    HD1  HYP  29           HOD      HYP  29  -1.775   2.553  10.640
  182    H    SER  30           H        SER  30  -1.413   5.260   5.377
  183    HA   SER  30           HA       SER  30   1.344   5.034   4.273
  184    HB2  SER  30           2HB      SER  30  -0.840   6.981   3.496
  185    HB3  SER  30           1HB      SER  30   0.503   6.405   2.514
  186    HG   SER  30           HG       SER  30  -1.007   5.065   1.842
  187    H    THR  31           H        THR  31   0.060   6.523   6.946
  188    HA   THR  31           HA       THR  31   1.218   9.188   6.594
  189    HB   THR  31           HB       THR  31  -0.822   8.572   7.971
  190    HG1  THR  31           HG1      THR  31   0.384  10.520   8.296
  191   HG21  THR  31          3HG2      THR  31   0.535   6.543   8.992
  192   HG22  THR  31          1HG2      THR  31  -0.680   7.378   9.959
  193   HG23  THR  31          2HG2      THR  31   1.031   7.748  10.179
  194    H    ASN  32           H        ASN  32   3.420   8.682   6.073
  195    HA   ASN  32           HA       ASN  32   5.047   7.559   8.321
  196    HB2  ASN  32           2HB      ASN  32   5.024   7.275   5.362
  197    HB3  ASN  32           1HB      ASN  32   6.621   7.379   6.099
  198   HD21  ASN  32          1HD2      ASN  32   3.651   5.841   7.464
  199   HD22  ASN  32          2HD2      ASN  32   4.331   4.292   7.581
  200    H    TRP  33           H        TRP  33   7.252   8.549   8.487
  201    HA   TRP  33           HA       TRP  33   7.383  11.354   7.465
  202    HB2  TRP  33           2HB      TRP  33   8.487  11.721   9.876
  203    HB3  TRP  33           1HB      TRP  33   6.752  11.846   9.631
  204    HD1  TRP  33           HD1      TRP  33   5.500   9.233   9.936
  205    HE1  TRP  33           HE1      TRP  33   5.838   7.641  11.935
  206    HE3  TRP  33           HE3      TRP  33   9.899  11.063  11.779
  207    HZ2  TRP  33           HZ2      TRP  33   7.715   7.207  14.055
  208    HZ3  TRP  33           HZ3      TRP  33  10.926  10.041  13.803
  209    HH2  TRP  33           HH2      TRP  33   9.836   8.126  14.932
  210    H    ILE  34           H        ILE  34   9.488   9.256   9.508
  211    HA   ILE  34           HA       ILE  34  11.739   9.893   7.637
  212    HB   ILE  34           HB       ILE  34  13.164   9.202   9.505
  213   HG12  ILE  34          2HG1      ILE  34  10.637   8.639  11.075
  214   HG13  ILE  34          1HG1      ILE  34  11.563   7.375  10.266
  215   HG21  ILE  34          1HG2      ILE  34  12.585  11.471   9.728
  216   HG22  ILE  34          2HG2      ILE  34  12.184  10.792  11.306
  217   HG23  ILE  34          3HG2      ILE  34  10.907  11.096  10.131
  218   HD11  ILE  34          3HD1      ILE  34  12.115   7.802  12.739
  219   HD12  ILE  34          1HD1      ILE  34  12.853   9.308  12.192
  220   HD13  ILE  34          2HD1      ILE  34  13.476   7.761  11.617
  221    H    LEU  35           H        LEU  35   9.440   7.703   7.590
  222    HA   LEU  35           HA       LEU  35  11.204   5.317   7.239
  223    HB2  LEU  35           2HB      LEU  35   8.264   5.757   7.835
  224    HB3  LEU  35           1HB      LEU  35   8.893   4.179   7.363
  225    HG   LEU  35           HG       LEU  35  10.518   5.418   9.448
  226   HD11  LEU  35          1HD1      LEU  35   8.041   6.228   9.840
  227   HD12  LEU  35          2HD1      LEU  35   8.979   5.594  11.192
  228   HD13  LEU  35          3HD1      LEU  35   7.793   4.569  10.381
  229   HD21  LEU  35          3HD2      LEU  35   9.784   3.149  10.532
  230   HD22  LEU  35          1HD2      LEU  35  10.828   3.119   9.111
  231   HD23  LEU  35          2HD2      LEU  35   9.100   2.812   8.942
  232    HA   PRO  36           HA       PRO  36  10.348   6.364   2.918
  233    HB2  PRO  36           2HB      PRO  36  12.257   4.688   1.874
  234    HB3  PRO  36           1HB      PRO  36  12.625   6.304   2.514
  235    HG2  PRO  36           2HG      PRO  36  12.974   3.635   3.788
  236    HG3  PRO  36           1HG      PRO  36  14.025   5.059   3.853
  237    HD2  PRO  36           2HD      PRO  36  12.344   4.344   5.879
  238    HD3  PRO  36           1HD      PRO  36  12.832   6.025   5.556
  239    H    GLY  37           H        GLY  37   8.367   4.927   3.847
  240    HA2  GLY  37           2HA      GLY  37   8.419   2.214   2.622
  241    HA3  GLY  37           1HA      GLY  37   7.204   2.804   3.763
  242    H    CYS  38           H        CYS  38   6.167   5.009   2.748
  243    HA   CYS  38           HA       CYS  38   5.331   4.286  -0.041
  244    HB2  CYS  38           2HB      CYS  38   3.760   5.705   2.152
  245    HB3  CYS  38           1HB      CYS  38   3.138   5.204   0.580
  246    H    SER  39           H        SER  39   7.576   5.925   0.222
  247    HA   SER  39           HA       SER  39   6.503   8.695  -0.271
  248    HB2  SER  39           2HB      SER  39   9.294   7.683   0.458
  249    HB3  SER  39           1HB      SER  39   8.838   9.374   0.242
  250    HG   SER  39           HG       SER  39   8.787   8.600   2.458
  251    H    THR  40           H        THR  40   5.885   7.877  -2.439
  252    HA   THR  40           HA       THR  40   7.712   6.844  -4.364
  253    HB   THR  40           HB       THR  40   5.912   7.876  -5.937
  254    HG1  THR  40           HG1      THR  40   4.509   9.127  -5.022
  255   HG21  THR  40          3HG2      THR  40   4.581   6.020  -5.578
  256   HG22  THR  40          1HG2      THR  40   4.646   6.195  -3.826
  257   HG23  THR  40          2HG2      THR  40   6.029   5.529  -4.694
  258    H    SER  41           H        SER  41   7.065  10.184  -3.371
  259    HA   SER  41           HA       SER  41   8.772  11.219  -5.586
  260    HB2  SER  41           2HB      SER  41   6.393  12.048  -4.564
  261    HB3  SER  41           1HB      SER  41   7.499  13.022  -3.587
  262    HG   SER  41           HG       SER  41   6.738  13.531  -6.006
  263    H    SER  42           H        SER  42  10.417   9.848  -3.858
  264    HA   SER  42           HA       SER  42  12.062  12.005  -2.727
  265    HB2  SER  42           2HB      SER  42  11.945  11.096  -0.401
  266    HB3  SER  42           1HB      SER  42  10.387  11.697  -0.955
  267    HG   SER  42           HG       SER  42  10.881   9.033  -1.528
  268    H    PHE  43           H        PHE  43  14.075  11.354  -3.342
  269    HA   PHE  43           HA       PHE  43  14.793   8.445  -3.122
  270    HB2  PHE  43           2HB      PHE  43  15.606  10.548  -5.166
  271    HB3  PHE  43           1HB      PHE  43  16.250   8.909  -5.114
  272    HD1  PHE  43           HD2      PHE  43  14.231   7.067  -4.803
  273    HD2  PHE  43           HD1      PHE  43  13.927  10.892  -6.737
  274    HE1  PHE  43           HE2      PHE  43  12.280   6.257  -6.098
  275    HE2  PHE  43           HE1      PHE  43  11.976  10.082  -8.031
  276    HZ   PHE  43           HZ       PHE  43  11.147   7.766  -7.708
  277    H    PHE  44           H        PHE  44  15.143  10.119  -0.947
  278    HA   PHE  44           HA       PHE  44  17.976  11.061  -0.985
  279    HB2  PHE  44           2HB      PHE  44  15.443  11.643   0.449
  280    HB3  PHE  44           1HB      PHE  44  16.885  11.713   1.454
  281    HD1  PHE  44           HD1      PHE  44  16.155  12.639  -2.118
  282    HD2  PHE  44           HD2      PHE  44  17.621  13.901   1.718
  283    HE1  PHE  44           HE1      PHE  44  16.705  14.865  -3.061
  284    HE2  PHE  44           HE2      PHE  44  18.172  16.126   0.775
  285    HZ   PHE  44           HZ       PHE  44  17.715  16.609  -1.615
  286    H    LYS  45           H        LYS  45  18.336  10.738   1.865
  287    HA   LYS  45           HA       LYS  45  19.066   7.885   1.953
  288    HB2  LYS  45           2HB      LYS  45  20.361   8.592   3.890
  289    HB3  LYS  45           1HB      LYS  45  20.543   9.833   2.652
  290    HG2  LYS  45           2HG      LYS  45  19.013  11.303   3.749
  291    HG3  LYS  45           1HG      LYS  45  18.414  10.017   4.796
  292    HD2  LYS  45           2HD      LYS  45  21.066   9.976   5.427
  293    HD3  LYS  45           1HD      LYS  45  20.834  11.689   5.065
  294    HE2  LYS  45           2HE      LYS  45  18.665  11.417   6.562
  295    HE3  LYS  45           1HE      LYS  45  19.551  10.029   7.225
  296    HZ1  LYS  45           3HZ      LYS  45  21.457  11.460   7.613
  297    HZ2  LYS  45           1HZ      LYS  45  20.098  12.086   8.407
  298    HZ3  LYS  45           2HZ      LYS  45  20.633  12.792   6.958
  299    H    ILE  46           H        ILE  46  18.745   8.012   4.988
  300    HA   ILE  46           HA       ILE  46  15.963   7.024   5.091
  301    HB   ILE  46           HB       ILE  46  18.189   7.180   7.147
  302   HG12  ILE  46          2HG1      ILE  46  18.735   5.833   5.089
  303   HG13  ILE  46          1HG1      ILE  46  18.694   4.870   6.564
  304   HG21  ILE  46          1HG2      ILE  46  15.654   5.506   7.077
  305   HG22  ILE  46          2HG2      ILE  46  15.941   6.887   8.135
  306   HG23  ILE  46          3HG2      ILE  46  16.902   5.420   8.318
  307   HD11  ILE  46          3HD1      ILE  46  16.072   5.043   5.282
  308   HD12  ILE  46          1HD1      ILE  46  16.967   3.621   5.816
  309   HD13  ILE  46          2HD1      ILE  46  17.288   4.319   4.228
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1  -9.414   3.817 -10.601
    2    H2   GLY   1           2H       GLY   1 -10.253   2.677 -11.539
    3    H3   GLY   1           3H       GLY   1  -9.672   2.253 -10.001
    4    HA2  GLY   1           2HA      GLY   1 -11.466   4.530 -10.083
    5    HA3  GLY   1           1HA      GLY   1 -12.190   2.962 -10.446
    6    HA   HYP   2           HA       HYP   2 -10.947   3.461  -5.839
    7    HB2  HYP   2           1HB      HYP   2 -12.883   5.066  -4.767
    8    HB3  HYP   2           2HB      HYP   2 -11.330   5.687  -5.369
    9    HG   HYP   2           HG       HYP   2 -13.998   5.673  -6.663
   10   HD22  HYP   2          1HD       HYP   2 -11.648   5.955  -8.443
   11   HD23  HYP   2          2HD       HYP   2 -13.228   5.200  -8.741
   12    HD1  HYP   2           HOD      HYP   2 -13.464   7.764  -7.049
   13    H    SER   3           H        SER   3 -11.728   1.689  -4.773
   14    HA   SER   3           HA       SER   3 -14.604   1.206  -4.474
   15    HB2  SER   3           2HB      SER   3 -14.203  -1.167  -5.484
   16    HB3  SER   3           1HB      SER   3 -14.397   0.181  -6.599
   17    HG   SER   3           HG       SER   3 -11.983  -1.033  -5.704
   18    H    PHE   4           H        PHE   4 -14.472  -1.441  -3.518
   19    HA   PHE   4           HA       PHE   4 -13.512  -1.199  -0.903
   20    HB2  PHE   4           2HB      PHE   4 -13.852  -3.579  -0.769
   21    HB3  PHE   4           1HB      PHE   4 -15.033  -2.965  -1.918
   22    HD1  PHE   4           HD2      PHE   4 -11.932  -4.904  -1.499
   23    HD2  PHE   4           HD1      PHE   4 -14.818  -3.428  -4.319
   24    HE1  PHE   4           HE2      PHE   4 -11.034  -6.446  -3.224
   25    HE2  PHE   4           HE1      PHE   4 -13.924  -4.971  -6.045
   26    HZ   PHE   4           HZ       PHE   4 -12.028  -6.480  -5.498
   27    H    CYS   5           H        CYS   5 -11.514  -1.537   0.091
   28    HA   CYS   5           HA       CYS   5  -9.196  -2.207  -1.716
   29    HB2  CYS   5           2HB      CYS   5  -7.972  -0.472  -0.594
   30    HB3  CYS   5           1HB      CYS   5  -9.546   0.218  -0.994
   31    H    LYS   6           H        LYS   6  -7.242  -2.945  -0.396
   32    HA   LYS   6           HA       LYS   6  -8.069  -5.059   1.455
   33    HB2  LYS   6           2HB      LYS   6  -6.200  -5.093  -0.324
   34    HB3  LYS   6           1HB      LYS   6  -5.266  -4.107   0.797
   35    HG2  LYS   6           2HG      LYS   6  -5.371  -5.832   2.500
   36    HG3  LYS   6           1HG      LYS   6  -6.468  -6.796   1.511
   37    HD2  LYS   6           2HD      LYS   6  -4.004  -6.074   0.093
   38    HD3  LYS   6           1HD      LYS   6  -3.700  -7.030   1.544
   39    HE2  LYS   6           2HE      LYS   6  -5.546  -8.620   0.692
   40    HE3  LYS   6           1HE      LYS   6  -5.401  -7.766  -0.854
   41    HZ1  LYS   6           3HZ      LYS   6  -2.826  -8.382   0.253
   42    HZ2  LYS   6           1HZ      LYS   6  -3.464  -8.764  -1.277
   43    HZ3  LYS   6           2HZ      LYS   6  -3.760  -9.790   0.044
   44    H    ALA   7           H        ALA   7  -7.320  -5.161   3.672
   45    HA   ALA   7           HA       ALA   7  -7.123  -2.487   4.963
   46    HB1  ALA   7           3HB      ALA   7  -8.347  -5.057   5.518
   47    HB2  ALA   7           1HB      ALA   7  -8.667  -3.494   6.270
   48    HB3  ALA   7           2HB      ALA   7  -7.372  -4.522   6.885
   49    H    ASP   8           H        ASP   8  -5.805  -2.637   7.119
   50    HA   ASP   8           HA       ASP   8  -3.037  -2.940   6.487
   51    HB2  ASP   8           2HB      ASP   8  -4.532  -2.773   9.125
   52    HB3  ASP   8           1HB      ASP   8  -2.786  -2.576   8.956
   53    H    GLU   9           H        GLU   9  -1.591  -4.360   8.041
   54    HA   GLU   9           HA       GLU   9  -0.921  -6.485   8.821
   55    HB2  GLU   9           2HB      GLU   9  -3.480  -6.236   9.670
   56    HB3  GLU   9           1HB      GLU   9  -3.680  -7.593   8.563
   57    HG2  GLU   9           2HG      GLU   9  -1.574  -8.567   9.777
   58    HG3  GLU   9           1HG      GLU   9  -1.991  -7.416  11.045
   59    H    LYS  10           H        LYS  10  -3.572  -6.975   6.480
   60    HA   LYS  10           HA       LYS  10  -2.076  -9.098   5.096
   61    HB2  LYS  10           2HB      LYS  10  -4.171  -8.910   3.547
   62    HB3  LYS  10           1HB      LYS  10  -4.395  -9.497   5.189
   63    HG2  LYS  10           2HG      LYS  10  -5.234  -7.366   5.921
   64    HG3  LYS  10           1HG      LYS  10  -4.771  -6.592   4.405
   65    HD2  LYS  10           2HD      LYS  10  -6.846  -7.058   3.647
   66    HD3  LYS  10           1HD      LYS  10  -6.380  -8.756   3.632
   67    HE2  LYS  10           2HE      LYS  10  -7.489  -7.365   6.096
   68    HE3  LYS  10           1HE      LYS  10  -8.492  -8.282   4.956
   69    HZ1  LYS  10           3HZ      LYS  10  -7.831  -9.848   6.554
   70    HZ2  LYS  10           1HZ      LYS  10  -6.243  -9.269   6.624
   71    HZ3  LYS  10           2HZ      LYS  10  -6.775 -10.126   5.258
   72    HA   HYP  11           HA       HYP  11  -0.168  -5.837   2.667
   73    HB2  HYP  11           1HB      HYP  11   1.854  -7.387   1.706
   74    HB3  HYP  11           2HB      HYP  11   1.856  -6.693   3.334
   75    HG   HYP  11           HG       HYP  11   2.072  -8.838   3.953
   76   HD22  HYP  11          1HD       HYP  11   0.133  -8.686   5.058
   77   HD23  HYP  11          2HD       HYP  11  -0.532  -9.742   3.798
   78    HD1  HYP  11           HOD      HYP  11   2.196  -9.690   1.795
   79    H    CYS  12           H        CYS  12   1.035  -6.234   0.275
   80    HA   CYS  12           HA       CYS  12  -0.670  -7.933  -1.472
   81    HB2  CYS  12           2HB      CYS  12  -1.763  -6.174  -2.523
   82    HB3  CYS  12           1HB      CYS  12  -1.585  -5.474  -0.919
   83    H    GLU  13           H        GLU  13   0.100  -7.399  -3.897
   84    HA   GLU  13           HA       GLU  13   3.016  -7.739  -3.931
   85    HB2  GLU  13           2HB      GLU  13   0.928  -8.655  -5.444
   86    HB3  GLU  13           1HB      GLU  13   1.505  -7.333  -6.456
   87    HG2  GLU  13           2HG      GLU  13   3.281  -8.542  -7.121
   88    HG3  GLU  13           1HG      GLU  13   3.757  -8.842  -5.450
   89    H    TYR  14           H        TYR  14   0.689  -5.335  -5.221
   90    HA   TYR  14           HA       TYR  14   2.875  -3.487  -5.974
   91    HB2  TYR  14           2HB      TYR  14  -0.131  -3.033  -5.963
   92    HB3  TYR  14           1HB      TYR  14   1.072  -2.192  -6.936
   93    HD1  TYR  14           HD2      TYR  14   2.719  -4.276  -8.087
   94    HD2  TYR  14           HD1      TYR  14  -1.511  -4.273  -7.338
   95    HE1  TYR  14           HE2      TYR  14   2.393  -5.951  -9.888
   96    HE2  TYR  14           HE1      TYR  14  -1.834  -5.946  -9.140
   97    HH   TYR  14           HH       TYR  14   0.162  -7.857 -10.253
   98    H    HIS  15           H        HIS  15   0.928  -1.208  -5.160
   99    HA   HIS  15           HA       HIS  15   1.417  -1.252  -2.207
  100    HB2  HIS  15           2HB      HIS  15   2.302   0.683  -4.312
  101    HB3  HIS  15           1HB      HIS  15   1.949   1.294  -2.697
  102    HD1  HIS  15           HD1      HIS  15   3.015  -1.476  -1.312
  103    HD2  HIS  15           HD2      HIS  15   5.105   0.991  -3.947
  104    HE1  HIS  15           HE1      HIS  15   5.474  -1.893  -0.889
  105    H    ALA  16           H        ALA  16  -0.828  -0.670  -4.733
  106    HA   ALA  16           HA       ALA  16  -2.440   1.242  -3.108
  107    HB1  ALA  16           3HB      ALA  16  -3.817   1.049  -5.362
  108    HB2  ALA  16           1HB      ALA  16  -2.330   0.326  -5.964
  109    HB3  ALA  16           2HB      ALA  16  -2.309   1.969  -5.319
  110    H    ASP  17           H        ASP  17  -2.193  -2.111  -3.413
  111    HA   ASP  17           HA       ASP  17  -4.848  -3.063  -3.657
  112    HB2  ASP  17           2HB      ASP  17  -2.422  -4.142  -3.245
  113    HB3  ASP  17           1HB      ASP  17  -3.033  -4.228  -1.593
  114    H    CYS  18           H        CYS  18  -3.141  -1.843  -0.778
  115    HA   CYS  18           HA       CYS  18  -5.603  -2.077   0.866
  116    HB2  CYS  18           2HB      CYS  18  -2.678  -1.584   1.293
  117    HB3  CYS  18           1HB      CYS  18  -3.791  -0.943   2.501
  118    H    CYS  19           H        CYS  19  -6.475  -0.148   1.941
  119    HA   CYS  19           HA       CYS  19  -6.848   2.123   0.261
  120    HB2  CYS  19           2HB      CYS  19  -7.390   1.360   3.077
  121    HB3  CYS  19           1HB      CYS  19  -7.467   3.085   2.705
  122    H    ASN  20           H        ASN  20  -4.016   1.380   2.018
  123    HA   ASN  20           HA       ASN  20  -3.122   4.222   1.744
  124    HB2  ASN  20           2HB      ASN  20  -2.590   2.377   4.103
  125    HB3  ASN  20           1HB      ASN  20  -2.047   4.047   3.941
  126   HD21  ASN  20          1HD2      ASN  20  -4.899   2.008   4.442
  127   HD22  ASN  20          2HD2      ASN  20  -5.925   3.266   4.920
  128    H    CYS  21           H        CYS  21  -1.650   1.165   2.908
  129    HA   CYS  21           HA       CYS  21   0.137   1.071   0.534
  130    HB2  CYS  21           2HB      CYS  21   0.891   1.925   3.297
  131    HB3  CYS  21           1HB      CYS  21   2.028   0.891   2.436
  132    H    CYS  22           H        CYS  22   0.777  -1.039   0.115
  133    HA   CYS  22           HA       CYS  22   0.298  -3.092   2.249
  134    HB2  CYS  22           2HB      CYS  22  -0.494  -4.557   0.312
  135    HB3  CYS  22           1HB      CYS  22  -1.559  -3.226   0.733
  136    H    LEU  23           H        LEU  23   2.688  -2.889   2.573
  137    HA   LEU  23           HA       LEU  23   4.492  -3.561   0.368
  138    HB2  LEU  23           2HB      LEU  23   4.622  -2.973   3.298
  139    HB3  LEU  23           1HB      LEU  23   5.979  -3.858   2.603
  140    HG   LEU  23           HG       LEU  23   4.991  -1.433   1.146
  141   HD11  LEU  23          1HD1      LEU  23   6.512  -1.448   3.754
  142   HD12  LEU  23          2HD1      LEU  23   5.130  -0.453   3.297
  143   HD13  LEU  23          3HD1      LEU  23   6.711  -0.143   2.583
  144   HD21  LEU  23          3HD2      LEU  23   7.822  -2.317   1.719
  145   HD22  LEU  23          1HD2      LEU  23   7.226  -1.355   0.365
  146   HD23  LEU  23          2HD2      LEU  23   6.869  -3.080   0.446
  147    H    SER  24           H        SER  24   5.655  -5.554   0.148
  148    HA   SER  24           HA       SER  24   4.318  -7.951   0.301
  149    HB2  SER  24           2HB      SER  24   6.758  -8.893   0.513
  150    HB3  SER  24           1HB      SER  24   6.336  -7.908  -0.884
  151    HG   SER  24           HG       SER  24   8.090  -7.422   1.147
  152    H    GLY  25           H        GLY  25   6.270  -6.546   2.910
  153    HA2  GLY  25           2HA      GLY  25   6.111  -8.786   4.674
  154    HA3  GLY  25           1HA      GLY  25   6.417  -7.124   5.179
  155    H    ILE  26           H        ILE  26   4.117  -5.787   4.611
  156    HA   ILE  26           HA       ILE  26   1.695  -7.232   5.366
  157    HB   ILE  26           HB       ILE  26   3.599  -6.288   7.373
  158   HG12  ILE  26          2HG1      ILE  26   0.975  -7.572   8.018
  159   HG13  ILE  26          1HG1      ILE  26   2.154  -8.488   7.083
  160   HG21  ILE  26          1HG2      ILE  26   2.179  -4.275   7.447
  161   HG22  ILE  26          2HG2      ILE  26   1.981  -5.245   8.907
  162   HG23  ILE  26          3HG2      ILE  26   0.750  -5.289   7.646
  163   HD11  ILE  26          3HD1      ILE  26   2.759  -7.135   9.725
  164   HD12  ILE  26          1HD1      ILE  26   3.818  -8.226   8.828
  165   HD13  ILE  26          2HD1      ILE  26   2.338  -8.839   9.564
  166    H    CYS  27           H        CYS  27  -0.160  -5.687   5.644
  167    HA   CYS  27           HA       CYS  27   0.223  -3.275   3.978
  168    HB2  CYS  27           2HB      CYS  27  -1.960  -4.993   4.890
  169    HB3  CYS  27           1HB      CYS  27  -2.372  -3.281   4.977
  170    H    ALA  28           H        ALA  28   0.093  -1.132   4.729
  171    HA   ALA  28           HA       ALA  28  -0.296  -0.719   7.674
  172    HB1  ALA  28           3HB      ALA  28   1.873  -0.116   7.897
  173    HB2  ALA  28           1HB      ALA  28   1.754   0.991   6.528
  174    HB3  ALA  28           2HB      ALA  28   2.139  -0.710   6.256
  175    HA   HYP  29           HA       HYP  29  -2.609   2.843   6.585
  176    HB2  HYP  29           1HB      HYP  29  -1.796   4.710   8.410
  177    HB3  HYP  29           2HB      HYP  29  -2.826   3.326   8.821
  178    HG   HYP  29           HG       HYP  29   0.111   3.670   9.175
  179   HD22  HYP  29          1HD       HYP  29  -1.044   0.929   9.201
  180   HD23  HYP  29          2HD       HYP  29   0.584   1.480   8.750
  181    HD1  HYP  29           HOD      HYP  29  -0.555   2.373  11.119
  182    H    SER  30           H        SER  30  -2.317   5.360   6.156
  183    HA   SER  30           HA       SER  30  -0.198   5.644   4.157
  184    HB2  SER  30           2HB      SER  30  -1.441   8.083   4.416
  185    HB3  SER  30           1HB      SER  30  -2.034   6.765   3.411
  186    HG   SER  30           HG       SER  30  -3.608   6.421   4.797
  187    H    THR  31           H        THR  31  -0.729   6.776   7.465
  188    HA   THR  31           HA       THR  31   1.391   8.777   7.333
  189    HB   THR  31           HB       THR  31  -0.665   8.874   8.788
  190    HG1  THR  31           HG1      THR  31   0.507   9.596  10.627
  191   HG21  THR  31          3HG2      THR  31  -0.223   6.307   9.420
  192   HG22  THR  31          1HG2      THR  31  -1.063   7.404  10.517
  193   HG23  THR  31          2HG2      THR  31   0.649   7.052  10.758
  194    H    ASN  32           H        ASN  32   3.467   8.102   7.171
  195    HA   ASN  32           HA       ASN  32   4.314   5.664   8.697
  196    HB2  ASN  32           2HB      ASN  32   5.403   6.848   6.121
  197    HB3  ASN  32           1HB      ASN  32   5.942   5.348   6.873
  198   HD21  ASN  32          1HD2      ASN  32   3.533   4.083   7.546
  199   HD22  ASN  32          2HD2      ASN  32   2.611   3.814   6.149
  200    H    TRP  33           H        TRP  33   6.754   5.751   9.193
  201    HA   TRP  33           HA       TRP  33   7.627   8.553   9.804
  202    HB2  TRP  33           2HB      TRP  33   8.624   7.212  11.931
  203    HB3  TRP  33           1HB      TRP  33   7.036   7.959  11.949
  204    HD1  TRP  33           HD1      TRP  33   4.994   6.197  11.112
  205    HE1  TRP  33           HE1      TRP  33   4.659   3.739  11.812
  206    HE3  TRP  33           HE3      TRP  33   9.701   5.106  12.724
  207    HZ2  TRP  33           HZ2      TRP  33   6.198   1.594  12.915
  208    HZ3  TRP  33           HZ3      TRP  33  10.246   2.859  13.595
  209    HH2  TRP  33           HH2      TRP  33   8.492   1.097  13.693
  210    H    ILE  34           H        ILE  34   8.888   5.225  10.159
  211    HA   ILE  34           HA       ILE  34  11.317   6.070   8.594
  212    HB   ILE  34           HB       ILE  34  11.335   4.104  10.887
  213   HG12  ILE  34          2HG1      ILE  34  10.364   6.411  11.526
  214   HG13  ILE  34          1HG1      ILE  34  11.734   5.825  12.466
  215   HG21  ILE  34          1HG2      ILE  34  13.332   4.082   9.550
  216   HG22  ILE  34          2HG2      ILE  34  13.713   4.963  11.029
  217   HG23  ILE  34          3HG2      ILE  34  13.413   5.845   9.532
  218   HD11  ILE  34          3HD1      ILE  34  12.044   7.643  10.065
  219   HD12  ILE  34          1HD1      ILE  34  13.268   7.224  11.264
  220   HD13  ILE  34          2HD1      ILE  34  11.906   8.247  11.715
  221    H    LEU  35           H        LEU  35   8.800   4.573   7.879
  222    HA   LEU  35           HA       LEU  35   9.999   1.920   7.140
  223    HB2  LEU  35           2HB      LEU  35   7.127   2.861   7.420
  224    HB3  LEU  35           1HB      LEU  35   7.603   1.241   6.912
  225    HG   LEU  35           HG       LEU  35   8.467   2.488   9.542
  226   HD11  LEU  35          1HD1      LEU  35   6.785   0.940  10.540
  227   HD12  LEU  35          2HD1      LEU  35   6.193   0.587   8.918
  228   HD13  LEU  35          3HD1      LEU  35   6.058   2.219   9.573
  229   HD21  LEU  35          3HD2      LEU  35   9.972   0.746   8.867
  230   HD22  LEU  35          1HD2      LEU  35   8.646  -0.289   8.341
  231   HD23  LEU  35          2HD2      LEU  35   8.890   0.027  10.058
  232    HA   PRO  36           HA       PRO  36   9.611   4.172   3.148
  233    HB2  PRO  36           2HB      PRO  36  12.011   3.345   2.113
  234    HB3  PRO  36           1HB      PRO  36  11.853   4.759   3.173
  235    HG2  PRO  36           2HG      PRO  36  12.864   2.046   3.786
  236    HG3  PRO  36           1HG      PRO  36  13.328   3.609   4.472
  237    HD2  PRO  36           2HD      PRO  36  11.661   1.737   5.680
  238    HD3  PRO  36           1HD      PRO  36  11.799   3.448   6.132
  239    H    GLY  37           H        GLY  37   9.806   3.155   0.854
  240    HA2  GLY  37           2HA      GLY  37  10.076   0.895  -0.295
  241    HA3  GLY  37           1HA      GLY  37   9.062   0.252   1.000
  242    H    CYS  38           H        CYS  38   7.079   2.135   1.209
  243    HA   CYS  38           HA       CYS  38   5.433   1.566  -1.140
  244    HB2  CYS  38           2HB      CYS  38   4.903   1.870   1.448
  245    HB3  CYS  38           1HB      CYS  38   4.721   3.560   0.992
  246    H    SER  39           H        SER  39   7.401   2.873  -2.334
  247    HA   SER  39           HA       SER  39   6.287   5.595  -2.866
  248    HB2  SER  39           2HB      SER  39   9.092   5.662  -3.272
  249    HB3  SER  39           1HB      SER  39   8.173   6.497  -2.028
  250    HG   SER  39           HG       SER  39   8.845   5.085  -0.605
  251    H    THR  40           H        THR  40   5.352   4.963  -4.858
  252    HA   THR  40           HA       THR  40   6.746   3.337  -6.829
  253    HB   THR  40           HB       THR  40   4.771   4.429  -8.231
  254    HG1  THR  40           HG1      THR  40   4.022   6.012  -7.007
  255   HG21  THR  40          3HG2      THR  40   5.055   2.164  -6.675
  256   HG22  THR  40          1HG2      THR  40   3.700   2.503  -7.751
  257   HG23  THR  40          2HG2      THR  40   3.584   2.897  -6.036
  258    H    SER  41           H        SER  41   8.286   4.051  -8.258
  259    HA   SER  41           HA       SER  41   8.996   6.897  -8.379
  260    HB2  SER  41           2HB      SER  41  10.138   4.309  -9.021
  261    HB3  SER  41           1HB      SER  41  10.360   5.422 -10.371
  262    HG   SER  41           HG       SER  41  11.752   5.332  -8.168
  263    H    SER  42           H        SER  42   7.125   4.646 -10.310
  264    HA   SER  42           HA       SER  42   7.156   6.111 -12.800
  265    HB2  SER  42           2HB      SER  42   6.538   3.741 -12.603
  266    HB3  SER  42           1HB      SER  42   5.177   4.159 -11.565
  267    HG   SER  42           HG       SER  42   4.075   4.541 -13.299
  268    H    PHE  43           H        PHE  43   5.742   7.734 -13.511
  269    HA   PHE  43           HA       PHE  43   3.797   8.804 -11.487
  270    HB2  PHE  43           2HB      PHE  43   4.329  11.024 -12.644
  271    HB3  PHE  43           1HB      PHE  43   5.637  10.322 -11.695
  272    HD1  PHE  43           HD1      PHE  43   4.315  10.695 -15.161
  273    HD2  PHE  43           HD2      PHE  43   7.697   9.696 -12.709
  274    HE1  PHE  43           HE1      PHE  43   5.764  10.664 -17.177
  275    HE2  PHE  43           HE2      PHE  43   9.150   9.659 -14.719
  276    HZ   PHE  43           HZ       PHE  43   8.184  10.140 -16.959
  277    H    PHE  44           H        PHE  44   3.901   7.181 -14.376
  278    HA   PHE  44           HA       PHE  44   1.192   8.104 -15.126
  279    HB2  PHE  44           2HB      PHE  44   3.442   9.258 -16.273
  280    HB3  PHE  44           1HB      PHE  44   3.044   7.980 -17.418
  281    HD1  PHE  44           HD1      PHE  44  -0.031   8.105 -16.599
  282    HD2  PHE  44           HD2      PHE  44   2.855  10.998 -17.921
  283    HE1  PHE  44           HE1      PHE  44  -1.857   9.501 -17.531
  284    HE2  PHE  44           HE2      PHE  44   1.030  12.395 -18.851
  285    HZ   PHE  44           HZ       PHE  44  -1.328  11.650 -18.652
  286    H    LYS  45           H        LYS  45   2.248   5.585 -14.102
  287    HA   LYS  45           HA       LYS  45   1.232   3.751 -16.161
  288    HB2  LYS  45           2HB      LYS  45   3.447   3.979 -16.997
  289    HB3  LYS  45           1HB      LYS  45   4.151   3.948 -15.384
  290    HG2  LYS  45           2HG      LYS  45   3.054   1.528 -15.298
  291    HG3  LYS  45           1HG      LYS  45   3.111   1.679 -17.054
  292    HD2  LYS  45           2HD      LYS  45   5.151   0.611 -16.299
  293    HD3  LYS  45           1HD      LYS  45   5.542   2.230 -16.883
  294    HE2  LYS  45           2HE      LYS  45   6.074   3.012 -14.772
  295    HE3  LYS  45           1HE      LYS  45   4.875   1.972 -13.974
  296    HZ1  LYS  45           3HZ      LYS  45   7.092   1.136 -13.550
  297    HZ2  LYS  45           1HZ      LYS  45   7.431   1.071 -15.208
  298    HZ3  LYS  45           2HZ      LYS  45   6.258   0.042 -14.539
  299    H    ILE  46           H        ILE  46   0.850   1.629 -15.281
  300    HA   ILE  46           HA       ILE  46   0.416   1.573 -12.380
  301    HB   ILE  46           HB       ILE  46  -0.028  -0.449 -14.603
  302   HG12  ILE  46          2HG1      ILE  46  -1.969   1.466 -13.267
  303   HG13  ILE  46          1HG1      ILE  46  -1.273   1.701 -14.870
  304   HG21  ILE  46          1HG2      ILE  46  -0.599  -1.890 -12.968
  305   HG22  ILE  46          2HG2      ILE  46  -1.869  -0.771 -12.470
  306   HG23  ILE  46          3HG2      ILE  46  -0.266  -0.667 -11.744
  307   HD11  ILE  46          3HD1      ILE  46  -2.236  -0.577 -15.483
  308   HD12  ILE  46          1HD1      ILE  46  -3.417   0.702 -15.217
  309   HD13  ILE  46          2HD1      ILE  46  -3.130  -0.506 -13.964
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1 -18.776   5.029  -2.890
    2    H2   GLY   1           2H       GLY   1 -18.647   4.844  -1.207
    3    H3   GLY   1           3H       GLY   1 -17.522   4.096  -2.235
    4    HA2  GLY   1           2HA      GLY   1 -17.821   7.016  -2.333
    5    HA3  GLY   1           1HA      GLY   1 -16.899   6.289  -1.017
    6    HA   HYP   2           HA       HYP   2 -13.491   6.371  -3.821
    7    HB2  HYP   2           1HB      HYP   2 -11.783   4.777  -2.385
    8    HB3  HYP   2           2HB      HYP   2 -12.143   6.455  -1.938
    9    HG   HYP   2           HG       HYP   2 -13.298   3.923  -0.873
   10   HD22  HYP   2          1HD       HYP   2 -14.721   6.501  -0.437
   11   HD23  HYP   2          2HD       HYP   2 -15.358   4.843  -0.499
   12    HD1  HYP   2           HOD      HYP   2 -12.739   4.814   1.040
   13    H    SER   3           H        SER   3 -12.687   3.175  -2.641
   14    HA   SER   3           HA       SER   3 -14.109   1.734  -4.771
   15    HB2  SER   3           2HB      SER   3 -11.680   0.994  -5.573
   16    HB3  SER   3           1HB      SER   3 -12.419   2.463  -6.198
   17    HG   SER   3           HG       SER   3 -10.876   3.548  -5.281
   18    H    PHE   4           H        PHE   4 -13.152  -0.658  -4.770
   19    HA   PHE   4           HA       PHE   4 -13.243  -1.628  -2.021
   20    HB2  PHE   4           2HB      PHE   4 -14.085  -2.656  -4.283
   21    HB3  PHE   4           1HB      PHE   4 -12.426  -3.234  -4.442
   22    HD1  PHE   4           HD2      PHE   4 -15.526  -3.440  -2.446
   23    HD2  PHE   4           HD1      PHE   4 -11.523  -4.922  -2.944
   24    HE1  PHE   4           HE2      PHE   4 -16.031  -5.315  -0.894
   25    HE2  PHE   4           HE1      PHE   4 -12.021  -6.798  -1.393
   26    HZ   PHE   4           HZ       PHE   4 -14.278  -6.996  -0.366
   27    H    CYS   5           H        CYS   5 -11.436  -1.499  -0.718
   28    HA   CYS   5           HA       CYS   5  -8.768  -2.067  -1.972
   29    HB2  CYS   5           2HB      CYS   5  -7.850  -0.331  -0.551
   30    HB3  CYS   5           1HB      CYS   5  -9.246   0.338  -1.393
   31    H    LYS   6           H        LYS   6  -7.169  -2.937  -0.426
   32    HA   LYS   6           HA       LYS   6  -8.340  -4.979   1.328
   33    HB2  LYS   6           2HB      LYS   6  -6.258  -4.944  -0.343
   34    HB3  LYS   6           1HB      LYS   6  -5.410  -4.383   1.093
   35    HG2  LYS   6           2HG      LYS   6  -5.153  -6.643   1.415
   36    HG3  LYS   6           1HG      LYS   6  -6.724  -6.450   2.193
   37    HD2  LYS   6           2HD      LYS   6  -7.801  -7.615   0.575
   38    HD3  LYS   6           1HD      LYS   6  -6.897  -6.828  -0.719
   39    HE2  LYS   6           2HE      LYS   6  -5.271  -8.667   0.935
   40    HE3  LYS   6           1HE      LYS   6  -6.554  -9.460   0.001
   41    HZ1  LYS   6           3HZ      LYS   6  -4.469  -9.135  -1.276
   42    HZ2  LYS   6           1HZ      LYS   6  -4.655  -7.450  -1.124
   43    HZ3  LYS   6           2HZ      LYS   6  -5.806  -8.368  -1.985
   44    H    ALA   7           H        ALA   7  -7.385  -5.229   3.574
   45    HA   ALA   7           HA       ALA   7  -7.323  -2.578   4.947
   46    HB1  ALA   7           3HB      ALA   7  -8.110  -3.804   6.857
   47    HB2  ALA   7           1HB      ALA   7  -7.653  -5.346   6.134
   48    HB3  ALA   7           2HB      ALA   7  -9.003  -4.427   5.469
   49    H    ASP   8           H        ASP   8  -5.988  -2.715   7.085
   50    HA   ASP   8           HA       ASP   8  -3.207  -2.892   6.462
   51    HB2  ASP   8           2HB      ASP   8  -4.911  -2.606   8.912
   52    HB3  ASP   8           1HB      ASP   8  -3.179  -2.861   9.108
   53    H    GLU   9           H        GLU   9  -1.694  -4.261   7.956
   54    HA   GLU   9           HA       GLU   9  -0.910  -6.349   8.721
   55    HB2  GLU   9           2HB      GLU   9  -3.388  -6.211   9.675
   56    HB3  GLU   9           1HB      GLU   9  -3.671  -7.504   8.510
   57    HG2  GLU   9           2HG      GLU   9  -2.549  -9.020   9.784
   58    HG3  GLU   9           1HG      GLU   9  -1.204  -7.908  10.041
   59    H    LYS  10           H        LYS  10  -3.532  -6.917   6.376
   60    HA   LYS  10           HA       LYS  10  -1.994  -9.046   5.042
   61    HB2  LYS  10           2HB      LYS  10  -4.090  -8.698   3.394
   62    HB3  LYS  10           1HB      LYS  10  -4.239  -9.578   4.910
   63    HG2  LYS  10           2HG      LYS  10  -5.071  -7.502   6.011
   64    HG3  LYS  10           1HG      LYS  10  -4.927  -6.646   4.477
   65    HD2  LYS  10           2HD      LYS  10  -7.231  -7.331   4.734
   66    HD3  LYS  10           1HD      LYS  10  -6.507  -8.331   3.476
   67    HE2  LYS  10           2HE      LYS  10  -7.908  -9.631   5.158
   68    HE3  LYS  10           1HE      LYS  10  -6.231 -10.194   5.036
   69    HZ1  LYS  10           3HZ      LYS  10  -6.910  -8.051   6.948
   70    HZ2  LYS  10           1HZ      LYS  10  -5.640  -9.170   7.001
   71    HZ3  LYS  10           2HZ      LYS  10  -7.221  -9.663   7.363
   72    HA   HYP  11           HA       HYP  11  -0.072  -5.744   2.663
   73    HB2  HYP  11           1HB      HYP  11   1.968  -7.271   1.695
   74    HB3  HYP  11           2HB      HYP  11   1.965  -6.592   3.329
   75    HG   HYP  11           HG       HYP  11   2.191  -8.739   3.917
   76   HD22  HYP  11          1HD       HYP  11   0.276  -8.525   5.050
   77   HD23  HYP  11          2HD       HYP  11  -0.399  -9.644   3.851
   78    HD1  HYP  11           HOD      HYP  11   2.302  -9.634   1.807
   79    H    CYS  12           H        CYS  12   1.108  -6.127   0.232
   80    HA   CYS  12           HA       CYS  12  -0.739  -7.805  -1.412
   81    HB2  CYS  12           2HB      CYS  12  -1.725  -5.993  -2.508
   82    HB3  CYS  12           1HB      CYS  12  -1.506  -5.323  -0.896
   83    H    GLU  13           H        GLU  13  -0.117  -7.173  -3.905
   84    HA   GLU  13           HA       GLU  13   2.682  -7.994  -4.224
   85    HB2  GLU  13           2HB      GLU  13   0.174  -7.919  -5.698
   86    HB3  GLU  13           1HB      GLU  13   1.490  -7.319  -6.702
   87    HG2  GLU  13           2HG      GLU  13   2.793  -9.394  -6.075
   88    HG3  GLU  13           1HG      GLU  13   1.325 -10.006  -5.306
   89    H    TYR  14           H        TYR  14   0.710  -5.128  -4.979
   90    HA   TYR  14           HA       TYR  14   3.182  -3.661  -5.792
   91    HB2  TYR  14           2HB      TYR  14   0.275  -2.949  -6.310
   92    HB3  TYR  14           1HB      TYR  14   1.696  -2.371  -7.186
   93    HD1  TYR  14           HD1      TYR  14   3.245  -4.330  -8.173
   94    HD2  TYR  14           HD2      TYR  14  -0.944  -4.704  -7.245
   95    HE1  TYR  14           HE1      TYR  14   3.091  -6.307  -9.666
   96    HE2  TYR  14           HE2      TYR  14  -1.094  -6.688  -8.748
   97    HH   TYR  14           HH       TYR  14   1.403  -8.451  -9.675
   98    H    HIS  15           H        HIS  15   0.953  -1.304  -5.341
   99    HA   HIS  15           HA       HIS  15   1.464  -1.046  -2.403
  100    HB2  HIS  15           2HB      HIS  15   2.561   0.453  -4.649
  101    HB3  HIS  15           1HB      HIS  15   1.742   1.509  -3.506
  102    HD1  HIS  15           HD1      HIS  15   2.510  -0.399  -0.979
  103    HD2  HIS  15           HD2      HIS  15   5.140   1.230  -3.776
  104    HE1  HIS  15           HE1      HIS  15   4.755  -0.188   0.178
  105    H    ALA  16           H        ALA  16  -0.903  -0.919  -4.831
  106    HA   ALA  16           HA       ALA  16  -2.503   1.118  -3.308
  107    HB1  ALA  16           3HB      ALA  16  -1.986   1.646  -5.651
  108    HB2  ALA  16           1HB      ALA  16  -3.715   1.358  -5.459
  109    HB3  ALA  16           2HB      ALA  16  -2.688   0.112  -6.167
  110    H    ASP  17           H        ASP  17  -2.190  -2.099  -3.221
  111    HA   ASP  17           HA       ASP  17  -4.845  -3.104  -3.768
  112    HB2  ASP  17           2HB      ASP  17  -2.766  -4.450  -3.655
  113    HB3  ASP  17           1HB      ASP  17  -2.636  -4.081  -1.937
  114    H    CYS  18           H        CYS  18  -3.215  -1.915  -0.836
  115    HA   CYS  18           HA       CYS  18  -5.689  -2.265   0.793
  116    HB2  CYS  18           2HB      CYS  18  -2.797  -1.614   1.253
  117    HB3  CYS  18           1HB      CYS  18  -3.958  -1.109   2.475
  118    H    CYS  19           H        CYS  19  -6.361  -0.304   2.137
  119    HA   CYS  19           HA       CYS  19  -6.696   2.043   0.408
  120    HB2  CYS  19           2HB      CYS  19  -7.747   0.949   2.929
  121    HB3  CYS  19           1HB      CYS  19  -7.614   2.708   2.934
  122    H    ASN  20           H        ASN  20  -3.898   1.327   1.423
  123    HA   ASN  20           HA       ASN  20  -3.057   4.022   2.153
  124    HB2  ASN  20           2HB      ASN  20  -1.931   2.715   4.284
  125    HB3  ASN  20           1HB      ASN  20  -3.461   3.585   4.381
  126   HD21  ASN  20          1HD2      ASN  20  -5.292   2.370   4.931
  127   HD22  ASN  20          2HD2      ASN  20  -5.341   0.676   4.962
  128    H    CYS  21           H        CYS  21  -1.117   1.370   3.337
  129    HA   CYS  21           HA       CYS  21   0.434   1.303   0.764
  130    HB2  CYS  21           2HB      CYS  21   1.452   1.622   3.611
  131    HB3  CYS  21           1HB      CYS  21   2.490   1.395   2.206
  132    H    CYS  22           H        CYS  22   0.319  -0.859   0.135
  133    HA   CYS  22           HA       CYS  22   0.256  -2.960   2.261
  134    HB2  CYS  22           2HB      CYS  22  -0.500  -4.387   0.321
  135    HB3  CYS  22           1HB      CYS  22  -1.562  -3.031   0.663
  136    H    LEU  23           H        LEU  23   2.647  -2.685   2.636
  137    HA   LEU  23           HA       LEU  23   4.507  -3.297   0.462
  138    HB2  LEU  23           2HB      LEU  23   4.612  -2.937   3.453
  139    HB3  LEU  23           1HB      LEU  23   6.026  -3.551   2.599
  140    HG   LEU  23           HG       LEU  23   4.622  -1.060   1.653
  141   HD11  LEU  23          1HD1      LEU  23   5.158  -0.653   4.007
  142   HD12  LEU  23          2HD1      LEU  23   6.287   0.233   2.983
  143   HD13  LEU  23          3HD1      LEU  23   6.795  -1.265   3.760
  144   HD21  LEU  23          3HD2      LEU  23   6.885  -0.582   0.755
  145   HD22  LEU  23          1HD2      LEU  23   6.279  -2.130   0.164
  146   HD23  LEU  23          2HD2      LEU  23   7.475  -2.085   1.459
  147    H    SER  24           H        SER  24   5.707  -5.262   0.216
  148    HA   SER  24           HA       SER  24   4.434  -7.710   0.330
  149    HB2  SER  24           2HB      SER  24   7.305  -7.864   0.978
  150    HB3  SER  24           1HB      SER  24   6.444  -8.442  -0.446
  151    HG   SER  24           HG       SER  24   7.946  -6.676  -0.832
  152    H    GLY  25           H        GLY  25   6.327  -6.234   2.942
  153    HA2  GLY  25           2HA      GLY  25   6.289  -8.470   4.718
  154    HA3  GLY  25           1HA      GLY  25   6.523  -6.788   5.214
  155    H    ILE  26           H        ILE  26   4.143  -5.582   4.590
  156    HA   ILE  26           HA       ILE  26   1.787  -7.097   5.350
  157    HB   ILE  26           HB       ILE  26   3.640  -6.158   7.399
  158   HG12  ILE  26          2HG1      ILE  26   0.989  -7.483   7.916
  159   HG13  ILE  26          1HG1      ILE  26   2.274  -8.372   7.102
  160   HG21  ILE  26          1HG2      ILE  26   1.988  -5.118   8.914
  161   HG22  ILE  26          2HG2      ILE  26   0.786  -5.147   7.623
  162   HG23  ILE  26          3HG2      ILE  26   2.228  -4.143   7.465
  163   HD11  ILE  26          3HD1      ILE  26   3.554  -7.131   9.251
  164   HD12  ILE  26          1HD1      ILE  26   3.097  -8.829   9.152
  165   HD13  ILE  26          2HD1      ILE  26   2.011  -7.668   9.915
  166    H    CYS  27           H        CYS  27  -0.118  -5.635   5.592
  167    HA   CYS  27           HA       CYS  27   0.203  -3.169   3.989
  168    HB2  CYS  27           2HB      CYS  27  -1.945  -4.982   4.827
  169    HB3  CYS  27           1HB      CYS  27  -2.420  -3.284   4.906
  170    H    ALA  28           H        ALA  28   0.375  -1.129   4.867
  171    HA   ALA  28           HA       ALA  28  -0.387  -0.748   7.747
  172    HB1  ALA  28           3HB      ALA  28   1.858  -0.751   8.131
  173    HB2  ALA  28           1HB      ALA  28   1.882   0.806   7.307
  174    HB3  ALA  28           2HB      ALA  28   2.224  -0.672   6.405
  175    HA   HYP  29           HA       HYP  29  -2.123   3.078   6.431
  176    HB2  HYP  29           1HB      HYP  29  -1.471   4.785   8.470
  177    HB3  HYP  29           2HB      HYP  29  -2.686   3.505   8.639
  178    HG   HYP  29           HG       HYP  29   0.152   3.558   9.516
  179   HD22  HYP  29          1HD       HYP  29  -1.147   0.909   9.203
  180   HD23  HYP  29          2HD       HYP  29   0.557   1.374   9.012
  181    HD1  HYP  29           HOD      HYP  29  -0.800   2.530  11.327
  182    H    SER  30           H        SER  30  -1.579   5.412   5.906
  183    HA   SER  30           HA       SER  30   1.189   5.580   4.847
  184    HB2  SER  30           2HB      SER  30  -0.456   7.829   4.177
  185    HB3  SER  30           1HB      SER  30   0.104   6.538   3.123
  186    HG   SER  30           HG       SER  30  -2.355   6.913   4.347
  187    H    THR  31           H        THR  31   0.225   6.169   7.798
  188    HA   THR  31           HA       THR  31   0.789   9.018   8.137
  189    HB   THR  31           HB       THR  31   0.852   6.919  10.307
  190    HG1  THR  31           HG1      THR  31  -1.316   6.752  10.226
  191   HG21  THR  31          3HG2      THR  31  -0.145   8.686  11.628
  192   HG22  THR  31          1HG2      THR  31  -0.367   9.694  10.198
  193   HG23  THR  31          2HG2      THR  31   1.260   9.348  10.791
  194    H    ASN  32           H        ASN  32   2.941   8.810   6.931
  195    HA   ASN  32           HA       ASN  32   5.099   7.993   8.860
  196    HB2  ASN  32           2HB      ASN  32   4.702   7.511   5.917
  197    HB3  ASN  32           1HB      ASN  32   6.341   7.626   6.555
  198   HD21  ASN  32          1HD2      ASN  32   3.280   5.811   6.944
  199   HD22  ASN  32          2HD2      ASN  32   3.991   4.441   7.634
  200    H    TRP  33           H        TRP  33   7.214   9.157   8.258
  201    HA   TRP  33           HA       TRP  33   6.698  11.916   7.228
  202    HB2  TRP  33           2HB      TRP  33   8.446  12.472   9.199
  203    HB3  TRP  33           1HB      TRP  33   6.713  12.427   9.490
  204    HD1  TRP  33           HD1      TRP  33   5.870   9.709  10.151
  205    HE1  TRP  33           HE1      TRP  33   6.969   8.187  11.919
  206    HE3  TRP  33           HE3      TRP  33  10.424  11.991  10.581
  207    HZ2  TRP  33           HZ2      TRP  33   9.426   7.993  13.363
  208    HZ3  TRP  33           HZ3      TRP  33  12.118  11.127  12.168
  209    HH2  TRP  33           HH2      TRP  33  11.623   9.128  13.560
  210    H    ILE  34           H        ILE  34   9.453   9.962   8.457
  211    HA   ILE  34           HA       ILE  34  10.987  10.769   6.009
  212    HB   ILE  34           HB       ILE  34  12.963  10.343   7.381
  213   HG12  ILE  34          2HG1      ILE  34  11.080   9.594   9.636
  214   HG13  ILE  34          1HG1      ILE  34  11.921   8.406   8.641
  215   HG21  ILE  34          1HG2      ILE  34  12.232  12.552   7.712
  216   HG22  ILE  34          2HG2      ILE  34  12.385  11.933   9.357
  217   HG23  ILE  34          3HG2      ILE  34  10.797  12.044   8.600
  218   HD11  ILE  34          3HD1      ILE  34  13.037   9.123  10.866
  219   HD12  ILE  34          1HD1      ILE  34  13.434  10.617  10.017
  220   HD13  ILE  34          2HD1      ILE  34  14.040   9.074   9.416
  221    H    LEU  35           H        LEU  35   9.017   8.397   6.762
  222    HA   LEU  35           HA       LEU  35  10.795   6.144   5.904
  223    HB2  LEU  35           2HB      LEU  35   8.092   6.061   7.286
  224    HB3  LEU  35           1HB      LEU  35   9.231   4.730   7.105
  225    HG   LEU  35           HG       LEU  35  10.653   6.840   8.357
  226   HD11  LEU  35          1HD1      LEU  35   8.956   7.998   9.356
  227   HD12  LEU  35          2HD1      LEU  35   8.921   6.629  10.464
  228   HD13  LEU  35          3HD1      LEU  35   7.793   6.693   9.108
  229   HD21  LEU  35          3HD2      LEU  35  10.905   4.343   8.640
  230   HD22  LEU  35          1HD2      LEU  35   9.429   4.356   9.606
  231   HD23  LEU  35          2HD2      LEU  35  10.857   5.221  10.169
  232    HA   PRO  36           HA       PRO  36   8.373   6.262   2.159
  233    HB2  PRO  36           2HB      PRO  36   9.207   3.886   1.092
  234    HB3  PRO  36           1HB      PRO  36  10.200   5.359   1.081
  235    HG2  PRO  36           2HG      PRO  36  10.341   2.996   2.890
  236    HG3  PRO  36           1HG      PRO  36  11.651   3.962   2.191
  237    HD2  PRO  36           2HD      PRO  36  10.779   4.217   4.766
  238    HD3  PRO  36           1HD      PRO  36  11.537   5.541   3.849
  239    H    GLY  37           H        GLY  37   6.218   5.719   1.994
  240    HA2  GLY  37           2HA      GLY  37   5.286   3.280   3.440
  241    HA3  GLY  37           1HA      GLY  37   4.265   4.659   3.036
  242    H    CYS  38           H        CYS  38   4.167   5.050   0.508
  243    HA   CYS  38           HA       CYS  38   4.533   2.733  -1.210
  244    HB2  CYS  38           2HB      CYS  38   2.083   2.220  -1.406
  245    HB3  CYS  38           1HB      CYS  38   2.741   1.869   0.189
  246    H    SER  39           H        SER  39   5.379   5.121  -1.952
  247    HA   SER  39           HA       SER  39   3.262   6.659  -3.347
  248    HB2  SER  39           2HB      SER  39   6.031   7.018  -2.430
  249    HB3  SER  39           1HB      SER  39   5.758   7.690  -4.033
  250    HG   SER  39           HG       SER  39   4.683   9.235  -3.122
  251    H    THR  40           H        THR  40   3.331   4.113  -4.426
  252    HA   THR  40           HA       THR  40   4.708   4.528  -7.060
  253    HB   THR  40           HB       THR  40   4.149   1.817  -5.874
  254    HG1  THR  40           HG1      THR  40   6.672   2.805  -5.438
  255   HG21  THR  40          3HG2      THR  40   6.219   1.271  -7.169
  256   HG22  THR  40          1HG2      THR  40   6.251   2.940  -7.746
  257   HG23  THR  40          2HG2      THR  40   4.908   1.879  -8.176
  258    H    SER  41           H        SER  41   3.474   3.972  -8.892
  259    HA   SER  41           HA       SER  41   0.573   3.918  -8.543
  260    HB2  SER  41           2HB      SER  41   0.942   3.590 -11.182
  261    HB3  SER  41           1HB      SER  41   1.192   5.151 -10.402
  262    HG   SER  41           HG       SER  41   3.126   4.954 -11.249
  263    H    SER  42           H        SER  42  -0.480   2.215 -10.331
  264    HA   SER  42           HA       SER  42   0.168  -0.451  -9.222
  265    HB2  SER  42           2HB      SER  42  -2.161   0.480  -9.394
  266    HB3  SER  42           1HB      SER  42  -2.005   0.463 -11.147
  267    HG   SER  42           HG       SER  42  -1.957  -1.734  -9.344
  268    H    PHE  43           H        PHE  43  -0.664   0.552 -12.574
  269    HA   PHE  43           HA       PHE  43   1.656  -1.096 -13.537
  270    HB2  PHE  43           2HB      PHE  43  -0.814  -1.999 -13.671
  271    HB3  PHE  43           1HB      PHE  43  -0.962  -0.867 -15.016
  272    HD1  PHE  43           HD2      PHE  43   1.504  -3.407 -13.736
  273    HD2  PHE  43           HD1      PHE  43  -0.489  -1.691 -17.132
  274    HE1  PHE  43           HE2      PHE  43   2.648  -5.027 -15.226
  275    HE2  PHE  43           HE1      PHE  43   0.651  -3.310 -18.618
  276    HZ   PHE  43           HZ       PHE  43   2.219  -4.980 -17.668
  277    H    PHE  44           H        PHE  44   1.961   1.642 -13.179
  278    HA   PHE  44           HA       PHE  44   1.663   2.762 -15.952
  279    HB2  PHE  44           2HB      PHE  44   1.845   4.172 -13.266
  280    HB3  PHE  44           1HB      PHE  44   1.587   4.956 -14.823
  281    HD1  PHE  44           HD1      PHE  44  -0.289   2.806 -15.986
  282    HD2  PHE  44           HD2      PHE  44  -0.203   4.844 -12.204
  283    HE1  PHE  44           HE1      PHE  44  -2.733   2.465 -15.745
  284    HE2  PHE  44           HE2      PHE  44  -2.649   4.498 -11.962
  285    HZ   PHE  44           HZ       PHE  44  -3.914   3.309 -13.734
  286    H    LYS  45           H        LYS  45   3.821   1.375 -16.062
  287    HA   LYS  45           HA       LYS  45   6.172   2.719 -14.885
  288    HB2  LYS  45           2HB      LYS  45   5.672   0.154 -15.318
  289    HB3  LYS  45           1HB      LYS  45   6.236   0.518 -16.949
  290    HG2  LYS  45           2HG      LYS  45   8.297   0.074 -16.081
  291    HG3  LYS  45           1HG      LYS  45   8.189   1.718 -15.458
  292    HD2  LYS  45           2HD      LYS  45   6.849  -0.283 -13.757
  293    HD3  LYS  45           1HD      LYS  45   8.589  -0.527 -13.906
  294    HE2  LYS  45           2HE      LYS  45   7.845   2.297 -13.493
  295    HE3  LYS  45           1HE      LYS  45   7.408   1.238 -12.138
  296    HZ1  LYS  45           3HZ      LYS  45  10.075   1.236 -13.470
  297    HZ2  LYS  45           1HZ      LYS  45   9.629   0.349 -12.096
  298    HZ3  LYS  45           2HZ      LYS  45   9.737   2.039 -12.014
  299    H    ILE  46           H        ILE  46   8.020   3.179 -16.518
  300    HA   ILE  46           HA       ILE  46   6.971   4.957 -18.621
  301    HB   ILE  46           HB       ILE  46   9.744   4.315 -17.558
  302   HG12  ILE  46          2HG1      ILE  46   8.201   6.875 -17.159
  303   HG13  ILE  46          1HG1      ILE  46   7.913   5.494 -16.104
  304   HG21  ILE  46          1HG2      ILE  46  10.627   6.020 -18.881
  305   HG22  ILE  46          2HG2      ILE  46   9.061   6.796 -19.111
  306   HG23  ILE  46          3HG2      ILE  46   9.443   5.311 -19.982
  307   HD11  ILE  46          3HD1      ILE  46   9.596   6.637 -14.953
  308   HD12  ILE  46          1HD1      ILE  46  10.410   7.134 -16.436
  309   HD13  ILE  46          2HD1      ILE  46  10.530   5.464 -15.882
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1 -12.659  -6.936  -7.792
    2    H2   GLY   1           2H       GLY   1 -11.625  -7.960  -6.923
    3    H3   GLY   1           3H       GLY   1 -11.549  -6.280  -6.691
    4    HA2  GLY   1           2HA      GLY   1 -13.772  -8.096  -5.929
    5    HA3  GLY   1           1HA      GLY   1 -12.691  -7.222  -4.839
    6    HA   HYP   2           HA       HYP   2 -16.454  -4.601  -5.601
    7    HB2  HYP   2           1HB      HYP   2 -16.886  -4.015  -2.970
    8    HB3  HYP   2           2HB      HYP   2 -17.548  -5.464  -3.749
    9    HG   HYP   2           HG       HYP   2 -15.110  -5.180  -2.054
   10   HD22  HYP   2          1HD       HYP   2 -15.481  -7.548  -3.815
   11   HD23  HYP   2          2HD       HYP   2 -13.987  -6.819  -3.193
   12    HD1  HYP   2           HOD      HYP   2 -15.997  -6.972  -1.052
   13    H    SER   3           H        SER   3 -16.681  -2.217  -4.645
   14    HA   SER   3           HA       SER   3 -14.136  -0.854  -5.027
   15    HB2  SER   3           2HB      SER   3 -16.857   0.093  -4.074
   16    HB3  SER   3           1HB      SER   3 -15.545   1.154  -4.586
   17    HG   SER   3           HG       SER   3 -15.774   0.470  -6.635
   18    H    PHE   4           H        PHE   4 -13.524  -2.472  -2.967
   19    HA   PHE   4           HA       PHE   4 -13.393  -0.628  -0.610
   20    HB2  PHE   4           2HB      PHE   4 -14.137  -3.565  -0.723
   21    HB3  PHE   4           1HB      PHE   4 -13.673  -2.759   0.775
   22    HD1  PHE   4           HD2      PHE   4 -14.919  -0.357   1.082
   23    HD2  PHE   4           HD1      PHE   4 -16.412  -3.725  -1.132
   24    HE1  PHE   4           HE2      PHE   4 -17.230   0.502   1.331
   25    HE2  PHE   4           HE1      PHE   4 -18.721  -2.865  -0.887
   26    HZ   PHE   4           HZ       PHE   4 -19.131  -0.747   0.338
   27    H    CYS   5           H        CYS   5 -11.229  -0.196  -0.410
   28    HA   CYS   5           HA       CYS   5  -9.124  -1.780  -1.526
   29    HB2  CYS   5           2HB      CYS   5  -7.760  -0.263   0.085
   30    HB3  CYS   5           1HB      CYS   5  -8.729   0.524  -1.155
   31    H    LYS   6           H        LYS   6  -7.433  -2.958  -0.300
   32    HA   LYS   6           HA       LYS   6  -8.517  -4.813   1.644
   33    HB2  LYS   6           2HB      LYS   6  -6.586  -4.981  -0.155
   34    HB3  LYS   6           1HB      LYS   6  -5.584  -4.356   1.150
   35    HG2  LYS   6           2HG      LYS   6  -5.390  -6.504   1.828
   36    HG3  LYS   6           1HG      LYS   6  -7.051  -6.346   2.402
   37    HD2  LYS   6           2HD      LYS   6  -7.873  -7.669   0.755
   38    HD3  LYS   6           1HD      LYS   6  -6.864  -6.906  -0.478
   39    HE2  LYS   6           2HE      LYS   6  -5.256  -8.485   1.390
   40    HE3  LYS   6           1HE      LYS   6  -6.489  -9.472   0.573
   41    HZ1  LYS   6           3HZ      LYS   6  -4.346  -9.151  -0.693
   42    HZ2  LYS   6           1HZ      LYS   6  -4.765  -7.511  -0.868
   43    HZ3  LYS   6           2HZ      LYS   6  -5.757  -8.726  -1.540
   44    H    ALA   7           H        ALA   7  -7.492  -5.113   3.824
   45    HA   ALA   7           HA       ALA   7  -7.253  -2.484   5.191
   46    HB1  ALA   7           3HB      ALA   7  -7.558  -3.920   7.210
   47    HB2  ALA   7           1HB      ALA   7  -7.532  -5.345   6.173
   48    HB3  ALA   7           2HB      ALA   7  -8.836  -4.167   6.019
   49    H    ASP   8           H        ASP   8  -5.665  -2.680   7.191
   50    HA   ASP   8           HA       ASP   8  -2.990  -2.887   6.112
   51    HB2  ASP   8           2HB      ASP   8  -4.056  -2.587   8.940
   52    HB3  ASP   8           1HB      ASP   8  -2.377  -2.326   8.471
   53    H    GLU   9           H        GLU   9  -1.404  -4.183   7.862
   54    HA   GLU   9           HA       GLU   9  -0.651  -6.291   8.631
   55    HB2  GLU   9           2HB      GLU   9  -3.436  -7.407   8.413
   56    HB3  GLU   9           1HB      GLU   9  -2.207  -7.717   9.632
   57    HG2  GLU   9           2HG      GLU   9  -2.571  -5.185  10.241
   58    HG3  GLU   9           1HG      GLU   9  -4.105  -5.410   9.396
   59    H    LYS  10           H        LYS  10  -3.315  -6.815   6.324
   60    HA   LYS  10           HA       LYS  10  -1.924  -9.042   5.004
   61    HB2  LYS  10           2HB      LYS  10  -4.023  -8.845   3.501
   62    HB3  LYS  10           1HB      LYS  10  -4.295  -9.194   5.203
   63    HG2  LYS  10           2HG      LYS  10  -4.216  -6.332   4.721
   64    HG3  LYS  10           1HG      LYS  10  -5.435  -7.117   3.722
   65    HD2  LYS  10           2HD      LYS  10  -5.263  -7.930   6.597
   66    HD3  LYS  10           1HD      LYS  10  -5.976  -6.361   6.231
   67    HE2  LYS  10           2HE      LYS  10  -7.902  -7.604   5.985
   68    HE3  LYS  10           1HE      LYS  10  -7.238  -7.930   4.372
   69    HZ1  LYS  10           3HZ      LYS  10  -6.149  -9.886   5.196
   70    HZ2  LYS  10           1HZ      LYS  10  -7.785  -9.979   5.620
   71    HZ3  LYS  10           2HZ      LYS  10  -6.629  -9.557   6.793
   72    HA   HYP  11           HA       HYP  11   0.216  -5.936   2.485
   73    HB2  HYP  11           1HB      HYP  11   2.132  -7.645   1.571
   74    HB3  HYP  11           2HB      HYP  11   2.194  -6.897   3.176
   75    HG   HYP  11           HG       HYP  11   2.298  -9.057   3.810
   76   HD22  HYP  11          1HD       HYP  11   0.487  -8.498   5.020
   77   HD23  HYP  11          2HD       HYP  11  -0.333  -9.698   4.005
   78    HD1  HYP  11           HOD      HYP  11   0.543  -9.792   1.667
   79    H    CYS  12           H        CYS  12   1.209  -6.291   0.074
   80    HA   CYS  12           HA       CYS  12  -0.560  -8.065  -1.548
   81    HB2  CYS  12           2HB      CYS  12  -1.640  -6.317  -2.625
   82    HB3  CYS  12           1HB      CYS  12  -1.405  -5.579  -1.044
   83    H    GLU  13           H        GLU  13   0.089  -7.236  -4.068
   84    HA   GLU  13           HA       GLU  13   2.936  -7.965  -4.317
   85    HB2  GLU  13           2HB      GLU  13   0.731  -7.315  -6.310
   86    HB3  GLU  13           1HB      GLU  13   2.326  -7.920  -6.750
   87    HG2  GLU  13           2HG      GLU  13   1.948 -10.014  -5.699
   88    HG3  GLU  13           1HG      GLU  13   0.556  -9.407  -4.803
   89    H    TYR  14           H        TYR  14   0.885  -5.233  -5.408
   90    HA   TYR  14           HA       TYR  14   3.309  -3.597  -5.939
   91    HB2  TYR  14           2HB      TYR  14   0.347  -3.026  -6.348
   92    HB3  TYR  14           1HB      TYR  14   1.689  -2.109  -7.030
   93    HD1  TYR  14           HD2      TYR  14   3.411  -3.532  -8.457
   94    HD2  TYR  14           HD1      TYR  14  -0.623  -4.705  -7.587
   95    HE1  TYR  14           HE2      TYR  14   3.456  -5.077 -10.387
   96    HE2  TYR  14           HE1      TYR  14  -0.580  -6.262  -9.534
   97    HH   TYR  14           HH       TYR  14   1.203  -7.501 -10.875
   98    H    HIS  15           H        HIS  15   1.080  -1.333  -5.246
   99    HA   HIS  15           HA       HIS  15   1.487  -1.373  -2.295
  100    HB2  HIS  15           2HB      HIS  15   2.875   0.231  -4.266
  101    HB3  HIS  15           1HB      HIS  15   1.951   1.274  -3.184
  102    HD1  HIS  15           HD1      HIS  15   4.286   2.040  -2.157
  103    HD2  HIS  15           HD2      HIS  15   3.310  -1.963  -1.523
  104    HE1  HIS  15           HE1      HIS  15   5.811   1.214  -0.316
  105    H    ALA  16           H        ALA  16  -0.819  -1.275  -4.593
  106    HA   ALA  16           HA       ALA  16  -2.396   0.882  -3.209
  107    HB1  ALA  16           3HB      ALA  16  -1.690   0.637  -5.862
  108    HB2  ALA  16           1HB      ALA  16  -3.068   1.570  -5.275
  109    HB3  ALA  16           2HB      ALA  16  -3.299  -0.083  -5.841
  110    H    ASP  17           H        ASP  17  -2.108  -2.358  -3.080
  111    HA   ASP  17           HA       ASP  17  -4.758  -3.368  -3.567
  112    HB2  ASP  17           2HB      ASP  17  -2.590  -4.629  -3.341
  113    HB3  ASP  17           1HB      ASP  17  -2.639  -4.300  -1.610
  114    H    CYS  18           H        CYS  18  -3.172  -2.092  -0.630
  115    HA   CYS  18           HA       CYS  18  -5.684  -2.427   0.931
  116    HB2  CYS  18           2HB      CYS  18  -2.840  -1.617   1.558
  117    HB3  CYS  18           1HB      CYS  18  -4.125  -1.533   2.762
  118    H    CYS  19           H        CYS  19  -6.341  -0.511   2.323
  119    HA   CYS  19           HA       CYS  19  -6.998   1.774   0.742
  120    HB2  CYS  19           2HB      CYS  19  -6.832   1.541   3.756
  121    HB3  CYS  19           1HB      CYS  19  -7.856   2.648   2.844
  122    H    ASN  20           H        ASN  20  -3.936   1.037   2.032
  123    HA   ASN  20           HA       ASN  20  -3.115   3.881   1.743
  124    HB2  ASN  20           2HB      ASN  20  -2.231   2.129   4.054
  125    HB3  ASN  20           1HB      ASN  20  -2.017   3.868   3.881
  126   HD21  ASN  20          1HD2      ASN  20  -4.253   1.362   4.880
  127   HD22  ASN  20          2HD2      ASN  20  -5.510   2.397   5.355
  128    H    CYS  21           H        CYS  21  -1.269   1.070   2.975
  129    HA   CYS  21           HA       CYS  21   0.218   0.945   0.386
  130    HB2  CYS  21           2HB      CYS  21   1.247   1.579   3.152
  131    HB3  CYS  21           1HB      CYS  21   2.309   0.878   1.932
  132    H    CYS  22           H        CYS  22   0.973  -1.165  -0.076
  133    HA   CYS  22           HA       CYS  22   0.542  -3.228   2.061
  134    HB2  CYS  22           2HB      CYS  22  -0.229  -4.695   0.126
  135    HB3  CYS  22           1HB      CYS  22  -1.304  -3.366   0.531
  136    H    LEU  23           H        LEU  23   2.932  -2.975   2.389
  137    HA   LEU  23           HA       LEU  23   4.751  -3.638   0.185
  138    HB2  LEU  23           2HB      LEU  23   5.303  -3.691   3.170
  139    HB3  LEU  23           1HB      LEU  23   6.452  -3.398   1.867
  140    HG   LEU  23           HG       LEU  23   4.451  -1.454   1.515
  141   HD11  LEU  23          1HD1      LEU  23   5.376  -1.187   4.340
  142   HD12  LEU  23          2HD1      LEU  23   4.038  -2.290   4.021
  143   HD13  LEU  23          3HD1      LEU  23   3.900  -0.588   3.581
  144   HD21  LEU  23          3HD2      LEU  23   7.184  -1.310   2.826
  145   HD22  LEU  23          1HD2      LEU  23   6.274   0.087   2.252
  146   HD23  LEU  23          2HD2      LEU  23   6.840  -1.128   1.105
  147    H    SER  24           H        SER  24   6.033  -5.587   0.096
  148    HA   SER  24           HA       SER  24   4.717  -8.039   0.273
  149    HB2  SER  24           2HB      SER  24   7.520  -8.397   0.862
  150    HB3  SER  24           1HB      SER  24   6.676  -8.675  -0.657
  151    HG   SER  24           HG       SER  24   7.616  -6.933  -1.370
  152    H    GLY  25           H        GLY  25   6.544  -6.411   2.818
  153    HA2  GLY  25           2HA      GLY  25   6.557  -8.591   4.674
  154    HA3  GLY  25           1HA      GLY  25   6.755  -6.891   5.105
  155    H    ILE  26           H        ILE  26   4.400  -5.724   4.468
  156    HA   ILE  26           HA       ILE  26   2.027  -7.238   5.168
  157    HB   ILE  26           HB       ILE  26   3.796  -6.159   7.268
  158   HG12  ILE  26          2HG1      ILE  26   1.553  -8.159   7.052
  159   HG13  ILE  26          1HG1      ILE  26   3.238  -8.432   7.469
  160   HG21  ILE  26          1HG2      ILE  26   2.115  -4.341   7.280
  161   HG22  ILE  26          2HG2      ILE  26   2.007  -5.327   8.737
  162   HG23  ILE  26          3HG2      ILE  26   0.829  -5.539   7.444
  163   HD11  ILE  26          3HD1      ILE  26   2.205  -8.614   9.555
  164   HD12  ILE  26          1HD1      ILE  26   1.022  -7.358   9.190
  165   HD13  ILE  26          2HD1      ILE  26   2.690  -6.919   9.547
  166    H    CYS  27           H        CYS  27   0.125  -5.716   5.440
  167    HA   CYS  27           HA       CYS  27   0.486  -3.284   3.795
  168    HB2  CYS  27           2HB      CYS  27  -1.696  -5.022   4.708
  169    HB3  CYS  27           1HB      CYS  27  -2.118  -3.310   4.752
  170    H    ALA  28           H        ALA  28   0.498  -1.180   4.591
  171    HA   ALA  28           HA       ALA  28   0.153  -0.840   7.555
  172    HB1  ALA  28           3HB      ALA  28   1.964   1.062   6.304
  173    HB2  ALA  28           1HB      ALA  28   2.457  -0.596   5.951
  174    HB3  ALA  28           2HB      ALA  28   2.276  -0.067   7.622
  175    HA   HYP  29           HA       HYP  29  -2.641   2.462   6.753
  176    HB2  HYP  29           1HB      HYP  29  -1.933   4.269   8.686
  177    HB3  HYP  29           2HB      HYP  29  -2.790   2.757   9.047
  178    HG   HYP  29           HG       HYP  29   0.130   3.353   9.196
  179   HD22  HYP  29          1HD       HYP  29  -0.924   0.557   9.188
  180   HD23  HYP  29          2HD       HYP  29   0.693   1.168   8.766
  181    HD1  HYP  29           HOD      HYP  29  -0.146   2.782  11.255
  182    H    SER  30           H        SER  30  -2.711   4.834   6.141
  183    HA   SER  30           HA       SER  30  -0.398   5.553   4.472
  184    HB2  SER  30           2HB      SER  30  -3.240   6.201   4.742
  185    HB3  SER  30           1HB      SER  30  -2.251   7.614   4.375
  186    HG   SER  30           HG       SER  30  -3.063   6.111   2.588
  187    H    THR  31           H        THR  31  -1.194   6.113   7.731
  188    HA   THR  31           HA       THR  31  -0.218   8.867   7.890
  189    HB   THR  31           HB       THR  31  -0.527   6.769  10.062
  190    HG1  THR  31           HG1      THR  31  -2.612   7.098   9.975
  191   HG21  THR  31          3HG2      THR  31  -0.896   9.761  10.300
  192   HG22  THR  31          1HG2      THR  31   0.694   9.013  10.481
  193   HG23  THR  31          2HG2      THR  31  -0.619   8.583  11.582
  194    H    ASN  32           H        ASN  32   1.790   8.247   6.606
  195    HA   ASN  32           HA       ASN  32   3.977   7.518   8.497
  196    HB2  ASN  32           2HB      ASN  32   2.905   5.974   6.261
  197    HB3  ASN  32           1HB      ASN  32   4.624   6.318   6.041
  198   HD21  ASN  32          1HD2      ASN  32   2.537   4.106   7.490
  199   HD22  ASN  32          2HD2      ASN  32   3.591   3.491   8.667
  200    H    TRP  33           H        TRP  33   6.155   7.973   7.310
  201    HA   TRP  33           HA       TRP  33   5.833  10.305   5.468
  202    HB2  TRP  33           2HB      TRP  33   7.960  11.121   6.880
  203    HB3  TRP  33           1HB      TRP  33   6.318  11.493   7.375
  204    HD1  TRP  33           HD1      TRP  33   5.240   9.503   9.125
  205    HE1  TRP  33           HE1      TRP  33   6.428   8.446  11.157
  206    HE3  TRP  33           HE3      TRP  33  10.099  10.530   7.965
  207    HZ2  TRP  33           HZ2      TRP  33   9.076   8.080  12.160
  208    HZ3  TRP  33           HZ3      TRP  33  11.928   9.820   9.474
  209    HH2  TRP  33           HH2      TRP  33  11.427   8.600  11.571
  210    H    ILE  34           H        ILE  34   8.464   8.334   6.936
  211    HA   ILE  34           HA       ILE  34   9.578   7.979   4.163
  212    HB   ILE  34           HB       ILE  34  11.142   8.286   6.744
  213   HG12  ILE  34          2HG1      ILE  34   9.748  10.323   6.101
  214   HG13  ILE  34          1HG1      ILE  34  11.486  10.600   6.195
  215   HG21  ILE  34          1HG2      ILE  34  12.402   7.168   5.011
  216   HG22  ILE  34          2HG2      ILE  34  12.984   8.830   5.109
  217   HG23  ILE  34          3HG2      ILE  34  11.890   8.352   3.811
  218   HD11  ILE  34          3HD1      ILE  34  11.692  10.390   3.770
  219   HD12  ILE  34          1HD1      ILE  34  10.470  11.603   4.147
  220   HD13  ILE  34          2HD1      ILE  34   9.980   9.990   3.631
  221    H    LEU  35           H        LEU  35   8.317   6.341   6.831
  222    HA   LEU  35           HA       LEU  35  10.085   4.083   7.038
  223    HB2  LEU  35           2HB      LEU  35   7.312   4.821   7.821
  224    HB3  LEU  35           1HB      LEU  35   7.667   3.095   7.774
  225    HG   LEU  35           HG       LEU  35   9.707   3.581   9.204
  226   HD11  LEU  35          1HD1      LEU  35   9.608   5.754  10.468
  227   HD12  LEU  35          2HD1      LEU  35   8.334   6.285   9.372
  228   HD13  LEU  35          3HD1      LEU  35   9.953   5.964   8.752
  229   HD21  LEU  35          3HD2      LEU  35   7.853   2.644  10.344
  230   HD22  LEU  35          1HD2      LEU  35   6.887   4.110  10.155
  231   HD23  LEU  35          2HD2      LEU  35   8.247   4.086  11.279
  232    HA   PRO  36           HA       PRO  36   7.478   1.660   3.976
  233    HB2  PRO  36           2HB      PRO  36   5.057   2.582   3.096
  234    HB3  PRO  36           1HB      PRO  36   5.246   1.666   4.604
  235    HG2  PRO  36           2HG      PRO  36   4.859   4.572   4.196
  236    HG3  PRO  36           1HG      PRO  36   4.307   3.530   5.514
  237    HD2  PRO  36           2HD      PRO  36   6.478   5.248   5.631
  238    HD3  PRO  36           1HD      PRO  36   6.189   3.879   6.722
  239    H    GLY  37           H        GLY  37   8.011   1.646   1.767
  240    HA2  GLY  37           2HA      GLY  37   8.883   4.128   0.531
  241    HA3  GLY  37           1HA      GLY  37   8.860   2.545  -0.245
  242    H    CYS  38           H        CYS  38   6.550   5.012   0.933
  243    HA   CYS  38           HA       CYS  38   4.809   4.408  -1.445
  244    HB2  CYS  38           2HB      CYS  38   4.229   5.347   1.383
  245    HB3  CYS  38           1HB      CYS  38   3.015   5.371   0.105
  246    H    SER  39           H        SER  39   6.296   6.010  -2.578
  247    HA   SER  39           HA       SER  39   6.207   8.816  -1.731
  248    HB2  SER  39           2HB      SER  39   7.243   8.842  -4.231
  249    HB3  SER  39           1HB      SER  39   8.181   8.389  -2.813
  250    HG   SER  39           HG       SER  39   8.414   6.782  -4.342
  251    H    THR  40           H        THR  40   3.733   7.054  -2.932
  252    HA   THR  40           HA       THR  40   2.889   8.996  -5.021
  253    HB   THR  40           HB       THR  40   2.791   6.448  -5.235
  254    HG1  THR  40           HG1      THR  40   1.561   7.830  -6.554
  255   HG21  THR  40          3HG2      THR  40   0.405   6.780  -3.394
  256   HG22  THR  40          1HG2      THR  40   1.939   6.054  -2.912
  257   HG23  THR  40          2HG2      THR  40   0.951   5.286  -4.153
  258    H    SER  41           H        SER  41   2.103   8.012  -1.708
  259    HA   SER  41           HA       SER  41  -0.441   9.419  -1.558
  260    HB2  SER  41           2HB      SER  41   1.512   8.145   0.351
  261    HB3  SER  41           1HB      SER  41   0.170   9.098   0.980
  262    HG   SER  41           HG       SER  41  -0.795   7.201   0.769
  263    H    SER  42           H        SER  42   0.691  11.451  -2.625
  264    HA   SER  42           HA       SER  42   2.376  13.087  -0.878
  265    HB2  SER  42           2HB      SER  42   0.776  13.903  -3.323
  266    HB3  SER  42           1HB      SER  42   2.249  14.649  -2.710
  267    HG   SER  42           HG       SER  42   1.987  12.623  -4.430
  268    H    PHE  43           H        PHE  43   0.514  12.672   0.882
  269    HA   PHE  43           HA       PHE  43  -1.855  14.360   0.675
  270    HB2  PHE  43           2HB      PHE  43  -1.423  12.186   2.034
  271    HB3  PHE  43           1HB      PHE  43  -0.650  13.253   3.205
  272    HD1  PHE  43           HD2      PHE  43  -3.829  12.780   1.285
  273    HD2  PHE  43           HD1      PHE  43  -1.948  14.443   4.772
  274    HE1  PHE  43           HE2      PHE  43  -6.055  13.386   2.199
  275    HE2  PHE  43           HE1      PHE  43  -4.172  15.047   5.685
  276    HZ   PHE  43           HZ       PHE  43  -6.226  14.518   4.400
  277    H    PHE  44           H        PHE  44   1.214  14.571   2.447
  278    HA   PHE  44           HA       PHE  44   0.656  17.482   2.928
  279    HB2  PHE  44           2HB      PHE  44   1.023  15.492   4.765
  280    HB3  PHE  44           1HB      PHE  44   2.683  16.049   4.557
  281    HD1  PHE  44           HD2      PHE  44   2.855  18.764   4.386
  282    HD2  PHE  44           HD1      PHE  44  -0.205  16.547   6.438
  283    HE1  PHE  44           HE2      PHE  44   2.366  20.741   5.799
  284    HE2  PHE  44           HE1      PHE  44  -0.690  18.525   7.851
  285    HZ   PHE  44           HZ       PHE  44   0.594  20.625   7.531
  286    H    LYS  45           H        LYS  45   2.104  18.874   1.984
  287    HA   LYS  45           HA       LYS  45   4.506  17.723   0.642
  288    HB2  LYS  45           2HB      LYS  45   2.525  19.366  -0.243
  289    HB3  LYS  45           1HB      LYS  45   3.698  20.569   0.295
  290    HG2  LYS  45           2HG      LYS  45   5.366  19.776  -1.190
  291    HG3  LYS  45           1HG      LYS  45   4.514  18.254  -1.462
  292    HD2  LYS  45           2HD      LYS  45   3.040  20.739  -2.174
  293    HD3  LYS  45           1HD      LYS  45   4.405  20.314  -3.207
  294    HE2  LYS  45           2HE      LYS  45   3.009  17.891  -2.765
  295    HE3  LYS  45           1HE      LYS  45   1.771  19.112  -3.125
  296    HZ1  LYS  45           3HZ      LYS  45   2.619  18.273  -5.192
  297    HZ2  LYS  45           1HZ      LYS  45   4.222  18.542  -4.713
  298    HZ3  LYS  45           2HZ      LYS  45   3.188  19.860  -4.998
  299    H    ILE  46           H        ILE  46   5.889  20.289   0.556
  300    HA   ILE  46           HA       ILE  46   6.733  20.556   3.418
  301    HB   ILE  46           HB       ILE  46   8.295  20.634   0.811
  302   HG12  ILE  46          2HG1      ILE  46   7.648  18.369   1.584
  303   HG13  ILE  46          1HG1      ILE  46   9.389  18.610   1.718
  304   HG21  ILE  46          1HG2      ILE  46   9.279  20.959   3.667
  305   HG22  ILE  46          2HG2      ILE  46   9.197  22.246   2.463
  306   HG23  ILE  46          3HG2      ILE  46  10.298  20.887   2.230
  307   HD11  ILE  46          3HD1      ILE  46   8.932  17.715   3.809
  308   HD12  ILE  46          1HD1      ILE  46   7.324  18.435   3.876
  309   HD13  ILE  46          2HD1      ILE  46   8.750  19.434   4.157
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1 -11.948   0.467  -9.811
    2    H2   GLY   1           2H       GLY   1 -11.653  -0.873 -10.808
    3    H3   GLY   1           3H       GLY   1 -10.390  -0.193  -9.903
    4    HA2  GLY   1           2HA      GLY   1 -11.815  -2.341  -9.149
    5    HA3  GLY   1           1HA      GLY   1 -10.938  -1.284  -8.042
    6    HA   HYP   2           HA       HYP   2 -15.601  -1.135  -7.260
    7    HB2  HYP   2           1HB      HYP   2 -15.696  -2.617  -4.965
    8    HB3  HYP   2           2HB      HYP   2 -15.870  -3.336  -6.578
    9    HG   HYP   2           HG       HYP   2 -13.493  -3.231  -4.793
   10   HD22  HYP   2          1HD       HYP   2 -13.023  -3.730  -7.678
   11   HD23  HYP   2          2HD       HYP   2 -11.997  -2.920  -6.475
   12    HD1  HYP   2           HOD      HYP   2 -13.260  -5.377  -5.767
   13    H    SER   3           H        SER   3 -16.580  -0.200  -5.150
   14    HA   SER   3           HA       SER   3 -14.840   1.900  -4.109
   15    HB2  SER   3           2HB      SER   3 -17.683   0.990  -3.770
   16    HB3  SER   3           1HB      SER   3 -17.020   2.156  -2.631
   17    HG   SER   3           HG       SER   3 -17.886   2.550  -5.124
   18    H    PHE   4           H        PHE   4 -13.391  -0.160  -3.354
   19    HA   PHE   4           HA       PHE   4 -13.610  -0.223  -0.422
   20    HB2  PHE   4           2HB      PHE   4 -15.018  -2.118  -1.817
   21    HB3  PHE   4           1HB      PHE   4 -13.475  -2.943  -1.592
   22    HD1  PHE   4           HD2      PHE   4 -15.561  -0.606   0.496
   23    HD2  PHE   4           HD1      PHE   4 -13.492  -4.366   0.252
   24    HE1  PHE   4           HE2      PHE   4 -16.161  -1.090   2.853
   25    HE2  PHE   4           HE1      PHE   4 -14.094  -4.848   2.608
   26    HZ   PHE   4           HZ       PHE   4 -15.427  -3.211   3.909
   27    H    CYS   5           H        CYS   5 -11.739  -1.840   0.378
   28    HA   CYS   5           HA       CYS   5  -9.468  -2.051  -1.499
   29    HB2  CYS   5           2HB      CYS   5  -8.102  -0.451  -0.288
   30    HB3  CYS   5           1HB      CYS   5  -9.623   0.348  -0.692
   31    H    LYS   6           H        LYS   6  -7.476  -2.904  -0.214
   32    HA   LYS   6           HA       LYS   6  -8.380  -5.054   1.556
   33    HB2  LYS   6           2HB      LYS   6  -6.470  -4.923  -0.301
   34    HB3  LYS   6           1HB      LYS   6  -5.503  -4.337   1.048
   35    HG2  LYS   6           2HG      LYS   6  -5.203  -6.716   0.988
   36    HG3  LYS   6           1HG      LYS   6  -6.268  -6.379   2.350
   37    HD2  LYS   6           2HD      LYS   6  -7.317  -8.191   1.219
   38    HD3  LYS   6           1HD      LYS   6  -8.217  -6.764   0.714
   39    HE2  LYS   6           2HE      LYS   6  -7.653  -8.277  -1.209
   40    HE3  LYS   6           1HE      LYS   6  -6.935  -6.664  -1.392
   41    HZ1  LYS   6           3HZ      LYS   6  -5.436  -8.740   0.062
   42    HZ2  LYS   6           1HZ      LYS   6  -4.848  -7.412  -0.834
   43    HZ3  LYS   6           2HZ      LYS   6  -5.458  -8.791  -1.636
   44    H    ALA   7           H        ALA   7  -7.507  -5.292   3.764
   45    HA   ALA   7           HA       ALA   7  -7.299  -2.676   5.156
   46    HB1  ALA   7           3HB      ALA   7  -8.670  -4.995   5.624
   47    HB2  ALA   7           1HB      ALA   7  -8.310  -3.794   6.863
   48    HB3  ALA   7           2HB      ALA   7  -7.271  -5.206   6.678
   49    H    ASP   8           H        ASP   8  -5.811  -2.853   7.217
   50    HA   ASP   8           HA       ASP   8  -3.079  -2.998   6.332
   51    HB2  ASP   8           2HB      ASP   8  -4.382  -2.864   9.068
   52    HB3  ASP   8           1HB      ASP   8  -2.659  -2.620   8.782
   53    H    GLU   9           H        GLU   9  -1.483  -4.350   7.825
   54    HA   GLU   9           HA       GLU   9  -0.689  -6.443   8.576
   55    HB2  GLU   9           2HB      GLU   9  -3.226  -6.276   9.548
   56    HB3  GLU   9           1HB      GLU   9  -3.381  -7.694   8.513
   57    HG2  GLU   9           2HG      GLU   9  -1.768  -8.909   9.705
   58    HG3  GLU   9           1HG      GLU   9  -1.042  -7.459  10.393
   59    H    LYS  10           H        LYS  10  -3.426  -7.003   6.342
   60    HA   LYS  10           HA       LYS  10  -2.005  -9.165   4.951
   61    HB2  LYS  10           2HB      LYS  10  -4.073  -8.819   3.350
   62    HB3  LYS  10           1HB      LYS  10  -4.338  -9.471   4.962
   63    HG2  LYS  10           2HG      LYS  10  -4.417  -6.536   4.881
   64    HG3  LYS  10           1HG      LYS  10  -5.647  -7.290   3.871
   65    HD2  LYS  10           2HD      LYS  10  -5.162  -8.121   6.744
   66    HD3  LYS  10           1HD      LYS  10  -6.326  -6.875   6.296
   67    HE2  LYS  10           2HE      LYS  10  -7.430  -8.562   4.761
   68    HE3  LYS  10           1HE      LYS  10  -6.359  -9.795   5.456
   69    HZ1  LYS  10           3HZ      LYS  10  -7.144  -9.140   7.674
   70    HZ2  LYS  10           1HZ      LYS  10  -8.412  -9.717   6.706
   71    HZ3  LYS  10           2HZ      LYS  10  -8.238  -8.048   6.968
   72    HA   HYP  11           HA       HYP  11   0.072  -5.968   2.556
   73    HB2  HYP  11           1HB      HYP  11   2.064  -7.573   1.626
   74    HB3  HYP  11           2HB      HYP  11   2.052  -6.886   3.257
   75    HG   HYP  11           HG       HYP  11   2.179  -9.030   3.892
   76   HD22  HYP  11          1HD       HYP  11   0.217  -8.865   4.927
   77   HD23  HYP  11          2HD       HYP  11  -0.443  -9.868   3.624
   78    HD1  HYP  11           HOD      HYP  11   0.735  -9.848   1.552
   79    H    CYS  12           H        CYS  12   1.140  -6.181   0.168
   80    HA   CYS  12           HA       CYS  12  -0.544  -7.922  -1.578
   81    HB2  CYS  12           2HB      CYS  12  -1.620  -6.143  -2.612
   82    HB3  CYS  12           1HB      CYS  12  -1.427  -5.457  -1.003
   83    H    GLU  13           H        GLU  13   0.234  -7.425  -4.008
   84    HA   GLU  13           HA       GLU  13   3.143  -7.814  -4.055
   85    HB2  GLU  13           2HB      GLU  13   1.287  -8.954  -5.458
   86    HB3  GLU  13           1HB      GLU  13   1.278  -7.470  -6.414
   87    HG2  GLU  13           2HG      GLU  13   2.893  -8.577  -7.603
   88    HG3  GLU  13           1HG      GLU  13   3.939  -7.934  -6.339
   89    H    TYR  14           H        TYR  14   0.852  -5.323  -5.225
   90    HA   TYR  14           HA       TYR  14   3.090  -3.588  -6.110
   91    HB2  TYR  14           2HB      TYR  14   0.081  -3.125  -6.097
   92    HB3  TYR  14           1HB      TYR  14   1.275  -2.208  -7.007
   93    HD1  TYR  14           HD1      TYR  14   2.974  -4.023  -8.335
   94    HD2  TYR  14           HD2      TYR  14  -1.199  -4.492  -7.435
   95    HE1  TYR  14           HE1      TYR  14   2.746  -5.607 -10.227
   96    HE2  TYR  14           HE2      TYR  14  -1.428  -6.083  -9.324
   97    HH   TYR  14           HH       TYR  14   0.904  -7.663 -10.700
   98    H    HIS  15           H        HIS  15   1.086  -1.294  -5.262
   99    HA   HIS  15           HA       HIS  15   1.618  -1.310  -2.338
  100    HB2  HIS  15           2HB      HIS  15   3.167   0.032  -4.312
  101    HB3  HIS  15           1HB      HIS  15   2.263   1.270  -3.438
  102    HD1  HIS  15           HD1      HIS  15   5.000   1.630  -2.705
  103    HD2  HIS  15           HD2      HIS  15   2.869  -1.499  -0.962
  104    HE1  HIS  15           HE1      HIS  15   6.183   1.070  -0.528
  105    H    ALA  16           H        ALA  16  -0.810  -1.269  -4.319
  106    HA   ALA  16           HA       ALA  16  -2.195   1.050  -2.995
  107    HB1  ALA  16           3HB      ALA  16  -3.196   1.611  -5.089
  108    HB2  ALA  16           1HB      ALA  16  -2.716   0.074  -5.813
  109    HB3  ALA  16           2HB      ALA  16  -1.498   1.298  -5.454
  110    H    ASP  17           H        ASP  17  -2.144  -2.252  -3.106
  111    HA   ASP  17           HA       ASP  17  -4.855  -3.031  -3.624
  112    HB2  ASP  17           2HB      ASP  17  -2.962  -4.575  -3.522
  113    HB3  ASP  17           1HB      ASP  17  -2.674  -4.157  -1.837
  114    H    CYS  18           H        CYS  18  -3.230  -1.987  -0.619
  115    HA   CYS  18           HA       CYS  18  -5.757  -2.245   0.925
  116    HB2  CYS  18           2HB      CYS  18  -2.882  -1.519   1.520
  117    HB3  CYS  18           1HB      CYS  18  -4.145  -1.281   2.727
  118    H    CYS  19           H        CYS  19  -6.513  -0.288   2.184
  119    HA   CYS  19           HA       CYS  19  -6.978   1.980   0.510
  120    HB2  CYS  19           2HB      CYS  19  -7.379   1.204   3.337
  121    HB3  CYS  19           1HB      CYS  19  -7.376   2.939   3.018
  122    H    ASN  20           H        ASN  20  -4.060   1.175   2.087
  123    HA   ASN  20           HA       ASN  20  -3.104   3.980   1.791
  124    HB2  ASN  20           2HB      ASN  20  -2.519   2.080   4.091
  125    HB3  ASN  20           1HB      ASN  20  -1.929   3.729   3.928
  126   HD21  ASN  20          1HD2      ASN  20  -4.807   1.773   4.543
  127   HD22  ASN  20          2HD2      ASN  20  -5.760   3.043   5.116
  128    H    CYS  21           H        CYS  21  -1.157   1.410   3.184
  129    HA   CYS  21           HA       CYS  21   0.307   1.127   0.571
  130    HB2  CYS  21           2HB      CYS  21   1.419   1.341   3.394
  131    HB3  CYS  21           1HB      CYS  21   2.374   1.147   1.928
  132    H    CYS  22           H        CYS  22   0.858  -1.011   0.058
  133    HA   CYS  22           HA       CYS  22   0.380  -3.093   2.169
  134    HB2  CYS  22           2HB      CYS  22  -0.410  -4.523   0.223
  135    HB3  CYS  22           1HB      CYS  22  -1.458  -3.166   0.606
  136    H    LEU  23           H        LEU  23   2.767  -2.885   2.526
  137    HA   LEU  23           HA       LEU  23   4.601  -3.528   0.328
  138    HB2  LEU  23           2HB      LEU  23   5.110  -3.643   3.318
  139    HB3  LEU  23           1HB      LEU  23   6.290  -3.358   2.040
  140    HG   LEU  23           HG       LEU  23   4.321  -1.375   1.687
  141   HD11  LEU  23          1HD1      LEU  23   3.703  -0.573   3.735
  142   HD12  LEU  23          2HD1      LEU  23   5.230  -1.034   4.485
  143   HD13  LEU  23          3HD1      LEU  23   3.971  -2.243   4.233
  144   HD21  LEU  23          3HD2      LEU  23   7.022  -1.207   3.061
  145   HD22  LEU  23          1HD2      LEU  23   6.159   0.137   2.315
  146   HD23  LEU  23          2HD2      LEU  23   6.771  -1.182   1.316
  147    H    SER  24           H        SER  24   5.878  -5.461   0.209
  148    HA   SER  24           HA       SER  24   4.572  -7.922   0.302
  149    HB2  SER  24           2HB      SER  24   7.135  -8.681   0.633
  150    HB3  SER  24           1HB      SER  24   6.550  -7.984  -0.873
  151    HG   SER  24           HG       SER  24   8.445  -6.935  -0.087
  152    H    GLY  25           H        GLY  25   6.380  -6.350   2.903
  153    HA2  GLY  25           2HA      GLY  25   6.388  -8.586   4.709
  154    HA3  GLY  25           1HA      GLY  25   6.610  -6.900   5.177
  155    H    ILE  26           H        ILE  26   4.242  -5.708   4.521
  156    HA   ILE  26           HA       ILE  26   1.871  -7.203   5.259
  157    HB   ILE  26           HB       ILE  26   3.709  -6.283   7.326
  158   HG12  ILE  26          2HG1      ILE  26   1.067  -7.581   7.888
  159   HG13  ILE  26          1HG1      ILE  26   2.282  -8.480   6.980
  160   HG21  ILE  26          1HG2      ILE  26   2.063  -5.245   8.839
  161   HG22  ILE  26          2HG2      ILE  26   0.858  -5.272   7.552
  162   HG23  ILE  26          3HG2      ILE  26   2.296  -4.265   7.392
  163   HD11  ILE  26          3HD1      ILE  26   2.380  -8.828   9.479
  164   HD12  ILE  26          1HD1      ILE  26   2.836  -7.132   9.635
  165   HD13  ILE  26          2HD1      ILE  26   3.886  -8.252   8.768
  166    H    CYS  27           H        CYS  27  -0.026  -5.719   5.516
  167    HA   CYS  27           HA       CYS  27   0.309  -3.277   3.886
  168    HB2  CYS  27           2HB      CYS  27  -1.830  -5.079   4.717
  169    HB3  CYS  27           1HB      CYS  27  -2.307  -3.387   4.863
  170    H    ALA  28           H        ALA  28   0.173  -1.160   4.652
  171    HA   ALA  28           HA       ALA  28  -0.432  -0.718   7.541
  172    HB1  ALA  28           3HB      ALA  28   2.143  -0.544   6.117
  173    HB2  ALA  28           1HB      ALA  28   1.826  -0.663   7.846
  174    HB3  ALA  28           2HB      ALA  28   1.749   0.906   7.046
  175    HA   HYP  29           HA       HYP  29  -2.383   2.987   6.165
  176    HB2  HYP  29           1HB      HYP  29  -1.628   4.839   8.024
  177    HB3  HYP  29           2HB      HYP  29  -2.783   3.536   8.371
  178    HG   HYP  29           HG       HYP  29   0.145   3.669   8.933
  179   HD22  HYP  29          1HD       HYP  29  -1.295   1.054   8.963
  180   HD23  HYP  29          2HD       HYP  29   0.427   1.406   8.696
  181    HD1  HYP  29           HOD      HYP  29  -1.871   2.429  10.514
  182    H    SER  30           H        SER  30  -1.945   5.279   5.384
  183    HA   SER  30           HA       SER  30   0.831   5.474   4.282
  184    HB2  SER  30           2HB      SER  30  -1.827   6.732   3.518
  185    HB3  SER  30           1HB      SER  30  -0.313   7.033   2.672
  186    HG   SER  30           HG       SER  30  -1.230   5.378   1.583
  187    H    THR  31           H        THR  31  -0.517   6.536   7.017
  188    HA   THR  31           HA       THR  31  -0.064   9.421   6.825
  189    HB   THR  31           HB       THR  31  -0.257   7.818   9.376
  190    HG1  THR  31           HG1      THR  31  -2.436   7.566   9.057
  191   HG21  THR  31          3HG2      THR  31  -1.603  10.388   8.507
  192   HG22  THR  31          1HG2      THR  31  -0.048  10.329   9.339
  193   HG23  THR  31          2HG2      THR  31  -1.502   9.735  10.142
  194    H    ASN  32           H        ASN  32   2.243   8.826   5.919
  195    HA   ASN  32           HA       ASN  32   4.149   8.561   8.223
  196    HB2  ASN  32           2HB      ASN  32   4.781   7.942   5.335
  197    HB3  ASN  32           1HB      ASN  32   5.576   7.336   6.782
  198   HD21  ASN  32          1HD2      ASN  32   4.173   5.812   8.182
  199   HD22  ASN  32          2HD2      ASN  32   3.056   4.821   7.375
  200    H    TRP  33           H        TRP  33   6.261   9.697   7.766
  201    HA   TRP  33           HA       TRP  33   5.947  12.095   6.012
  202    HB2  TRP  33           2HB      TRP  33   7.368  13.168   8.037
  203    HB3  TRP  33           1HB      TRP  33   5.612  13.179   8.024
  204    HD1  TRP  33           HD1      TRP  33   4.568  10.757   9.244
  205    HE1  TRP  33           HE1      TRP  33   5.274   9.809  11.538
  206    HE3  TRP  33           HE3      TRP  33   9.080  13.064   9.792
  207    HZ2  TRP  33           HZ2      TRP  33   7.454  10.026  13.371
  208    HZ3  TRP  33           HZ3      TRP  33  10.444  12.695  11.825
  209    HH2  TRP  33           HH2      TRP  33   9.639  11.180  13.614
  210    H    ILE  34           H        ILE  34   8.447  10.668   8.164
  211    HA   ILE  34           HA       ILE  34  10.385  10.920   5.912
  212    HB   ILE  34           HB       ILE  34  12.078  10.650   7.682
  213   HG12  ILE  34          2HG1      ILE  34  10.622  10.886  10.062
  214   HG13  ILE  34          1HG1      ILE  34   9.778   9.632   9.159
  215   HG21  ILE  34          1HG2      ILE  34   9.908  12.694   7.958
  216   HG22  ILE  34          2HG2      ILE  34  11.591  12.903   7.479
  217   HG23  ILE  34          3HG2      ILE  34  11.184  12.643   9.174
  218   HD11  ILE  34          3HD1      ILE  34  11.769   8.918  10.664
  219   HD12  ILE  34          1HD1      ILE  34  12.783   9.609   9.396
  220   HD13  ILE  34          2HD1      ILE  34  11.696   8.270   9.024
  221    H    LEU  35           H        LEU  35   8.464   8.593   7.525
  222    HA   LEU  35           HA       LEU  35  10.211   6.283   7.144
  223    HB2  LEU  35           2HB      LEU  35   7.411   6.868   8.058
  224    HB3  LEU  35           1HB      LEU  35   7.799   5.216   7.583
  225    HG   LEU  35           HG       LEU  35   9.929   5.660   9.131
  226   HD11  LEU  35          1HD1      LEU  35   7.813   7.602  10.072
  227   HD12  LEU  35          2HD1      LEU  35   9.526   7.907   9.783
  228   HD13  LEU  35          3HD1      LEU  35   9.024   6.943  11.171
  229   HD21  LEU  35          3HD2      LEU  35   7.199   5.088  10.317
  230   HD22  LEU  35          1HD2      LEU  35   8.758   4.510  10.905
  231   HD23  LEU  35          2HD2      LEU  35   8.120   3.916   9.372
  232    HA   PRO  36           HA       PRO  36   9.139   5.714   2.881
  233    HB2  PRO  36           2HB      PRO  36   9.926   3.098   2.623
  234    HB3  PRO  36           1HB      PRO  36  11.072   4.453   2.686
  235    HG2  PRO  36           2HG      PRO  36  10.271   2.548   4.831
  236    HG3  PRO  36           1HG      PRO  36  11.863   3.234   4.466
  237    HD2  PRO  36           2HD      PRO  36  10.278   4.136   6.488
  238    HD3  PRO  36           1HD      PRO  36  11.448   5.162   5.628
  239    H    GLY  37           H        GLY  37   6.891   5.701   2.687
  240    HA2  GLY  37           2HA      GLY  37   5.382   3.339   3.687
  241    HA3  GLY  37           1HA      GLY  37   4.663   4.867   3.173
  242    H    CYS  38           H        CYS  38   3.918   4.999   1.070
  243    HA   CYS  38           HA       CYS  38   5.002   3.092  -0.939
  244    HB2  CYS  38           2HB      CYS  38   2.708   2.311  -1.458
  245    HB3  CYS  38           1HB      CYS  38   3.157   1.938   0.203
  246    H    SER  39           H        SER  39   5.090   6.045  -0.638
  247    HA   SER  39           HA       SER  39   3.217   7.231  -2.522
  248    HB2  SER  39           2HB      SER  39   5.889   8.383  -1.738
  249    HB3  SER  39           1HB      SER  39   4.353   9.215  -1.970
  250    HG   SER  39           HG       SER  39   4.659   9.054   0.217
  251    H    THR  40           H        THR  40   3.662   5.565  -4.275
  252    HA   THR  40           HA       THR  40   6.055   6.360  -5.905
  253    HB   THR  40           HB       THR  40   4.893   3.642  -6.242
  254    HG1  THR  40           HG1      THR  40   4.802   3.679  -4.039
  255   HG21  THR  40          3HG2      THR  40   7.277   3.039  -6.342
  256   HG22  THR  40          1HG2      THR  40   7.714   4.678  -5.859
  257   HG23  THR  40          2HG2      THR  40   6.926   4.397  -7.412
  258    H    SER  41           H        SER  41   5.519   7.051  -7.961
  259    HA   SER  41           HA       SER  41   3.070   6.066  -9.297
  260    HB2  SER  41           2HB      SER  41   2.540   8.024  -7.701
  261    HB3  SER  41           1HB      SER  41   3.462   9.033  -8.813
  262    HG   SER  41           HG       SER  41   1.107   7.527  -9.309
  263    H    SER  42           H        SER  42   3.124   6.507 -11.583
  264    HA   SER  42           HA       SER  42   5.802   7.408 -12.580
  265    HB2  SER  42           2HB      SER  42   5.278   5.142 -13.165
  266    HB3  SER  42           1HB      SER  42   3.628   5.568 -13.611
  267    HG   SER  42           HG       SER  42   4.309   6.314 -15.482
  268    H    PHE  43           H        PHE  43   5.203   9.693 -12.521
  269    HA   PHE  43           HA       PHE  43   3.560  10.513 -14.871
  270    HB2  PHE  43           2HB      PHE  43   2.195  10.366 -12.726
  271    HB3  PHE  43           1HB      PHE  43   3.216  11.646 -12.075
  272    HD1  PHE  43           HD1      PHE  43   1.595  11.061 -15.430
  273    HD2  PHE  43           HD2      PHE  43   2.089  13.679 -12.058
  274    HE1  PHE  43           HE1      PHE  43   0.169  12.764 -16.543
  275    HE2  PHE  43           HE2      PHE  43   0.666  15.375 -13.168
  276    HZ   PHE  43           HZ       PHE  43  -0.298  14.921 -15.407
  277    H    PHE  44           H        PHE  44   6.515  10.587 -13.947
  278    HA   PHE  44           HA       PHE  44   6.944  13.479 -14.561
  279    HB2  PHE  44           2HB      PHE  44   8.726  12.216 -12.527
  280    HB3  PHE  44           1HB      PHE  44   8.130  13.869 -12.609
  281    HD1  PHE  44           HD2      PHE  44   5.797  14.396 -11.838
  282    HD2  PHE  44           HD1      PHE  44   7.568  10.517 -11.287
  283    HE1  PHE  44           HE2      PHE  44   4.063  13.841 -10.152
  284    HE2  PHE  44           HE1      PHE  44   5.835   9.966  -9.606
  285    HZ   PHE  44           HZ       PHE  44   4.085  11.627  -9.032
  286    H    LYS  45           H        LYS  45   9.827  13.231 -14.141
  287    HA   LYS  45           HA       LYS  45  10.579  11.987 -16.674
  288    HB2  LYS  45           2HB      LYS  45  11.460  14.107 -15.277
  289    HB3  LYS  45           1HB      LYS  45  12.549  12.894 -14.601
  290    HG2  LYS  45           2HG      LYS  45  13.591  12.485 -16.654
  291    HG3  LYS  45           1HG      LYS  45  12.209  13.060 -17.586
  292    HD2  LYS  45           2HD      LYS  45  13.918  14.741 -17.775
  293    HD3  LYS  45           1HD      LYS  45  12.695  15.379 -16.678
  294    HE2  LYS  45           2HE      LYS  45  14.268  14.185 -14.846
  295    HE3  LYS  45           1HE      LYS  45  15.495  14.504 -16.089
  296    HZ1  LYS  45           3HZ      LYS  45  13.551  16.615 -15.397
  297    HZ2  LYS  45           1HZ      LYS  45  15.119  16.762 -16.024
  298    HZ3  LYS  45           2HZ      LYS  45  14.894  16.361 -14.392
  299    H    ILE  46           H        ILE  46  12.953  10.724 -16.237
  300    HA   ILE  46           HA       ILE  46  12.166   8.262 -14.805
  301    HB   ILE  46           HB       ILE  46  14.570   9.025 -16.509
  302   HG12  ILE  46          2HG1      ILE  46  12.239   8.977 -17.587
  303   HG13  ILE  46          1HG1      ILE  46  13.456   7.937 -18.324
  304   HG21  ILE  46          1HG2      ILE  46  14.792   6.491 -16.689
  305   HG22  ILE  46          2HG2      ILE  46  13.662   6.386 -15.340
  306   HG23  ILE  46          3HG2      ILE  46  15.219   7.184 -15.124
  307   HD11  ILE  46          3HD1      ILE  46  12.361   6.035 -17.733
  308   HD12  ILE  46          1HD1      ILE  46  10.965   7.094 -17.533
  309   HD13  ILE  46          2HD1      ILE  46  11.950   6.660 -16.136
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1 -15.086  -5.968   4.521
    2    H2   GLY   1           2H       GLY   1 -16.089  -5.735   5.871
    3    H3   GLY   1           3H       GLY   1 -14.409  -5.768   6.062
    4    HA2  GLY   1           2HA      GLY   1 -15.708  -3.521   5.999
    5    HA3  GLY   1           1HA      GLY   1 -14.112  -3.671   5.265
    6    HA   HYP   2           HA       HYP   2 -17.611  -3.109   2.013
    7    HB2  HYP   2           1HB      HYP   2 -18.520  -0.554   2.315
    8    HB3  HYP   2           2HB      HYP   2 -19.287  -1.950   3.095
    9    HG   HYP   2           HG       HYP   2 -17.438   0.081   4.226
   10   HD22  HYP   2          1HD       HYP   2 -17.559  -2.483   5.679
   11   HD23  HYP   2          2HD       HYP   2 -16.200  -1.366   5.433
   12    HD1  HYP   2           HOD      HYP   2 -19.343   0.308   5.203
   13    H    SER   3           H        SER   3 -15.036  -1.070   3.186
   14    HA   SER   3           HA       SER   3 -14.671   0.756   1.065
   15    HB2  SER   3           2HB      SER   3 -12.260  -0.508   2.260
   16    HB3  SER   3           1HB      SER   3 -12.714   1.192   2.184
   17    HG   SER   3           HG       SER   3 -12.858   0.461   4.317
   18    H    PHE   4           H        PHE   4 -13.772   0.582  -0.986
   19    HA   PHE   4           HA       PHE   4 -13.455  -2.096  -2.153
   20    HB2  PHE   4           2HB      PHE   4 -13.220   0.752  -3.146
   21    HB3  PHE   4           1HB      PHE   4 -12.890  -0.626  -4.193
   22    HD1  PHE   4           HD2      PHE   4 -14.788  -2.579  -3.929
   23    HD2  PHE   4           HD1      PHE   4 -15.372   1.624  -3.260
   24    HE1  PHE   4           HE2      PHE   4 -17.217  -2.851  -4.349
   25    HE2  PHE   4           HE1      PHE   4 -17.802   1.351  -3.677
   26    HZ   PHE   4           HZ       PHE   4 -18.725  -0.887  -4.221
   27    H    CYS   5           H        CYS   5 -11.551  -2.136  -0.271
   28    HA   CYS   5           HA       CYS   5  -9.054  -2.267  -1.788
   29    HB2  CYS   5           2HB      CYS   5  -7.952  -0.612  -0.130
   30    HB3  CYS   5           1HB      CYS   5  -8.952   0.071  -1.406
   31    H    LYS   6           H        LYS   6  -7.349  -3.305  -0.508
   32    HA   LYS   6           HA       LYS   6  -8.365  -5.223   1.397
   33    HB2  LYS   6           2HB      LYS   6  -6.307  -5.138  -0.334
   34    HB3  LYS   6           1HB      LYS   6  -5.448  -4.626   1.112
   35    HG2  LYS   6           2HG      LYS   6  -5.400  -6.722   1.893
   36    HG3  LYS   6           1HG      LYS   6  -7.153  -6.857   1.760
   37    HD2  LYS   6           2HD      LYS   6  -5.134  -7.355  -0.459
   38    HD3  LYS   6           1HD      LYS   6  -6.092  -8.580   0.373
   39    HE2  LYS   6           2HE      LYS   6  -7.536  -6.309  -0.981
   40    HE3  LYS   6           1HE      LYS   6  -6.909  -7.640  -1.969
   41    HZ1  LYS   6           3HZ      LYS   6  -9.223  -7.927  -0.977
   42    HZ2  LYS   6           1HZ      LYS   6  -8.447  -8.144   0.514
   43    HZ3  LYS   6           2HZ      LYS   6  -8.131  -9.210  -0.769
   44    H    ALA   7           H        ALA   7  -7.324  -5.448   3.621
   45    HA   ALA   7           HA       ALA   7  -7.292  -2.774   4.956
   46    HB1  ALA   7           3HB      ALA   7  -7.322  -5.175   6.629
   47    HB2  ALA   7           1HB      ALA   7  -8.615  -5.172   5.430
   48    HB3  ALA   7           2HB      ALA   7  -8.469  -3.837   6.573
   49    H    ASP   8           H        ASP   8  -5.900  -2.891   7.086
   50    HA   ASP   8           HA       ASP   8  -3.133  -3.055   6.326
   51    HB2  ASP   8           2HB      ASP   8  -4.754  -2.556   8.790
   52    HB3  ASP   8           1HB      ASP   8  -3.043  -2.922   9.006
   53    H    GLU   9           H        GLU   9  -1.625  -4.376   7.981
   54    HA   GLU   9           HA       GLU   9  -0.875  -6.451   8.808
   55    HB2  GLU   9           2HB      GLU   9  -3.553  -6.299   9.460
   56    HB3  GLU   9           1HB      GLU   9  -3.467  -7.817   8.569
   57    HG2  GLU   9           2HG      GLU   9  -2.934  -8.566  10.700
   58    HG3  GLU   9           1HG      GLU   9  -1.322  -8.203  10.089
   59    H    LYS  10           H        LYS  10  -3.425  -7.067   6.379
   60    HA   LYS  10           HA       LYS  10  -1.871  -9.218   5.113
   61    HB2  LYS  10           2HB      LYS  10  -3.853  -9.127   3.490
   62    HB3  LYS  10           1HB      LYS  10  -4.260  -9.453   5.169
   63    HG2  LYS  10           2HG      LYS  10  -4.228  -6.593   4.655
   64    HG3  LYS  10           1HG      LYS  10  -5.317  -7.420   3.543
   65    HD2  LYS  10           2HD      LYS  10  -5.425  -8.218   6.421
   66    HD3  LYS  10           1HD      LYS  10  -6.117  -6.656   5.984
   67    HE2  LYS  10           2HE      LYS  10  -7.993  -7.827   5.414
   68    HE3  LYS  10           1HE      LYS  10  -7.078  -8.361   3.991
   69    HZ1  LYS  10           3HZ      LYS  10  -6.157 -10.173   5.340
   70    HZ2  LYS  10           1HZ      LYS  10  -7.843 -10.277   5.225
   71    HZ3  LYS  10           2HZ      LYS  10  -7.126  -9.695   6.650
   72    HA   HYP  11           HA       HYP  11   0.195  -5.986   2.737
   73    HB2  HYP  11           1HB      HYP  11   2.280  -7.539   1.937
   74    HB3  HYP  11           2HB      HYP  11   2.184  -6.785   3.534
   75    HG   HYP  11           HG       HYP  11   2.380  -8.885   4.256
   76   HD22  HYP  11          1HD       HYP  11   0.389  -8.730   5.223
   77   HD23  HYP  11          2HD       HYP  11  -0.185  -9.852   3.977
   78    HD1  HYP  11           HOD      HYP  11   1.178  -9.747   1.805
   79    H    CYS  12           H        CYS  12   1.289  -6.112   0.410
   80    HA   CYS  12           HA       CYS  12  -0.162  -8.017  -1.386
   81    HB2  CYS  12           2HB      CYS  12  -1.308  -6.337  -2.517
   82    HB3  CYS  12           1HB      CYS  12  -1.259  -5.618  -0.911
   83    H    GLU  13           H        GLU  13   0.648  -7.056  -3.822
   84    HA   GLU  13           HA       GLU  13   3.585  -7.465  -3.739
   85    HB2  GLU  13           2HB      GLU  13   1.921  -7.010  -6.217
   86    HB3  GLU  13           1HB      GLU  13   3.345  -8.025  -6.017
   87    HG2  GLU  13           2HG      GLU  13   1.889  -9.754  -5.859
   88    HG3  GLU  13           1HG      GLU  13   1.546  -9.158  -4.236
   89    H    TYR  14           H        TYR  14   1.242  -5.039  -4.924
   90    HA   TYR  14           HA       TYR  14   3.456  -3.157  -5.544
   91    HB2  TYR  14           2HB      TYR  14   0.455  -2.807  -5.881
   92    HB3  TYR  14           1HB      TYR  14   1.736  -1.931  -6.723
   93    HD1  TYR  14           HD2      TYR  14   3.308  -3.261  -8.253
   94    HD2  TYR  14           HD1      TYR  14  -0.391  -4.822  -6.732
   95    HE1  TYR  14           HE2      TYR  14   3.323  -5.005 -10.013
   96    HE2  TYR  14           HE1      TYR  14  -0.373  -6.574  -8.491
   97    HH   TYR  14           HH       TYR  14   0.610  -6.931 -10.720
   98    H    HIS  15           H        HIS  15   1.045  -1.103  -4.883
   99    HA   HIS  15           HA       HIS  15   1.495  -1.009  -1.932
  100    HB2  HIS  15           2HB      HIS  15   2.767   0.562  -3.935
  101    HB3  HIS  15           1HB      HIS  15   1.652   1.621  -3.073
  102    HD1  HIS  15           HD1      HIS  15   3.884   2.745  -2.099
  103    HD2  HIS  15           HD2      HIS  15   3.127  -1.152  -0.816
  104    HE1  HIS  15           HE1      HIS  15   5.358   2.358  -0.071
  105    H    ALA  16           H        ALA  16  -0.817  -0.930  -4.380
  106    HA   ALA  16           HA       ALA  16  -2.544   1.017  -2.890
  107    HB1  ALA  16           3HB      ALA  16  -3.581   1.451  -4.964
  108    HB2  ALA  16           1HB      ALA  16  -3.025  -0.072  -5.659
  109    HB3  ALA  16           2HB      ALA  16  -1.881   1.241  -5.382
  110    H    ASP  17           H        ASP  17  -2.147  -2.339  -3.257
  111    HA   ASP  17           HA       ASP  17  -4.729  -3.389  -3.568
  112    HB2  ASP  17           2HB      ASP  17  -2.369  -4.453  -3.165
  113    HB3  ASP  17           1HB      ASP  17  -2.828  -4.397  -1.464
  114    H    CYS  18           H        CYS  18  -3.202  -2.227  -0.548
  115    HA   CYS  18           HA       CYS  18  -5.731  -2.583   0.946
  116    HB2  CYS  18           2HB      CYS  18  -2.911  -1.721   1.589
  117    HB3  CYS  18           1HB      CYS  18  -4.206  -1.570   2.781
  118    H    CYS  19           H        CYS  19  -6.721  -0.762   2.096
  119    HA   CYS  19           HA       CYS  19  -7.303   1.505   0.513
  120    HB2  CYS  19           2HB      CYS  19  -7.357   1.384   3.533
  121    HB3  CYS  19           1HB      CYS  19  -8.413   2.325   2.482
  122    H    ASN  20           H        ASN  20  -4.369   0.952   2.232
  123    HA   ASN  20           HA       ASN  20  -3.670   3.840   1.898
  124    HB2  ASN  20           2HB      ASN  20  -2.808   2.064   4.208
  125    HB3  ASN  20           1HB      ASN  20  -2.582   3.806   4.051
  126   HD21  ASN  20          1HD2      ASN  20  -4.988   1.291   4.703
  127   HD22  ASN  20          2HD2      ASN  20  -6.199   2.346   5.223
  128    H    CYS  21           H        CYS  21  -1.656   1.145   3.130
  129    HA   CYS  21           HA       CYS  21  -0.160   1.120   0.539
  130    HB2  CYS  21           2HB      CYS  21   0.798   1.931   3.275
  131    HB3  CYS  21           1HB      CYS  21   1.924   1.173   2.147
  132    H    CYS  22           H        CYS  22   0.633  -0.967   0.069
  133    HA   CYS  22           HA       CYS  22   0.327  -3.022   2.247
  134    HB2  CYS  22           2HB      CYS  22  -0.366  -4.556   0.347
  135    HB3  CYS  22           1HB      CYS  22  -1.494  -3.250   0.689
  136    H    LEU  23           H        LEU  23   2.691  -2.797   2.651
  137    HA   LEU  23           HA       LEU  23   4.570  -3.367   0.471
  138    HB2  LEU  23           2HB      LEU  23   4.653  -2.983   3.458
  139    HB3  LEU  23           1HB      LEU  23   6.066  -3.653   2.644
  140    HG   LEU  23           HG       LEU  23   4.725  -1.110   1.701
  141   HD11  LEU  23          1HD1      LEU  23   6.837  -1.545   3.801
  142   HD12  LEU  23          2HD1      LEU  23   5.403  -0.520   3.876
  143   HD13  LEU  23          3HD1      LEU  23   6.774  -0.050   2.869
  144   HD21  LEU  23          3HD2      LEU  23   7.092  -0.782   0.794
  145   HD22  LEU  23          1HD2      LEU  23   6.151  -2.059   0.028
  146   HD23  LEU  23          2HD2      LEU  23   7.391  -2.468   1.217
  147    H    SER  24           H        SER  24   5.584  -5.366   0.067
  148    HA   SER  24           HA       SER  24   4.270  -7.768   0.292
  149    HB2  SER  24           2HB      SER  24   6.577  -7.006  -0.764
  150    HB3  SER  24           1HB      SER  24   7.235  -7.772   0.686
  151    HG   SER  24           HG       SER  24   6.555  -9.684   0.003
  152    H    GLY  25           H        GLY  25   6.282  -6.349   2.818
  153    HA2  GLY  25           2HA      GLY  25   6.319  -8.654   4.533
  154    HA3  GLY  25           1HA      GLY  25   6.609  -7.000   5.054
  155    H    ILE  26           H        ILE  26   4.330  -5.668   4.720
  156    HA   ILE  26           HA       ILE  26   1.954  -7.209   5.558
  157    HB   ILE  26           HB       ILE  26   3.597  -5.439   7.397
  158   HG12  ILE  26          2HG1      ILE  26   4.101  -7.856   7.478
  159   HG13  ILE  26          1HG1      ILE  26   3.376  -7.311   8.985
  160   HG21  ILE  26          1HG2      ILE  26   1.687  -5.653   9.044
  161   HG22  ILE  26          2HG2      ILE  26   0.695  -6.232   7.708
  162   HG23  ILE  26          3HG2      ILE  26   1.361  -4.600   7.667
  163   HD11  ILE  26          3HD1      ILE  26   1.174  -8.125   8.233
  164   HD12  ILE  26          1HD1      ILE  26   2.363  -9.427   8.255
  165   HD13  ILE  26          2HD1      ILE  26   1.896  -8.687   6.725
  166    H    CYS  27           H        CYS  27   0.029  -5.746   5.753
  167    HA   CYS  27           HA       CYS  27   0.294  -3.362   3.997
  168    HB2  CYS  27           2HB      CYS  27  -1.777  -5.245   4.780
  169    HB3  CYS  27           1HB      CYS  27  -2.341  -3.579   4.914
  170    H    ALA  28           H        ALA  28  -0.047  -1.240   4.693
  171    HA   ALA  28           HA       ALA  28  -0.789  -0.739   7.523
  172    HB1  ALA  28           3HB      ALA  28   1.900  -0.900   6.501
  173    HB2  ALA  28           1HB      ALA  28   1.380  -0.527   8.145
  174    HB3  ALA  28           2HB      ALA  28   1.584   0.772   6.970
  175    HA   HYP  29           HA       HYP  29  -2.265   3.178   6.057
  176    HB2  HYP  29           1HB      HYP  29  -0.908   5.128   7.454
  177    HB3  HYP  29           2HB      HYP  29  -2.188   4.128   8.184
  178    HG   HYP  29           HG       HYP  29   0.776   3.766   8.255
  179   HD22  HYP  29          1HD       HYP  29  -1.123   1.558   8.947
  180   HD23  HYP  29          2HD       HYP  29   0.588   1.473   8.464
  181    HD1  HYP  29           HOD      HYP  29   0.440   3.698  10.415
  182    H    SER  30           H        SER  30  -1.477   5.418   5.079
  183    HA   SER  30           HA       SER  30   0.260   4.977   2.882
  184    HB2  SER  30           2HB      SER  30  -0.013   7.662   4.238
  185    HB3  SER  30           1HB      SER  30  -0.052   7.288   2.513
  186    HG   SER  30           HG       SER  30  -2.142   7.716   3.320
  187    H    THR  31           H        THR  31   0.967   6.274   6.132
  188    HA   THR  31           HA       THR  31   3.737   5.382   5.933
  189    HB   THR  31           HB       THR  31   3.093   7.906   4.926
  190    HG1  THR  31           HG1      THR  31   5.325   8.112   4.853
  191   HG21  THR  31          3HG2      THR  31   4.551   8.323   7.539
  192   HG22  THR  31          1HG2      THR  31   2.803   8.553   7.402
  193   HG23  THR  31          2HG2      THR  31   3.903   9.550   6.444
  194    H    ASN  32           H        ASN  32   4.912   6.038   7.982
  195    HA   ASN  32           HA       ASN  32   3.066   6.395  10.323
  196    HB2  ASN  32           2HB      ASN  32   5.496   4.569  10.294
  197    HB3  ASN  32           1HB      ASN  32   4.201   4.619  11.486
  198   HD21  ASN  32          1HD2      ASN  32   5.292   2.929   8.802
  199   HD22  ASN  32          2HD2      ASN  32   3.853   2.167   8.361
  200    H    TRP  33           H        TRP  33   6.359   6.544   9.058
  201    HA   TRP  33           HA       TRP  33   6.912   9.062  10.396
  202    HB2  TRP  33           2HB      TRP  33   9.029   7.824  11.481
  203    HB3  TRP  33           1HB      TRP  33   7.486   7.891  12.321
  204    HD1  TRP  33           HD1      TRP  33   7.995   5.574   9.351
  205    HE1  TRP  33           HE1      TRP  33   7.923   3.106  10.161
  206    HE3  TRP  33           HE3      TRP  33   7.868   6.328  14.378
  207    HZ2  TRP  33           HZ2      TRP  33   7.794   1.681  12.639
  208    HZ3  TRP  33           HZ3      TRP  33   7.763   4.419  15.943
  209    HH2  TRP  33           HH2      TRP  33   7.726   2.094  15.074
  210    H    ILE  34           H        ILE  34   9.686   7.026   9.837
  211    HA   ILE  34           HA       ILE  34  10.103   8.404   7.207
  212    HB   ILE  34           HB       ILE  34  12.132   7.402   9.228
  213   HG12  ILE  34          2HG1      ILE  34  11.621  10.320   8.779
  214   HG13  ILE  34          1HG1      ILE  34  10.447   9.436   9.753
  215   HG21  ILE  34          1HG2      ILE  34  12.333   9.161   6.770
  216   HG22  ILE  34          2HG2      ILE  34  13.107   7.597   7.028
  217   HG23  ILE  34          3HG2      ILE  34  13.617   9.005   7.963
  218   HD11  ILE  34          3HD1      ILE  34  13.437   9.480  10.246
  219   HD12  ILE  34          1HD1      ILE  34  12.236   8.645  11.233
  220   HD13  ILE  34          2HD1      ILE  34  12.242  10.406  11.155
  221    H    LEU  35           H        LEU  35   9.997   5.337   8.812
  222    HA   LEU  35           HA       LEU  35  11.627   3.730   7.152
  223    HB2  LEU  35           2HB      LEU  35  10.431   3.220   9.370
  224    HB3  LEU  35           1HB      LEU  35   9.008   2.858   8.391
  225    HG   LEU  35           HG       LEU  35  11.444   1.561   7.383
  226   HD11  LEU  35          1HD1      LEU  35  10.333   0.720  10.077
  227   HD12  LEU  35          2HD1      LEU  35  11.888   1.513   9.840
  228   HD13  LEU  35          3HD1      LEU  35  11.611  -0.099   9.176
  229   HD21  LEU  35          3HD2      LEU  35   8.847   0.322   8.323
  230   HD22  LEU  35          1HD2      LEU  35   9.945  -0.261   7.071
  231   HD23  LEU  35          2HD2      LEU  35   8.965   1.177   6.784
  232    HA   PRO  36           HA       PRO  36   7.899   2.767   4.369
  233    HB2  PRO  36           2HB      PRO  36   5.631   4.274   4.567
  234    HB3  PRO  36           1HB      PRO  36   5.903   2.798   5.518
  235    HG2  PRO  36           2HG      PRO  36   6.151   5.648   6.317
  236    HG3  PRO  36           1HG      PRO  36   5.593   4.258   7.262
  237    HD2  PRO  36           2HD      PRO  36   8.092   5.403   7.471
  238    HD3  PRO  36           1HD      PRO  36   7.707   3.736   7.946
  239    H    GLY  37           H        GLY  37   7.648   3.579   2.250
  240    HA2  GLY  37           2HA      GLY  37   8.114   6.514   1.864
  241    HA3  GLY  37           1HA      GLY  37   9.026   5.325   0.925
  242    H    CYS  38           H        CYS  38   5.576   5.841   1.813
  243    HA   CYS  38           HA       CYS  38   4.691   4.674  -0.713
  244    HB2  CYS  38           2HB      CYS  38   3.424   6.063   1.649
  245    HB3  CYS  38           1HB      CYS  38   2.450   5.672   0.232
  246    H    SER  39           H        SER  39   6.095   6.308  -2.015
  247    HA   SER  39           HA       SER  39   5.246   9.093  -2.169
  248    HB2  SER  39           2HB      SER  39   7.425   7.680  -2.874
  249    HB3  SER  39           1HB      SER  39   6.613   7.720  -4.436
  250    HG   SER  39           HG       SER  39   7.767   9.576  -4.380
  251    H    THR  40           H        THR  40   3.348   9.750  -3.136
  252    HA   THR  40           HA       THR  40   2.169   7.971  -5.238
  253    HB   THR  40           HB       THR  40   0.033   9.167  -4.444
  254    HG1  THR  40           HG1      THR  40   0.834  10.885  -3.341
  255   HG21  THR  40          3HG2      THR  40  -0.094   7.109  -3.503
  256   HG22  THR  40          1HG2      THR  40   0.495   7.878  -2.030
  257   HG23  THR  40          2HG2      THR  40   1.632   7.092  -3.124
  258    H    SER  41           H        SER  41   3.535   9.141  -6.854
  259    HA   SER  41           HA       SER  41   2.287  11.757  -7.626
  260    HB2  SER  41           2HB      SER  41   5.239  11.050  -7.801
  261    HB3  SER  41           1HB      SER  41   4.506  12.628  -8.088
  262    HG   SER  41           HG       SER  41   3.754  12.454  -5.841
  263    H    SER  42           H        SER  42   1.036  10.407  -9.161
  264    HA   SER  42           HA       SER  42   2.681   9.571 -11.534
  265    HB2  SER  42           2HB      SER  42   0.163   8.234 -10.504
  266    HB3  SER  42           1HB      SER  42   1.250   7.632 -11.748
  267    HG   SER  42           HG       SER  42   1.352   7.266  -9.111
  268    H    PHE  43           H        PHE  43   1.710  10.063 -13.567
  269    HA   PHE  43           HA       PHE  43  -0.474  12.062 -13.471
  270    HB2  PHE  43           2HB      PHE  43   1.264  11.027 -15.737
  271    HB3  PHE  43           1HB      PHE  43   0.164  12.396 -15.851
  272    HD1  PHE  43           HD2      PHE  43   0.603  13.753 -13.248
  273    HD2  PHE  43           HD1      PHE  43   3.419  11.947 -15.949
  274    HE1  PHE  43           HE2      PHE  43   2.391  15.236 -12.381
  275    HE2  PHE  43           HE1      PHE  43   5.204  13.434 -15.079
  276    HZ   PHE  43           HZ       PHE  43   4.689  15.078 -13.295
  277    H    PHE  44           H        PHE  44   0.053   8.743 -14.432
  278    HA   PHE  44           HA       PHE  44  -2.830   8.364 -14.881
  279    HB2  PHE  44           2HB      PHE  44  -2.481   7.531 -17.193
  280    HB3  PHE  44           1HB      PHE  44  -2.008   9.217 -17.046
  281    HD1  PHE  44           HD1      PHE  44   0.494   9.710 -16.598
  282    HD2  PHE  44           HD2      PHE  44  -0.965   5.927 -17.999
  283    HE1  PHE  44           HE1      PHE  44   2.765   9.147 -17.420
  284    HE2  PHE  44           HE2      PHE  44   1.306   5.359 -18.824
  285    HZ   PHE  44           HZ       PHE  44   3.170   6.967 -18.535
  286    H    LYS  45           H        LYS  45  -1.051   7.285 -12.906
  287    HA   LYS  45           HA       LYS  45  -1.081   4.382 -13.675
  288    HB2  LYS  45           2HB      LYS  45   1.206   5.356 -13.779
  289    HB3  LYS  45           1HB      LYS  45   1.030   5.923 -12.119
  290    HG2  LYS  45           2HG      LYS  45   0.583   3.451 -11.514
  291    HG3  LYS  45           1HG      LYS  45   1.233   3.081 -13.111
  292    HD2  LYS  45           2HD      LYS  45   3.192   3.009 -11.894
  293    HD3  LYS  45           1HD      LYS  45   3.172   4.721 -12.311
  294    HE2  LYS  45           2HE      LYS  45   3.598   4.669  -9.953
  295    HE3  LYS  45           1HE      LYS  45   1.871   5.061 -10.087
  296    HZ1  LYS  45           3HZ      LYS  45   1.267   3.082  -9.262
  297    HZ2  LYS  45           1HZ      LYS  45   2.877   2.945  -8.717
  298    HZ3  LYS  45           2HZ      LYS  45   2.428   2.233 -10.189
  299    H    ILE  46           H        ILE  46  -1.347   2.957 -11.797
  300    HA   ILE  46           HA       ILE  46  -3.193   3.992  -9.797
  301    HB   ILE  46           HB       ILE  46  -1.742   1.330 -10.040
  302   HG12  ILE  46          2HG1      ILE  46  -3.104   2.049 -12.072
  303   HG13  ILE  46          1HG1      ILE  46  -3.630   0.546 -11.318
  304   HG21  ILE  46          1HG2      ILE  46  -2.774   1.719  -7.827
  305   HG22  ILE  46          2HG2      ILE  46  -3.609   0.443  -8.712
  306   HG23  ILE  46          3HG2      ILE  46  -4.319   2.054  -8.611
  307   HD11  ILE  46          3HD1      ILE  46  -5.645   1.411 -10.795
  308   HD12  ILE  46          1HD1      ILE  46  -5.231   2.766 -11.844
  309   HD13  ILE  46          2HD1      ILE  46  -4.918   2.866 -10.111
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1 -12.626   7.161  -7.444
    2    H2   GLY   1           2H       GLY   1 -13.230   7.936  -6.058
    3    H3   GLY   1           3H       GLY   1 -13.654   8.499  -7.603
    4    HA2  GLY   1           2HA      GLY   1 -15.459   7.241  -7.524
    5    HA3  GLY   1           1HA      GLY   1 -14.383   5.844  -7.590
    6    HA   HYP   2           HA       HYP   2 -16.666   5.650  -3.584
    7    HB2  HYP   2           1HB      HYP   2 -17.101   2.949  -3.688
    8    HB3  HYP   2           2HB      HYP   2 -18.186   4.137  -4.438
    9    HG   HYP   2           HG       HYP   2 -16.037   2.488  -5.672
   10   HD22  HYP   2          1HD       HYP   2 -17.000   4.914  -7.095
   11   HD23  HYP   2          2HD       HYP   2 -15.421   4.103  -7.163
   12    HD1  HYP   2           HOD      HYP   2 -18.637   3.348  -6.526
   13    H    SER   3           H        SER   3 -15.881   4.727  -1.582
   14    HA   SER   3           HA       SER   3 -13.013   4.195  -1.530
   15    HB2  SER   3           2HB      SER   3 -13.788   3.833   0.998
   16    HB3  SER   3           1HB      SER   3 -13.752   5.443   0.285
   17    HG   SER   3           HG       SER   3 -15.950   3.723   0.759
   18    H    PHE   4           H        PHE   4 -12.164   2.159  -1.854
   19    HA   PHE   4           HA       PHE   4 -13.321  -0.191  -0.528
   20    HB2  PHE   4           2HB      PHE   4 -14.419   0.514  -2.933
   21    HB3  PHE   4           1HB      PHE   4 -13.123  -0.558  -3.465
   22    HD1  PHE   4           HD1      PHE   4 -15.850  -0.366  -0.891
   23    HD2  PHE   4           HD2      PHE   4 -13.502  -2.863  -3.481
   24    HE1  PHE   4           HE1      PHE   4 -17.205  -2.333  -0.227
   25    HE2  PHE   4           HE2      PHE   4 -14.858  -4.827  -2.815
   26    HZ   PHE   4           HZ       PHE   4 -16.708  -4.562  -1.189
   27    H    CYS   5           H        CYS   5 -11.487  -1.294   0.130
   28    HA   CYS   5           HA       CYS   5  -9.398  -2.070  -1.725
   29    HB2  CYS   5           2HB      CYS   5  -7.683  -0.644  -0.252
   30    HB3  CYS   5           1HB      CYS   5  -8.482   0.051  -1.660
   31    H    LYS   6           H        LYS   6  -7.391  -2.908  -0.316
   32    HA   LYS   6           HA       LYS   6  -8.469  -4.808   1.618
   33    HB2  LYS   6           2HB      LYS   6  -6.497  -4.875  -0.193
   34    HB3  LYS   6           1HB      LYS   6  -5.542  -4.327   1.179
   35    HG2  LYS   6           2HG      LYS   6  -5.407  -6.697   1.223
   36    HG3  LYS   6           1HG      LYS   6  -6.550  -6.269   2.491
   37    HD2  LYS   6           2HD      LYS   6  -7.501  -8.112   1.240
   38    HD3  LYS   6           1HD      LYS   6  -8.420  -6.663   0.843
   39    HE2  LYS   6           2HE      LYS   6  -7.843  -8.037  -1.183
   40    HE3  LYS   6           1HE      LYS   6  -7.166  -6.401  -1.260
   41    HZ1  LYS   6           3HZ      LYS   6  -5.060  -7.145  -0.703
   42    HZ2  LYS   6           1HZ      LYS   6  -5.629  -8.391  -1.706
   43    HZ3  LYS   6           2HZ      LYS   6  -5.635  -8.605  -0.026
   44    H    ALA   7           H        ALA   7  -7.366  -5.039   3.807
   45    HA   ALA   7           HA       ALA   7  -7.141  -2.360   5.113
   46    HB1  ALA   7           3HB      ALA   7  -8.781  -4.310   5.702
   47    HB2  ALA   7           1HB      ALA   7  -7.988  -3.435   7.009
   48    HB3  ALA   7           2HB      ALA   7  -7.380  -5.014   6.512
   49    H    ASP   8           H        ASP   8  -5.734  -2.610   7.241
   50    HA   ASP   8           HA       ASP   8  -2.979  -2.819   6.446
   51    HB2  ASP   8           2HB      ASP   8  -4.453  -2.553   9.067
   52    HB3  ASP   8           1HB      ASP   8  -2.692  -2.588   8.995
   53    H    GLU   9           H        GLU   9  -1.432  -4.176   7.887
   54    HA   GLU   9           HA       GLU   9  -0.611  -6.249   8.623
   55    HB2  GLU   9           2HB      GLU   9  -2.949  -6.101   9.847
   56    HB3  GLU   9           1HB      GLU   9  -3.398  -7.367   8.697
   57    HG2  GLU   9           2HG      GLU   9  -0.984  -8.323   9.507
   58    HG3  GLU   9           1HG      GLU   9  -1.480  -7.481  10.977
   59    H    LYS  10           H        LYS  10  -3.448  -6.900   6.576
   60    HA   LYS  10           HA       LYS  10  -2.090  -9.071   5.170
   61    HB2  LYS  10           2HB      LYS  10  -4.208  -8.752   3.635
   62    HB3  LYS  10           1HB      LYS  10  -4.425  -9.365   5.270
   63    HG2  LYS  10           2HG      LYS  10  -4.478  -6.428   5.085
   64    HG3  LYS  10           1HG      LYS  10  -5.767  -7.215   4.179
   65    HD2  LYS  10           2HD      LYS  10  -5.208  -8.195   6.950
   66    HD3  LYS  10           1HD      LYS  10  -6.042  -6.651   6.777
   67    HE2  LYS  10           2HE      LYS  10  -7.955  -7.846   6.513
   68    HE3  LYS  10           1HE      LYS  10  -7.322  -8.361   4.937
   69    HZ1  LYS  10           3HZ      LYS  10  -6.248 -10.219   5.940
   70    HZ2  LYS  10           1HZ      LYS  10  -7.845 -10.224   6.508
   71    HZ3  LYS  10           2HZ      LYS  10  -6.593  -9.666   7.506
   72    HA   HYP  11           HA       HYP  11  -0.126  -5.940   2.639
   73    HB2  HYP  11           1HB      HYP  11   1.907  -7.511   1.752
   74    HB3  HYP  11           2HB      HYP  11   1.880  -6.759   3.353
   75    HG   HYP  11           HG       HYP  11   2.053  -8.844   4.104
   76   HD22  HYP  11          1HD       HYP  11   0.041  -8.864   5.056
   77   HD23  HYP  11          2HD       HYP  11  -0.541  -9.822   3.685
   78    HD1  HYP  11           HOD      HYP  11   2.378  -9.716   1.977
   79    H    CYS  12           H        CYS  12   1.011  -6.281   0.273
   80    HA   CYS  12           HA       CYS  12  -0.702  -8.034  -1.425
   81    HB2  CYS  12           2HB      CYS  12  -1.738  -6.275  -2.536
   82    HB3  CYS  12           1HB      CYS  12  -1.566  -5.547  -0.942
   83    H    GLU  13           H        GLU  13   0.080  -7.377  -3.913
   84    HA   GLU  13           HA       GLU  13   2.953  -8.019  -3.969
   85    HB2  GLU  13           2HB      GLU  13   1.203  -9.056  -5.434
   86    HB3  GLU  13           1HB      GLU  13   0.943  -7.483  -6.192
   87    HG2  GLU  13           2HG      GLU  13   2.460  -8.481  -7.664
   88    HG3  GLU  13           1HG      GLU  13   3.537  -7.572  -6.606
   89    H    TYR  14           H        TYR  14   0.880  -5.286  -4.990
   90    HA   TYR  14           HA       TYR  14   3.327  -3.687  -5.611
   91    HB2  TYR  14           2HB      TYR  14   0.389  -3.178  -6.201
   92    HB3  TYR  14           1HB      TYR  14   1.745  -2.256  -6.845
   93    HD1  TYR  14           HD2      TYR  14   3.697  -4.175  -7.687
   94    HD2  TYR  14           HD1      TYR  14  -0.586  -4.445  -7.878
   95    HE1  TYR  14           HE2      TYR  14   3.886  -5.769  -9.578
   96    HE2  TYR  14           HE1      TYR  14  -0.398  -6.039  -9.775
   97    HH   TYR  14           HH       TYR  14   1.605  -7.762 -10.538
   98    H    HIS  15           H        HIS  15   1.077  -1.402  -5.165
   99    HA   HIS  15           HA       HIS  15   1.305  -1.265  -2.199
  100    HB2  HIS  15           2HB      HIS  15   3.141  -0.089  -3.730
  101    HB3  HIS  15           1HB      HIS  15   1.902   1.161  -3.834
  102    HD1  HIS  15           HD1      HIS  15   2.643   2.918  -2.250
  103    HD2  HIS  15           HD2      HIS  15   2.938  -0.896  -0.590
  104    HE1  HIS  15           HE1      HIS  15   3.321   3.243   0.161
  105    H    ALA  16           H        ALA  16  -0.840  -1.236  -4.686
  106    HA   ALA  16           HA       ALA  16  -2.474   0.984  -3.491
  107    HB1  ALA  16           3HB      ALA  16  -1.575   0.906  -5.968
  108    HB2  ALA  16           1HB      ALA  16  -3.221   1.454  -5.646
  109    HB3  ALA  16           2HB      ALA  16  -2.934  -0.192  -6.209
  110    H    ASP  17           H        ASP  17  -2.282  -2.246  -3.186
  111    HA   ASP  17           HA       ASP  17  -5.018  -3.075  -3.778
  112    HB2  ASP  17           2HB      ASP  17  -3.220  -4.681  -3.857
  113    HB3  ASP  17           1HB      ASP  17  -2.677  -4.236  -2.238
  114    H    CYS  18           H        CYS  18  -3.263  -1.976  -0.885
  115    HA   CYS  18           HA       CYS  18  -5.652  -2.401   0.834
  116    HB2  CYS  18           2HB      CYS  18  -2.756  -1.710   1.175
  117    HB3  CYS  18           1HB      CYS  18  -3.872  -1.229   2.451
  118    H    CYS  19           H        CYS  19  -6.219  -0.474   2.307
  119    HA   CYS  19           HA       CYS  19  -6.856   1.855   0.662
  120    HB2  CYS  19           2HB      CYS  19  -7.140   1.351   3.640
  121    HB3  CYS  19           1HB      CYS  19  -7.987   2.593   2.719
  122    H    ASN  20           H        ASN  20  -3.905   1.175   1.532
  123    HA   ASN  20           HA       ASN  20  -3.075   3.939   2.004
  124    HB2  ASN  20           2HB      ASN  20  -1.827   2.795   4.154
  125    HB3  ASN  20           1HB      ASN  20  -3.372   3.635   4.266
  126   HD21  ASN  20          1HD2      ASN  20  -5.062   2.432   5.115
  127   HD22  ASN  20          2HD2      ASN  20  -5.120   0.740   5.176
  128    H    CYS  21           H        CYS  21  -1.278   1.134   3.152
  129    HA   CYS  21           HA       CYS  21   0.447   1.140   0.684
  130    HB2  CYS  21           2HB      CYS  21   1.148   1.480   3.619
  131    HB3  CYS  21           1HB      CYS  21   2.345   0.943   2.446
  132    H    CYS  22           H        CYS  22   0.651  -1.031   0.009
  133    HA   CYS  22           HA       CYS  22   0.328  -3.128   2.134
  134    HB2  CYS  22           2HB      CYS  22  -0.588  -4.538   0.271
  135    HB3  CYS  22           1HB      CYS  22  -1.563  -3.116   0.618
  136    H    LEU  23           H        LEU  23   2.740  -2.931   2.406
  137    HA   LEU  23           HA       LEU  23   4.452  -3.686   0.145
  138    HB2  LEU  23           2HB      LEU  23   4.907  -3.499   3.144
  139    HB3  LEU  23           1HB      LEU  23   6.189  -3.746   1.959
  140    HG   LEU  23           HG       LEU  23   4.858  -1.565   0.919
  141   HD11  LEU  23          1HD1      LEU  23   3.787  -0.415   2.522
  142   HD12  LEU  23          2HD1      LEU  23   5.185  -0.511   3.590
  143   HD13  LEU  23          3HD1      LEU  23   3.989  -1.807   3.585
  144   HD21  LEU  23          3HD2      LEU  23   6.795  -0.281   1.726
  145   HD22  LEU  23          1HD2      LEU  23   7.310  -1.873   1.167
  146   HD23  LEU  23          2HD2      LEU  23   7.164  -1.549   2.895
  147    H    SER  24           H        SER  24   5.549  -5.718  -0.052
  148    HA   SER  24           HA       SER  24   4.122  -8.072   0.192
  149    HB2  SER  24           2HB      SER  24   6.720  -8.917   0.562
  150    HB3  SER  24           1HB      SER  24   6.013  -8.488  -0.990
  151    HG   SER  24           HG       SER  24   7.621  -7.092  -0.962
  152    H    GLY  25           H        GLY  25   6.224  -6.690   2.690
  153    HA2  GLY  25           2HA      GLY  25   6.065  -8.874   4.524
  154    HA3  GLY  25           1HA      GLY  25   6.459  -7.213   4.963
  155    H    ILE  26           H        ILE  26   4.164  -5.814   4.435
  156    HA   ILE  26           HA       ILE  26   1.750  -7.160   5.361
  157    HB   ILE  26           HB       ILE  26   3.763  -6.259   7.250
  158   HG12  ILE  26          2HG1      ILE  26   1.059  -7.343   7.985
  159   HG13  ILE  26          1HG1      ILE  26   2.217  -8.369   7.137
  160   HG21  ILE  26          1HG2      ILE  26   1.006  -5.035   7.612
  161   HG22  ILE  26          2HG2      ILE  26   2.485  -4.135   7.273
  162   HG23  ILE  26          3HG2      ILE  26   2.312  -5.008   8.795
  163   HD11  ILE  26          3HD1      ILE  26   3.001  -6.820   9.604
  164   HD12  ILE  26          1HD1      ILE  26   3.803  -8.217   8.890
  165   HD13  ILE  26          2HD1      ILE  26   2.259  -8.416   9.722
  166    H    CYS  27           H        CYS  27  -0.073  -5.578   5.627
  167    HA   CYS  27           HA       CYS  27   0.335  -3.199   3.915
  168    HB2  CYS  27           2HB      CYS  27  -1.892  -4.860   4.888
  169    HB3  CYS  27           1HB      CYS  27  -2.272  -3.137   4.826
  170    H    ALA  28           H        ALA  28   0.279  -1.071   4.649
  171    HA   ALA  28           HA       ALA  28  -0.180  -0.610   7.566
  172    HB1  ALA  28           3HB      ALA  28   2.084  -0.491   7.787
  173    HB2  ALA  28           1HB      ALA  28   2.002   0.986   6.828
  174    HB3  ALA  28           2HB      ALA  28   2.314  -0.559   6.035
  175    HA   HYP  29           HA       HYP  29  -2.289   3.013   6.189
  176    HB2  HYP  29           1HB      HYP  29  -1.740   4.756   8.235
  177    HB3  HYP  29           2HB      HYP  29  -2.871   3.397   8.398
  178    HG   HYP  29           HG       HYP  29   0.000   3.575   9.177
  179   HD22  HYP  29          1HD       HYP  29  -1.387   0.936   8.912
  180   HD23  HYP  29          2HD       HYP  29   0.349   1.321   8.833
  181    HD1  HYP  29           HOD      HYP  29  -0.908   2.422  11.027
  182    H    SER  30           H        SER  30  -1.880   5.016   5.116
  183    HA   SER  30           HA       SER  30   0.983   5.575   4.544
  184    HB2  SER  30           2HB      SER  30  -1.484   6.816   3.310
  185    HB3  SER  30           1HB      SER  30   0.118   6.679   2.600
  186    HG   SER  30           HG       SER  30  -0.497   4.821   1.853
  187    H    THR  31           H        THR  31  -1.078   6.630   6.895
  188    HA   THR  31           HA       THR  31  -0.719   9.522   6.642
  189    HB   THR  31           HB       THR  31  -1.573   7.749   8.966
  190    HG1  THR  31           HG1      THR  31  -3.504   7.797   8.086
  191   HG21  THR  31          3HG2      THR  31  -2.653   9.799   9.802
  192   HG22  THR  31          1HG2      THR  31  -1.987  10.704   8.445
  193   HG23  THR  31          2HG2      THR  31  -0.908  10.018   9.662
  194    H    ASN  32           H        ASN  32   1.709   9.278   6.344
  195    HA   ASN  32           HA       ASN  32   3.239   8.574   8.780
  196    HB2  ASN  32           2HB      ASN  32   4.106   9.566   6.037
  197    HB3  ASN  32           1HB      ASN  32   5.156   8.841   7.256
  198   HD21  ASN  32          1HD2      ASN  32   3.903   6.588   8.098
  199   HD22  ASN  32          2HD2      ASN  32   3.517   5.559   6.805
  200    H    TRP  33           H        TRP  33   5.309  10.335   8.738
  201    HA   TRP  33           HA       TRP  33   4.117  13.073   8.988
  202    HB2  TRP  33           2HB      TRP  33   5.836  13.021  11.095
  203    HB3  TRP  33           1HB      TRP  33   4.138  12.598  11.245
  204    HD1  TRP  33           HD1      TRP  33   3.652   9.843  10.805
  205    HE1  TRP  33           HE1      TRP  33   4.991   7.848  11.761
  206    HE3  TRP  33           HE3      TRP  33   8.035  12.191  11.947
  207    HZ2  TRP  33           HZ2      TRP  33   7.574   7.329  12.863
  208    HZ3  TRP  33           HZ3      TRP  33   9.916  10.929  12.946
  209    HH2  TRP  33           HH2      TRP  33   9.693   8.501  13.408
  210    H    ILE  34           H        ILE  34   7.255  11.445   9.532
  211    HA   ILE  34           HA       ILE  34   8.580  13.578   7.920
  212    HB   ILE  34           HB       ILE  34   9.550  11.481   9.888
  213   HG12  ILE  34          2HG1      ILE  34   9.583  14.515   9.952
  214   HG13  ILE  34          1HG1      ILE  34   8.420  13.501  10.804
  215   HG21  ILE  34          1HG2      ILE  34  11.292  11.703   8.218
  216   HG22  ILE  34          2HG2      ILE  34  11.788  12.635   9.632
  217   HG23  ILE  34          3HG2      ILE  34  11.132  13.458   8.217
  218   HD11  ILE  34          3HD1      ILE  34  11.185  14.149  11.504
  219   HD12  ILE  34          1HD1      ILE  34  10.860  12.417  11.546
  220   HD13  ILE  34          2HD1      ILE  34   9.888  13.520  12.522
  221    H    LEU  35           H        LEU  35   8.104  10.109   8.124
  222    HA   LEU  35           HA       LEU  35   9.831   9.281   5.986
  223    HB2  LEU  35           2HB      LEU  35   7.269   8.147   7.161
  224    HB3  LEU  35           1HB      LEU  35   8.307   7.263   6.042
  225    HG   LEU  35           HG       LEU  35   9.899   8.383   8.182
  226   HD11  LEU  35          1HD1      LEU  35   8.010   8.298   9.627
  227   HD12  LEU  35          2HD1      LEU  35   8.920   6.824   9.958
  228   HD13  LEU  35          3HD1      LEU  35   7.471   6.758   8.954
  229   HD21  LEU  35          3HD2      LEU  35  10.358   5.882   8.498
  230   HD22  LEU  35          1HD2      LEU  35  10.712   6.543   6.903
  231   HD23  LEU  35          2HD2      LEU  35   9.234   5.615   7.164
  232    HA   PRO  36           HA       PRO  36   7.414  10.989   2.655
  233    HB2  PRO  36           2HB      PRO  36   8.843   9.887   0.596
  234    HB3  PRO  36           1HB      PRO  36   9.410  11.288   1.525
  235    HG2  PRO  36           2HG      PRO  36  10.199   8.427   1.736
  236    HG3  PRO  36           1HG      PRO  36  11.191   9.885   1.900
  237    HD2  PRO  36           2HD      PRO  36  10.280   8.404   4.017
  238    HD3  PRO  36           1HD      PRO  36  10.678  10.134   4.117
  239    H    GLY  37           H        GLY  37   5.869   9.146   3.705
  240    HA2  GLY  37           2HA      GLY  37   4.152   7.652   3.070
  241    HA3  GLY  37           1HA      GLY  37   4.818   7.646   1.438
  242    H    CYS  38           H        CYS  38   4.678   5.350   1.268
  243    HA   CYS  38           HA       CYS  38   6.556   3.832   3.060
  244    HB2  CYS  38           2HB      CYS  38   4.439   2.503   1.430
  245    HB3  CYS  38           1HB      CYS  38   5.042   2.083   3.026
  246    H    SER  39           H        SER  39   7.862   5.042   1.050
  247    HA   SER  39           HA       SER  39   7.859   3.806  -1.531
  248    HB2  SER  39           2HB      SER  39  10.400   4.701  -1.267
  249    HB3  SER  39           1HB      SER  39   9.044   5.792  -1.513
  250    HG   SER  39           HG       SER  39  10.581   5.306   0.752
  251    H    THR  40           H        THR  40   8.593   1.777  -2.123
  252    HA   THR  40           HA       THR  40  10.488   0.372  -0.272
  253    HB   THR  40           HB       THR  40   8.066  -0.358  -0.228
  254    HG1  THR  40           HG1      THR  40   9.896  -2.264  -1.264
  255   HG21  THR  40          3HG2      THR  40   8.703  -1.069  -3.099
  256   HG22  THR  40          1HG2      THR  40   7.394  -0.046  -2.505
  257   HG23  THR  40          2HG2      THR  40   7.365  -1.782  -2.202
  258    H    SER  41           H        SER  41  10.835   1.963  -2.921
  259    HA   SER  41           HA       SER  41  11.566  -0.007  -4.933
  260    HB2  SER  41           2HB      SER  41  12.818   2.643  -5.089
  261    HB3  SER  41           1HB      SER  41  11.698   1.875  -6.210
  262    HG   SER  41           HG       SER  41  10.667   3.633  -5.313
  263    H    SER  42           H        SER  42  12.874  -1.193  -3.052
  264    HA   SER  42           HA       SER  42  15.661  -0.100  -2.906
  265    HB2  SER  42           2HB      SER  42  14.007  -0.833  -0.925
  266    HB3  SER  42           1HB      SER  42  14.688  -2.415  -1.289
  267    HG   SER  42           HG       SER  42  16.249  -1.722  -0.043
  268    H    PHE  43           H        PHE  43  17.329  -1.303  -3.827
  269    HA   PHE  43           HA       PHE  43  16.628  -3.510  -5.602
  270    HB2  PHE  43           2HB      PHE  43  18.621  -1.560  -5.426
  271    HB3  PHE  43           1HB      PHE  43  19.481  -3.059  -5.073
  272    HD1  PHE  43           HD1      PHE  43  16.649  -2.115  -7.369
  273    HD2  PHE  43           HD2      PHE  43  20.519  -3.934  -6.957
  274    HE1  PHE  43           HE1      PHE  43  16.626  -2.707  -9.777
  275    HE2  PHE  43           HE2      PHE  43  20.494  -4.526  -9.366
  276    HZ   PHE  43           HZ       PHE  43  18.549  -3.909 -10.775
  277    H    PHE  44           H        PHE  44  15.798  -4.986  -3.952
  278    HA   PHE  44           HA       PHE  44  17.330  -6.001  -1.771
  279    HB2  PHE  44           2HB      PHE  44  15.520  -7.499  -1.547
  280    HB3  PHE  44           1HB      PHE  44  14.796  -6.130  -2.379
  281    HD1  PHE  44           HD2      PHE  44  15.373  -6.349  -5.137
  282    HD2  PHE  44           HD1      PHE  44  14.752  -9.536  -2.325
  283    HE1  PHE  44           HE2      PHE  44  14.699  -7.850  -6.988
  284    HE2  PHE  44           HE1      PHE  44  14.076 -11.038  -4.179
  285    HZ   PHE  44           HZ       PHE  44  14.049 -10.193  -6.510
  286    H    LYS  45           H        LYS  45  17.889  -8.473  -1.725
  287    HA   LYS  45           HA       LYS  45  19.608  -9.052  -4.111
  288    HB2  LYS  45           2HB      LYS  45  21.163  -9.883  -2.599
  289    HB3  LYS  45           1HB      LYS  45  20.350  -8.714  -1.557
  290    HG2  LYS  45           2HG      LYS  45  18.882 -10.477  -0.680
  291    HG3  LYS  45           1HG      LYS  45  19.620 -11.657  -1.764
  292    HD2  LYS  45           2HD      LYS  45  21.686 -11.596  -0.613
  293    HD3  LYS  45           1HD      LYS  45  21.263 -10.112   0.244
  294    HE2  LYS  45           2HE      LYS  45  21.088 -12.282   1.608
  295    HE3  LYS  45           1HE      LYS  45  19.645 -11.251   1.604
  296    HZ1  LYS  45           3HZ      LYS  45  18.562 -12.617   0.093
  297    HZ2  LYS  45           1HZ      LYS  45  19.389 -13.753   1.035
  298    HZ3  LYS  45           2HZ      LYS  45  19.994 -13.319  -0.492
  299    H    ILE  46           H        ILE  46  20.109 -11.681  -3.808
  300    HA   ILE  46           HA       ILE  46  17.525 -12.989  -4.438
  301    HB   ILE  46           HB       ILE  46  20.417 -13.915  -4.573
  302   HG12  ILE  46          2HG1      ILE  46  18.727 -13.019  -6.913
  303   HG13  ILE  46          1HG1      ILE  46  19.675 -11.859  -5.985
  304   HG21  ILE  46          1HG2      ILE  46  18.388 -15.590  -4.593
  305   HG22  ILE  46          2HG2      ILE  46  19.673 -15.771  -5.786
  306   HG23  ILE  46          3HG2      ILE  46  18.154 -14.996  -6.237
  307   HD11  ILE  46          3HD1      ILE  46  20.780 -12.955  -8.065
  308   HD12  ILE  46          1HD1      ILE  46  20.943 -14.379  -7.035
  309   HD13  ILE  46          2HD1      ILE  46  21.717 -12.864  -6.573