*HEADER    ANTIMICROBIAL PROTEIN                   01-AUG-19   6Q08              
*TITLE     SYNOECA PEPTIDE WAS ISOLATED FROM THE VENOM OF WASP SYNOECA SURINAMA. 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SYNOECA PEPTIDE;                                           
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SYNOECA SURINAMA;                               
*SOURCE   3 ORGANISM_TAXID: 1620924                                              
*KEYWDS    ANTIMICROBIAL, PEPTIDE STRUCTURE, ANTIMICROBIAL PROTEIN               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    E.S.ALVES,L.V.RODRIGUES,L.M.LIAO                                      
*REVDAT   1   05-AUG-20 6Q08    0                                                
# Restraints file 1: synoeca_13.tbl
!aa1
assign (resid 1 and name HT#) (resid 1 and name HA)  5.00 3.20 0.0 ! 	 501_14.76
assign (resid 1 and name HT#) (resid 1 and name HB)  3.40 1.60 0.0 ! 	 501_14.133
assign (resid 1 and name HT#) (resid 1 and name HD1#)  5.00 3.20 0.0 ! 	 501_14.134
assign (resid 1 and name HT#) (resid 1 and name HG2#)  5.00 3.20 0.0 ! 	 501_14.135
assign (resid 1 and name HB) (resid 1 and name HT#)  3.40 1.60 0.0 ! 	 501_14.179
assign (resid 1 and name HB) (resid 2 and name HN)  2.80 1.00 0.0 ! 	 501_14.183
assign (resid 1 and name HG2#) (resid 1 and name HA)  2.80 1.00 0.0 ! 	 501_14.299

!aa2
assign (resid 2 and name HN) (resid 2 and name HA)  5.00 3.20 0.0 ! 	 501_14.4
assign (resid 2 and name HN) (resid 2 and name HB#)  5.00 3.20 0.0 ! 	 501_14.5
!duplicadoassign (resid 2 and name HN) (resid 2 and name HB#)  5.00 3.20 0.0 ! 	 501_14.6
assign (resid 2 and name HN) (resid 3 and name HN)  5.00 3.20 0.0 ! 	 501_14.11
!duplicadoassign (resid 2 and name HB#) (resid 2 and name HA)  5.00 3.20 0.0 ! 	 501_14.66
assign (resid 2 and name HB#) (resid 2 and name HA)  5.00 3.20 0.0 ! 	 501_14.67
!assign (resid 2 and name HN) (resid 3 and name HE1)  3.40 1.60 0.0 ! 	 501_14.137

!aa3
!assign (resid 3 and name HE3) (resid 3 and name HB1)  5.00 3.20 0.0 ! 	 501_14.0
!assign (resid 3 and name HE3) (resid 3 and name HB#)  5.00 3.20 0.0 ! 	 501_14.1
assign (resid 3 and name HN) (resid 4 and name HN)  5.00 3.20 0.0 ! 	 501_14.13
assign (resid 3 and name HN) (resid 2 and name HA)  5.00 3.20 0.0 ! 	 501_14.18
assign (resid 3 and name HN) (resid 3 and name HA)  3.40 1.60 0.0 ! 	 501_14.34
assign (resid 3 and name HN) (resid 3 and name HB1)  5.00 3.20 0.0 ! 	 501_14.53
assign (resid 3 and name HN) (resid 3 and name HB#)  5.00 3.20 0.0 ! 	 501_14.54
!assign (resid 3 and name HE3) (resid 3 and name HA)  5.00 3.20 0.0 ! 	 501_14.48
assign (resid 3 and name HN) (resid 2 and name HN)  5.00 3.20 0.0 ! 	 501_14.57
assign (resid 3 and name HB1) (resid 3 and name HA)  5.00 3.20 0.0 ! 	 501_14.62
assign (resid 3 and name HB2) (resid 3 and name HA)  5.00 3.20 0.0 ! 	 501_14.63
!assign (resid 3 and name HN) (resid 1 and name HA)  5.00 3.20 0.0 ! 	 501_14.77
!77 + de 5A
!assign (resid 3 and name HE1) (resid 2 and name HN)  3.40 1.60 0.0 ! 	 501_14.84
!assign (resid 3 and name HE1) (resid 3 and name HB1)  5.00 3.20 0.0 ! 	 501_14.86
!assign (resid 3 and name HE1) (resid 3 and name HB#)  5.00 3.20 0.0 ! 	 501_14.87
!assign (resid 3 and name HE1) (resid 3 and name HA)  5.00 3.20 0.0 ! 	 501_14.88
assign (resid 3 and name HA) (resid 3 and name HN)  5.00 3.20 0.0 ! 	 501_14.151
!testeassign (resid 3 and name HN) (resid 6 and name HD##)  5.00 3.20 0.0 ! 	 501_14.222
assign (resid 3 and name HE3) (resid 4 and name HD##)  5.00 3.20 0.0 ! 	 501_14.228
!assign (resid 3 and name HA) (resid 5 and name HD#)  5.00 3.20 0.0 ! 	 501_14.259
!talvez tirar 259
!aa4
assign (resid 4 and name HN) (resid 3 and name HB1)  5.00 3.20 0.0 ! 	 501_14.7
assign (resid 4 and name HN) (resid 3 and name HB#)  5.00 3.20 0.0 ! 	 501_14.8
assign (resid 4 and name HN) (resid 5 and name HN)  5.00 3.20 0.0 ! 	 501_14.9
assign (resid 4 and name HN) (resid 3 and name HN)  5.00 3.20 0.0 ! 	 501_14.12
!diminuiu viol angungulo_assign (resid 4 and name HN) (resid 2 and name HB#)  5.00 3.20 0.0 ! 	 501_14.14
assign (resid 4 and name HN) (resid 4 and name HA)  3.40 1.60 0.0 ! 	 501_14.39
assign (resid 4 and name HB#) (resid 4 and name HA)  3.40 1.60 0.0 ! 	 501_14.94
!duplicadoassign (resid 4 and name HB#) (resid 4 and name HA)  2.80 1.00 0.0 ! 	 501_14.95
assign (resid 4 and name HN) (resid 4 and name HB#)  5.00 3.20 0.0 ! 	 501_14.102
!assign (resid 4 and name HB#) (resid 3 and name HN)  5.00 3.20 0.0 ! 	 501_14.178
!178 violou + de 5A
assign (resid 4 and name HB#) (resid 5 and name HN)  5.00 3.20 0.0 ! 	 501_14.184]
assign (resid 4 and name HD##) (resid 4 and name HA)  5.00 3.20 0.0 ! 	 501_14.196
!duplicadoassign (resid 4 and name HD##) (resid 4 and name HA)  2.80 1.00 0.0 ! 	 501_14.197
assign (resid 4 and name HB#) (resid 5 and name HE#)  2.80 1.00 0.0 ! 	 501_14.200
!duplicadoassign (resid 4 and name HA) (resid 4 and name HB#)  3.40 1.60 0.0 ! 	 501_14.253
assign (resid 4 and name HA) (resid 4 and name HB#)  5.00 3.20 0.0 ! 	 501_14.254
assign (resid 4 and name HA) (resid 4 and name HD##)  5.00 3.20 0.0 ! 	 501_14.262
assign (resid 4 and name HB#) (resid 4 and name HD##)  2.80 1.00 0.0 ! 	 501_14.275
!assign (resid 4 and name HB#) (resid 5 and name HG#)  5.00 3.20 0.0 ! 	 501_14.283
!283 + q 5A
assign (resid 4 and name HD##) (resid 4 and name HB#)  2.80 1.00 0.0 ! 	 501_14.286
assign (resid 4 and name HD##) (resid 5 and name HD#)  5.00 3.20 0.0 ! 	 501_14.287
!talvez aumentar 287
assign (resid 4 and name HN) (resid 4 and name HD##)  3.40 1.60 0.0 ! 	 501_14.297
assign (resid 4 and name HN) (resid 5 and name HD#)  5.00 3.20 0.0 ! 	 501_14.298

!aa5
assign (resid 5 and name HN) (resid 4 and name HN)  5.00 3.20 0.0 ! 	 501_14.10
assign (resid 5 and name HN) (resid 3 and name HA)  5.00 3.20 0.0 ! 	 501_14.49
assign (resid 5 and name HN) (resid 5 and name HA)  3.40 1.60 0.0 ! 	 501_14.50
!assign (resid 5 and name HN) (resid 3 and name HB1)  5.00 3.20 0.0 ! 	 501_14.51
!talvez tirar 51
!testeassign (resid 5 and name HN) (resid 3 and name HB#)  5.00 3.20 0.0 ! 	 501_14.52
!52
assign (resid 5 and name HN) (resid 6 and name HN)  5.00 3.20 0.0 ! 	 501_14.89
assign (resid 5 and name HN) (resid 5 and name HB#)  3.40 1.60 0.0 ! 	 501_14.104
assign (resid 5 and name HN) (resid 5 and name HG#)  5.00 3.20 0.0 ! 	 501_14.105
assign (resid 5 and name HB#) (resid 5 and name HA)  2.80 1.00 0.0 ! 	 501_14.115
!duplicadoassign (resid 5 and name HB#) (resid 5 and name HA)  2.80 1.00 0.0 ! 	 501_14.116
assign (resid 5 and name HA) (resid 5 and name HN)  5.00 3.20 0.0 ! 	 501_14.148
!assign (resid 5 and name HA) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 501_14.165
!!!!Não_pode_assign (resid 5 and name HA) (resid 4 and name HN)  5.00 3.20 0.0 ! 	 501_14.170
assign (resid 5 and name HB#) (resid 6 and name HN)  3.40 1.60 0.0 ! 	 501_14.181
assign (resid 5 and name HD#) (resid 5 and name HE#)  3.40 1.60 0.0 ! 	 501_14.201
assign (resid 5 and name HA) (resid 5 and name HB#)  2.80 1.00 0.0 ! 	 501_14.247
!assign (resid 5 and name HA) (resid 6 and name HB2)  5.00 3.20 0.0 ! 	 501_14.248
!248 maior 5A
!testeassign (resid 5 and name HA) (resid 9 and name HG1)  3.40 1.60 0.0 ! 	 501_14.252
assign (resid 5 and name HE#) (resid 4 and name HB#)  2.80 1.00 0.0 ! 	 501_14.272
assign (resid 5 and name HD#) (resid 4 and name HD##)  5.00 3.20 0.0 ! 	 501_14.279
!aa6
assign (resid 6 and name HN) (resid 6 and name HA)  5.00 3.20 0.0 ! 	 501_14.37
assign (resid 6 and name HN) (resid 7 and name HN)  5.00 3.20 0.0 ! 	 501_14.71
assign (resid 6 and name HN) (resid 5 and name HA)  5.00 3.20 0.0 ! 	 501_14.75
assign (resid 6 and name HN) (resid 5 and name HN)  5.00 3.20 0.0 ! 	 501_14.90
assign (resid 6 and name HN) (resid 6 and name HB1)  3.40 1.60 0.0 ! 	 501_14.101
!101
assign (resid 6 and name HB1) (resid 6 and name HA)  3.40 1.60 0.0 ! 	 501_14.111
assign (resid 6 and name HB2) (resid 6 and name HA)  5.00 3.20 0.0 ! 	 501_14.112
assign (resid 6 and name HA) (resid 6 and name HN)  5.00 3.20 0.0 ! 	 501_14.166
!duplicadoassign (resid 6 and name HD##) (resid 6 and name HA)  3.40 1.60 0.0 ! 	 501_14.193
assign (resid 6 and name HD##) (resid 6 and name HA)  5.00 3.20 0.0 ! 	 501_14.194
assign (resid 6 and name HA) (resid 6 and name HB1)  5.00 3.20 0.0 ! 	 501_14.255
assign (resid 6 and name HA) (resid 6 and name HB2)  5.00 3.20 0.0 ! 	 501_14.256
assign (resid 6 and name HA) (resid 6 and name HD##)  5.00 3.20 0.0 ! 	 501_14.261
assign (resid 6 and name HB2) (resid 6 and name HD##)  3.40 1.60 0.0 ! 	 501_14.277
assign (resid 6 and name HB1) (resid 6 and name HD##)  3.40 1.60 0.0 ! 	 501_14.278
assign (resid 6 and name HD##) (resid 6 and name HB1)  3.40 1.60 0.0 ! 	 501_14.288
assign (resid 6 and name HD##) (resid 6 and name HB2)  3.40 1.60 0.0 ! 	 501_14.289
!aa7
assign (resid 7 and name HN) (resid 6 and name HA)  5.00 3.20 0.0 ! 	 501_14.24
assign (resid 7 and name HN) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 501_14.26
assign (resid 7 and name HN) (resid 6 and name HN)  5.00 3.20 0.0 ! 	 501_14.70
assign (resid 7 and name HN) (resid 4 and name HA)  5.00 3.20 0.0 ! 	 501_14.79
assign (resid 7 and name HN) (resid 5 and name HA)  5.00 3.20 0.0 ! 	 501_14.80
assign (resid 7 and name HN) (resid 7 and name HA#)  2.80 1.00 0.0 ! 	 501_14.106
!duplicadoassign (resid 7 and name HN) (resid 7 and name HA#)  2.80 1.00 0.0 ! 	 501_14.107
assign (resid 7 and name HA#) (resid 8 and name HN)  5.00 3.20 0.0 ! 	 501_14.149
assign (resid 7 and name HA#) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 501_14.158
!duplicadoassign (resid 7 and name HA#) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 501_14.162
assign (resid 7 and name HA#) (resid 7 and name HN)  2.80 1.00 0.0 ! 	 501_14.163
assign (resid 7 and name HN) (resid 8 and name HD#)  5.00 3.20 0.0 ! 	 501_14.214
assign (resid 7 and name HN) (resid 6 and name HB2)  5.00 3.20 0.0 ! 	 501_14.215
!assign (resid 7 and name HN) (resid 4 and name HD##)  5.00 3.20 0.0 ! 	 501_14.216
!216 violou + 5A
assign (resid 7 and name HA#) (resid 6 and name HB2)  5.00 3.20 0.0 ! 	 501_14.246

!aa8
assign (resid 8 and name HN) (resid 8 and name HA)  5.00 3.20 0.0 ! 	 501_14.38
assign (resid 8 and name HN) (resid 10 and name HN)  5.00 3.20 0.0 ! 	 501_14.44
assign (resid 8 and name HN) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 501_14.56
assign (resid 8 and name HB#) (resid 8 and name HA)  3.40 1.60 0.0 ! 	 501_14.110
assign (resid 8 and name HN) (resid 8 and name HB#)  3.40 1.60 0.0 ! 	 501_14.131
assign (resid 8 and name HB#) (resid 10 and name HN)  5.00 3.20 0.0 ! 	 501_14.172
!!172
assign (resid 8 and name HD#) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 501_14.177
!aumentei p 5A 177 deixou de violar angulo
assign (resid 8 and name HD#) (resid 7 and name HA#)   5.00 3.20 0.0 ! 	 501_14.202
assign (resid 8 and name HA) (resid 8 and name HB#)  3.40 1.60 0.0 ! 	 501_14.257
assign (resid 8 and name HA) (resid 8 and name HD#)  5.00 3.20 0.0 ! 	 501_14.264
!assign (resid 8 and name HN) (resid 9 and name HB1)  5.00 3.20 0.0 ! 	 501_14.295
assign (resid 8 and name HA) (resid 9 and name HD2)  5.00 3.20 0.0 ! 	 501_14.303
!aa9
assign (resid 9 and name HN) (resid 7 and name HN)  5.00 3.20 0.0 ! 	 501_14.27
assign (resid 9 and name HN) (resid 10 and name HN)  5.00 3.20 0.0 ! 	 501_14.28
assign (resid 9 and name HN) (resid 9 and name HA)  3.40 1.60 0.0 ! 	 501_14.45
assign (resid 9 and name HN) (resid 7 and name HA#)  5.00 3.20 0.0 ! 	 501_14.46
assign (resid 9 and name HN) (resid 8 and name HA)  5.00 3.20 0.0 ! 	 501_14.47
assign (resid 9 and name HN) (resid 8 and name HN)  5.00 3.20 0.0 ! 	 501_14.55
assign (resid 9 and name HB2) (resid 9 and name HA)  3.40 1.60 0.0 ! 	 501_14.113
assign (resid 9 and name HD1) (resid 9 and name HA)  5.00 3.20 0.0 ! 	 501_14.114
assign (resid 9 and name HN) (resid 9 and name HB2)  3.40 1.60 0.0 ! 	 501_14.128
assign (resid 9 and name HN) (resid 9 and name HD2)  3.40 1.60 0.0 ! 	 501_14.129
assign (resid 9 and name HN) (resid 9 and name HG2)  5.00 3.20 0.0 ! 	 501_14.130
assign (resid 9 and name HA) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 501_14.164
assign (resid 9 and name HD2) (resid 8 and name HN)  5.00 3.20 0.0 ! 	 501_14.182
assign (resid 9 and name HN) (resid 10 and name HD1#)  5.00 3.20 0.0 ! 	 501_14.217
assign (resid 9 and name HN) (resid 8 and name HB#)  5.00 3.20 0.0 ! 	 501_14.223
assign (resid 9 and name HN) (resid 8 and name HD#)  5.00 3.20 0.0 ! 	 501_14.224
assign (resid 9 and name HA) (resid 9 and name HD1)  5.00 3.20 0.0 ! 	 501_14.249
assign (resid 9 and name HA) (resid 9 and name HB1)  3.40 1.60 0.0 ! 	 501_14.251
assign (resid 9 and name HE2) (resid 9 and name HG2)  3.40 1.60 0.0 ! 	 501_14.271
assign (resid 9 and name HB2) (resid 10 and name HD1#)  2.80 1.00 0.0 ! 	 501_14.274
assign (resid 9 and name HD1) (resid 9 and name HG1)  3.40 1.60 0.0 ! 	 501_14.280
assign (resid 9 and name HB2) (resid 9 and name HD2)  2.80 1.00 0.0 ! 	 501_14.281
assign (resid 9 and name HD2) (resid 9 and name HB2)  2.80 1.00 0.0 ! 	 501_14.284
!aa10
assign (resid 10 and name HN) (resid 10 and name HA)  3.40 1.60 0.0 ! 	 501_14.25
assign (resid 10 and name HN) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 501_14.29
assign (resid 10 and name HN) (resid 9 and name HA)  5.00 3.20 0.0 ! 	 501_14.81
assign (resid 10 and name HN) (resid 8 and name HN)  5.00 3.20 0.0 ! 	 501_14.91
assign (resid 10 and name HN) (resid 10 and name HG2#)  5.00 3.20 0.0 ! 	 501_14.126
assign (resid 10 and name HN) (resid 10 and name HD1#)  5.00 3.20 0.0 ! 	 501_14.127
assign (resid 10 and name HA) (resid 13 and name HN)  5.00 3.20 0.0 ! 	 501_14.150
assign (resid 10 and name HA) (resid 10 and name HN)  3.40 1.60 0.0 ! 	 501_14.161
assign (resid 10 and name HB) (resid 13 and name HN)  5.00 3.20 0.0 ! 	 501_14.171
assign (resid 10 and name HN) (resid 10 and name HB)  2.80 1.00 0.0 ! 	 501_14.219
assign (resid 10 and name HA) (resid 9 and name HB1)  5.00 3.20 0.0 ! 	 501_14.238
assign (resid 10 and name HA) (resid 9 and name HB2)  5.00 3.20 0.0 ! 	 501_14.239
assign (resid 10 and name HA) (resid 10 and name HB)  5.00 3.20 0.0 ! 	 501_14.240
!assign (resid 10 and name HA) (resid 8 and name HB#)  5.00 3.20 0.0 ! 	 501_14.241
!241
assign (resid 10 and name HA) (resid 10 and name HG2#)  3.40 1.60 0.0 ! 	 501_14.267
assign (resid 10 and name HA) (resid 10 and name HD1#)  3.40 1.60 0.0 ! 	 501_14.269
assign (resid 10 and name HD1#) (resid 9 and name HB2)  2.80 1.00 0.0 ! 	 501_14.285
!assign (resid 10 and name HD1#) (resid 8 and name HB#)  2.80 1.00 0.0 ! 	 501_14.293
assign (resid 10 and name HN) (resid 9 and name HD2)  5.00 3.20 0.0 ! 	 501_14.294
assign (resid 10 and name HD1#) (resid 10 and name HA)  5.00 3.20 0.0 ! 	 501_14.301
!aa11
assign (resid 11 and name HN) (resid 12 and name HN)  5.00 3.20 0.0 ! 	 501_14.16
assign (resid 11 and name HN) (resid 11 and name HA)  5.00 3.20 0.0 ! 	 501_14.43
assign (resid 11 and name HN) (resid 10 and name HA)  5.00 3.20 0.0 ! 	 501_14.78
assign (resid 11 and name HN) (resid 8 and name HA)  5.00 3.20 0.0 ! 	 501_14.82
assign (resid 11 and name HN) (resid 9 and name HA)  5.00 3.20 0.0 ! 	 501_14.83
assign (resid 11 and name HN) (resid 11 and name HB)  3.40 1.60 0.0 ! 	 501_14.97
assign (resid 11 and name HB) (resid 11 and name HA)  3.40 1.60 0.0 ! 	 501_14.117
assign (resid 11 and name HN) (resid 11 and name HG2#)  5.00 3.20 0.0 ! 	 501_14.124
assign (resid 11 and name HN) (resid 11 and name HD1#)  5.00 3.20 0.0 ! 	 501_14.125
assign (resid 11 and name HA) (resid 11 and name HN)  3.40 1.60 0.0 ! 	 501_14.160
assign (resid 11 and name HB) (resid 10 and name HN)  5.00 3.20 0.0 ! 	 501_14.173
!assign (resid 11 and name HB) (resid 9 and name HN)  5.00 3.20 0.0 ! 	 501_14.174
assign (resid 11 and name HB) (resid 13 and name HN)  5.00 3.20 0.0 ! 	 501_14.180
assign (resid 11 and name HN) (resid 10 and name HB)  5.00 3.20 0.0 ! 	 501_14.220
assign (resid 11 and name HA) (resid 10 and name HB)  5.00 3.20 0.0 ! 	 501_14.243
assign (resid 11 and name HA) (resid 11 and name HB)  3.40 1.60 0.0 ! 	 501_14.244
assign (resid 11 and name HA) (resid 10 and name HG2#)  5.00 3.20 0.0 ! 	 501_14.268
assign (resid 11 and name HA) (resid 11 and name HG2#)  3.40 1.60 0.0 ! 	 501_14.270
!assign (resid 11 and name HB) (resid 10 and name HA)  5.00 3.20 0.0 ! 	 501_14.300
!300 maior q 5A
!aa12
assign (resid 12 and name HN) (resid 13 and name HN)  5.00 3.20 0.0 ! 	 501_14.15
assign (resid 12 and name HN) (resid 11 and name HN)  5.00 3.20 0.0 ! 	 501_14.17
assign (resid 12 and name HN) (resid 12 and name HA)  5.00 3.20 0.0 ! 	 501_14.19
assign (resid 12 and name HN) (resid 11 and name HB)  5.00 3.20 0.0 ! 	 501_14.20
assign (resid 12 and name HN) (resid 9 and name HA)  5.00 3.20 0.0 ! 	 501_14.22
assign (resid 12 and name HN) (resid 11 and name HA)  5.00 3.20 0.0 ! 	 501_14.23
assign (resid 12 and name HN) (resid 12 and name HB#)  3.40 1.60 0.0 ! 	 501_14.98
assign (resid 12 and name HB#) (resid 13 and name HN)  3.40 1.60 0.0 ! 	 501_14.185
assign (resid 12 and name HB#) (resid 11 and name HN)  5.00 3.20 0.0 ! 	 501_14.187
assign (resid 12 and name HB#) (resid 12 and name HN)  3.40 1.60 0.0 ! 	 501_14.189
!aa13
assign (resid 13 and name HN) (resid 12 and name HN)  5.00 3.20 0.0 ! 	 501_14.21
assign (resid 13 and name HN) (resid 13 and name HA)  5.00 3.20 0.0 ! 	 501_14.35
assign (resid 13 and name HN) (resid 13 and name HB#)  3.40 1.60 0.0 ! 	 501_14.40
!duplicadoassign (resid 13 and name HN) (resid 13 and name HB#)  3.40 1.60 0.0 ! 	 501_14.41
assign (resid 13 and name HN) (resid 11 and name HA)  5.00 3.20 0.0 ! 	 501_14.42
assign (resid 13 and name HB#) (resid 13 and name HA)  5.00 3.20 0.0 ! 	 501_14.64
!duplicadoassign (resid 13 and name HB#) (resid 13 and name HA)  5.00 3.20 0.0 ! 	 501_14.65
assign (resid 13 and name HN) (resid 10 and name HA)  5.00 3.20 0.0 ! 	 501_14.74
assign (resid 13 and name HB#) (resid 14 and name HB#)  5.00 3.20 0.0 ! 	 501_14.250
!aa14
assign (resid 14 and name HN) (resid 12 and name HA)  5.00 3.20 0.0 ! 	 501_14.30
assign (resid 14 and name HN) (resid 13 and name HB#)  5.00 3.20 0.0 ! 	 501_14.31
!duplicadoassign (resid 14 and name HN) (resid 13 and name HB#)  5.00 3.20 0.0 ! 	 501_14.32
assign (resid 14 and name HN) (resid 14 and name HA)  5.00 3.20 0.0 ! 	 501_14.33
assign (resid 14 and name HN) (resid 13 and name HA)  5.00 3.20 0.0 ! 	 501_14.36
assign (resid 14 and name HN) (resid 14 and name HB#)  5.00 3.20 0.0 ! 	 501_14.103
assign (resid 14 and name HB#) (resid 14 and name HA)  5.00 3.20 0.0 ! 	 501_14.108
!duplicadoassign (resid 14 and name HB#) (resid 14 and name HA)  5.00 3.20 0.0 ! 	 501_14.109
assign (resid 14 and name HN) (resid 14 and name HG)  3.40 1.60 0.0 ! 	 501_14.121
assign (resid 14 and name HD##) (resid 14 and name HA)  3.40 1.60 0.0 ! 	 501_14.195
assign (resid 14 and name HN) (resid 14 and name HD##)  5.00 3.20 0.0 ! 	 501_14.221
assign (resid 14 and name HD##) (resid 14 and name HB#)  2.80 1.00 0.0 ! 	 501_14.302
assign (resid 14 and name HB#) (resid 14 and name HD##)  2.80 1.00 0.0 ! 	 501_14.304
!
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ILE   1           HT1      ILE   1   5.911   4.153  -5.243
    2    H2   ILE   1           HT2      ILE   1   6.201   5.822  -5.154
    3    H3   ILE   1           HT3      ILE   1   4.613   5.240  -5.161
    4    HA   ILE   1           HA       ILE   1   5.823   5.950  -2.959
    5    HB   ILE   1           HB       ILE   1   4.428   3.560  -2.273
    6   HG12  ILE   1          HG12      ILE   1   3.787   3.715  -4.784
    7   HG13  ILE   1          HG11      ILE   1   2.497   3.532  -3.603
    8   HG21  ILE   1          HG21      ILE   1   2.612   5.296  -1.736
    9   HG22  ILE   1          HG22      ILE   1   3.758   6.495  -2.334
   10   HG23  ILE   1          HG23      ILE   1   4.173   5.494  -0.943
   11   HD11  ILE   1          HD11      ILE   1   1.624   5.567  -4.062
   12   HD12  ILE   1          HD12      ILE   1   2.597   5.503  -5.530
   13   HD13  ILE   1          HD13      ILE   1   3.207   6.344  -4.103
   14    H    ASN   2           HN       ASN   2   6.213   4.218  -1.023
   15    HA   ASN   2           HA       ASN   2   7.952   2.032  -1.794
   16    HB2  ASN   2           HB2      ASN   2   9.513   3.919  -1.935
   17    HB3  ASN   2           HB1      ASN   2   9.065   4.430  -0.308
   18   HD21  ASN   2          HD21      ASN   2  11.281   2.536  -2.057
   19   HD22  ASN   2          HD22      ASN   2  11.893   1.629  -0.760
   20    H    TRP   3           HN       TRP   3   7.333   0.458  -0.449
   21    HA   TRP   3           HA       TRP   3   6.137   1.145   2.128
   22    HB2  TRP   3           HB2      TRP   3   6.080  -1.180   0.299
   23    HB3  TRP   3           HB1      TRP   3   6.003  -1.557   2.015
   24    HD1  TRP   3           HD1      TRP   3   3.719  -1.150  -0.623
   25    HE1  TRP   3           HE1      TRP   3   1.449  -0.185   0.129
   26    HE3  TRP   3           HE3      TRP   3   5.017   0.715   3.953
   27    HZ2  TRP   3           HZ2      TRP   3   0.332   1.165   2.374
   28    HZ3  TRP   3           HZ3      TRP   3   3.328   1.825   5.382
   29    HH2  TRP   3           HH2      TRP   3   0.988   2.054   4.600
   30    H    LEU   4           HN       LEU   4   6.675  -0.251   4.004
   31    HA   LEU   4           HA       LEU   4   9.186   0.060   4.990
   32    HB2  LEU   4           HB2      LEU   4   7.664  -2.482   5.543
   33    HB3  LEU   4           HB1      LEU   4   8.683  -1.558   6.644
   34    HG   LEU   4           HG       LEU   4   6.809   0.324   5.962
   35   HD11  LEU   4          HD11      LEU   4   5.661  -1.691   4.731
   36   HD12  LEU   4          HD12      LEU   4   4.674  -0.606   5.708
   37   HD13  LEU   4          HD13      LEU   4   5.167  -2.170   6.356
   38   HD21  LEU   4          HD21      LEU   4   5.725  -0.284   8.157
   39   HD22  LEU   4          HD22      LEU   4   7.479  -0.135   8.244
   40   HD23  LEU   4          HD23      LEU   4   6.730  -1.732   8.192
   41    H    LYS   5           HN       LYS   5   8.051  -2.659   3.046
   42    HA   LYS   5           HA       LYS   5  10.514  -4.109   3.200
   43    HB2  LYS   5           HB2      LYS   5   8.048  -4.337   1.469
   44    HB3  LYS   5           HB1      LYS   5   9.468  -5.346   1.191
   45    HG2  LYS   5           HG2      LYS   5   8.141  -6.651   2.645
   46    HG3  LYS   5           HG1      LYS   5   9.322  -5.907   3.720
   47    HD2  LYS   5           HD2      LYS   5   7.281  -4.019   3.632
   48    HD3  LYS   5           HD1      LYS   5   6.412  -5.545   3.617
   49    HE2  LYS   5           HE2      LYS   5   8.652  -5.089   5.580
   50    HE3  LYS   5           HE1      LYS   5   7.028  -4.494   5.917
   51    HZ1  LYS   5           HZ1      LYS   5   6.926  -7.162   4.979
   52    HZ2  LYS   5           HZ2      LYS   5   6.375  -6.523   6.451
   53    HZ3  LYS   5           HZ3      LYS   5   7.975  -7.054   6.308
   54    H    LEU   6           HN       LEU   6   9.017  -2.038   0.716
   55    HA   LEU   6           HA       LEU   6  11.037  -2.264  -1.214
   56    HB2  LEU   6           HB2      LEU   6   8.934  -0.246  -0.568
   57    HB3  LEU   6           HB1      LEU   6  10.191   0.190  -1.715
   58    HG   LEU   6           HG       LEU   6   9.209  -2.475  -2.282
   59   HD11  LEU   6          HD11      LEU   6   7.156  -0.246  -2.201
   60   HD12  LEU   6          HD12      LEU   6   7.104  -1.766  -1.306
   61   HD13  LEU   6          HD13      LEU   6   6.936  -1.771  -3.060
   62   HD21  LEU   6          HD21      LEU   6  10.437  -1.007  -3.849
   63   HD22  LEU   6          HD22      LEU   6   9.082   0.124  -3.845
   64   HD23  LEU   6          HD23      LEU   6   8.878  -1.496  -4.512
   65    H    GLY   7           HN       GLY   7  10.677  -0.186   1.601
   66    HA2  GLY   7           HA2      GLY   7  12.790   1.600   1.150
   67    HA3  GLY   7           HA1      GLY   7  12.152   1.162   2.729
   68    H    LYS   8           HN       LYS   8  12.793  -1.643   2.618
   69    HA   LYS   8           HA       LYS   8  15.365  -1.628   3.701
   70    HB2  LYS   8           HB2      LYS   8  13.440  -3.685   2.847
   71    HB3  LYS   8           HB1      LYS   8  15.124  -4.202   2.784
   72    HG2  LYS   8           HG2      LYS   8  14.248  -4.690   5.002
   73    HG3  LYS   8           HG1      LYS   8  15.426  -3.381   5.130
   74    HD2  LYS   8           HD2      LYS   8  13.537  -1.734   5.047
   75    HD3  LYS   8           HD1      LYS   8  12.411  -3.093   5.060
   76    HE2  LYS   8           HE2      LYS   8  12.944  -1.995   7.325
   77    HE3  LYS   8           HE1      LYS   8  13.045  -3.749   7.243
   78    HZ1  LYS   8           HZ1      LYS   8  14.957  -2.560   8.338
   79    HZ2  LYS   8           HZ2      LYS   8  15.397  -2.016   6.791
   80    HZ3  LYS   8           HZ3      LYS   8  15.369  -3.679   7.135
   81    H    LYS   9           HN       LYS   9  14.308  -2.263   0.413
   82    HA   LYS   9           HA       LYS   9  16.816  -3.076  -0.620
   83    HB2  LYS   9           HB2      LYS   9  14.465  -1.738  -2.003
   84    HB3  LYS   9           HB1      LYS   9  15.851  -2.457  -2.833
   85    HG2  LYS   9           HG2      LYS   9  14.537  -4.338  -2.831
   86    HG3  LYS   9           HG1      LYS   9  15.180  -4.522  -1.204
   87    HD2  LYS   9           HD2      LYS   9  13.103  -2.936  -0.610
   88    HD3  LYS   9           HD1      LYS   9  12.462  -3.658  -2.089
   89    HE2  LYS   9           HE2      LYS   9  13.426  -5.098   0.396
   90    HE3  LYS   9           HE1      LYS   9  11.781  -5.052  -0.236
   91    HZ1  LYS   9           HZ1      LYS   9  13.233  -5.962  -2.333
   92    HZ2  LYS   9           HZ2      LYS   9  12.337  -6.929  -1.265
   93    HZ3  LYS   9           HZ3      LYS   9  14.001  -6.700  -1.015
   94    H    ILE  10           HN       ILE  10  15.283   0.030  -0.105
   95    HA   ILE  10           HA       ILE  10  17.325   1.529  -1.481
   96    HB   ILE  10           HB       ILE  10  15.490   2.693   0.591
   97   HG12  ILE  10          HG12      ILE  10  13.810   1.565  -0.553
   98   HG13  ILE  10          HG11      ILE  10  13.950   3.003  -1.558
   99   HG21  ILE  10          HG21      ILE  10  17.263   4.018  -0.633
  100   HG22  ILE  10          HG22      ILE  10  15.621   4.639  -0.809
  101   HG23  ILE  10          HG23      ILE  10  16.360   3.715  -2.117
  102   HD11  ILE  10          HD11      ILE  10  15.805   1.468  -2.767
  103   HD12  ILE  10          HD12      ILE  10  14.102   1.414  -3.213
  104   HD13  ILE  10          HD13      ILE  10  14.764   0.193  -2.135
  105    H    ILE  11           HN       ILE  11  16.560   0.652   1.858
  106    HA   ILE  11           HA       ILE  11  18.630   2.224   3.015
  107    HB   ILE  11           HB       ILE  11  17.198  -0.239   4.063
  108   HG12  ILE  11          HG12      ILE  11  15.820   1.847   3.569
  109   HG13  ILE  11          HG11      ILE  11  15.773   1.301   5.241
  110   HG21  ILE  11          HG21      ILE  11  19.188  -0.076   5.339
  111   HG22  ILE  11          HG22      ILE  11  17.973   0.758   6.306
  112   HG23  ILE  11          HG23      ILE  11  19.132   1.689   5.357
  113   HD11  ILE  11          HD11      ILE  11  17.255   3.650   4.076
  114   HD12  ILE  11          HD12      ILE  11  17.756   2.939   5.608
  115   HD13  ILE  11          HD13      ILE  11  16.138   3.616   5.442
  116    H    ALA  12           HN       ALA  12  18.408  -0.862   1.490
  117    HA   ALA  12           HA       ALA  12  20.980  -1.827   2.397
  118    HB1  ALA  12           HB1      ALA  12  19.115  -2.791   0.212
  119    HB2  ALA  12           HB2      ALA  12  19.213  -3.429   1.854
  120    HB3  ALA  12           HB3      ALA  12  20.568  -3.633   0.745
  121    H    SER  13           HN       SER  13  19.612  -0.106  -0.323
  122    HA   SER  13           HA       SER  13  21.820  -0.374  -2.100
  123    HB2  SER  13           HB2      SER  13  19.760   1.844  -1.927
  124    HB3  SER  13           HB1      SER  13  20.828   1.534  -3.292
  125    HG   SER  13           HG       SER  13  18.907  -0.294  -2.215
  126    H    LEU  14           H1       LEU  14  22.306   1.597   1.884
  127    HA   LEU  14           HA       LEU  14  24.988   1.182   0.871
  128    HB2  LEU  14           HB2      LEU  14  24.546   2.467  -1.756
  129    HG   LEU  14           HG       LEU  14  26.229   0.610  -1.011
  130   HD11  LEU  14          HD11      LEU  14  27.789   1.309  -2.712
  131   HD12  LEU  14          HD12      LEU  14  27.319   2.999  -2.520
  132   HD13  LEU  14          HD13      LEU  14  26.188   1.836  -3.217
  133   HD21  LEU  14          HD21      LEU  14  27.620   3.138  -0.065
  134   HD22  LEU  14          HD22      LEU  14  28.415   1.578  -0.272
  135   HD23  LEU  14          HD23      LEU  14  27.145   1.765   0.936
  Start of MODEL    2
    1    H1   ILE   1           HT1      ILE   1   1.086   2.947  -0.869
    2    H2   ILE   1           HT2      ILE   1   0.666   3.108  -2.501
    3    H3   ILE   1           HT3      ILE   1   0.457   4.415  -1.441
    4    HA   ILE   1           HA       ILE   1   2.434   4.555  -2.960
    5    HB   ILE   1           HB       ILE   1   3.565   4.533  -0.218
    6   HG12  ILE   1          HG12      ILE   1   1.067   6.120  -0.871
    7   HG13  ILE   1          HG11      ILE   1   1.229   4.886   0.378
    8   HG21  ILE   1          HG21      ILE   1   4.091   6.862  -0.814
    9   HG22  ILE   1          HG22      ILE   1   3.102   6.725  -2.265
   10   HG23  ILE   1          HG23      ILE   1   4.573   5.769  -2.110
   11   HD11  ILE   1          HD11      ILE   1   3.303   6.615   0.962
   12   HD12  ILE   1          HD12      ILE   1   1.735   6.596   1.771
   13   HD13  ILE   1          HD13      ILE   1   2.026   7.709   0.429
   14    H    ASN   2           HN       ASN   2   4.970   4.029  -1.956
   15    HA   ASN   2           HA       ASN   2   5.510   1.448  -2.939
   16    HB2  ASN   2           HB2      ASN   2   7.748   1.797  -1.707
   17    HB3  ASN   2           HB1      ASN   2   7.326   2.969  -2.957
   18   HD21  ASN   2          HD21      ASN   2   7.892   2.564   0.476
   19   HD22  ASN   2          HD22      ASN   2   7.651   4.191   0.895
   20    H    TRP   3           HN       TRP   3   6.088  -0.475  -1.866
   21    HA   TRP   3           HA       TRP   3   4.645  -0.945   0.594
   22    HB2  TRP   3           HB2      TRP   3   6.489  -2.810  -0.924
   23    HB3  TRP   3           HB1      TRP   3   5.338  -3.266   0.329
   24    HD1  TRP   3           HD1      TRP   3   5.639  -3.048  -3.291
   25    HE1  TRP   3           HE1      TRP   3   3.326  -3.138  -4.426
   26    HE3  TRP   3           HE3      TRP   3   2.643  -2.205   0.756
   27    HZ2  TRP   3           HZ2      TRP   3   0.569  -2.869  -3.711
   28    HZ3  TRP   3           HZ3      TRP   3   0.180  -2.113   0.499
   29    HH2  TRP   3           HH2      TRP   3  -0.861  -2.446  -1.727
   30    H    LEU   4           HN       LEU   4   5.448  -0.935   2.590
   31    HA   LEU   4           HA       LEU   4   7.636   0.235   3.565
   32    HB2  LEU   4           HB2      LEU   4   6.943  -2.477   4.693
   33    HB3  LEU   4           HB1      LEU   4   7.416  -1.017   5.553
   34    HG   LEU   4           HG       LEU   4   5.202  -0.032   4.528
   35   HD11  LEU   4          HD11      LEU   4   5.131  -2.672   3.521
   36   HD12  LEU   4          HD12      LEU   4   3.831  -1.484   3.466
   37   HD13  LEU   4          HD13      LEU   4   3.926  -2.624   4.805
   38   HD21  LEU   4          HD21      LEU   4   4.288  -0.331   6.613
   39   HD22  LEU   4          HD22      LEU   4   5.892  -0.961   6.979
   40   HD23  LEU   4          HD23      LEU   4   4.577  -2.070   6.600
   41    H    LYS   5           HN       LYS   5   7.583  -3.096   2.412
   42    HA   LYS   5           HA       LYS   5  10.144  -3.903   3.034
   43    HB2  LYS   5           HB2      LYS   5   8.317  -4.617   0.744
   44    HB3  LYS   5           HB1      LYS   5   9.892  -5.385   0.952
   45    HG2  LYS   5           HG2      LYS   5   8.457  -6.831   2.124
   46    HG3  LYS   5           HG1      LYS   5   9.103  -5.812   3.405
   47    HD2  LYS   5           HD2      LYS   5   6.794  -4.497   2.334
   48    HD3  LYS   5           HD1      LYS   5   6.363  -6.173   2.634
   49    HE2  LYS   5           HE2      LYS   5   7.799  -4.474   4.685
   50    HE3  LYS   5           HE1      LYS   5   6.040  -4.588   4.605
   51    HZ1  LYS   5           HZ1      LYS   5   7.864  -6.920   4.859
   52    HZ2  LYS   5           HZ2      LYS   5   6.168  -6.950   4.900
   53    HZ3  LYS   5           HZ3      LYS   5   7.032  -6.203   6.153
   54    H    LEU   6           HN       LEU   6   9.087  -1.922   0.296
   55    HA   LEU   6           HA       LEU   6  11.334  -2.025  -1.299
   56    HB2  LEU   6           HB2      LEU   6   9.249   0.028  -0.757
   57    HB3  LEU   6           HB1      LEU   6  10.708   0.571  -1.565
   58    HG   LEU   6           HG       LEU   6   9.037  -0.093  -3.229
   59   HD11  LEU   6          HD11      LEU   6  10.467  -1.313  -4.584
   60   HD12  LEU   6          HD12      LEU   6  10.984  -2.368  -3.271
   61   HD13  LEU   6          HD13      LEU   6  11.605  -0.720  -3.372
   62   HD21  LEU   6          HD21      LEU   6   8.277  -1.999  -1.401
   63   HD22  LEU   6          HD22      LEU   6   9.159  -2.968  -2.582
   64   HD23  LEU   6          HD23      LEU   6   7.787  -1.986  -3.095
   65    H    GLY   7           HN       GLY   7  10.721   0.040   1.501
   66    HA2  GLY   7           HA2      GLY   7  12.917   1.659   1.533
   67    HA3  GLY   7           HA1      GLY   7  12.174   1.024   2.991
   68    H    LYS   8           HN       LYS   8  12.782  -1.725   2.596
   69    HA   LYS   8           HA       LYS   8  15.379  -1.828   3.696
   70    HB2  LYS   8           HB2      LYS   8  14.114  -4.182   2.330
   71    HB3  LYS   8           HB1      LYS   8  15.110  -4.149   3.782
   72    HG2  LYS   8           HG2      LYS   8  12.248  -3.189   3.498
   73    HG3  LYS   8           HG1      LYS   8  12.825  -4.543   4.466
   74    HD2  LYS   8           HD2      LYS   8  14.135  -1.978   5.118
   75    HD3  LYS   8           HD1      LYS   8  12.398  -1.990   5.421
   76    HE2  LYS   8           HE2      LYS   8  13.323  -2.804   7.433
   77    HE3  LYS   8           HE1      LYS   8  12.809  -4.260   6.586
   78    HZ1  LYS   8           HZ1      LYS   8  15.359  -3.749   5.683
   79    HZ2  LYS   8           HZ2      LYS   8  14.891  -4.964   6.768
   80    HZ3  LYS   8           HZ3      LYS   8  15.422  -3.458   7.354
   81    H    LYS   9           HN       LYS   9  14.161  -2.366   0.424
   82    HA   LYS   9           HA       LYS   9  16.644  -3.240  -0.662
   83    HB2  LYS   9           HB2      LYS   9  14.223  -2.001  -1.995
   84    HB3  LYS   9           HB1      LYS   9  15.614  -2.642  -2.868
   85    HG2  LYS   9           HG2      LYS   9  14.383  -4.574  -2.852
   86    HG3  LYS   9           HG1      LYS   9  15.104  -4.756  -1.253
   87    HD2  LYS   9           HD2      LYS   9  13.110  -3.632  -0.272
   88    HD3  LYS   9           HD1      LYS   9  12.397  -3.548  -1.883
   89    HE2  LYS   9           HE2      LYS   9  11.460  -5.532  -1.181
   90    HE3  LYS   9           HE1      LYS   9  12.947  -6.152  -1.884
   91    HZ1  LYS   9           HZ1      LYS   9  12.440  -5.587   0.988
   92    HZ2  LYS   9           HZ2      LYS   9  13.957  -6.002   0.354
   93    HZ3  LYS   9           HZ3      LYS   9  12.674  -7.102   0.266
   94    H    ILE  10           HN       ILE  10  15.299  -0.129   0.090
   95    HA   ILE  10           HA       ILE  10  17.279   1.274  -1.539
   96    HB   ILE  10           HB       ILE  10  15.451   2.603   0.431
   97   HG12  ILE  10          HG12      ILE  10  13.767   1.393  -0.620
   98   HG13  ILE  10          HG11      ILE  10  13.903   2.759  -1.718
   99   HG21  ILE  10          HG21      ILE  10  15.484   4.323  -1.395
  100   HG22  ILE  10          HG22      ILE  10  16.627   3.300  -2.260
  101   HG23  ILE  10          HG23      ILE  10  17.070   3.985  -0.697
  102   HD11  ILE  10          HD11      ILE  10  14.649  -0.085  -2.130
  103   HD12  ILE  10          HD12      ILE  10  15.752   1.108  -2.814
  104   HD13  ILE  10          HD13      ILE  10  14.056   1.101  -3.291
  105    H    ILE  11           HN       ILE  11  16.524   0.684   1.883
  106    HA   ILE  11           HA       ILE  11  18.528   2.380   2.936
  107    HB   ILE  11           HB       ILE  11  17.171  -0.085   4.072
  108   HG12  ILE  11          HG12      ILE  11  15.957   2.207   3.584
  109   HG13  ILE  11          HG11      ILE  11  15.697   1.411   5.135
  110   HG21  ILE  11          HG21      ILE  11  19.120   1.852   5.358
  111   HG22  ILE  11          HG22      ILE  11  19.283   0.100   5.217
  112   HG23  ILE  11          HG23      ILE  11  18.059   0.792   6.284
  113   HD11  ILE  11          HD11      ILE  11  16.209   3.876   5.314
  114   HD12  ILE  11          HD12      ILE  11  17.814   3.531   4.673
  115   HD13  ILE  11          HD13      ILE  11  17.317   2.844   6.219
  116    H    ALA  12           HN       ALA  12  18.491  -0.798   1.621
  117    HA   ALA  12           HA       ALA  12  21.150  -1.510   2.507
  118    HB1  ALA  12           HB1      ALA  12  19.442  -3.230   2.203
  119    HB2  ALA  12           HB2      ALA  12  20.771  -3.497   1.076
  120    HB3  ALA  12           HB3      ALA  12  19.265  -2.780   0.508
  121    H    SER  13           HN       SER  13  19.615  -0.129  -0.330
  122    HA   SER  13           HA       SER  13  22.115  -0.288  -1.856
  123    HB2  SER  13           HB2      SER  13  19.516   0.930  -2.772
  124    HB3  SER  13           HB1      SER  13  20.846   0.328  -3.758
  125    HG   SER  13           HG       SER  13  18.823  -1.041  -2.389
  126    H    LEU  14           H1       LEU  14  20.456   2.862   0.318
  127    HA   LEU  14           HA       LEU  14  23.593   3.362   0.650
  128    HB2  LEU  14           HB2      LEU  14  23.320   3.462  -2.320
  129    HG   LEU  14           HG       LEU  14  25.242   2.429  -0.894
  130   HD11  LEU  14          HD11      LEU  14  26.833   2.976  -2.589
  131   HD12  LEU  14          HD12      LEU  14  26.047   4.521  -2.921
  132   HD13  LEU  14          HD13      LEU  14  25.254   3.011  -3.376
  133   HD21  LEU  14          HD21      LEU  14  25.375   5.292  -0.186
  134   HD22  LEU  14          HD22      LEU  14  26.916   4.611  -0.706
  135   HD23  LEU  14          HD23      LEU  14  26.050   3.893   0.652
  Start of MODEL    3
    1    H1   ILE   1           HT1      ILE   1   3.239   6.246   1.939
    2    H2   ILE   1           HT2      ILE   1   3.981   7.591   1.229
    3    H3   ILE   1           HT3      ILE   1   3.160   7.755   2.702
    4    HA   ILE   1           HA       ILE   1   5.638   7.691   2.860
    5    HB   ILE   1           HB       ILE   1   5.159   5.509   4.533
    6   HG12  ILE   1          HG12      ILE   1   2.608   7.124   4.265
    7   HG13  ILE   1          HG11      ILE   1   2.810   5.449   3.746
    8   HG21  ILE   1          HG21      ILE   1   5.659   8.269   4.751
    9   HG22  ILE   1          HG22      ILE   1   5.716   7.070   6.042
   10   HG23  ILE   1          HG23      ILE   1   4.230   7.963   5.737
   11   HD11  ILE   1          HD11      ILE   1   3.560   4.961   6.156
   12   HD12  ILE   1          HD12      ILE   1   1.847   5.291   5.910
   13   HD13  ILE   1          HD13      ILE   1   2.901   6.547   6.561
   14    H    ASN   2           HN       ASN   2   7.365   5.965   3.232
   15    HA   ASN   2           HA       ASN   2   7.700   4.418   0.871
   16    HB2  ASN   2           HB2      ASN   2   9.830   4.080   1.614
   17    HB3  ASN   2           HB1      ASN   2   9.415   5.404   2.696
   18   HD21  ASN   2          HD21      ASN   2   9.428   1.808   2.553
   19   HD22  ASN   2          HD22      ASN   2   9.674   1.602   4.219
   20    H    TRP   3           HN       TRP   3   7.884   2.110   0.723
   21    HA   TRP   3           HA       TRP   3   5.831   0.779   2.306
   22    HB2  TRP   3           HB2      TRP   3   7.316   0.119  -0.215
   23    HB3  TRP   3           HB1      TRP   3   6.403  -1.123   0.642
   24    HD1  TRP   3           HD1      TRP   3   5.998   1.953  -1.499
   25    HE1  TRP   3           HE1      TRP   3   3.487   2.334  -1.982
   26    HE3  TRP   3           HE3      TRP   3   3.955  -1.484   1.680
   27    HZ2  TRP   3           HZ2      TRP   3   0.953   1.312  -1.130
   28    HZ3  TRP   3           HZ3      TRP   3   1.495  -1.757   1.827
   29    HH2  TRP   3           HH2      TRP   3  -0.002  -0.361   0.427
   30    H    LEU   4           HN       LEU   4   6.116  -0.853   3.684
   31    HA   LEU   4           HA       LEU   4   8.150  -1.121   5.399
   32    HB2  LEU   4           HB2      LEU   4   6.418  -3.369   4.358
   33    HB3  LEU   4           HB1      LEU   4   7.417  -3.474   5.804
   34    HG   LEU   4           HG       LEU   4   6.092  -1.165   6.328
   35   HD11  LEU   4          HD11      LEU   4   3.624  -2.202   5.675
   36   HD12  LEU   4          HD12      LEU   4   4.572  -2.592   4.241
   37   HD13  LEU   4          HD13      LEU   4   4.441  -0.919   4.785
   38   HD21  LEU   4          HD21      LEU   4   4.552  -2.591   7.700
   39   HD22  LEU   4          HD22      LEU   4   6.248  -3.049   7.859
   40   HD23  LEU   4          HD23      LEU   4   5.164  -4.007   6.849
   41    H    LYS   5           HN       LYS   5   8.009  -2.971   2.332
   42    HA   LYS   5           HA       LYS   5  10.741  -3.938   2.915
   43    HB2  LYS   5           HB2      LYS   5   8.618  -4.996   1.032
   44    HB3  LYS   5           HB1      LYS   5  10.262  -5.626   1.119
   45    HG2  LYS   5           HG2      LYS   5   9.217  -7.050   2.614
   46    HG3  LYS   5           HG1      LYS   5   9.699  -5.765   3.720
   47    HD2  LYS   5           HD2      LYS   5   7.433  -4.708   3.318
   48    HD3  LYS   5           HD1      LYS   5   6.983  -6.167   2.449
   49    HE2  LYS   5           HE2      LYS   5   7.545  -5.812   5.374
   50    HE3  LYS   5           HE1      LYS   5   6.214  -6.666   4.589
   51    HZ1  LYS   5           HZ1      LYS   5   9.056  -7.539   4.671
   52    HZ2  LYS   5           HZ2      LYS   5   7.811  -8.341   3.841
   53    HZ3  LYS   5           HZ3      LYS   5   7.766  -8.228   5.531
   54    H    LEU   6           HN       LEU   6   8.794  -2.591   0.237
   55    HA   LEU   6           HA       LEU   6  10.772  -2.434  -1.694
   56    HB2  LEU   6           HB2      LEU   6   8.197  -1.199  -1.233
   57    HB3  LEU   6           HB1      LEU   6   9.312  -0.080  -2.019
   58    HG   LEU   6           HG       LEU   6   8.825  -2.930  -2.952
   59   HD11  LEU   6          HD11      LEU   6   7.453  -1.990  -4.709
   60   HD12  LEU   6          HD12      LEU   6   7.804  -0.349  -4.172
   61   HD13  LEU   6          HD13      LEU   6   6.821  -1.410  -3.167
   62   HD21  LEU   6          HD21      LEU   6  10.773  -2.490  -4.064
   63   HD22  LEU   6          HD22      LEU   6  10.690  -0.767  -3.698
   64   HD23  LEU   6          HD23      LEU   6   9.790  -1.419  -5.065
   65    H    GLY   7           HN       GLY   7  10.269  -0.335   1.084
   66    HA2  GLY   7           HA2      GLY   7  12.156   1.647   0.155
   67    HA3  GLY   7           HA1      GLY   7  11.379   1.604   1.730
   68    H    LYS   8           HN       LYS   8  12.346  -1.295   2.001
   69    HA   LYS   8           HA       LYS   8  14.689  -0.692   3.487
   70    HB2  LYS   8           HB2      LYS   8  13.179  -3.139   2.771
   71    HB3  LYS   8           HB1      LYS   8  14.858  -3.352   3.265
   72    HG2  LYS   8           HG2      LYS   8  13.074  -3.421   5.123
   73    HG3  LYS   8           HG1      LYS   8  14.468  -2.380   5.401
   74    HD2  LYS   8           HD2      LYS   8  13.226  -0.404   4.840
   75    HD3  LYS   8           HD1      LYS   8  11.890  -1.347   4.186
   76    HE2  LYS   8           HE2      LYS   8  12.663  -0.913   7.063
   77    HE3  LYS   8           HE1      LYS   8  11.087  -0.729   6.301
   78    HZ1  LYS   8           HZ1      LYS   8  12.501  -3.285   6.809
   79    HZ2  LYS   8           HZ2      LYS   8  11.022  -3.138   5.985
   80    HZ3  LYS   8           HZ3      LYS   8  11.130  -2.714   7.628
   81    H    LYS   9           HN       LYS   9  14.204  -2.128   0.296
   82    HA   LYS   9           HA       LYS   9  16.714  -3.073  -0.308
   83    HB2  LYS   9           HB2      LYS   9  14.870  -1.456  -2.103
   84    HB3  LYS   9           HB1      LYS   9  16.271  -2.375  -2.666
   85    HG2  LYS   9           HG2      LYS   9  14.819  -4.108  -2.884
   86    HG3  LYS   9           HG1      LYS   9  14.971  -4.252  -1.134
   87    HD2  LYS   9           HD2      LYS   9  13.042  -2.667  -0.897
   88    HD3  LYS   9           HD1      LYS   9  12.840  -2.704  -2.649
   89    HE2  LYS   9           HE2      LYS   9  12.408  -4.920  -0.655
   90    HE3  LYS   9           HE1      LYS   9  11.340  -4.368  -1.943
   91    HZ1  LYS   9           HZ1      LYS   9  13.756  -6.043  -2.142
   92    HZ2  LYS   9           HZ2      LYS   9  13.231  -5.134  -3.478
   93    HZ3  LYS   9           HZ3      LYS   9  12.214  -6.310  -2.791
   94    H    ILE  10           HN       ILE  10  15.560   0.234  -0.329
   95    HA   ILE  10           HA       ILE  10  17.874   1.413  -1.431
   96    HB   ILE  10           HB       ILE  10  16.103   2.863   0.507
   97   HG12  ILE  10          HG12      ILE  10  14.393   1.759  -0.670
   98   HG13  ILE  10          HG11      ILE  10  14.607   3.246  -1.597
   99   HG21  ILE  10          HG21      ILE  10  17.293   3.597  -2.176
  100   HG22  ILE  10          HG22      ILE  10  17.998   3.988  -0.607
  101   HG23  ILE  10          HG23      ILE  10  16.447   4.678  -1.072
  102   HD11  ILE  10          HD11      ILE  10  15.516   0.449  -2.274
  103   HD12  ILE  10          HD12      ILE  10  16.286   1.851  -3.012
  104   HD13  ILE  10          HD13      ILE  10  14.562   1.564  -3.244
  105    H    ILE  11           HN       ILE  11  16.891   0.657   1.869
  106    HA   ILE  11           HA       ILE  11  19.013   2.072   3.114
  107    HB   ILE  11           HB       ILE  11  17.563  -0.360   4.220
  108   HG12  ILE  11          HG12      ILE  11  16.761   2.570   4.337
  109   HG13  ILE  11          HG11      ILE  11  15.943   1.323   3.393
  110   HG21  ILE  11          HG21      ILE  11  18.064   1.655   6.162
  111   HG22  ILE  11          HG22      ILE  11  19.560   1.445   5.254
  112   HG23  ILE  11          HG23      ILE  11  18.812   0.061   6.048
  113   HD11  ILE  11          HD11      ILE  11  14.658   1.339   5.340
  114   HD12  ILE  11          HD12      ILE  11  16.047   1.664   6.376
  115   HD13  ILE  11          HD13      ILE  11  15.813   0.055   5.691
  116    H    ALA  12           HN       ALA  12  18.612  -1.009   1.625
  117    HA   ALA  12           HA       ALA  12  21.108  -2.111   2.596
  118    HB1  ALA  12           HB1      ALA  12  20.418  -4.049   1.599
  119    HB2  ALA  12           HB2      ALA  12  19.808  -3.215   0.171
  120    HB3  ALA  12           HB3      ALA  12  18.847  -3.253   1.648
  121    H    SER  13           HN       SER  13  19.841  -0.394  -0.158
  122    HA   SER  13           HA       SER  13  22.137  -0.702  -1.838
  123    HB2  SER  13           HB2      SER  13  20.121   1.543  -1.966
  124    HB3  SER  13           HB1      SER  13  21.071   0.856  -3.281
  125    HG   SER  13           HG       SER  13  19.171  -0.629  -1.753
  126    H    LEU  14           H1       LEU  14  22.099   1.418   1.968
  127    HA   LEU  14           HA       LEU  14  24.998   1.152   1.290
  128    HB2  LEU  14           HB2      LEU  14  24.521   2.451  -1.346
  129    HG   LEU  14           HG       LEU  14  26.205   0.626  -0.907
  130   HD11  LEU  14          HD11      LEU  14  26.608   1.986  -2.820
  131   HD12  LEU  14          HD12      LEU  14  28.143   1.927  -1.955
  132   HD13  LEU  14          HD13      LEU  14  27.114   3.352  -1.834
  133   HD21  LEU  14          HD21      LEU  14  27.577   0.783   0.883
  134   HD22  LEU  14          HD22      LEU  14  26.856   2.339   1.292
  135   HD23  LEU  14          HD23      LEU  14  28.258   2.276   0.228
  Start of MODEL    4
    1    H1   ILE   1           HT1      ILE   1   5.460   7.344  -2.247
    2    H2   ILE   1           HT2      ILE   1   7.051   7.521  -2.813
    3    H3   ILE   1           HT3      ILE   1   6.216   8.857  -2.196
    4    HA   ILE   1           HA       ILE   1   7.543   8.325  -0.425
    5    HB   ILE   1           HB       ILE   1   5.517   6.337   0.420
    6   HG12  ILE   1          HG12      ILE   1   3.944   8.584   0.541
    7   HG13  ILE   1          HG11      ILE   1   4.709   8.792  -1.033
    8   HG21  ILE   1          HG21      ILE   1   7.086   7.686   1.881
    9   HG22  ILE   1          HG22      ILE   1   5.386   7.754   2.345
   10   HG23  ILE   1          HG23      ILE   1   6.119   9.106   1.481
   11   HD11  ILE   1          HD11      ILE   1   2.787   7.495  -1.503
   12   HD12  ILE   1          HD12      ILE   1   3.003   6.510  -0.057
   13   HD13  ILE   1          HD13      ILE   1   4.086   6.303  -1.433
   14    H    ASN   2           HN       ASN   2   8.259   6.439   1.075
   15    HA   ASN   2           HA       ASN   2   9.468   4.397  -0.624
   16    HB2  ASN   2           HB2      ASN   2  10.534   5.749   1.432
   17    HB3  ASN   2           HB1      ASN   2   9.855   4.391   2.334
   18   HD21  ASN   2          HD21      ASN   2  12.768   5.038   1.631
   19   HD22  ASN   2          HD22      ASN   2  13.328   3.643   0.838
   20    H    TRP   3           HN       TRP   3   8.886   2.249  -0.581
   21    HA   TRP   3           HA       TRP   3   6.403   1.637   0.834
   22    HB2  TRP   3           HB2      TRP   3   7.900   0.189  -1.350
   23    HB3  TRP   3           HB1      TRP   3   6.448  -0.446  -0.575
   24    HD1  TRP   3           HD1      TRP   3   7.624   2.148  -3.048
   25    HE1  TRP   3           HE1      TRP   3   5.587   3.355  -4.068
   26    HE3  TRP   3           HE3      TRP   3   3.933   0.351  -0.025
   27    HZ2  TRP   3           HZ2      TRP   3   2.764   3.541  -3.654
   28    HZ3  TRP   3           HZ3      TRP   3   1.582   1.062  -0.347
   29    HH2  TRP   3           HH2      TRP   3   0.990   2.654  -2.157
   30    H    LEU   4           HN       LEU   4   6.142   0.140   2.344
   31    HA   LEU   4           HA       LEU   4   7.820  -0.398   4.326
   32    HB2  LEU   4           HB2      LEU   4   6.118  -2.668   3.322
   33    HB3  LEU   4           HB1      LEU   4   6.445  -2.188   4.983
   34    HG   LEU   4           HG       LEU   4   5.283   0.081   4.131
   35   HD11  LEU   4          HD11      LEU   4   3.579  -0.271   2.527
   36   HD12  LEU   4          HD12      LEU   4   3.713  -2.024   2.638
   37   HD13  LEU   4          HD13      LEU   4   4.975  -1.093   1.837
   38   HD21  LEU   4          HD21      LEU   4   4.379  -0.915   6.034
   39   HD22  LEU   4          HD22      LEU   4   4.121  -2.465   5.228
   40   HD23  LEU   4          HD23      LEU   4   3.066  -1.097   4.874
   41    H    LYS   5           HN       LYS   5   7.713  -2.364   1.361
   42    HA   LYS   5           HA       LYS   5   9.838  -4.094   2.327
   43    HB2  LYS   5           HB2      LYS   5   8.135  -3.964  -0.138
   44    HB3  LYS   5           HB1      LYS   5   9.640  -4.880  -0.185
   45    HG2  LYS   5           HG2      LYS   5   7.843  -6.388   0.467
   46    HG3  LYS   5           HG1      LYS   5   8.886  -6.119   1.860
   47    HD2  LYS   5           HD2      LYS   5   6.875  -4.079   1.862
   48    HD3  LYS   5           HD1      LYS   5   6.072  -5.630   1.649
   49    HE2  LYS   5           HE2      LYS   5   8.124  -5.060   3.808
   50    HE3  LYS   5           HE1      LYS   5   6.380  -4.984   4.062
   51    HZ1  LYS   5           HZ1      LYS   5   7.697  -7.390   2.959
   52    HZ2  LYS   5           HZ2      LYS   5   6.154  -7.255   3.660
   53    HZ3  LYS   5           HZ3      LYS   5   7.542  -7.142   4.630
   54    H    LEU   6           HN       LEU   6   9.473  -1.657  -0.255
   55    HA   LEU   6           HA       LEU   6  12.054  -1.835  -1.305
   56    HB2  LEU   6           HB2      LEU   6   9.879   0.152  -1.325
   57    HB3  LEU   6           HB1      LEU   6  11.489   0.830  -1.544
   58    HG   LEU   6           HG       LEU   6  11.914  -0.834  -3.350
   59   HD11  LEU   6          HD11      LEU   6   9.710  -1.895  -4.250
   60   HD12  LEU   6          HD12      LEU   6   9.107  -1.637  -2.614
   61   HD13  LEU   6          HD13      LEU   6  10.517  -2.662  -2.883
   62   HD21  LEU   6          HD21      LEU   6  10.361   0.185  -5.010
   63   HD22  LEU   6          HD22      LEU   6  11.081   1.393  -3.945
   64   HD23  LEU   6          HD23      LEU   6   9.421   0.862  -3.680
   65    H    GLY   7           HN       GLY   7  10.785   0.125   1.363
   66    HA2  GLY   7           HA2      GLY   7  12.823   1.754   2.043
   67    HA3  GLY   7           HA1      GLY   7  11.902   0.873   3.257
   68    H    LYS   8           HN       LYS   8  12.759  -1.754   2.624
   69    HA   LYS   8           HA       LYS   8  15.270  -1.788   4.017
   70    HB2  LYS   8           HB2      LYS   8  13.510  -3.915   2.813
   71    HB3  LYS   8           HB1      LYS   8  15.077  -4.295   3.529
   72    HG2  LYS   8           HG2      LYS   8  13.686  -4.555   5.380
   73    HG3  LYS   8           HG1      LYS   8  14.147  -2.862   5.561
   74    HD2  LYS   8           HD2      LYS   8  12.074  -2.153   4.445
   75    HD3  LYS   8           HD1      LYS   8  11.631  -3.841   4.178
   76    HE2  LYS   8           HE2      LYS   8  11.294  -4.235   6.475
   77    HE3  LYS   8           HE1      LYS   8  12.177  -2.785   6.951
   78    HZ1  LYS   8           HZ1      LYS   8   9.510  -2.921   6.782
   79    HZ2  LYS   8           HZ2      LYS   8   9.884  -2.322   5.227
   80    HZ3  LYS   8           HZ3      LYS   8  10.387  -1.481   6.619
   81    H    LYS   9           HN       LYS   9  14.222  -2.444   0.707
   82    HA   LYS   9           HA       LYS   9  16.788  -3.313  -0.205
   83    HB2  LYS   9           HB2      LYS   9  14.302  -2.354  -1.628
   84    HB3  LYS   9           HB1      LYS   9  15.775  -2.781  -2.494
   85    HG2  LYS   9           HG2      LYS   9  14.710  -4.833  -2.507
   86    HG3  LYS   9           HG1      LYS   9  15.638  -4.973  -1.015
   87    HD2  LYS   9           HD2      LYS   9  13.625  -4.110   0.237
   88    HD3  LYS   9           HD1      LYS   9  12.712  -4.213  -1.272
   89    HE2  LYS   9           HE2      LYS   9  13.912  -6.441   0.364
   90    HE3  LYS   9           HE1      LYS   9  12.263  -6.279  -0.238
   91    HZ1  LYS   9           HZ1      LYS   9  13.428  -7.892  -1.555
   92    HZ2  LYS   9           HZ2      LYS   9  14.697  -6.803  -1.862
   93    HZ3  LYS   9           HZ3      LYS   9  13.154  -6.520  -2.509
   94    H    ILE  10           HN       ILE  10  15.061  -0.253  -0.149
   95    HA   ILE  10           HA       ILE  10  17.005   1.178  -1.697
   96    HB   ILE  10           HB       ILE  10  14.710   1.957   0.067
   97   HG12  ILE  10          HG12      ILE  10  13.682   2.626  -1.980
   98   HG13  ILE  10          HG11      ILE  10  15.220   2.616  -2.838
   99   HG21  ILE  10          HG21      ILE  10  16.147   3.773   0.494
  100   HG22  ILE  10          HG22      ILE  10  15.192   4.325  -0.882
  101   HG23  ILE  10          HG23      ILE  10  16.835   3.731  -1.130
  102   HD11  ILE  10          HD11      ILE  10  13.894   0.141  -1.698
  103   HD12  ILE  10          HD12      ILE  10  15.332   0.184  -2.713
  104   HD13  ILE  10          HD13      ILE  10  13.768   0.644  -3.375
  105    H    ILE  11           HN       ILE  11  16.503   0.664   1.774
  106    HA   ILE  11           HA       ILE  11  18.555   2.480   2.585
  107    HB   ILE  11           HB       ILE  11  17.233   0.133   3.966
  108   HG12  ILE  11          HG12      ILE  11  16.037   2.408   3.428
  109   HG13  ILE  11          HG11      ILE  11  15.892   1.721   5.044
  110   HG21  ILE  11          HG21      ILE  11  18.293   1.191   6.052
  111   HG22  ILE  11          HG22      ILE  11  19.369   2.045   4.945
  112   HG23  ILE  11          HG23      ILE  11  19.378   0.281   5.001
  113   HD11  ILE  11          HD11      ILE  11  18.076   3.684   4.341
  114   HD12  ILE  11          HD12      ILE  11  17.502   3.219   5.942
  115   HD13  ILE  11          HD13      ILE  11  16.491   4.217   4.898
  116    H    ALA  12           HN       ALA  12  18.353  -0.796   1.496
  117    HA   ALA  12           HA       ALA  12  21.076  -1.486   2.237
  118    HB1  ALA  12           HB1      ALA  12  19.526  -3.302   2.284
  119    HB2  ALA  12           HB2      ALA  12  20.527  -3.558   0.855
  120    HB3  ALA  12           HB3      ALA  12  18.900  -2.898   0.684
  121    H    SER  13           HN       SER  13  19.260  -0.402  -0.584
  122    HA   SER  13           HA       SER  13  21.426  -0.888  -2.426
  123    HB2  SER  13           HB2      SER  13  18.974   0.838  -2.765
  124    HB3  SER  13           HB1      SER  13  20.064   0.321  -4.047
  125    HG   SER  13           HG       SER  13  18.413  -1.284  -2.376
  126    H    LEU  14           H1       LEU  14  21.478   3.603  -1.966
  127    HA   LEU  14           HA       LEU  14  24.293   2.060  -0.326
  128    HB2  LEU  14           HB2      LEU  14  23.435   2.449  -3.152
  129    HG   LEU  14           HG       LEU  14  25.392   1.016  -2.176
  130   HD11  LEU  14          HD11      LEU  14  24.956   1.704  -4.609
  131   HD12  LEU  14          HD12      LEU  14  26.616   1.295  -4.191
  132   HD13  LEU  14          HD13      LEU  14  26.144   2.985  -4.340
  133   HD21  LEU  14          HD21      LEU  14  27.037   3.475  -2.447
  134   HD22  LEU  14          HD22      LEU  14  27.259   2.084  -1.387
  135   HD23  LEU  14          HD23      LEU  14  26.092   3.334  -0.963
  Start of MODEL    5
    1    H1   ILE   1           HT1      ILE   1   4.098   9.202   1.836
    2    H2   ILE   1           HT2      ILE   1   5.371   8.544   0.930
    3    H3   ILE   1           HT3      ILE   1   5.637   9.040   2.529
    4    HA   ILE   1           HA       ILE   1   3.994   7.337   3.252
    5    HB   ILE   1           HB       ILE   1   4.456   5.713   0.854
    6   HG12  ILE   1          HG12      ILE   1   2.941   8.327   0.596
    7   HG13  ILE   1          HG11      ILE   1   4.233   7.718  -0.441
    8   HG21  ILE   1          HG21      ILE   1   2.818   5.428   2.861
    9   HG22  ILE   1          HG22      ILE   1   2.247   5.015   1.246
   10   HG23  ILE   1          HG23      ILE   1   1.786   6.553   1.978
   11   HD11  ILE   1          HD11      ILE   1   2.216   7.315  -1.640
   12   HD12  ILE   1          HD12      ILE   1   1.398   6.702  -0.204
   13   HD13  ILE   1          HD13      ILE   1   2.674   5.752  -0.966
   14    H    ASN   2           HN       ASN   2   4.928   4.772   2.682
   15    HA   ASN   2           HA       ASN   2   7.827   4.792   2.655
   16    HB2  ASN   2           HB2      ASN   2   6.932   5.332   5.070
   17    HB3  ASN   2           HB1      ASN   2   6.579   3.602   5.111
   18   HD21  ASN   2          HD21      ASN   2   9.010   5.863   5.723
   19   HD22  ASN   2          HD22      ASN   2  10.345   4.816   5.679
   20    H    TRP   3           HN       TRP   3   8.394   3.023   1.532
   21    HA   TRP   3           HA       TRP   3   6.453   0.939   1.055
   22    HB2  TRP   3           HB2      TRP   3   9.324   1.194   0.138
   23    HB3  TRP   3           HB1      TRP   3   8.185  -0.038  -0.404
   24    HD1  TRP   3           HD1      TRP   3   9.581   2.752  -1.862
   25    HE1  TRP   3           HE1      TRP   3   7.968   4.087  -3.365
   26    HE3  TRP   3           HE3      TRP   3   5.080   0.973  -0.169
   27    HZ2  TRP   3           HZ2      TRP   3   5.158   4.383  -3.783
   28    HZ3  TRP   3           HZ3      TRP   3   2.962   1.818  -1.130
   29    HH2  TRP   3           HH2      TRP   3   2.993   3.515  -2.938
   30    H    LEU   4           HN       LEU   4   6.066  -0.427   2.580
   31    HA   LEU   4           HA       LEU   4   7.434  -1.117   4.797
   32    HB2  LEU   4           HB2      LEU   4   5.990  -3.244   3.234
   33    HB3  LEU   4           HB1      LEU   4   6.073  -3.022   4.977
   34    HG   LEU   4           HG       LEU   4   4.979  -0.649   4.304
   35   HD11  LEU   4          HD11      LEU   4   3.286  -2.196   2.502
   36   HD12  LEU   4          HD12      LEU   4   4.924  -2.029   1.872
   37   HD13  LEU   4          HD13      LEU   4   3.985  -0.594   2.280
   38   HD21  LEU   4          HD21      LEU   4   3.971  -2.082   5.945
   39   HD22  LEU   4          HD22      LEU   4   3.596  -3.310   4.735
   40   HD23  LEU   4          HD23      LEU   4   2.734  -1.771   4.727
   41    H    LYS   5           HN       LYS   5   7.877  -2.706   1.619
   42    HA   LYS   5           HA       LYS   5  10.186  -4.135   2.790
   43    HB2  LYS   5           HB2      LYS   5   8.535  -4.690   0.320
   44    HB3  LYS   5           HB1      LYS   5  10.033  -5.542   0.697
   45    HG2  LYS   5           HG2      LYS   5   8.569  -6.973   1.745
   46    HG3  LYS   5           HG1      LYS   5   8.780  -5.823   3.068
   47    HD2  LYS   5           HD2      LYS   5   6.802  -4.537   2.014
   48    HD3  LYS   5           HD1      LYS   5   6.501  -6.005   1.088
   49    HE2  LYS   5           HE2      LYS   5   6.587  -5.781   4.120
   50    HE3  LYS   5           HE1      LYS   5   5.144  -6.016   3.130
   51    HZ1  LYS   5           HZ1      LYS   5   5.772  -8.126   3.909
   52    HZ2  LYS   5           HZ2      LYS   5   7.406  -7.886   3.521
   53    HZ3  LYS   5           HZ3      LYS   5   6.255  -8.085   2.285
   54    H    LEU   6           HN       LEU   6   9.225  -2.322  -0.122
   55    HA   LEU   6           HA       LEU   6  11.736  -2.253  -1.353
   56    HB2  LEU   6           HB2      LEU   6   9.197  -0.953  -1.704
   57    HB3  LEU   6           HB1      LEU   6  10.492   0.228  -1.882
   58    HG   LEU   6           HG       LEU   6   9.941  -0.876  -4.038
   59   HD11  LEU   6          HD11      LEU   6  12.590  -2.055  -3.529
   60   HD12  LEU   6          HD12      LEU   6  12.440  -0.379  -3.002
   61   HD13  LEU   6          HD13      LEU   6  12.110  -0.809  -4.680
   62   HD21  LEU   6          HD21      LEU   6  11.127  -3.424  -3.683
   63   HD22  LEU   6          HD22      LEU   6   9.437  -3.063  -4.028
   64   HD23  LEU   6          HD23      LEU   6   9.979  -3.222  -2.361
   65    H    GLY   7           HN       GLY   7  10.301  -0.145   1.075
   66    HA2  GLY   7           HA2      GLY   7  12.134   1.911   1.178
   67    HA3  GLY   7           HA1      GLY   7  11.267   1.293   2.578
   68    H    LYS   8           HN       LYS   8  12.621  -1.413   2.091
   69    HA   LYS   8           HA       LYS   8  14.980  -0.788   3.687
   70    HB2  LYS   8           HB2      LYS   8  13.566  -3.341   2.948
   71    HB3  LYS   8           HB1      LYS   8  15.139  -3.346   3.747
   72    HG2  LYS   8           HG2      LYS   8  13.690  -3.424   5.579
   73    HG3  LYS   8           HG1      LYS   8  13.978  -1.694   5.437
   74    HD2  LYS   8           HD2      LYS   8  11.876  -1.687   3.898
   75    HD3  LYS   8           HD1      LYS   8  11.547  -3.268   4.603
   76    HE2  LYS   8           HE2      LYS   8  11.854  -0.639   6.084
   77    HE3  LYS   8           HE1      LYS   8  10.378  -1.583   5.914
   78    HZ1  LYS   8           HZ1      LYS   8  11.242  -3.281   7.270
   79    HZ2  LYS   8           HZ2      LYS   8  11.624  -1.833   8.067
   80    HZ3  LYS   8           HZ3      LYS   8  12.821  -2.657   7.201
   81    H    LYS   9           HN       LYS   9  14.179  -2.200   0.564
   82    HA   LYS   9           HA       LYS   9  16.679  -3.137  -0.214
   83    HB2  LYS   9           HB2      LYS   9  14.430  -1.892  -1.801
   84    HB3  LYS   9           HB1      LYS   9  15.917  -2.459  -2.571
   85    HG2  LYS   9           HG2      LYS   9  14.686  -4.415  -2.695
   86    HG3  LYS   9           HG1      LYS   9  15.417  -4.650  -1.110
   87    HD2  LYS   9           HD2      LYS   9  13.220  -3.227  -0.410
   88    HD3  LYS   9           HD1      LYS   9  12.603  -4.053  -1.841
   89    HE2  LYS   9           HE2      LYS   9  13.966  -5.426   0.499
   90    HE3  LYS   9           HE1      LYS   9  12.221  -5.353   0.251
   91    HZ1  LYS   9           HZ1      LYS   9  13.630  -6.246  -2.076
   92    HZ2  LYS   9           HZ2      LYS   9  12.310  -6.948  -1.274
   93    HZ3  LYS   9           HZ3      LYS   9  13.891  -7.257  -0.745
   94    H    ILE  10           HN       ILE  10  15.348   0.091  -0.223
   95    HA   ILE  10           HA       ILE  10  17.517   1.345  -1.593
   96    HB   ILE  10           HB       ILE  10  15.212   2.294   0.089
   97   HG12  ILE  10          HG12      ILE  10  14.483   3.272  -2.008
   98   HG13  ILE  10          HG11      ILE  10  16.029   2.904  -2.771
   99   HG21  ILE  10          HG21      ILE  10  16.945   3.860   0.683
  100   HG22  ILE  10          HG22      ILE  10  15.939   4.637  -0.539
  101   HG23  ILE  10          HG23      ILE  10  17.499   3.955  -0.988
  102   HD11  ILE  10          HD11      ILE  10  15.590   0.581  -2.816
  103   HD12  ILE  10          HD12      ILE  10  14.039   1.304  -3.235
  104   HD13  ILE  10          HD13      ILE  10  14.320   0.713  -1.602
  105    H    ILE  11           HN       ILE  11  16.731   0.712   1.793
  106    HA   ILE  11           HA       ILE  11  18.890   2.200   2.904
  107    HB   ILE  11           HB       ILE  11  17.384  -0.186   4.033
  108   HG12  ILE  11          HG12      ILE  11  16.205   2.129   3.404
  109   HG13  ILE  11          HG11      ILE  11  15.816   1.293   4.904
  110   HG21  ILE  11          HG21      ILE  11  19.397   0.035   5.281
  111   HG22  ILE  11          HG22      ILE  11  18.175   0.877   6.232
  112   HG23  ILE  11          HG23      ILE  11  19.314   1.796   5.248
  113   HD11  ILE  11          HD11      ILE  11  18.103   3.230   4.916
  114   HD12  ILE  11          HD12      ILE  11  16.988   2.799   6.214
  115   HD13  ILE  11          HD13      ILE  11  16.459   3.865   4.914
  116    H    ALA  12           HN       ALA  12  18.442  -0.915   1.479
  117    HA   ALA  12           HA       ALA  12  21.014  -1.973   2.303
  118    HB1  ALA  12           HB1      ALA  12  18.922  -3.373   1.814
  119    HB2  ALA  12           HB2      ALA  12  20.418  -3.920   1.054
  120    HB3  ALA  12           HB3      ALA  12  19.220  -3.037   0.108
  121    H    SER  13           HN       SER  13  19.531  -0.379  -0.448
  122    HA   SER  13           HA       SER  13  21.781  -0.737  -2.211
  123    HB2  SER  13           HB2      SER  13  19.609   1.366  -2.378
  124    HB3  SER  13           HB1      SER  13  20.624   0.769  -3.690
  125    HG   SER  13           HG       SER  13  18.848  -0.837  -2.144
  126    H    LEU  14           H1       LEU  14  21.402   2.001   0.779
  127    HA   LEU  14           HA       LEU  14  24.584   1.414   0.791
  128    HB2  LEU  14           HB2      LEU  14  24.221   2.300  -1.987
  129    HG   LEU  14           HG       LEU  14  26.063   0.814  -1.089
  130   HD11  LEU  14          HD11      LEU  14  27.927   2.167  -2.205
  131   HD12  LEU  14          HD12      LEU  14  26.735   3.444  -2.424
  132   HD13  LEU  14          HD13      LEU  14  26.495   1.874  -3.192
  133   HD21  LEU  14          HD21      LEU  14  27.953   2.111   0.068
  134   HD22  LEU  14          HD22      LEU  14  26.524   1.824   1.057
  135   HD23  LEU  14          HD23      LEU  14  26.785   3.407   0.324
  Start of MODEL    6
    1    H1   ILE   1           HT1      ILE   1   3.345   4.758  -5.662
    2    H2   ILE   1           HT2      ILE   1   3.429   3.226  -4.933
    3    H3   ILE   1           HT3      ILE   1   4.747   3.828  -5.809
    4    HA   ILE   1           HA       ILE   1   4.977   5.642  -4.196
    5    HB   ILE   1           HB       ILE   1   3.424   4.220  -2.141
    6   HG12  ILE   1          HG12      ILE   1   1.964   5.542  -4.459
    7   HG13  ILE   1          HG11      ILE   1   1.863   3.839  -4.003
    8   HG21  ILE   1          HG21      ILE   1   3.104   7.078  -3.028
    9   HG22  ILE   1          HG22      ILE   1   4.541   6.563  -2.146
   10   HG23  ILE   1          HG23      ILE   1   2.947   6.399  -1.410
   11   HD11  ILE   1          HD11      ILE   1   1.120   4.726  -1.673
   12   HD12  ILE   1          HD12      ILE   1  -0.045   4.786  -2.994
   13   HD13  ILE   1          HD13      ILE   1   0.815   6.247  -2.517
   14    H    ASN   2           HN       ASN   2   5.650   4.889  -1.678
   15    HA   ASN   2           HA       ASN   2   7.467   2.614  -2.161
   16    HB2  ASN   2           HB2      ASN   2   8.616   4.647  -1.530
   17    HB3  ASN   2           HB1      ASN   2   7.562   4.860  -0.132
   18   HD21  ASN   2          HD21      ASN   2   8.869   4.443   1.658
   19   HD22  ASN   2          HD22      ASN   2   9.872   3.083   1.822
   20    H    TRP   3           HN       TRP   3   7.210   0.757  -1.056
   21    HA   TRP   3           HA       TRP   3   5.065   0.657   0.942
   22    HB2  TRP   3           HB2      TRP   3   6.476  -1.624  -0.448
   23    HB3  TRP   3           HB1      TRP   3   5.052  -1.746   0.582
   24    HD1  TRP   3           HD1      TRP   3   5.523  -2.222  -2.763
   25    HE1  TRP   3           HE1      TRP   3   3.688  -1.242  -4.288
   26    HE3  TRP   3           HE3      TRP   3   3.352   1.117   0.464
   27    HZ2  TRP   3           HZ2      TRP   3   1.597   0.680  -4.166
   28    HZ3  TRP   3           HZ3      TRP   3   1.443   2.499  -0.282
   29    HH2  TRP   3           HH2      TRP   3   0.562   2.287  -2.589
   30    H    LEU   4           HN       LEU   4   5.584  -1.410   2.442
   31    HA   LEU   4           HA       LEU   4   7.404  -0.445   4.371
   32    HB2  LEU   4           HB2      LEU   4   6.013  -3.129   4.077
   33    HB3  LEU   4           HB1      LEU   4   6.961  -2.672   5.489
   34    HG   LEU   4           HG       LEU   4   4.696  -2.176   6.036
   35   HD11  LEU   4          HD11      LEU   4   5.680   0.495   5.069
   36   HD12  LEU   4          HD12      LEU   4   6.547  -0.373   6.339
   37   HD13  LEU   4          HD13      LEU   4   4.863   0.094   6.576
   38   HD21  LEU   4          HD21      LEU   4   4.321  -0.373   3.670
   39   HD22  LEU   4          HD22      LEU   4   3.119  -1.266   4.598
   40   HD23  LEU   4          HD23      LEU   4   4.135  -2.114   3.436
   41    H    LYS   5           HN       LYS   5   7.624  -3.137   2.071
   42    HA   LYS   5           HA       LYS   5  10.278  -3.828   3.024
   43    HB2  LYS   5           HB2      LYS   5   8.566  -4.967   0.802
   44    HB3  LYS   5           HB1      LYS   5  10.160  -5.579   1.236
   45    HG2  LYS   5           HG2      LYS   5   8.158  -6.785   2.296
   46    HG3  LYS   5           HG1      LYS   5   9.430  -6.266   3.401
   47    HD2  LYS   5           HD2      LYS   5   8.157  -4.357   4.103
   48    HD3  LYS   5           HD1      LYS   5   6.955  -4.605   2.838
   49    HE2  LYS   5           HE2      LYS   5   7.076  -5.732   5.494
   50    HE3  LYS   5           HE1      LYS   5   5.769  -5.803   4.314
   51    HZ1  LYS   5           HZ1      LYS   5   6.778  -7.993   5.027
   52    HZ2  LYS   5           HZ2      LYS   5   8.150  -7.558   4.140
   53    HZ3  LYS   5           HZ3      LYS   5   6.658  -7.739   3.354
   54    H    LEU   6           HN       LEU   6   8.821  -2.295   0.228
   55    HA   LEU   6           HA       LEU   6  10.877  -2.215  -1.583
   56    HB2  LEU   6           HB2      LEU   6   8.556  -0.522  -0.965
   57    HB3  LEU   6           HB1      LEU   6   9.861   0.318  -1.789
   58    HG   LEU   6           HG       LEU   6   9.909  -1.466  -3.522
   59   HD11  LEU   6          HD11      LEU   6   7.755  -2.572  -1.732
   60   HD12  LEU   6          HD12      LEU   6   9.081  -3.412  -2.534
   61   HD13  LEU   6          HD13      LEU   6   7.680  -2.888  -3.465
   62   HD21  LEU   6          HD21      LEU   6   7.151  -0.263  -3.102
   63   HD22  LEU   6          HD22      LEU   6   7.829  -0.812  -4.633
   64   HD23  LEU   6          HD23      LEU   6   8.524   0.582  -3.813
   65    H    GLY   7           HN       GLY   7  10.395   0.030   1.138
   66    HA2  GLY   7           HA2      GLY   7  12.569   1.726   0.579
   67    HA3  GLY   7           HA1      GLY   7  11.807   1.535   2.150
   68    H    LYS   8           HN       LYS   8  12.439  -1.289   2.438
   69    HA   LYS   8           HA       LYS   8  14.875  -1.106   3.785
   70    HB2  LYS   8           HB2      LYS   8  13.937  -3.692   2.569
   71    HB3  LYS   8           HB1      LYS   8  14.776  -3.434   4.097
   72    HG2  LYS   8           HG2      LYS   8  11.920  -2.618   3.462
   73    HG3  LYS   8           HG1      LYS   8  12.409  -3.938   4.517
   74    HD2  LYS   8           HD2      LYS   8  13.714  -1.472   5.308
   75    HD3  LYS   8           HD1      LYS   8  11.968  -1.257   5.247
   76    HE2  LYS   8           HE2      LYS   8  12.619  -2.050   7.476
   77    HE3  LYS   8           HE1      LYS   8  11.689  -3.298   6.643
   78    HZ1  LYS   8           HZ1      LYS   8  13.620  -4.265   7.656
   79    HZ2  LYS   8           HZ2      LYS   8  14.645  -3.167   6.875
   80    HZ3  LYS   8           HZ3      LYS   8  13.792  -4.332   5.977
   81    H    LYS   9           HN       LYS   9  14.196  -2.149   0.515
   82    HA   LYS   9           HA       LYS   9  16.729  -3.122  -0.170
   83    HB2  LYS   9           HB2      LYS   9  14.611  -1.771  -1.860
   84    HB3  LYS   9           HB1      LYS   9  16.046  -2.557  -2.520
   85    HG2  LYS   9           HG2      LYS   9  14.751  -4.420  -2.559
   86    HG3  LYS   9           HG1      LYS   9  15.123  -4.511  -0.841
   87    HD2  LYS   9           HD2      LYS   9  13.062  -2.947  -0.536
   88    HD3  LYS   9           HD1      LYS   9  12.638  -3.444  -2.173
   89    HE2  LYS   9           HE2      LYS   9  12.988  -5.210   0.259
   90    HE3  LYS   9           HE1      LYS   9  11.522  -4.965  -0.694
   91    HZ1  LYS   9           HZ1      LYS   9  13.962  -5.998  -1.975
   92    HZ2  LYS   9           HZ2      LYS   9  12.344  -6.202  -2.439
   93    HZ3  LYS   9           HZ3      LYS   9  12.962  -7.050  -1.109
   94    H    ILE  10           HN       ILE  10  15.465   0.139  -0.010
   95    HA   ILE  10           HA       ILE  10  17.680   1.349  -1.375
   96    HB   ILE  10           HB       ILE  10  15.447   2.401   0.352
   97   HG12  ILE  10          HG12      ILE  10  14.785   3.482  -1.771
   98   HG13  ILE  10          HG11      ILE  10  16.205   2.798  -2.561
   99   HG21  ILE  10          HG21      ILE  10  16.353   4.688  -0.528
  100   HG22  ILE  10          HG22      ILE  10  17.888   3.837  -0.676
  101   HG23  ILE  10          HG23      ILE  10  17.101   3.970   0.896
  102   HD11  ILE  10          HD11      ILE  10  14.138   1.077  -1.185
  103   HD12  ILE  10          HD12      ILE  10  15.387   0.566  -2.319
  104   HD13  ILE  10          HD13      ILE  10  14.018   1.521  -2.885
  105    H    ILE  11           HN       ILE  11  16.897   0.629   1.997
  106    HA   ILE  11           HA       ILE  11  18.977   2.115   3.191
  107    HB   ILE  11           HB       ILE  11  17.881  -0.552   4.140
  108   HG12  ILE  11          HG12      ILE  11  16.167   1.286   3.563
  109   HG13  ILE  11          HG11      ILE  11  16.100   0.603   5.185
  110   HG21  ILE  11          HG21      ILE  11  19.362   1.733   5.456
  111   HG22  ILE  11          HG22      ILE  11  19.734   0.010   5.506
  112   HG23  ILE  11          HG23      ILE  11  18.351   0.638   6.401
  113   HD11  ILE  11          HD11      ILE  11  17.349   2.498   6.089
  114   HD12  ILE  11          HD12      ILE  11  15.961   3.104   5.195
  115   HD13  ILE  11          HD13      ILE  11  17.566   3.169   4.474
  116    H    ALA  12           HN       ALA  12  18.761  -0.938   1.595
  117    HA   ALA  12           HA       ALA  12  21.475  -1.750   2.210
  118    HB1  ALA  12           HB1      ALA  12  19.703  -3.008   0.132
  119    HB2  ALA  12           HB2      ALA  12  19.390  -3.262   1.849
  120    HB3  ALA  12           HB3      ALA  12  20.929  -3.763   1.150
  121    H    SER  13           HN       SER  13  19.659  -0.295  -0.434
  122    HA   SER  13           HA       SER  13  21.926  -0.457  -2.261
  123    HB2  SER  13           HB2      SER  13  19.329   1.007  -2.715
  124    HB3  SER  13           HB1      SER  13  20.463   0.401  -3.918
  125    HG   SER  13           HG       SER  13  18.877  -1.118  -2.102
  126    H    LEU  14           H1       LEU  14  20.959   2.608   0.118
  127    HA   LEU  14           HA       LEU  14  24.269   2.777  -0.034
  128    HB2  LEU  14           HB2      LEU  14  23.168   3.416  -2.752
  129    HG   LEU  14           HG       LEU  14  25.194   1.904  -2.308
  130   HD11  LEU  14          HD11      LEU  14  25.894   4.396  -3.867
  131   HD12  LEU  14          HD12      LEU  14  24.673   3.259  -4.436
  132   HD13  LEU  14          HD13      LEU  14  26.340   2.728  -4.220
  133   HD21  LEU  14          HD21      LEU  14  27.317   3.243  -1.880
  134   HD22  LEU  14          HD22      LEU  14  26.249   3.071  -0.488
  135   HD23  LEU  14          HD23      LEU  14  26.283   4.582  -1.396
  Start of MODEL    7
    1    H1   ILE   1           HT1      ILE   1   5.327   7.963   0.858
    2    H2   ILE   1           HT2      ILE   1   6.109   7.890  -0.641
    3    H3   ILE   1           HT3      ILE   1   6.277   9.266   0.341
    4    HA   ILE   1           HA       ILE   1   8.253   8.161   0.685
    5    HB   ILE   1           HB       ILE   1   7.151   6.658   2.891
    6   HG12  ILE   1          HG12      ILE   1   5.919   9.386   2.376
    7   HG13  ILE   1          HG11      ILE   1   5.073   7.862   2.652
    8   HG21  ILE   1          HG21      ILE   1   8.506   9.370   2.724
    9   HG22  ILE   1          HG22      ILE   1   9.330   7.817   2.869
   10   HG23  ILE   1          HG23      ILE   1   8.329   8.411   4.194
   11   HD11  ILE   1          HD11      ILE   1   4.965   9.023   4.724
   12   HD12  ILE   1          HD12      ILE   1   6.661   9.502   4.637
   13   HD13  ILE   1          HD13      ILE   1   6.232   7.817   4.939
   14    H    ASN   2           HN       ASN   2   9.325   6.017   1.233
   15    HA   ASN   2           HA       ASN   2   8.424   4.032  -0.657
   16    HB2  ASN   2           HB2      ASN   2  10.441   2.832  -0.078
   17    HB3  ASN   2           HB1      ASN   2  10.835   4.541  -0.261
   18   HD21  ASN   2          HD21      ASN   2  11.655   5.641   1.565
   19   HD22  ASN   2          HD22      ASN   2  11.872   4.907   3.082
   20    H    TRP   3           HN       TRP   3   7.947   1.817  -0.150
   21    HA   TRP   3           HA       TRP   3   6.297   1.565   2.207
   22    HB2  TRP   3           HB2      TRP   3   6.817  -0.062  -0.230
   23    HB3  TRP   3           HB1      TRP   3   6.254  -0.922   1.201
   24    HD1  TRP   3           HD1      TRP   3   4.851   0.507  -1.729
   25    HE1  TRP   3           HE1      TRP   3   2.427   1.328  -1.388
   26    HE3  TRP   3           HE3      TRP   3   4.663   0.597   3.380
   27    HZ2  TRP   3           HZ2      TRP   3   0.660   1.946   0.773
   28    HZ3  TRP   3           HZ3      TRP   3   2.604   1.303   4.551
   29    HH2  TRP   3           HH2      TRP   3   0.598   1.980   3.261
   30    H    LEU   4           HN       LEU   4   6.511   0.022   3.829
   31    HA   LEU   4           HA       LEU   4   8.817  -0.107   5.223
   32    HB2  LEU   4           HB2      LEU   4   7.600  -2.669   5.596
   33    HB3  LEU   4           HB1      LEU   4   7.558  -1.262   6.652
   34    HG   LEU   4           HG       LEU   4   5.731  -1.474   4.253
   35   HD11  LEU   4          HD11      LEU   4   4.036  -2.242   6.053
   36   HD12  LEU   4          HD12      LEU   4   5.454  -2.696   6.999
   37   HD13  LEU   4          HD13      LEU   4   5.166  -3.440   5.425
   38   HD21  LEU   4          HD21      LEU   4   6.050   0.721   5.447
   39   HD22  LEU   4          HD22      LEU   4   5.471  -0.047   6.923
   40   HD23  LEU   4          HD23      LEU   4   4.395   0.118   5.536
   41    H    LYS   5           HN       LYS   5   7.863  -2.423   2.708
   42    HA   LYS   5           HA       LYS   5  10.278  -3.984   3.092
   43    HB2  LYS   5           HB2      LYS   5   7.903  -4.150   1.261
   44    HB3  LYS   5           HB1      LYS   5   9.348  -5.101   0.928
   45    HG2  LYS   5           HG2      LYS   5   7.957  -6.510   2.252
   46    HG3  LYS   5           HG1      LYS   5   9.201  -5.912   3.346
   47    HD2  LYS   5           HD2      LYS   5   7.138  -3.990   3.429
   48    HD3  LYS   5           HD1      LYS   5   6.336  -5.557   3.495
   49    HE2  LYS   5           HE2      LYS   5   8.571  -4.602   5.320
   50    HE3  LYS   5           HE1      LYS   5   6.891  -4.892   5.775
   51    HZ1  LYS   5           HZ1      LYS   5   7.709  -6.899   6.341
   52    HZ2  LYS   5           HZ2      LYS   5   9.031  -6.798   5.284
   53    HZ3  LYS   5           HZ3      LYS   5   7.497  -7.236   4.693
   54    H    LEU   6           HN       LEU   6   8.951  -1.871   0.532
   55    HA   LEU   6           HA       LEU   6  11.040  -2.088  -1.289
   56    HB2  LEU   6           HB2      LEU   6   8.824  -0.304  -0.852
   57    HB3  LEU   6           HB1      LEU   6  10.255   0.638  -1.255
   58    HG   LEU   6           HG       LEU   6   8.948  -0.052  -3.265
   59   HD11  LEU   6          HD11      LEU   6  11.691  -0.059  -2.847
   60   HD12  LEU   6          HD12      LEU   6  10.886  -0.063  -4.415
   61   HD13  LEU   6          HD13      LEU   6  11.407  -1.582  -3.690
   62   HD21  LEU   6          HD21      LEU   6   8.201  -2.162  -3.475
   63   HD22  LEU   6          HD22      LEU   6   8.939  -2.573  -1.929
   64   HD23  LEU   6          HD23      LEU   6   9.851  -2.779  -3.423
   65    H    GLY   7           HN       GLY   7  10.690   0.065   1.500
   66    HA2  GLY   7           HA2      GLY   7  12.963   1.614   1.225
   67    HA3  GLY   7           HA1      GLY   7  12.256   1.169   2.772
   68    H    LYS   8           HN       LYS   8  12.707  -1.653   2.605
   69    HA   LYS   8           HA       LYS   8  15.238  -1.841   3.757
   70    HB2  LYS   8           HB2      LYS   8  13.304  -3.810   2.649
   71    HB3  LYS   8           HB1      LYS   8  14.957  -4.360   2.919
   72    HG2  LYS   8           HG2      LYS   8  13.237  -4.567   4.878
   73    HG3  LYS   8           HG1      LYS   8  14.855  -3.965   5.232
   74    HD2  LYS   8           HD2      LYS   8  14.128  -1.741   5.429
   75    HD3  LYS   8           HD1      LYS   8  12.655  -2.040   4.514
   76    HE2  LYS   8           HE2      LYS   8  12.162  -3.707   6.541
   77    HE3  LYS   8           HE1      LYS   8  13.246  -2.603   7.386
   78    HZ1  LYS   8           HZ1      LYS   8  10.884  -1.952   7.498
   79    HZ2  LYS   8           HZ2      LYS   8  10.881  -1.743   5.810
   80    HZ3  LYS   8           HZ3      LYS   8  11.865  -0.766   6.794
   81    H    LYS   9           HN       LYS   9  14.256  -2.326   0.423
   82    HA   LYS   9           HA       LYS   9  16.805  -3.221  -0.500
   83    HB2  LYS   9           HB2      LYS   9  14.564  -1.870  -2.048
   84    HB3  LYS   9           HB1      LYS   9  15.925  -2.756  -2.744
   85    HG2  LYS   9           HG2      LYS   9  14.555  -4.569  -2.639
   86    HG3  LYS   9           HG1      LYS   9  14.982  -4.584  -0.931
   87    HD2  LYS   9           HD2      LYS   9  12.998  -2.964  -0.610
   88    HD3  LYS   9           HD1      LYS   9  12.510  -3.447  -2.236
   89    HE2  LYS   9           HE2      LYS   9  12.737  -5.158   0.229
   90    HE3  LYS   9           HE1      LYS   9  11.349  -4.954  -0.835
   91    HZ1  LYS   9           HZ1      LYS   9  13.891  -6.345  -1.480
   92    HZ2  LYS   9           HZ2      LYS   9  12.647  -6.046  -2.603
   93    HZ3  LYS   9           HZ3      LYS   9  12.370  -7.057  -1.270
   94    H    ILE  10           HN       ILE  10  15.261  -0.111  -0.137
   95    HA   ILE  10           HA       ILE  10  17.340   1.367  -1.472
   96    HB   ILE  10           HB       ILE  10  15.462   2.570   0.529
   97   HG12  ILE  10          HG12      ILE  10  13.816   1.381  -0.614
   98   HG13  ILE  10          HG11      ILE  10  13.933   2.827  -1.605
   99   HG21  ILE  10          HG21      ILE  10  15.531   4.438  -1.064
  100   HG22  ILE  10          HG22      ILE  10  16.543   3.481  -2.146
  101   HG23  ILE  10          HG23      ILE  10  17.153   3.968  -0.565
  102   HD11  ILE  10          HD11      ILE  10  14.731   0.044  -2.234
  103   HD12  ILE  10          HD12      ILE  10  15.831   1.298  -2.798
  104   HD13  ILE  10          HD13      ILE  10  14.143   1.315  -3.300
  105    H    ILE  11           HN       ILE  11  16.572   0.470   1.834
  106    HA   ILE  11           HA       ILE  11  18.453   2.168   3.095
  107    HB   ILE  11           HB       ILE  11  17.182  -0.458   3.923
  108   HG12  ILE  11          HG12      ILE  11  15.818   1.709   3.665
  109   HG13  ILE  11          HG11      ILE  11  15.698   0.876   5.210
  110   HG21  ILE  11          HG21      ILE  11  17.970   0.326   6.263
  111   HG22  ILE  11          HG22      ILE  11  19.133   1.320   5.386
  112   HG23  ILE  11          HG23      ILE  11  19.157  -0.436   5.206
  113   HD11  ILE  11          HD11      ILE  11  17.932   2.701   5.294
  114   HD12  ILE  11          HD12      ILE  11  16.480   2.684   6.293
  115   HD13  ILE  11          HD13      ILE  11  16.488   3.563   4.766
  116    H    ALA  12           HN       ALA  12  18.588  -0.900   1.502
  117    HA   ALA  12           HA       ALA  12  21.279  -1.540   2.363
  118    HB1  ALA  12           HB1      ALA  12  19.951  -3.438   1.951
  119    HB2  ALA  12           HB2      ALA  12  20.958  -3.323   0.508
  120    HB3  ALA  12           HB3      ALA  12  19.286  -2.765   0.462
  121    H    SER  13           HN       SER  13  19.657  -0.143  -0.436
  122    HA   SER  13           HA       SER  13  21.982  -0.136  -2.116
  123    HB2  SER  13           HB2      SER  13  19.533   1.620  -2.365
  124    HB3  SER  13           HB1      SER  13  20.634   1.119  -3.645
  125    HG   SER  13           HG       SER  13  18.772  -0.448  -2.168
  126    H    LEU  14           H1       LEU  14  21.464   3.940  -0.374
  127    HA   LEU  14           HA       LEU  14  24.541   2.403   0.739
  128    HB2  LEU  14           HB2      LEU  14  23.830   3.338  -1.932
  129    HG   LEU  14           HG       LEU  14  26.008   2.348  -1.205
  130   HD11  LEU  14          HD11      LEU  14  27.417   3.974  -2.397
  131   HD12  LEU  14          HD12      LEU  14  26.166   5.201  -2.223
  132   HD13  LEU  14          HD13      LEU  14  25.870   3.774  -3.216
  133   HD21  LEU  14          HD21      LEU  14  26.607   3.127   0.865
  134   HD22  LEU  14          HD22      LEU  14  25.903   4.722   0.596
  135   HD23  LEU  14          HD23      LEU  14  27.471   4.317  -0.103
  Start of MODEL    8
    1    H1   ILE   1           HT1      ILE   1   3.192   6.782   0.620
    2    H2   ILE   1           HT2      ILE   1   4.078   5.709   1.590
    3    H3   ILE   1           HT3      ILE   1   3.067   5.115   0.363
    4    HA   ILE   1           HA       ILE   1   4.440   6.045  -1.329
    5    HB   ILE   1           HB       ILE   1   6.493   6.879   0.693
    6   HG12  ILE   1          HG12      ILE   1   3.963   8.415   0.011
    7   HG13  ILE   1          HG11      ILE   1   4.569   8.000   1.615
    8   HG21  ILE   1          HG21      ILE   1   6.609   6.856  -1.936
    9   HG22  ILE   1          HG22      ILE   1   7.247   8.246  -1.059
   10   HG23  ILE   1          HG23      ILE   1   5.652   8.332  -1.809
   11   HD11  ILE   1          HD11      ILE   1   5.962   9.852  -0.343
   12   HD12  ILE   1          HD12      ILE   1   6.500   9.473   1.293
   13   HD13  ILE   1          HD13      ILE   1   5.006  10.375   1.043
   14    H    ASN   2           HN       ASN   2   7.379   5.647  -0.329
   15    HA   ASN   2           HA       ASN   2   7.828   3.076  -1.107
   16    HB2  ASN   2           HB2      ASN   2   9.483   4.919  -0.197
   17    HB3  ASN   2           HB1      ASN   2   9.330   4.010   1.304
   18   HD21  ASN   2          HD21      ASN   2  11.622   4.230  -0.770
   19   HD22  ASN   2          HD22      ASN   2  12.013   2.607  -1.079
   20    H    TRP   3           HN       TRP   3   7.554   1.051  -0.310
   21    HA   TRP   3           HA       TRP   3   5.909   0.780   2.076
   22    HB2  TRP   3           HB2      TRP   3   6.776  -1.145  -0.084
   23    HB3  TRP   3           HB1      TRP   3   5.918  -1.674   1.363
   24    HD1  TRP   3           HD1      TRP   3   5.486   0.659  -1.667
   25    HE1  TRP   3           HE1      TRP   3   2.967   0.998  -2.082
   26    HE3  TRP   3           HE3      TRP   3   3.585  -1.811   2.387
   27    HZ2  TRP   3           HZ2      TRP   3   0.476   0.323  -0.856
   28    HZ3  TRP   3           HZ3      TRP   3   1.128  -1.940   2.735
   29    HH2  TRP   3           HH2      TRP   3  -0.424  -0.878   1.116
   30    H    LEU   4           HN       LEU   4   6.429  -0.478   3.864
   31    HA   LEU   4           HA       LEU   4   8.862  -0.228   5.051
   32    HB2  LEU   4           HB2      LEU   4   7.405  -2.812   5.469
   33    HB3  LEU   4           HB1      LEU   4   8.174  -1.761   6.653
   34    HG   LEU   4           HG       LEU   4   6.288  -0.056   5.758
   35   HD11  LEU   4          HD11      LEU   4   4.579  -2.472   5.852
   36   HD12  LEU   4          HD12      LEU   4   5.550  -2.312   4.388
   37   HD13  LEU   4          HD13      LEU   4   4.431  -1.031   4.851
   38   HD21  LEU   4          HD21      LEU   4   6.015  -2.231   7.844
   39   HD22  LEU   4          HD22      LEU   4   4.871  -0.900   7.682
   40   HD23  LEU   4          HD23      LEU   4   6.554  -0.568   8.086
   41    H    LYS   5           HN       LYS   5   7.966  -2.675   2.690
   42    HA   LYS   5           HA       LYS   5  10.440  -4.157   3.114
   43    HB2  LYS   5           HB2      LYS   5   8.071  -4.508   1.279
   44    HB3  LYS   5           HB1      LYS   5   9.546  -5.453   1.066
   45    HG2  LYS   5           HG2      LYS   5   8.208  -6.811   2.462
   46    HG3  LYS   5           HG1      LYS   5   9.309  -6.015   3.587
   47    HD2  LYS   5           HD2      LYS   5   7.224  -4.207   3.445
   48    HD3  LYS   5           HD1      LYS   5   6.380  -5.748   3.321
   49    HE2  LYS   5           HE2      LYS   5   8.247  -4.833   5.525
   50    HE3  LYS   5           HE1      LYS   5   6.536  -5.239   5.661
   51    HZ1  LYS   5           HZ1      LYS   5   7.421  -7.192   6.333
   52    HZ2  LYS   5           HZ2      LYS   5   8.852  -7.002   5.443
   53    HZ3  LYS   5           HZ3      LYS   5   7.426  -7.499   4.667
   54    H    LEU   6           HN       LEU   6   8.975  -2.122   0.612
   55    HA   LEU   6           HA       LEU   6  11.038  -2.322  -1.269
   56    HB2  LEU   6           HB2      LEU   6   8.875  -0.324  -0.718
   57    HB3  LEU   6           HB1      LEU   6  10.103   0.020  -1.930
   58    HG   LEU   6           HG       LEU   6   8.536  -2.566  -1.910
   59   HD11  LEU   6          HD11      LEU   6   6.977  -1.634  -3.435
   60   HD12  LEU   6          HD12      LEU   6   7.942  -0.173  -3.646
   61   HD13  LEU   6          HD13      LEU   6   7.099  -0.463  -2.125
   62   HD21  LEU   6          HD21      LEU   6  10.497  -2.732  -3.257
   63   HD22  LEU   6          HD22      LEU   6  10.272  -1.110  -3.914
   64   HD23  LEU   6          HD23      LEU   6   9.177  -2.413  -4.378
   65    H    GLY   7           HN       GLY   7  10.555  -0.170   1.483
   66    HA2  GLY   7           HA2      GLY   7  12.633   1.648   0.994
   67    HA3  GLY   7           HA1      GLY   7  11.978   1.257   2.578
   68    H    LYS   8           HN       LYS   8  12.651  -1.544   2.505
   69    HA   LYS   8           HA       LYS   8  15.194  -1.438   3.663
   70    HB2  LYS   8           HB2      LYS   8  13.846  -3.845   2.437
   71    HB3  LYS   8           HB1      LYS   8  15.168  -3.876   3.598
   72    HG2  LYS   8           HG2      LYS   8  12.285  -3.244   4.033
   73    HG3  LYS   8           HG1      LYS   8  13.401  -4.120   5.070
   74    HD2  LYS   8           HD2      LYS   8  14.576  -1.813   5.387
   75    HD3  LYS   8           HD1      LYS   8  13.068  -1.130   4.773
   76    HE2  LYS   8           HE2      LYS   8  13.038  -3.155   7.000
   77    HE3  LYS   8           HE1      LYS   8  13.344  -1.455   7.347
   78    HZ1  LYS   8           HZ1      LYS   8  10.953  -2.318   7.397
   79    HZ2  LYS   8           HZ2      LYS   8  11.033  -2.269   5.699
   80    HZ3  LYS   8           HZ3      LYS   8  11.252  -0.847   6.605
   81    H    LYS   9           HN       LYS   9  14.237  -2.227   0.366
   82    HA   LYS   9           HA       LYS   9  16.767  -3.097  -0.541
   83    HB2  LYS   9           HB2      LYS   9  14.597  -1.613  -2.071
   84    HB3  LYS   9           HB1      LYS   9  15.974  -2.442  -2.799
   85    HG2  LYS   9           HG2      LYS   9  14.576  -4.230  -2.896
   86    HG3  LYS   9           HG1      LYS   9  14.977  -4.423  -1.190
   87    HD2  LYS   9           HD2      LYS   9  13.016  -2.972  -0.617
   88    HD3  LYS   9           HD1      LYS   9  12.587  -2.937  -2.329
   89    HE2  LYS   9           HE2      LYS   9  12.590  -5.296  -0.447
   90    HE3  LYS   9           HE1      LYS   9  11.261  -4.683  -1.430
   91    HZ1  LYS   9           HZ1      LYS   9  13.733  -5.981  -2.434
   92    HZ2  LYS   9           HZ2      LYS   9  12.523  -5.318  -3.416
   93    HZ3  LYS   9           HZ3      LYS   9  12.172  -6.653  -2.431
   94    H    ILE  10           HN       ILE  10  15.289   0.032  -0.117
   95    HA   ILE  10           HA       ILE  10  17.378   1.520  -1.369
   96    HB   ILE  10           HB       ILE  10  15.567   2.659   0.733
   97   HG12  ILE  10          HG12      ILE  10  13.922   1.487  -0.452
   98   HG13  ILE  10          HG11      ILE  10  13.969   3.016  -1.325
   99   HG21  ILE  10          HG21      ILE  10  15.783   4.642  -0.517
  100   HG22  ILE  10          HG22      ILE  10  16.312   3.780  -1.960
  101   HG23  ILE  10          HG23      ILE  10  17.396   3.930  -0.577
  102   HD11  ILE  10          HD11      ILE  10  14.925   0.311  -2.154
  103   HD12  ILE  10          HD12      ILE  10  15.823   1.705  -2.746
  104   HD13  ILE  10          HD13      ILE  10  14.104   1.544  -3.101
  105    H    ILE  11           HN       ILE  11  16.646   0.532   1.942
  106    HA   ILE  11           HA       ILE  11  18.684   2.090   3.150
  107    HB   ILE  11           HB       ILE  11  17.480  -0.526   4.117
  108   HG12  ILE  11          HG12      ILE  11  15.986   1.602   3.578
  109   HG13  ILE  11          HG11      ILE  11  15.721   0.677   5.052
  110   HG21  ILE  11          HG21      ILE  11  18.948   1.700   5.570
  111   HG22  ILE  11          HG22      ILE  11  19.523   0.050   5.326
  112   HG23  ILE  11          HG23      ILE  11  18.129   0.354   6.362
  113   HD11  ILE  11          HD11      ILE  11  15.915   3.265   5.224
  114   HD12  ILE  11          HD12      ILE  11  17.646   2.991   5.031
  115   HD13  ILE  11          HD13      ILE  11  16.787   2.278   6.396
  116    H    ALA  12           HN       ALA  12  18.535  -0.963   1.533
  117    HA   ALA  12           HA       ALA  12  21.204  -1.811   2.289
  118    HB1  ALA  12           HB1      ALA  12  20.773  -3.590   0.577
  119    HB2  ALA  12           HB2      ALA  12  19.221  -2.827   0.238
  120    HB3  ALA  12           HB3      ALA  12  19.534  -3.512   1.832
  121    H    SER  13           HN       SER  13  19.587  -0.139  -0.312
  122    HA   SER  13           HA       SER  13  21.747  -0.206  -2.180
  123    HB2  SER  13           HB2      SER  13  19.482   1.792  -1.973
  124    HB3  SER  13           HB1      SER  13  20.497   1.501  -3.382
  125    HG   SER  13           HG       SER  13  18.789  -0.411  -2.114
  126    H    LEU  14           H1       LEU  14  21.711   3.412   0.243
  127    HA   LEU  14           HA       LEU  14  24.862   1.707   0.595
  128    HB2  LEU  14           HB2      LEU  14  23.760   3.319  -1.660
  129    HG   LEU  14           HG       LEU  14  25.701   1.585  -1.672
  130   HD11  LEU  14          HD11      LEU  14  26.854   2.824  -3.397
  131   HD12  LEU  14          HD12      LEU  14  26.308   4.357  -2.721
  132   HD13  LEU  14          HD13      LEU  14  25.149   3.269  -3.480
  133   HD21  LEU  14          HD21      LEU  14  26.719   3.706   0.117
  134   HD22  LEU  14          HD22      LEU  14  27.841   3.256  -1.164
  135   HD23  LEU  14          HD23      LEU  14  27.247   2.031  -0.045
  Start of MODEL    9
    1    H1   ILE   1           HT1      ILE   1   7.541   8.842  -0.170
    2    H2   ILE   1           HT2      ILE   1   6.154   9.299   0.688
    3    H3   ILE   1           HT3      ILE   1   6.278   7.736   0.042
    4    HA   ILE   1           HA       ILE   1   8.105   8.793   2.104
    5    HB   ILE   1           HB       ILE   1   6.403   6.743   3.094
    6   HG12  ILE   1          HG12      ILE   1   4.860   7.596   1.221
    7   HG13  ILE   1          HG11      ILE   1   4.191   7.544   2.844
    8   HG21  ILE   1          HG21      ILE   1   7.495   8.461   4.459
    9   HG22  ILE   1          HG22      ILE   1   5.755   8.465   4.738
   10   HG23  ILE   1          HG23      ILE   1   6.486   9.706   3.721
   11   HD11  ILE   1          HD11      ILE   1   3.830   9.761   2.843
   12   HD12  ILE   1          HD12      ILE   1   4.316   9.790   1.149
   13   HD13  ILE   1          HD13      ILE   1   5.508  10.084   2.413
   14    H    ASN   2           HN       ASN   2   9.175   6.919   3.177
   15    HA   ASN   2           HA       ASN   2  10.104   5.046   1.174
   16    HB2  ASN   2           HB2      ASN   2  11.635   6.052   2.879
   17    HB3  ASN   2           HB1      ASN   2  10.774   5.156   4.130
   18   HD21  ASN   2          HD21      ASN   2  12.763   3.903   4.591
   19   HD22  ASN   2          HD22      ASN   2  13.263   2.675   3.535
   20    H    TRP   3           HN       TRP   3   9.162   3.129   0.782
   21    HA   TRP   3           HA       TRP   3   7.030   2.208   2.484
   22    HB2  TRP   3           HB2      TRP   3   8.232   0.943   0.019
   23    HB3  TRP   3           HB1      TRP   3   6.741   0.436   0.812
   24    HD1  TRP   3           HD1      TRP   3   7.683   2.353  -2.033
   25    HE1  TRP   3           HE1      TRP   3   5.956   4.177  -2.619
   26    HE3  TRP   3           HE3      TRP   3   5.029   2.483   2.327
   27    HZ2  TRP   3           HZ2      TRP   3   3.735   5.512  -1.395
   28    HZ3  TRP   3           HZ3      TRP   3   3.117   4.035   2.590
   29    HH2  TRP   3           HH2      TRP   3   2.468   5.549   0.737
   30    H    LEU   4           HN       LEU   4   6.940   0.526   3.800
   31    HA   LEU   4           HA       LEU   4   9.065  -0.331   5.307
   32    HB2  LEU   4           HB2      LEU   4   6.425  -1.658   4.686
   33    HB3  LEU   4           HB1      LEU   4   7.565  -2.332   5.854
   34    HG   LEU   4           HG       LEU   4   7.539  -0.091   7.029
   35   HD11  LEU   4          HD11      LEU   4   5.511   0.406   4.879
   36   HD12  LEU   4          HD12      LEU   4   6.750   1.489   5.509
   37   HD13  LEU   4          HD13      LEU   4   5.298   1.166   6.455
   38   HD21  LEU   4          HD21      LEU   4   6.212  -1.478   8.235
   39   HD22  LEU   4          HD22      LEU   4   5.333  -2.031   6.813
   40   HD23  LEU   4          HD23      LEU   4   4.905  -0.500   7.573
   41    H    LYS   5           HN       LYS   5   7.933  -1.697   2.271
   42    HA   LYS   5           HA       LYS   5   9.733  -3.983   2.572
   43    HB2  LYS   5           HB2      LYS   5   7.690  -3.289   0.443
   44    HB3  LYS   5           HB1      LYS   5   8.690  -4.739   0.421
   45    HG2  LYS   5           HG2      LYS   5   6.315  -4.966   1.421
   46    HG3  LYS   5           HG1      LYS   5   7.643  -5.628   2.371
   47    HD2  LYS   5           HD2      LYS   5   7.674  -3.681   3.808
   48    HD3  LYS   5           HD1      LYS   5   6.506  -2.840   2.786
   49    HE2  LYS   5           HE2      LYS   5   6.059  -5.260   4.540
   50    HE3  LYS   5           HE1      LYS   5   5.301  -3.673   4.670
   51    HZ1  LYS   5           HZ1      LYS   5   4.475  -4.179   2.293
   52    HZ2  LYS   5           HZ2      LYS   5   3.689  -4.911   3.601
   53    HZ3  LYS   5           HZ3      LYS   5   4.810  -5.798   2.685
   54    H    LEU   6           HN       LEU   6   9.248  -1.274   0.295
   55    HA   LEU   6           HA       LEU   6  11.535  -1.941  -1.265
   56    HB2  LEU   6           HB2      LEU   6   9.673   0.353  -1.036
   57    HB3  LEU   6           HB1      LEU   6  11.263   0.723  -1.685
   58    HG   LEU   6           HG       LEU   6   9.500  -1.518  -2.703
   59   HD11  LEU   6          HD11      LEU   6   9.111  -0.001  -4.643
   60   HD12  LEU   6          HD12      LEU   6   9.910   1.295  -3.750
   61   HD13  LEU   6          HD13      LEU   6   8.407   0.597  -3.143
   62   HD21  LEU   6          HD21      LEU   6  11.062  -1.220  -4.710
   63   HD22  LEU   6          HD22      LEU   6  11.760  -1.975  -3.278
   64   HD23  LEU   6          HD23      LEU   6  12.092  -0.279  -3.632
   65    H    GLY   7           HN       GLY   7  10.959   0.111   1.524
   66    HA2  GLY   7           HA2      GLY   7  13.266   1.557   1.742
   67    HA3  GLY   7           HA1      GLY   7  12.411   0.888   3.130
   68    H    LYS   8           HN       LYS   8  12.803  -1.832   2.751
   69    HA   LYS   8           HA       LYS   8  15.341  -2.259   3.868
   70    HB2  LYS   8           HB2      LYS   8  13.192  -3.966   2.723
   71    HB3  LYS   8           HB1      LYS   8  14.795  -4.693   2.878
   72    HG2  LYS   8           HG2      LYS   8  13.304  -4.965   4.926
   73    HG3  LYS   8           HG1      LYS   8  14.878  -4.235   5.232
   74    HD2  LYS   8           HD2      LYS   8  13.792  -1.965   5.061
   75    HD3  LYS   8           HD1      LYS   8  12.236  -2.771   4.947
   76    HE2  LYS   8           HE2      LYS   8  13.922  -2.297   7.295
   77    HE3  LYS   8           HE1      LYS   8  12.198  -2.641   7.209
   78    HZ1  LYS   8           HZ1      LYS   8  12.729  -4.980   6.870
   79    HZ2  LYS   8           HZ2      LYS   8  13.375  -4.409   8.336
   80    HZ3  LYS   8           HZ3      LYS   8  14.385  -4.640   6.999
   81    H    LYS   9           HN       LYS   9  14.225  -2.420   0.532
   82    HA   LYS   9           HA       LYS   9  16.770  -3.374  -0.474
   83    HB2  LYS   9           HB2      LYS   9  14.393  -2.173  -1.937
   84    HB3  LYS   9           HB1      LYS   9  15.799  -2.909  -2.708
   85    HG2  LYS   9           HG2      LYS   9  14.494  -4.785  -2.649
   86    HG3  LYS   9           HG1      LYS   9  15.140  -4.907  -1.013
   87    HD2  LYS   9           HD2      LYS   9  13.109  -3.429  -0.337
   88    HD3  LYS   9           HD1      LYS   9  12.439  -3.887  -1.897
   89    HE2  LYS   9           HE2      LYS   9  13.302  -5.781   0.306
   90    HE3  LYS   9           HE1      LYS   9  11.646  -5.452  -0.203
   91    HZ1  LYS   9           HZ1      LYS   9  11.938  -7.182  -1.548
   92    HZ2  LYS   9           HZ2      LYS   9  13.628  -7.151  -1.403
   93    HZ3  LYS   9           HZ3      LYS   9  12.847  -6.129  -2.514
   94    H    ILE  10           HN       ILE  10  15.119  -0.298  -0.125
   95    HA   ILE  10           HA       ILE  10  17.133   1.161  -1.603
   96    HB   ILE  10           HB       ILE  10  14.662   1.865  -0.066
   97   HG12  ILE  10          HG12      ILE  10  14.009   2.854  -2.195
   98   HG13  ILE  10          HG11      ILE  10  15.640   2.661  -2.832
   99   HG21  ILE  10          HG21      ILE  10  16.455   3.508   0.611
  100   HG22  ILE  10          HG22      ILE  10  15.118   4.242  -0.272
  101   HG23  ILE  10          HG23      ILE  10  16.643   3.919  -1.094
  102   HD11  ILE  10          HD11      ILE  10  13.858   0.363  -1.978
  103   HD12  ILE  10          HD12      ILE  10  15.436   0.233  -2.748
  104   HD13  ILE  10          HD13      ILE  10  14.070   0.892  -3.645
  105    H    ILE  11           HN       ILE  11  16.398   0.590   1.838
  106    HA   ILE  11           HA       ILE  11  18.297   2.424   2.872
  107    HB   ILE  11           HB       ILE  11  17.150  -0.135   4.031
  108   HG12  ILE  11          HG12      ILE  11  15.701   1.976   3.528
  109   HG13  ILE  11          HG11      ILE  11  15.594   1.255   5.133
  110   HG21  ILE  11          HG21      ILE  11  17.959   0.997   6.224
  111   HG22  ILE  11          HG22      ILE  11  19.028   1.934   5.182
  112   HG23  ILE  11          HG23      ILE  11  19.168   0.178   5.236
  113   HD11  ILE  11          HD11      ILE  11  15.899   3.829   4.979
  114   HD12  ILE  11          HD12      ILE  11  17.573   3.465   4.564
  115   HD13  ILE  11          HD13      ILE  11  16.915   2.944   6.115
  116    H    ALA  12           HN       ALA  12  18.448  -0.729   1.498
  117    HA   ALA  12           HA       ALA  12  21.167  -1.268   2.340
  118    HB1  ALA  12           HB1      ALA  12  19.340  -3.001   1.835
  119    HB2  ALA  12           HB2      ALA  12  20.926  -3.295   1.124
  120    HB3  ALA  12           HB3      ALA  12  19.624  -2.638   0.133
  121    H    SER  13           HN       SER  13  19.418   0.083  -0.356
  122    HA   SER  13           HA       SER  13  21.856   0.322  -1.969
  123    HB2  SER  13           HB2      SER  13  19.079   1.253  -2.712
  124    HB3  SER  13           HB1      SER  13  20.430   0.896  -3.785
  125    HG   SER  13           HG       SER  13  18.895  -0.914  -2.195
  126    H    LEU  14           H1       LEU  14  19.817   3.189   0.081
  127    HA   LEU  14           HA       LEU  14  23.137   3.840   0.707
  128    HB2  LEU  14           HB2      LEU  14  22.556   4.175  -2.124
  129    HG   LEU  14           HG       LEU  14  24.799   4.043  -0.929
  130   HD11  LEU  14          HD11      LEU  14  24.865   4.736  -3.186
  131   HD12  LEU  14          HD12      LEU  14  25.734   6.010  -2.334
  132   HD13  LEU  14          HD13      LEU  14  24.062   6.267  -2.839
  133   HD21  LEU  14          HD21      LEU  14  24.284   5.563   0.928
  134   HD22  LEU  14          HD22      LEU  14  24.039   6.894  -0.204
  135   HD23  LEU  14          HD23      LEU  14  25.642   6.186  -0.005
  Start of MODEL   10
    1    H1   ILE   1           HT1      ILE   1   4.656   6.258   3.380
    2    H2   ILE   1           HT2      ILE   1   5.104   7.419   4.529
    3    H3   ILE   1           HT3      ILE   1   5.857   5.899   4.522
    4    HA   ILE   1           HA       ILE   1   6.016   7.837   2.291
    5    HB   ILE   1           HB       ILE   1   8.315   7.216   4.130
    6   HG12  ILE   1          HG12      ILE   1   6.113   9.253   4.627
    7   HG13  ILE   1          HG11      ILE   1   6.588   7.932   5.695
    8   HG21  ILE   1          HG21      ILE   1   9.085   9.397   3.366
    9   HG22  ILE   1          HG22      ILE   1   7.534   9.715   2.587
   10   HG23  ILE   1          HG23      ILE   1   8.594   8.453   1.957
   11   HD11  ILE   1          HD11      ILE   1   8.305  10.308   4.924
   12   HD12  ILE   1          HD12      ILE   1   8.834   8.964   5.938
   13   HD13  ILE   1          HD13      ILE   1   7.550  10.035   6.493
   14    H    ASN   2           HN       ASN   2   7.926   5.301   3.922
   15    HA   ASN   2           HA       ASN   2   8.346   4.025   1.286
   16    HB2  ASN   2           HB2      ASN   2  10.482   3.427   1.922
   17    HB3  ASN   2           HB1      ASN   2  10.315   4.934   2.812
   18   HD21  ASN   2          HD21      ASN   2   9.648   4.725   5.148
   19   HD22  ASN   2          HD22      ASN   2  10.068   3.318   5.997
   20    H    TRP   3           HN       TRP   3   7.994   1.808   1.094
   21    HA   TRP   3           HA       TRP   3   6.179   0.711   3.057
   22    HB2  TRP   3           HB2      TRP   3   7.132  -0.122   0.350
   23    HB3  TRP   3           HB1      TRP   3   6.378  -1.317   1.396
   24    HD1  TRP   3           HD1      TRP   3   5.406   0.702  -1.292
   25    HE1  TRP   3           HE1      TRP   3   2.951   1.479  -1.156
   26    HE3  TRP   3           HE3      TRP   3   4.463  -0.252   3.632
   27    HZ2  TRP   3           HZ2      TRP   3   0.863   1.670   0.805
   28    HZ3  TRP   3           HZ3      TRP   3   2.242   0.231   4.613
   29    HH2  TRP   3           HH2      TRP   3   0.442   1.192   3.204
   30    H    LEU   4           HN       LEU   4   6.509  -0.913   4.426
   31    HA   LEU   4           HA       LEU   4   8.720  -1.333   5.844
   32    HB2  LEU   4           HB2      LEU   4   6.820  -3.554   5.071
   33    HB3  LEU   4           HB1      LEU   4   7.878  -3.534   6.481
   34    HG   LEU   4           HG       LEU   4   6.594  -1.182   6.849
   35   HD11  LEU   4          HD11      LEU   4   5.219  -2.103   4.695
   36   HD12  LEU   4          HD12      LEU   4   4.493  -1.082   5.938
   37   HD13  LEU   4          HD13      LEU   4   4.277  -2.832   5.990
   38   HD21  LEU   4          HD21      LEU   4   6.826  -3.094   8.436
   39   HD22  LEU   4          HD22      LEU   4   5.492  -3.902   7.619
   40   HD23  LEU   4          HD23      LEU   4   5.210  -2.388   8.473
   41    H    LYS   5           HN       LYS   5   8.103  -2.997   2.756
   42    HA   LYS   5           HA       LYS   5  10.668  -4.404   3.062
   43    HB2  LYS   5           HB2      LYS   5   8.387  -4.773   1.109
   44    HB3  LYS   5           HB1      LYS   5   9.889  -5.692   1.060
   45    HG2  LYS   5           HG2      LYS   5   8.586  -7.111   2.355
   46    HG3  LYS   5           HG1      LYS   5   9.340  -6.133   3.609
   47    HD2  LYS   5           HD2      LYS   5   7.277  -4.584   3.371
   48    HD3  LYS   5           HD1      LYS   5   6.529  -5.939   2.530
   49    HE2  LYS   5           HE2      LYS   5   7.522  -5.827   5.378
   50    HE3  LYS   5           HE1      LYS   5   5.907  -6.233   4.803
   51    HZ1  LYS   5           HZ1      LYS   5   8.323  -7.878   4.901
   52    HZ2  LYS   5           HZ2      LYS   5   7.279  -8.114   3.582
   53    HZ3  LYS   5           HZ3      LYS   5   6.704  -8.307   5.168
   54    H    LEU   6           HN       LEU   6   8.964  -2.366   0.679
   55    HA   LEU   6           HA       LEU   6  10.949  -2.224  -1.252
   56    HB2  LEU   6           HB2      LEU   6   8.608  -0.666  -0.510
   57    HB3  LEU   6           HB1      LEU   6   9.881   0.338  -1.195
   58    HG   LEU   6           HG       LEU   6   9.944  -1.789  -2.912
   59   HD11  LEU   6          HD11      LEU   6   7.561  -2.279  -3.472
   60   HD12  LEU   6          HD12      LEU   6   7.070  -1.423  -2.013
   61   HD13  LEU   6          HD13      LEU   6   8.026  -2.902  -1.890
   62   HD21  LEU   6          HD21      LEU   6   9.749   0.684  -3.399
   63   HD22  LEU   6          HD22      LEU   6   8.006   0.517  -3.192
   64   HD23  LEU   6          HD23      LEU   6   8.828  -0.356  -4.485
   65    H    GLY   7           HN       GLY   7  10.533  -0.162   1.612
   66    HA2  GLY   7           HA2      GLY   7  12.609   1.632   1.125
   67    HA3  GLY   7           HA1      GLY   7  12.001   1.219   2.719
   68    H    LYS   8           HN       LYS   8  12.737  -1.595   2.571
   69    HA   LYS   8           HA       LYS   8  15.306  -1.471   3.683
   70    HB2  LYS   8           HB2      LYS   8  14.082  -3.894   2.367
   71    HB3  LYS   8           HB1      LYS   8  15.284  -3.865   3.654
   72    HG2  LYS   8           HG2      LYS   8  12.343  -3.266   3.797
   73    HG3  LYS   8           HG1      LYS   8  13.335  -4.265   4.858
   74    HD2  LYS   8           HD2      LYS   8  14.531  -2.041   5.492
   75    HD3  LYS   8           HD1      LYS   8  13.137  -1.243   4.767
   76    HE2  LYS   8           HE2      LYS   8  13.378  -2.365   7.388
   77    HE3  LYS   8           HE1      LYS   8  11.990  -1.538   6.687
   78    HZ1  LYS   8           HZ1      LYS   8  12.619  -4.416   6.365
   79    HZ2  LYS   8           HZ2      LYS   8  11.263  -3.613   5.721
   80    HZ3  LYS   8           HZ3      LYS   8  11.452  -3.785   7.406
   81    H    LYS   9           HN       LYS   9  14.275  -2.191   0.387
   82    HA   LYS   9           HA       LYS   9  16.786  -3.015  -0.615
   83    HB2  LYS   9           HB2      LYS   9  14.424  -1.701  -1.970
   84    HB3  LYS   9           HB1      LYS   9  15.838  -2.311  -2.839
   85    HG2  LYS   9           HG2      LYS   9  14.457  -4.188  -2.918
   86    HG3  LYS   9           HG1      LYS   9  15.346  -4.507  -1.437
   87    HD2  LYS   9           HD2      LYS   9  13.533  -3.678  -0.105
   88    HD3  LYS   9           HD1      LYS   9  12.695  -3.066  -1.526
   89    HE2  LYS   9           HE2      LYS   9  11.970  -5.363  -0.535
   90    HE3  LYS   9           HE1      LYS   9  12.122  -5.208  -2.274
   91    HZ1  LYS   9           HZ1      LYS   9  14.400  -6.100  -0.623
   92    HZ2  LYS   9           HZ2      LYS   9  14.116  -6.357  -2.284
   93    HZ3  LYS   9           HZ3      LYS   9  13.209  -7.196  -1.119
   94    H    ILE  10           HN       ILE  10  15.343   0.106  -0.035
   95    HA   ILE  10           HA       ILE  10  17.378   1.565  -1.473
   96    HB   ILE  10           HB       ILE  10  15.661   2.786   0.649
   97   HG12  ILE  10          HG12      ILE  10  13.905   1.632  -0.351
   98   HG13  ILE  10          HG11      ILE  10  13.961   3.065  -1.375
   99   HG21  ILE  10          HG21      ILE  10  15.595   4.604  -1.096
  100   HG22  ILE  10          HG22      ILE  10  16.716   3.636  -2.054
  101   HG23  ILE  10          HG23      ILE  10  17.198   4.235  -0.466
  102   HD11  ILE  10          HD11      ILE  10  14.036   1.525  -3.052
  103   HD12  ILE  10          HD12      ILE  10  14.648   0.255  -2.002
  104   HD13  ILE  10          HD13      ILE  10  15.751   1.463  -2.659
  105    H    ILE  11           HN       ILE  11  16.690   0.719   1.896
  106    HA   ILE  11           HA       ILE  11  18.836   2.269   2.957
  107    HB   ILE  11           HB       ILE  11  17.457  -0.144   4.174
  108   HG12  ILE  11          HG12      ILE  11  16.010   1.892   3.437
  109   HG13  ILE  11          HG11      ILE  11  15.833   1.315   5.092
  110   HG21  ILE  11          HG21      ILE  11  18.118   1.179   6.306
  111   HG22  ILE  11          HG22      ILE  11  19.249   2.028   5.255
  112   HG23  ILE  11          HG23      ILE  11  19.386   0.284   5.470
  113   HD11  ILE  11          HD11      ILE  11  17.290   3.076   5.912
  114   HD12  ILE  11          HD12      ILE  11  16.047   3.810   4.898
  115   HD13  ILE  11          HD13      ILE  11  17.672   3.574   4.264
  116    H    ALA  12           HN       ALA  12  18.450  -0.869   1.568
  117    HA   ALA  12           HA       ALA  12  21.004  -1.899   2.455
  118    HB1  ALA  12           HB1      ALA  12  20.451  -3.739   0.823
  119    HB2  ALA  12           HB2      ALA  12  18.971  -2.867   0.431
  120    HB3  ALA  12           HB3      ALA  12  19.222  -3.488   2.062
  121    H    SER  13           HN       SER  13  19.647  -0.249  -0.338
  122    HA   SER  13           HA       SER  13  22.150  -0.554  -1.850
  123    HB2  SER  13           HB2      SER  13  19.684   0.974  -2.684
  124    HB3  SER  13           HB1      SER  13  20.971   0.345  -3.709
  125    HG   SER  13           HG       SER  13  18.983  -1.068  -2.260
  126    H    LEU  14           H1       LEU  14  21.208   3.748  -0.713
  127    HA   LEU  14           HA       LEU  14  24.318   2.549   0.661
  128    HB2  LEU  14           HB2      LEU  14  23.618   3.089  -2.101
  129    HG   LEU  14           HG       LEU  14  25.877   2.599  -0.991
  130   HD11  LEU  14          HD11      LEU  14  25.890   3.256  -3.278
  131   HD12  LEU  14          HD12      LEU  14  27.059   4.308  -2.483
  132   HD13  LEU  14          HD13      LEU  14  25.452   4.916  -2.878
  133   HD21  LEU  14          HD21      LEU  14  25.494   5.508  -0.228
  134   HD22  LEU  14          HD22      LEU  14  27.063   4.707  -0.239
  135   HD23  LEU  14          HD23      LEU  14  25.798   4.149   0.854