*HEADER    METAL BINDING PROTEIN                   12-DEC-07   2JYD              
*TITLE     STRUCTURE OF THE FIFTH ZINC FINGER OF MYELIN TRANSCRIPTION            
*TITLE    2 FACTOR 1                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: F5 DOMAIN OF MYELIN TRANSCRIPTION FACTOR 1;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: MYT1, NEURAL ZINC FINGER FACTOR 2, NZF-2;                   
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR: PGEX                                       
*KEYWDS    ZINC-FINGER, MYT1, ALTERNATIVE SPLICING, DEVELOPMENTAL                
*KEYWDS   2 PROTEIN, DIFFERENTIATION, DNA-BINDING, METAL-BINDING,                
*KEYWDS   3 NEUROGENESIS, NUCLEUS, TRANSCRIPTION, TRANSCRIPTION                  
*KEYWDS   4 REGULATION, METAL BINDING PROTEIN                                    
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    R.GAMSJAEGER, M.K.SWANTON, F.J.KOBUS, E.LEHTOMAKI,                    
*AUTHOR   2 J.A.LOWRY, A.H.KWAN, J.M.MATTHEWS, J.P.MACKAY                        
*REVDAT   1   15-JAN-08 2JYD    0                                                


! dihedrals
!    10 J= 5.07
assign (resid    9 and name C ) (resid    10 and name N )
       (resid   10 and name CA) (resid    10 and name C )  1.00  -60.00   40.00   2

!    16 J= 9.28
assign (resid   15 and name C ) (resid    16 and name N )
       (resid   16 and name CA) (resid    16 and name C )  1.00  -120.00   40.00   2

!    22 J= 9.76
assign (resid   21 and name C ) (resid    22 and name N )
       (resid   22 and name CA) (resid    22 and name C )  1.00  -120.00   40.00   2

!    30 J= 8.85
assign (resid   29 and name C ) (resid    30 and name N )
       (resid   30 and name CA) (resid    30 and name C )  1.00  -120.00   40.00   2

!    31 J= 10.37
assign (resid   30 and name C ) (resid    31 and name N )
       (resid   31 and name CA) (resid    31 and name C )  1.00  -120.00   40.00   2

!    33 J= 8.40
assign (resid   32 and name C ) (resid    33 and name N )
       (resid   33 and name CA) (resid    33 and name C )  1.00  -120.00   40.00   2

!    34 J= 8.95
assign (resid   33 and name C ) (resid    34 and name N )
       (resid   34 and name CA) (resid    34 and name C )  1.00  -120.00   40.00   2

!    37 J= 3.43
assign (resid   36 and name C ) (resid    37 and name N )
       (resid   37 and name CA) (resid    37 and name C )  1.00  -60.00   40.00   2

!    39 J= 1.29
assign (resid   38 and name C ) (resid    39 and name N )
       (resid   39 and name CA) (resid    39 and name C )  1.00  -60.00   40.00   2

!    10 J= 5.07
assign (resid    9 and name C ) (resid    10 and name N )
       (resid   10 and name CA) (resid    10 and name C )  1.00  -60.00   40.00   2


! from stereospecific stuff
! CHI1 180 or CHI2 180
assign (resid   17 and name CG ) (resid   17 and name CB )
       (resid   17 and name CA) (resid   17 and name N )  1.00  -180.00   30.00   2

assign (resid   9 and name CG ) (resid   9 and name CB )
       (resid   9 and name CA) (resid   9 and name N )  1.00  -180.00   30.00   2

! CHI1 -60
assign (resid   22 and name CG ) (resid   22 and name CB )
       (resid   22 and name CA) (resid   22 and name N )  1.00  -60.00   30.00   2

assign (resid   26 and name CG ) (resid   26 and name CB )
       (resid   26 and name CA) (resid   26 and name N )  1.00  -60.00   30.00   2

assign (resid   27 and name CG ) (resid   27 and name CB )
       (resid   27 and name CA) (resid   27 and name N )  1.00  -60.00   30.00   2

assign (resid   38 and name CG ) (resid   38 and name CB )
       (resid   38 and name CA) (resid   38 and name N )  1.00  -60.00   30.00   2

! CHI1 60
assign (resid  12 and name CG)  (resid  12 and name CB )
       (resid  12 and name CA)  (resid  12 and name N  )  1.00  60.00   30.00   2

assign (resid  18 and name CG)  (resid  18 and name CB )
       (resid  18 and name CA)  (resid  18 and name N  )  1.00  60.00   30.00   2


! NOESY
! derived from the 2D file(s)

ASSI ( resid 24 and name HA )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 2 volume 7.048e+03 ppm1 4.460 ppm2 9.498
ASSI ( resid 28 and name HA )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 3 volume 7.193e+03 ppm1 4.383 ppm2 8.960
ASSI ( resid 28 and name hb# )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 4 volume 1.734e+04 ppm1 1.523 ppm2 8.961
ASSI ( resid 16 and name HA1 )
     ( resid 16 and name HN )
     6.0 0.1 0.1 peak 5 volume 1.158e+04 ppm1 4.089 ppm2 9.074
ASSI ( resid 16 and name HA2 )
     ( resid 16 and name HN )
     6.0 0.1 0.1 peak 6 volume 1.755e+04 ppm1 3.675 ppm2 9.072
ASSI ( resid 22 and name HA )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 7 volume 1.947e+03 ppm1 4.700 ppm2 8.673
ASSI ( resid 22 and name HB2 )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 8 volume 2.519e+03 ppm1 3.362 ppm2 8.671
ASSI ( resid 30 and name HA )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 9 volume 5.462e+03 ppm1 5.118 ppm2 9.031
ASSI ( resid 14 and name HB )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 12 volume 7.513e+03 ppm1 4.365 ppm2 9.644
ASSI ( resid 14 and name HA )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 13 volume 4.274e+03 ppm1 4.249 ppm2 9.644
ASSI ( resid 14 and name HB )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 14 volume 4.933e+03 ppm1 4.365 ppm2 4.248
ASSI ( resid 19 and name HA1 )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 16 volume 1.908e+04 ppm1 4.087 ppm2 9.875
ASSI ( resid 26 and name HA )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 23 volume 5.162e+03 ppm1 4.616 ppm2 7.995
ASSI ( resid 26 and name HB2 )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 24 volume 2.385e+03 ppm1 2.330 ppm2 7.993
ASSI ( resid 26 and name HB3 )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 25 volume 2.931e+03 ppm1 2.163 ppm2 7.994
ASSI ( resid 26 and name HB2 )
     ( resid 26 and name HB3 )
     6.0 0.1 0.1 peak 26 volume 3.542e+04 ppm1 2.330 ppm2 2.161
ASSI ( resid 26 and name HA )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 27 volume 8.135e+03 ppm1 4.618 ppm2 2.328
ASSI ( resid 26 and name HA )
     ( resid 26 and name HB3 )
     6.0 0.1 0.1 peak 28 volume 2.785e+03 ppm1 4.622 ppm2 2.163
ASSI ( resid 32 and name HA )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 29 volume 6.447e+03 ppm1 4.799 ppm2 7.536
ASSI ( resid 32 and name HB2 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 30 volume 1.236e+03 ppm1 4.146 ppm2 7.536
ASSI ( resid 32 and name HB3 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 31 volume 3.047e+03 ppm1 3.834 ppm2 7.536
ASSI ( resid 32 and name HA )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 32 volume 8.566e+03 ppm1 4.807 ppm2 4.154
ASSI ( resid 32 and name HA )
     ( resid 32 and name HB3 )
     6.0 0.1 0.1 peak 33 volume 1.157e+04 ppm1 4.807 ppm2 3.837
ASSI ( resid 32 and name HB2 )
     ( resid 32 and name HB3 )
     6.0 0.1 0.1 peak 34 volume 5.255e+04 ppm1 4.147 ppm2 3.837
ASSI ( resid 29 and name HA )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 57 volume 3.013e+03 ppm1 5.612 ppm2 7.800
ASSI ( resid 27 and name HA )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 58 volume 8.741e+03 ppm1 4.766 ppm2 6.778
ASSI ( resid 27 and name HB2 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 59 volume 3.417e+03 ppm1 3.361 ppm2 6.778
ASSI ( resid 27 and name HB3 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 60 volume 6.334e+03 ppm1 2.429 ppm2 6.778
ASSI ( resid 27 and name HA )
     ( resid 27 and name HB3 )
     6.0 0.1 0.1 peak 61 volume 2.911e+03 ppm1 4.768 ppm2 2.428
ASSI ( resid 39 and name hb# )
     ( resid 39 and name HN )
     6.0 0.1 0.1 peak 62 volume 2.406e+04 ppm1 1.357 ppm2 7.383
ASSI ( resid 39 and name HA )
     ( resid 39 and name HN )
     6.0 0.1 0.1 peak 63 volume 6.512e+03 ppm1 4.177 ppm2 7.381
ASSI ( resid 31 and name HD2 )
     ( resid 31 and name HE )
     6.0 0.1 0.1 peak 65 volume 2.412e+03 ppm1 3.196 ppm2 7.163
ASSI ( resid 31 and name HD3 )
     ( resid 31 and name HE )
     6.0 0.1 0.1 peak 66 volume 4.676e+03 ppm1 3.149 ppm2 7.164
ASSI ( resid 31 and name HB3 )
     ( resid 31 and name HE )
     6.0 0.1 0.1 peak 69 volume 3.780e+02 ppm1 1.609 ppm2 7.164
ASSI ( resid 31 and name hg# )
     ( resid 31 and name HE )
     6.0 0.1 0.1 peak 70 volume 1.006e+03 ppm1 1.543 ppm2 7.163
ASSI ( resid 27 and name hd# )
     ( resid 27 and name he# )
     6.0 0.1 0.1 peak 88 volume 5.457e+04 ppm1 6.271 ppm2 6.665
ASSI ( resid 31 and name HA )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 92 volume 1.982e+03 ppm1 4.525 ppm2 8.830
ASSI ( resid 31 and name HA )
     ( resid 31 and name hg# )
     6.0 0.1 0.1 peak 95 volume 1.758e+03 ppm1 4.528 ppm2 1.535
ASSI ( resid 17 and name HA )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 120 volume 3.806e+03 ppm1 4.393 ppm2 7.946
ASSI ( resid 17 and name HB2 )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 123 volume 2.304e+04 ppm1 3.218 ppm2 7.942
ASSI ( resid 17 and name HB3 )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 124 volume 1.631e+04 ppm1 2.476 ppm2 7.942
ASSI ( resid 17 and name HA )
     ( resid 17 and name HB3 )
     6.0 0.1 0.1 peak 125 volume 2.848e+04 ppm1 4.384 ppm2 2.476
ASSI ( resid 17 and name HB2 )
     ( resid 17 and name HB3 )
     6.0 0.1 0.1 peak 126 volume 5.222e+04 ppm1 3.222 ppm2 2.475
ASSI ( resid 36 and name HB3 )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 130 volume 1.964e+03 ppm1 2.960 ppm2 7.468
ASSI ( resid 36 and name HA )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 131 volume 7.940e+02 ppm1 2.728 ppm2 7.468
ASSI ( resid 41 and name HA )
     ( resid 41 and name HB2 )
     6.0 0.1 0.1 peak 151 volume 3.172e+03 ppm1 4.341 ppm2 1.856
ASSI ( resid 41 and name HA )
     ( resid 41 and name HB3 )
     6.0 0.1 0.1 peak 152 volume 3.397e+03 ppm1 4.340 ppm2 1.753
ASSI ( resid 41 and name HA )
     ( resid 41 and name hd# )
     6.0 0.1 0.1 peak 153 volume 4.627e+03 ppm1 4.342 ppm2 1.664
ASSI ( resid 21 and name HA1 )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 154 volume 1.557e+04 ppm1 4.389 ppm2 8.105
ASSI ( resid 28 and name HA )
     ( resid 28 and name hb# )
     6.0 0.1 0.1 peak 192 volume 7.691e+03 ppm1 4.381 ppm2 1.526
ASSI ( resid 10 and name HA )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 222 volume 5.998e+03 ppm1 4.370 ppm2 8.225
ASSI ( resid 10 and name hb# )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 223 volume 8.313e+03 ppm1 1.660 ppm2 8.225
ASSI ( resid 10 and name HG )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 224 volume 3.934e+03 ppm1 1.593 ppm2 8.225
ASSI ( resid 10 and name hd1# )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 225 volume 5.080e+02 ppm1 0.925 ppm2 8.225
ASSI ( resid 10 and name HA )
     ( resid 10 and name hb# )
     6.0 0.1 0.1 peak 226 volume 3.774e+03 ppm1 4.366 ppm2 1.657
ASSI ( resid 10 and name HA )
     ( resid 10 and name HG )
     6.0 0.1 0.1 peak 227 volume 3.686e+03 ppm1 4.367 ppm2 1.593
ASSI ( resid 10 and name HA )
     ( resid 10 and name hd1# )
     6.0 0.1 0.1 peak 228 volume 8.700e+02 ppm1 4.367 ppm2 0.921
ASSI ( resid 10 and name hb# )
     ( resid 10 and name hd1# )
     6.0 0.1 0.1 peak 230 volume 1.329e+04 ppm1 1.657 ppm2 0.921
ASSI ( resid 10 and name HG )
     ( resid 10 and name hd1# )
     6.0 0.1 0.1 peak 231 volume 5.881e+03 ppm1 1.594 ppm2 0.923
ASSI ( resid 25 and name HA2 )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 232 volume 1.013e+04 ppm1 4.087 ppm2 8.396
ASSI ( resid 16 and name HA1 )
     ( resid 16 and name HA2 )
     6.0 0.1 0.1 peak 236 volume 3.273e+04 ppm1 4.090 ppm2 3.678
ASSI ( resid 44 and name HA )
     ( resid 44 and name HN )
     6.0 0.1 0.1 peak 258 volume 7.429e+03 ppm1 4.462 ppm2 8.182
ASSI ( resid 19 and name HA2 )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 285 volume 8.047e+03 ppm1 2.703 ppm2 9.875
ASSI ( resid 14 and name HB )
     ( resid 14 and name hg2# )
     6.0 0.1 0.1 peak 286 volume 6.171e+03 ppm1 4.365 ppm2 1.052
ASSI ( resid 14 and name HA )
     ( resid 14 and name hg2# )
     6.0 0.1 0.1 peak 287 volume 8.412e+03 ppm1 4.250 ppm2 1.052
ASSI ( resid 14 and name hg2# )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 288 volume 2.527e+03 ppm1 1.054 ppm2 9.643
ASSI ( resid 33 and name HA )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 290 volume 1.300e+04 ppm1 4.272 ppm2 9.259
ASSI ( resid 33 and name hb# )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 291 volume 1.436e+04 ppm1 1.766 ppm2 9.262
ASSI ( resid 33 and name HA )
     ( resid 33 and name hb# )
     6.0 0.1 0.1 peak 292 volume 1.361e+03 ppm1 4.273 ppm2 1.766
ASSI ( resid 30 and name HB2 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 294 volume 2.844e+03 ppm1 3.360 ppm2 9.032
ASSI ( resid 30 and name HB3 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 295 volume 1.365e+03 ppm1 3.264 ppm2 9.032
ASSI ( resid 30 and name HA )
     ( resid 30 and name HB3 )
     6.0 0.1 0.1 peak 296 volume 1.705e+04 ppm1 5.120 ppm2 3.265
ASSI ( resid 30 and name HA )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 297 volume 1.771e+04 ppm1 5.120 ppm2 3.350
ASSI ( resid 29 and name HB2 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 298 volume 1.060e+03 ppm1 3.964 ppm2 7.800
ASSI ( resid 29 and name HB3 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 299 volume 1.941e+03 ppm1 3.900 ppm2 7.801
ASSI ( resid 29 and name HA )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 300 volume 1.131e+04 ppm1 5.612 ppm2 3.971
ASSI ( resid 29 and name HA )
     ( resid 29 and name HB3 )
     6.0 0.1 0.1 peak 301 volume 8.703e+03 ppm1 5.612 ppm2 3.896
ASSI ( resid 27 and name HA )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 319 volume 1.120e+04 ppm1 4.768 ppm2 3.364
ASSI ( resid 27 and name HB2 )
     ( resid 27 and name HB3 )
     6.0 0.1 0.1 peak 320 volume 6.293e+04 ppm1 3.364 ppm2 2.428
ASSI ( resid 39 and name HA )
     ( resid 39 and name hb# )
     6.0 0.1 0.1 peak 321 volume 7.620e+03 ppm1 4.177 ppm2 1.359
ASSI ( resid 17 and name HA )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 322 volume 1.960e+04 ppm1 4.387 ppm2 3.217
ASSI ( resid 10 and name hd2# )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 323 volume 1.014e+03 ppm1 0.863 ppm2 8.225
ASSI ( resid 10 and name hb# )
     ( resid 10 and name hd2# )
     6.0 0.1 0.1 peak 324 volume 3.809e+03 ppm1 1.658 ppm2 0.849
ASSI ( resid 10 and name HG )
     ( resid 10 and name hd2# )
     6.0 0.1 0.1 peak 325 volume 2.936e+03 ppm1 1.594 ppm2 0.850
ASSI ( resid 10 and name HA )
     ( resid 10 and name hd2# )
     6.0 0.1 0.1 peak 326 volume 1.001e+04 ppm1 4.367 ppm2 0.849
ASSI ( resid 44 and name hd2# )
     ( resid 44 and name HN )
     6.0 0.1 0.1 peak 327 volume 4.088e+03 ppm1 0.870 ppm2 8.184
ASSI ( resid 44 and name hd1# )
     ( resid 44 and name HN )
     6.0 0.1 0.1 peak 328 volume 5.580e+03 ppm1 0.932 ppm2 8.186
ASSI ( resid 44 and name hb# )
     ( resid 44 and name HN )
     6.0 0.1 0.1 peak 329 volume 9.508e+03 ppm1 1.642 ppm2 8.183
ASSI ( resid 22 and name HA )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 330 volume 5.076e+03 ppm1 4.693 ppm2 3.363
ASSI ( resid 30 and name HB2 )
     ( resid 30 and name HB3 )
     6.0 0.1 0.1 peak 331 volume 2.937e+04 ppm1 3.359 ppm2 3.264
ASSI ( resid 21 and name HA2 )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 332 volume 6.707e+03 ppm1 3.792 ppm2 8.105
ASSI ( resid 3 and name HA )
     ( resid 3 and name HG2 )
     6.0 0.1 0.1 peak 338 volume 2.000e+02 ppm1 4.524 ppm2 2.636
ASSI ( resid 3 and name HA )
     ( resid 3 and name HG3 )
     6.0 0.1 0.1 peak 339 volume 8.570e+02 ppm1 4.525 ppm2 2.564
ASSI ( resid 3 and name HA )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 340 volume 1.503e+03 ppm1 4.525 ppm2 2.084
ASSI ( resid 3 and name HA )
     ( resid 3 and name HB3 )
     6.0 0.1 0.1 peak 341 volume 4.590e+02 ppm1 4.523 ppm2 1.995
ASSI ( resid 3 and name HG2 )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 342 volume 1.703e+03 ppm1 2.635 ppm2 2.096
ASSI ( resid 3 and name HG3 )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 343 volume 7.780e+02 ppm1 2.564 ppm2 2.097
ASSI ( resid 18 and name HA )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 347 volume 7.907e+03 ppm1 4.681 ppm2 8.722
ASSI ( resid 18 and name HB2 )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 348 volume 1.254e+03 ppm1 3.156 ppm2 8.723
ASSI ( resid 18 and name HA )
     ( resid 18 and name HB3 )
     6.0 0.1 0.1 peak 351 volume 5.075e+03 ppm1 4.679 ppm2 2.719
ASSI ( resid 18 and name HB2 )
     ( resid 18 and name HB3 )
     6.0 0.1 0.1 peak 352 volume 4.924e+04 ppm1 3.165 ppm2 2.720
ASSI ( resid 12 and name HA )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 353 volume 8.417e+03 ppm1 4.120 ppm2 8.773
ASSI ( resid 12 and name HB2 )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 354 volume 5.605e+03 ppm1 2.707 ppm2 8.772
ASSI ( resid 11 and name HA )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 363 volume 3.335e+03 ppm1 4.462 ppm2 7.948
ASSI ( resid 11 and name hb# )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 365 volume 4.420e+02 ppm1 1.708 ppm2 7.948
ASSI ( resid 11 and name hd# )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 367 volume 1.506e+03 ppm1 1.625 ppm2 7.946
ASSI ( resid 11 and name HG2 )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 368 volume 2.354e+03 ppm1 1.294 ppm2 7.946
ASSI ( resid 11 and name HG3 )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 369 volume 1.352e+03 ppm1 1.225 ppm2 7.944
ASSI ( resid 11 and name HA )
     ( resid 11 and name hb# )
     6.0 0.1 0.1 peak 371 volume 1.420e+03 ppm1 4.464 ppm2 1.707
ASSI ( resid 11 and name HA )
     ( resid 11 and name HG2 )
     6.0 0.1 0.1 peak 374 volume 7.920e+02 ppm1 4.461 ppm2 1.294
ASSI ( resid 11 and name HA )
     ( resid 11 and name HG3 )
     6.0 0.1 0.1 peak 375 volume 3.260e+02 ppm1 4.460 ppm2 1.224
ASSI ( resid 11 and name he# )
     ( resid 11 and name hd# )
     6.0 0.1 0.1 peak 379 volume 1.189e+04 ppm1 2.958 ppm2 1.607
ASSI ( resid 11 and name he# )
     ( resid 11 and name HG2 )
     6.0 0.1 0.1 peak 380 volume 3.454e+03 ppm1 2.958 ppm2 1.293
ASSI ( resid 11 and name he# )
     ( resid 11 and name HG3 )
     6.0 0.1 0.1 peak 381 volume 2.790e+03 ppm1 2.959 ppm2 1.218
ASSI ( resid 11 and name hb# )
     ( resid 11 and name HG3 )
     6.0 0.1 0.1 peak 384 volume 4.854e+03 ppm1 1.708 ppm2 1.216
ASSI ( resid 11 and name hd# )
     ( resid 11 and name HG3 )
     6.0 0.1 0.1 peak 385 volume 1.698e+04 ppm1 1.620 ppm2 1.216
ASSI ( resid 11 and name hb# )
     ( resid 11 and name HG2 )
     6.0 0.1 0.1 peak 387 volume 4.911e+03 ppm1 1.707 ppm2 1.294
ASSI ( resid 11 and name hd# )
     ( resid 11 and name HG2 )
     6.0 0.1 0.1 peak 388 volume 1.695e+04 ppm1 1.620 ppm2 1.293
ASSI ( resid 41 and name HA )
     ( resid 41 and name HN )
     6.0 0.1 0.1 peak 394 volume 3.264e+03 ppm1 4.331 ppm2 8.537
ASSI ( resid 41 and name HB2 )
     ( resid 41 and name HN )
     6.0 0.1 0.1 peak 396 volume 1.089e+03 ppm1 1.851 ppm2 8.538
ASSI ( resid 41 and name HB3 )
     ( resid 41 and name HN )
     6.0 0.1 0.1 peak 397 volume 9.940e+02 ppm1 1.752 ppm2 8.538
ASSI ( resid 41 and name HG2 )
     ( resid 41 and name HN )
     6.0 0.1 0.1 peak 399 volume 3.270e+02 ppm1 1.459 ppm2 8.539
ASSI ( resid 41 and name HG3 )
     ( resid 41 and name HN )
     6.0 0.1 0.1 peak 400 volume 1.070e+03 ppm1 1.361 ppm2 8.538
ASSI ( resid 38 and name HA )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 401 volume 5.354e+03 ppm1 4.712 ppm2 8.726
ASSI ( resid 38 and name HB2 )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 402 volume 1.014e+04 ppm1 1.737 ppm2 8.727
ASSI ( resid 38 and name HB3 )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 403 volume 2.711e+03 ppm1 1.579 ppm2 8.727
ASSI ( resid 38 and name hg# )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 404 volume 2.486e+03 ppm1 1.393 ppm2 8.727
ASSI ( resid 38 and name HA )
     ( resid 38 and name HB2 )
     6.0 0.1 0.1 peak 405 volume 1.287e+04 ppm1 4.706 ppm2 1.747
ASSI ( resid 38 and name HA )
     ( resid 38 and name HB3 )
     6.0 0.1 0.1 peak 406 volume 1.616e+03 ppm1 4.706 ppm2 1.574
ASSI ( resid 38 and name HA )
     ( resid 38 and name hg# )
     6.0 0.1 0.1 peak 407 volume 1.006e+03 ppm1 4.708 ppm2 1.406
ASSI ( resid 38 and name HD2 )
     ( resid 38 and name HB2 )
     6.0 0.1 0.1 peak 408 volume 7.952e+03 ppm1 3.529 ppm2 1.737
ASSI ( resid 38 and name HD2 )
     ( resid 38 and name HB3 )
     6.0 0.1 0.1 peak 409 volume 5.083e+03 ppm1 3.523 ppm2 1.575
ASSI ( resid 38 and name HD2 )
     ( resid 38 and name hg# )
     6.0 0.1 0.1 peak 410 volume 6.698e+03 ppm1 3.527 ppm2 1.408
ASSI ( resid 38 and name HB2 )
     ( resid 38 and name hg# )
     6.0 0.1 0.1 peak 411 volume 2.292e+04 ppm1 1.743 ppm2 1.396
ASSI ( resid 38 and name HD2 )
     ( resid 38 and name HE )
     6.0 0.1 0.1 peak 412 volume 4.411e+03 ppm1 3.519 ppm2 7.493
ASSI ( resid 38 and name HB2 )
     ( resid 38 and name HE )
     6.0 0.1 0.1 peak 413 volume 1.322e+04 ppm1 1.737 ppm2 7.493
ASSI ( resid 38 and name HB3 )
     ( resid 38 and name HE )
     6.0 0.1 0.1 peak 414 volume 6.571e+03 ppm1 1.580 ppm2 7.492
ASSI ( resid 38 and name hg# )
     ( resid 38 and name HE )
     6.0 0.1 0.1 peak 415 volume 4.980e+03 ppm1 1.408 ppm2 7.492
ASSI ( resid 31 and name HA )
     ( resid 31 and name HE )
     6.0 0.1 0.1 peak 417 volume 7.220e+02 ppm1 4.525 ppm2 7.163
ASSI ( resid 6 and name HB2 )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 424 volume 3.810e+02 ppm1 3.176 ppm2 8.438
ASSI ( resid 6 and name HB3 )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 425 volume 7.260e+02 ppm1 3.143 ppm2 8.436
ASSI ( resid 43 and name ha# )
     ( resid 43 and name HN )
     6.0 0.1 0.1 peak 431 volume 3.690e+02 ppm1 3.957 ppm2 8.565
ASSI ( resid 45 and name HA )
     ( resid 45 and name HN )
     6.0 0.1 0.1 peak 432 volume 9.220e+02 ppm1 4.400 ppm2 8.496
ASSI ( resid 45 and name HB3 )
     ( resid 45 and name HG3 )
     6.0 0.1 0.1 peak 438 volume 7.412e+03 ppm1 1.766 ppm2 1.611
ASSI ( resid 45 and name HB2 )
     ( resid 45 and name HB3 )
     6.0 0.1 0.1 peak 441 volume 1.767e+04 ppm1 1.870 ppm2 1.766
ASSI ( resid 45 and name hd# )
     ( resid 45 and name HB2 )
     6.0 0.1 0.1 peak 442 volume 4.300e+02 ppm1 3.199 ppm2 1.870
ASSI ( resid 45 and name hd# )
     ( resid 45 and name HB3 )
     6.0 0.1 0.1 peak 446 volume 1.913e+03 ppm1 3.199 ppm2 1.766
ASSI ( resid 9 and name HA )
     ( resid 9 and name HN )
     6.0 0.1 0.1 peak 452 volume 5.023e+03 ppm1 4.554 ppm2 8.307
ASSI ( resid 9 and name HB2 )
     ( resid 9 and name HN )
     6.0 0.1 0.1 peak 453 volume 3.564e+03 ppm1 2.704 ppm2 8.309
ASSI ( resid 9 and name HB3 )
     ( resid 9 and name HN )
     6.0 0.1 0.1 peak 454 volume 7.420e+03 ppm1 2.559 ppm2 8.310
ASSI ( resid 9 and name HB2 )
     ( resid 9 and name HB3 )
     6.0 0.1 0.1 peak 455 volume 5.895e+04 ppm1 2.707 ppm2 2.557
ASSI ( resid 15 and name HA )
     ( resid 15 and name HD2 )
     6.0 0.1 0.1 peak 456 volume 3.959e+04 ppm1 4.238 ppm2 3.677
ASSI ( resid 15 and name HA )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 457 volume 5.635e+03 ppm1 4.244 ppm2 2.315
ASSI ( resid 15 and name HA )
     ( resid 15 and name HG2 )
     6.0 0.1 0.1 peak 458 volume 1.368e+04 ppm1 4.241 ppm2 2.179
ASSI ( resid 15 and name HA )
     ( resid 15 and name HG3 )
     6.0 0.1 0.1 peak 459 volume 8.650e+03 ppm1 4.242 ppm2 2.000
ASSI ( resid 15 and name HD2 )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 461 volume 1.774e+03 ppm1 3.676 ppm2 2.314
ASSI ( resid 15 and name HD2 )
     ( resid 15 and name HG3 )
     6.0 0.1 0.1 peak 463 volume 4.271e+03 ppm1 3.678 ppm2 2.000
ASSI ( resid 15 and name HB2 )
     ( resid 15 and name HG2 )
     6.0 0.1 0.1 peak 465 volume 1.703e+04 ppm1 2.317 ppm2 2.181
ASSI ( resid 15 and name HB2 )
     ( resid 15 and name HG3 )
     6.0 0.1 0.1 peak 466 volume 1.332e+04 ppm1 2.315 ppm2 2.001
ASSI ( resid 15 and name HB2 )
     ( resid 15 and name HB3 )
     6.0 0.1 0.1 peak 467 volume 5.518e+04 ppm1 2.318 ppm2 1.901
ASSI ( resid 15 and name HG2 )
     ( resid 15 and name HG3 )
     6.0 0.1 0.1 peak 468 volume 5.680e+04 ppm1 2.181 ppm2 2.001
ASSI ( resid 15 and name HG2 )
     ( resid 15 and name HB3 )
     6.0 0.1 0.1 peak 469 volume 1.963e+04 ppm1 2.181 ppm2 1.900
ASSI ( resid 20 and name hb# )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 472 volume 9.104e+03 ppm1 4.036 ppm2 8.436
ASSI ( resid 23 and name HA )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 474 volume 4.213e+03 ppm1 3.897 ppm2 8.005
ASSI ( resid 40 and name HA )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 478 volume 4.113e+03 ppm1 4.278 ppm2 8.427
ASSI ( resid 40 and name HB2 )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 480 volume 3.400e+03 ppm1 1.823 ppm2 8.427
ASSI ( resid 40 and name HB3 )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 482 volume 6.299e+03 ppm1 1.769 ppm2 8.427
ASSI ( resid 40 and name hd# )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 483 volume 1.901e+03 ppm1 1.692 ppm2 8.427
ASSI ( resid 40 and name hg# )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 484 volume 2.662e+03 ppm1 1.451 ppm2 8.427
ASSI ( resid 40 and name he# )
     ( resid 40 and name hg# )
     6.0 0.1 0.1 peak 488 volume 1.300e+02 ppm1 2.963 ppm2 1.451
ASSI ( resid 40 and name HA )
     ( resid 40 and name HB2 )
     6.0 0.1 0.1 peak 489 volume 1.099e+03 ppm1 4.272 ppm2 1.823
ASSI ( resid 40 and name HA )
     ( resid 40 and name HB3 )
     6.0 0.1 0.1 peak 490 volume 2.744e+03 ppm1 4.271 ppm2 1.770
ASSI ( resid 40 and name HA )
     ( resid 40 and name hd# )
     6.0 0.1 0.1 peak 491 volume 7.380e+02 ppm1 4.272 ppm2 1.691
ASSI ( resid 40 and name HA )
     ( resid 40 and name hg# )
     6.0 0.1 0.1 peak 492 volume 8.920e+02 ppm1 4.273 ppm2 1.451
ASSI ( resid 40 and name HA )
     ( resid 40 and name he# )
     6.0 0.1 0.1 peak 493 volume 6.445e+03 ppm1 4.280 ppm2 2.962
ASSI ( resid 16 and name HA1 )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 494 volume 1.584e+03 ppm1 4.086 ppm2 7.944
ASSI ( resid 16 and name HA2 )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 495 volume 2.869e+03 ppm1 3.677 ppm2 7.944
ASSI ( resid 17 and name HN )
     ( resid 16 and name HN )
     6.0 0.1 0.1 peak 496 volume 6.969e+03 ppm1 7.946 ppm2 9.074
ASSI ( attr store1 < 4.41 and attr store1 > 4.37 )
     ( attr store1 < 8.685 and attr store1 > 8.655 )
     6.0 0.1 0.1 peak 497 volume 1.604e+04 ppm1 4.390 ppm2 8.670
ASSI ( resid 21 and name HA2 )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 498 volume 1.954e+04 ppm1 3.793 ppm2 8.669
ASSI ( resid 21 and name HN )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 499 volume 4.900e+02 ppm1 8.106 ppm2 8.669
ASSI ( resid 9 and name HA )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 500 volume 1.526e+04 ppm1 4.555 ppm2 8.224
ASSI ( resid 9 and name HB2 )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 501 volume 2.091e+03 ppm1 2.703 ppm2 8.224
ASSI ( resid 9 and name HB3 )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 502 volume 1.300e+03 ppm1 2.564 ppm2 8.225
ASSI ( resid 25 and name HN )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 504 volume 1.169e+04 ppm1 8.403 ppm2 9.499
ASSI ( resid 24 and name hg2# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 505 volume 6.312e+03 ppm1 1.623 ppm2 8.397
ASSI ( attr store1 < 2.73 and attr store1 > 2.69 )
     ( attr store1 < 8.452 and attr store1 > 8.422 )
     6.0 0.1 0.1 peak 506 volume 1.672e+03 ppm1 2.710 ppm2 8.437
ASSI ( resid 20 and name HN )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 507 volume 2.946e+03 ppm1 8.434 ppm2 9.875
ASSI ( attr store1 < 8.137 and attr store1 > 8.097 )
     ( attr store1 < 8.448 and attr store1 > 8.418 )
     6.0 0.1 0.1 peak 509 volume 9.190e+02 ppm1 8.117 ppm2 8.433
ASSI ( resid 24 and name HA )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 510 volume 2.138e+03 ppm1 4.460 ppm2 8.399
ASSI ( resid 24 and name hg2# )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 511 volume 3.895e+03 ppm1 1.617 ppm2 9.499
ASSI ( resid 26 and name HN )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 512 volume 4.928e+03 ppm1 7.998 ppm2 8.401
ASSI ( resid 25 and name HA2 )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 513 volume 3.459e+03 ppm1 4.086 ppm2 7.994
ASSI ( resid 26 and name HA )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 514 volume 4.432e+03 ppm1 4.614 ppm2 6.778
ASSI ( resid 26 and name HB2 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 515 volume 1.207e+03 ppm1 2.325 ppm2 6.777
ASSI ( resid 26 and name HB3 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 516 volume 2.910e+02 ppm1 2.163 ppm2 6.777
ASSI ( resid 27 and name HN )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 517 volume 1.410e+04 ppm1 6.780 ppm2 7.993
ASSI ( resid 27 and name HN )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 518 volume 1.310e+02 ppm1 6.786 ppm2 8.965
ASSI ( resid 27 and name HA )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 519 volume 1.372e+04 ppm1 4.776 ppm2 8.964
ASSI ( resid 27 and name HB2 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 520 volume 5.907e+03 ppm1 3.365 ppm2 8.964
ASSI ( resid 27 and name HB3 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 521 volume 2.645e+03 ppm1 2.430 ppm2 8.960
ASSI ( resid 28 and name HA )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 522 volume 6.440e+02 ppm1 4.379 ppm2 7.799
ASSI ( resid 28 and name hb# )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 523 volume 9.367e+03 ppm1 1.523 ppm2 7.800
ASSI ( resid 29 and name HN )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 524 volume 7.103e+03 ppm1 7.796 ppm2 8.963
ASSI ( resid 29 and name HN )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 525 volume 5.870e+02 ppm1 7.807 ppm2 9.030
ASSI ( resid 29 and name HB2 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 526 volume 3.580e+03 ppm1 3.969 ppm2 9.031
ASSI ( resid 29 and name HB3 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 527 volume 6.121e+03 ppm1 3.892 ppm2 9.031
ASSI ( resid 29 and name HA )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 528 volume 7.121e+03 ppm1 5.616 ppm2 9.033
ASSI ( resid 32 and name HA )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 529 volume 9.073e+03 ppm1 4.800 ppm2 9.260
ASSI ( resid 32 and name HB2 )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 530 volume 3.795e+03 ppm1 4.145 ppm2 9.260
ASSI ( resid 32 and name HB3 )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 531 volume 1.895e+03 ppm1 3.835 ppm2 9.260
ASSI ( resid 23 and name HN )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 533 volume 4.290e+02 ppm1 7.999 ppm2 8.673
ASSI ( resid 22 and name HA )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 534 volume 2.063e+04 ppm1 4.694 ppm2 8.003
ASSI ( resid 10 and name hd1# )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 536 volume 6.380e+02 ppm1 0.925 ppm2 7.953
ASSI ( resid 10 and name hd2# )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 537 volume 1.085e+03 ppm1 0.863 ppm2 7.953
ASSI ( resid 11 and name HN )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 538 volume 4.992e+03 ppm1 7.945 ppm2 8.226
ASSI ( resid 46 and name HB )
     ( resid 46 and name hg1# )
     6.0 0.1 0.1 peak 539 volume 1.567e+03 ppm1 2.085 ppm2 0.904
ASSI ( resid 11 and name HA )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 544 volume 1.164e+04 ppm1 4.462 ppm2 8.773
ASSI ( resid 11 and name hb# )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 545 volume 7.390e+02 ppm1 1.705 ppm2 8.774
ASSI ( resid 11 and name hd# )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 547 volume 8.529e+03 ppm1 1.626 ppm2 8.774
ASSI ( resid 11 and name HG2 )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 548 volume 3.710e+02 ppm1 1.305 ppm2 8.773
ASSI ( resid 11 and name HG3 )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 549 volume 5.430e+02 ppm1 1.225 ppm2 8.774
ASSI ( resid 11 and name HN )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 550 volume 1.844e+03 ppm1 7.937 ppm2 8.777
ASSI ( resid 8 and name HA )
     ( resid 8 and name HN )
     6.0 0.1 0.1 peak 551 volume 3.109e+03 ppm1 4.321 ppm2 8.651
ASSI ( resid 8 and name hb# )
     ( resid 8 and name HN )
     6.0 0.1 0.1 peak 552 volume 6.860e+02 ppm1 1.399 ppm2 8.651
ASSI ( resid 8 and name HA )
     ( resid 8 and name hb# )
     6.0 0.1 0.1 peak 553 volume 5.062e+03 ppm1 4.322 ppm2 1.399
ASSI ( resid 8 and name HA )
     ( resid 9 and name HN )
     6.0 0.1 0.1 peak 554 volume 2.606e+03 ppm1 4.321 ppm2 8.309
ASSI ( resid 8 and name hb# )
     ( resid 9 and name HN )
     6.0 0.1 0.1 peak 555 volume 3.815e+03 ppm1 1.399 ppm2 8.309
ASSI ( resid 9 and name HN )
     ( resid 8 and name HN )
     6.0 0.1 0.1 peak 556 volume 2.590e+02 ppm1 8.308 ppm2 8.652
ASSI ( resid 22 and name HB2 )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 557 volume 3.332e+03 ppm1 3.362 ppm2 8.004
ASSI ( resid 23 and name HN )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 558 volume 3.160e+03 ppm1 8.001 ppm2 9.498
ASSI ( resid 23 and name HA )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 559 volume 1.737e+03 ppm1 3.896 ppm2 9.499
ASSI ( resid 32 and name HN )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 560 volume 3.780e+02 ppm1 7.527 ppm2 9.262
ASSI ( resid 37 and name HA )
     ( resid 37 and name HD2 )
     6.0 0.1 0.1 peak 569 volume 2.220e+02 ppm1 4.459 ppm2 3.605
ASSI ( resid 37 and name HA )
     ( resid 37 and name hb# )
     6.0 0.1 0.1 peak 570 volume 4.406e+03 ppm1 4.463 ppm2 2.193
ASSI ( resid 37 and name HA )
     ( resid 37 and name hg# )
     6.0 0.1 0.1 peak 571 volume 1.119e+03 ppm1 4.464 ppm2 1.957
ASSI ( resid 37 and name HD2 )
     ( resid 37 and name hg# )
     6.0 0.1 0.1 peak 572 volume 3.014e+03 ppm1 3.610 ppm2 1.957
ASSI ( resid 37 and name HD2 )
     ( resid 37 and name hb# )
     6.0 0.1 0.1 peak 574 volume 7.860e+02 ppm1 3.611 ppm2 2.193
ASSI ( resid 37 and name HA )
     ( resid 37 and name HD3 )
     6.0 0.1 0.1 peak 576 volume 9.700e+01 ppm1 4.461 ppm2 3.038
ASSI ( resid 13 and name HA )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 579 volume 7.268e+03 ppm1 4.677 ppm2 2.252
ASSI ( resid 13 and name HA )
     ( resid 13 and name HD3 )
     6.0 0.1 0.1 peak 581 volume 2.335e+04 ppm1 4.671 ppm2 3.981
ASSI ( resid 13 and name HD2 )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 585 volume 1.325e+03 ppm1 4.275 ppm2 2.250
ASSI ( resid 13 and name HD2 )
     ( resid 13 and name hg# )
     6.0 0.1 0.1 peak 587 volume 5.556e+03 ppm1 4.275 ppm2 1.934
ASSI ( resid 15 and name HD2 )
     ( resid 15 and name HB3 )
     6.0 0.1 0.1 peak 591 volume 2.002e+03 ppm1 3.674 ppm2 1.899
ASSI ( resid 15 and name HA )
     ( resid 15 and name HB3 )
     6.0 0.1 0.1 peak 592 volume 4.653e+03 ppm1 4.241 ppm2 1.899
ASSI ( resid 26 and name HD21 )
     ( resid 26 and name HD22 )
     6.0 0.1 0.1 peak 594 volume 8.057e+04 ppm1 6.902 ppm2 7.332
ASSI ( resid 26 and name HD21 )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 599 volume 7.680e+02 ppm1 6.902 ppm2 7.994
ASSI ( resid 26 and name HD22 )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 600 volume 1.526e+03 ppm1 7.335 ppm2 7.993
ASSI ( resid 26 and name HA )
     ( resid 26 and name HD22 )
     6.0 0.1 0.1 peak 602 volume 6.960e+02 ppm1 4.616 ppm2 7.325
ASSI ( resid 26 and name HA )
     ( resid 26 and name HD21 )
     6.0 0.1 0.1 peak 603 volume 6.370e+02 ppm1 4.619 ppm2 6.891
ASSI ( resid 26 and name HB2 )
     ( resid 26 and name HD22 )
     6.0 0.1 0.1 peak 604 volume 6.803e+03 ppm1 2.332 ppm2 7.326
ASSI ( resid 26 and name HB2 )
     ( resid 26 and name HD21 )
     6.0 0.1 0.1 peak 605 volume 2.780e+03 ppm1 2.330 ppm2 6.890
ASSI ( resid 26 and name HB3 )
     ( resid 26 and name HD22 )
     6.0 0.1 0.1 peak 606 volume 1.201e+04 ppm1 2.161 ppm2 7.325
ASSI ( resid 26 and name HB3 )
     ( resid 26 and name HD21 )
     6.0 0.1 0.1 peak 607 volume 5.539e+03 ppm1 2.163 ppm2 6.890
ASSI ( resid 26 and name HB3 )
     ( resid 27 and name he# )
     6.0 0.1 0.1 peak 613 volume 5.730e+03 ppm1 2.163 ppm2 6.666
ASSI ( resid 26 and name HB3 )
     ( resid 27 and name hd# )
     6.0 0.1 0.1 peak 614 volume 4.111e+03 ppm1 2.161 ppm2 6.264
ASSI ( resid 26 and name HB2 )
     ( resid 27 and name he# )
     6.0 0.1 0.1 peak 615 volume 3.433e+03 ppm1 2.325 ppm2 6.665
ASSI ( resid 26 and name HB2 )
     ( resid 27 and name hd# )
     6.0 0.1 0.1 peak 616 volume 6.020e+02 ppm1 2.325 ppm2 6.262
ASSI ( resid 27 and name HB3 )
     ( resid 27 and name he# )
     6.0 0.1 0.1 peak 617 volume 2.244e+03 ppm1 2.431 ppm2 6.666
ASSI ( resid 27 and name HB3 )
     ( resid 27 and name hd# )
     6.0 0.1 0.1 peak 618 volume 1.896e+04 ppm1 2.443 ppm2 6.262
ASSI ( resid 27 and name HB2 )
     ( resid 27 and name he# )
     6.0 0.1 0.1 peak 619 volume 2.419e+03 ppm1 3.363 ppm2 6.666
ASSI ( resid 27 and name HB2 )
     ( resid 27 and name hd# )
     6.0 0.1 0.1 peak 620 volume 7.100e+03 ppm1 3.363 ppm2 6.262
ASSI ( resid 27 and name HA )
     ( resid 27 and name he# )
     6.0 0.1 0.1 peak 621 volume 1.597e+03 ppm1 4.766 ppm2 6.665
ASSI ( resid 27 and name HA )
     ( resid 27 and name hd# )
     6.0 0.1 0.1 peak 622 volume 1.076e+04 ppm1 4.766 ppm2 6.262
ASSI ( resid 27 and name hd# )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 623 volume 4.850e+03 ppm1 6.266 ppm2 6.778
ASSI ( resid 38 and name HD2 )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 630 volume 1.895e+03 ppm1 3.521 ppm2 8.723
ASSI ( resid 20 and name HA )
     ( resid 20 and name hb# )
     6.0 0.1 0.1 peak 632 volume 1.190e+04 ppm1 4.468 ppm2 4.025
ASSI ( resid 10 and name hb# )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 634 volume 1.448e+03 ppm1 1.660 ppm2 7.946
ASSI ( resid 10 and name HG )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 635 volume 1.525e+03 ppm1 1.594 ppm2 7.946
ASSI ( resid 17 and name HB3 )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 636 volume 2.504e+03 ppm1 2.479 ppm2 8.723
ASSI ( resid 17 and name HB2 )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 637 volume 1.674e+03 ppm1 3.213 ppm2 8.724
ASSI ( resid 17 and name HA )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 638 volume 8.453e+03 ppm1 4.396 ppm2 8.721
ASSI ( resid 18 and name HB3 )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 639 volume 1.316e+04 ppm1 2.708 ppm2 8.723
ASSI ( resid 18 and name HA )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 640 volume 2.897e+03 ppm1 4.681 ppm2 9.875
ASSI ( resid 18 and name HB2 )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 641 volume 1.405e+03 ppm1 3.166 ppm2 9.874
ASSI ( resid 18 and name HB3 )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 642 volume 6.224e+03 ppm1 2.735 ppm2 9.875
ASSI ( resid 18 and name HN )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 643 volume 1.495e+04 ppm1 8.731 ppm2 9.875
ASSI ( attr store1 < 4.112 and attr store1 > 4.072 )
     ( attr store1 < 8.453 and attr store1 > 8.423 )
     6.0 0.1 0.1 peak 645 volume 3.618e+03 ppm1 4.092 ppm2 8.438
ASSI ( resid 39 and name HA )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 647 volume 1.194e+04 ppm1 4.169 ppm2 8.428
ASSI ( resid 39 and name hb# )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 648 volume 5.274e+03 ppm1 1.362 ppm2 8.427
ASSI ( resid 15 and name HD2 )
     ( resid 15 and name HG2 )
     6.0 0.1 0.1 peak 651 volume 4.303e+03 ppm1 3.676 ppm2 2.180
ASSI ( resid 13 and name HA )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 652 volume 1.128e+03 ppm1 4.672 ppm2 9.645
ASSI ( resid 39 and name HN )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 653 volume 1.348e+04 ppm1 7.384 ppm2 8.723
ASSI ( resid 38 and name HA )
     ( resid 39 and name HN )
     6.0 0.1 0.1 peak 654 volume 6.170e+02 ppm1 4.710 ppm2 7.382
ASSI ( resid 39 and name HN )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 655 volume 2.427e+03 ppm1 7.387 ppm2 8.427
ASSI ( resid 20 and name HA )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 656 volume 2.654e+04 ppm1 4.471 ppm2 8.106
ASSI ( resid 20 and name hb# )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 657 volume 1.341e+04 ppm1 4.025 ppm2 8.104
ASSI ( resid 25 and name HA1 )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 659 volume 9.114e+03 ppm1 4.229 ppm2 8.397
ASSI ( resid 25 and name HA1 )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 660 volume 2.552e+03 ppm1 4.229 ppm2 7.996
ASSI ( resid 6 and name HD2 )
     ( resid 6 and name HE1 )
     6.0 0.1 0.1 peak 661 volume 2.840e+02 ppm1 7.133 ppm2 8.170
ASSI ( resid 38 and name HD3 )
     ( resid 38 and name HE )
     6.0 0.1 0.1 peak 663 volume 3.490e+04 ppm1 3.122 ppm2 7.492
ASSI ( resid 38 and name HD2 )
     ( resid 38 and name HD3 )
     6.0 0.1 0.1 peak 664 volume 4.282e+04 ppm1 3.527 ppm2 3.124
ASSI ( resid 38 and name HD3 )
     ( resid 38 and name hg# )
     6.0 0.1 0.1 peak 665 volume 2.755e+03 ppm1 3.131 ppm2 1.408
ASSI ( resid 38 and name HD3 )
     ( resid 38 and name HB2 )
     6.0 0.1 0.1 peak 666 volume 0.000e+00 ppm1 3.124 ppm2 1.738
ASSI ( attr store1 < 4.297 and attr store1 > 4.257 )
     ( attr store1 < 9.088 and attr store1 > 9.058 )
     6.0 0.1 0.1 peak 667 volume 7.781e+03 ppm1 4.277 ppm2 9.073
ASSI ( resid 15 and name HB2 )
     ( resid 16 and name HN )
     6.0 0.1 0.1 peak 669 volume 1.913e+03 ppm1 2.316 ppm2 9.072
ASSI ( resid 15 and name HG3 )
     ( resid 16 and name HN )
     6.0 0.1 0.1 peak 670 volume 8.040e+02 ppm1 2.004 ppm2 9.074
ASSI ( resid 15 and name HB3 )
     ( resid 16 and name HN )
     6.0 0.1 0.1 peak 671 volume 2.487e+03 ppm1 1.899 ppm2 9.074
ASSI ( resid 15 and name HG3 )
     ( resid 15 and name HB3 )
     6.0 0.1 0.1 peak 672 volume 6.887e+03 ppm1 2.001 ppm2 1.900
ASSI ( resid 13 and name HA )
     ( resid 13 and name hg# )
     6.0 0.1 0.1 peak 675 volume 1.930e+03 ppm1 4.677 ppm2 1.935
ASSI ( resid 13 and name HB2 )
     ( resid 13 and name hg# )
     6.0 0.1 0.1 peak 676 volume 3.105e+04 ppm1 2.250 ppm2 1.932
ASSI ( resid 24 and name HB )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 679 volume 1.377e+04 ppm1 5.894 ppm2 9.498
ASSI ( resid 38 and name HD3 )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 680 volume 1.175e+03 ppm1 3.120 ppm2 8.727
ASSI ( resid 25 and name HA1 )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 682 volume 1.410e+04 ppm1 4.229 ppm2 4.090
ASSI ( resid 30 and name HB2 )
     ( resid 30 and name HE1 )
     6.0 0.1 0.1 peak 684 volume 5.320e+02 ppm1 3.358 ppm2 7.493
ASSI ( resid 30 and name HB3 )
     ( resid 30 and name HE1 )
     6.0 0.1 0.1 peak 685 volume 9.870e+02 ppm1 3.255 ppm2 7.493
ASSI ( resid 30 and name HA )
     ( resid 22 and name HD2 )
     6.0 0.1 0.1 peak 686 volume 8.437e+03 ppm1 5.121 ppm2 7.644
ASSI ( attr store1 < 3.382 and attr store1 > 3.342 )
     ( attr store1 < 7.659 and attr store1 > 7.629 )
     6.0 0.1 0.1 peak 687 volume 8.700e+03 ppm1 3.362 ppm2 7.644
ASSI ( attr store1 < 3.287 and attr store1 > 3.247 )
     ( attr store1 < 7.659 and attr store1 > 7.629 )
     6.0 0.1 0.1 peak 689 volume 4.062e+03 ppm1 3.267 ppm2 7.644
ASSI ( resid 30 and name HB2 )
     ( resid 22 and name HE1 )
     6.0 0.1 0.1 peak 690 volume 7.930e+02 ppm1 3.360 ppm2 8.187
ASSI ( attr store1 < 3.915 and attr store1 > 3.875 )
     ( attr store1 < 8.204 and attr store1 > 8.174 )
     6.0 0.1 0.1 peak 691 volume 1.314e+03 ppm1 3.895 ppm2 8.189
ASSI ( attr store1 < 3.986 and attr store1 > 3.946 )
     ( attr store1 < 8.204 and attr store1 > 8.174 )
     6.0 0.1 0.1 peak 692 volume 2.657e+03 ppm1 3.966 ppm2 8.189
ASSI ( resid 22 and name HD2 )
     ( resid 22 and name HE1 )
     6.0 0.1 0.1 peak 693 volume 5.900e+02 ppm1 7.647 ppm2 8.180
ASSI ( resid 6 and name HA )
     ( resid 6 and name HD2 )
     6.0 0.1 0.1 peak 694 volume 1.460e+02 ppm1 4.678 ppm2 7.145
ASSI ( resid 6 and name HB2 )
     ( resid 6 and name HD2 )
     6.0 0.1 0.1 peak 695 volume 7.180e+02 ppm1 3.172 ppm2 7.146
ASSI ( resid 6 and name HB3 )
     ( resid 6 and name HD2 )
     6.0 0.1 0.1 peak 696 volume 1.490e+03 ppm1 3.143 ppm2 7.147
ASSI ( resid 38 and name HD3 )
     ( resid 38 and name HB3 )
     6.0 0.1 0.1 peak 697 volume 8.067e+03 ppm1 3.130 ppm2 1.581
ASSI ( resid 38 and name HB3 )
     ( resid 38 and name hg# )
     6.0 0.1 0.1 peak 698 volume 1.401e+04 ppm1 1.577 ppm2 1.409
ASSI ( resid 38 and name HB2 )
     ( resid 38 and name HB3 )
     6.0 0.1 0.1 peak 699 volume 1.483e+04 ppm1 1.738 ppm2 1.576
ASSI ( resid 38 and name HA )
     ( resid 38 and name HD3 )
     6.0 0.1 0.1 peak 700 volume 9.136e+03 ppm1 4.707 ppm2 3.140
ASSI ( resid 37 and name HA )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 701 volume 2.098e+03 ppm1 4.463 ppm2 8.726
ASSI ( resid 37 and name HD2 )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 702 volume 6.219e+03 ppm1 3.611 ppm2 8.727
ASSI ( attr store1 < 3.632 and attr store1 > 3.592 )
     ( attr store1 < 7.508 and attr store1 > 7.478 )
     6.0 0.1 0.1 peak 704 volume 1.392e+04 ppm1 3.612 ppm2 7.493
ASSI ( attr store1 < 4.479 and attr store1 > 4.439 )
     ( attr store1 < 7.508 and attr store1 > 7.478 )
     6.0 0.1 0.1 peak 706 volume 1.262e+03 ppm1 4.459 ppm2 7.493
ASSI ( resid 38 and name HA )
     ( resid 38 and name HE )
     6.0 0.1 0.1 peak 707 volume 1.165e+03 ppm1 4.706 ppm2 7.492
ASSI ( resid 37 and name hb# )
     ( resid 38 and name HE )
     6.0 0.1 0.1 peak 708 volume 8.430e+02 ppm1 2.211 ppm2 7.493
ASSI ( resid 37 and name hg# )
     ( resid 38 and name HE )
     6.0 0.1 0.1 peak 709 volume 2.294e+03 ppm1 1.965 ppm2 7.493
ASSI ( resid 37 and name hb# )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 710 volume 3.910e+02 ppm1 2.207 ppm2 8.727
ASSI ( resid 37 and name hg# )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 711 volume 1.045e+03 ppm1 1.967 ppm2 8.726
ASSI ( resid 44 and name HA )
     ( resid 44 and name hb# )
     6.0 0.1 0.1 peak 712 volume 5.444e+03 ppm1 4.459 ppm2 1.642
ASSI ( resid 44 and name HA )
     ( resid 44 and name hd1# )
     6.0 0.1 0.1 peak 713 volume 2.170e+03 ppm1 4.457 ppm2 0.933
ASSI ( resid 44 and name HA )
     ( resid 44 and name hd2# )
     6.0 0.1 0.1 peak 714 volume 7.597e+03 ppm1 4.457 ppm2 0.870
ASSI ( resid 44 and name hb# )
     ( resid 44 and name hd1# )
     6.0 0.1 0.1 peak 715 volume 2.775e+03 ppm1 1.645 ppm2 0.932
ASSI ( resid 44 and name hb# )
     ( resid 44 and name hd2# )
     6.0 0.1 0.1 peak 716 volume 6.008e+03 ppm1 1.643 ppm2 0.863
ASSI ( resid 31 and name HA )
     ( resid 31 and name HD2 )
     6.0 0.1 0.1 peak 721 volume 5.520e+02 ppm1 4.533 ppm2 3.198
ASSI ( resid 31 and name HA )
     ( resid 31 and name HD3 )
     6.0 0.1 0.1 peak 722 volume 5.670e+02 ppm1 4.533 ppm2 3.127
ASSI ( resid 31 and name HA )
     ( resid 31 and name HB2 )
     6.0 0.1 0.1 peak 723 volume 7.315e+03 ppm1 4.533 ppm2 1.920
ASSI ( resid 31 and name HA )
     ( resid 31 and name HB3 )
     6.0 0.1 0.1 peak 724 volume 2.051e+03 ppm1 4.530 ppm2 1.610
ASSI ( resid 31 and name HD2 )
     ( resid 31 and name HB2 )
     6.0 0.1 0.1 peak 725 volume 2.214e+03 ppm1 3.199 ppm2 1.920
ASSI ( resid 31 and name HD3 )
     ( resid 31 and name HB2 )
     6.0 0.1 0.1 peak 726 volume 4.186e+03 ppm1 3.150 ppm2 1.924
ASSI ( resid 31 and name HD2 )
     ( resid 31 and name HB3 )
     6.0 0.1 0.1 peak 727 volume 6.460e+02 ppm1 3.196 ppm2 1.606
ASSI ( resid 31 and name HD3 )
     ( resid 31 and name HB3 )
     6.0 0.1 0.1 peak 728 volume 3.220e+03 ppm1 3.149 ppm2 1.609
ASSI ( resid 31 and name HD2 )
     ( resid 31 and name hg# )
     6.0 0.1 0.1 peak 729 volume 5.921e+03 ppm1 3.201 ppm2 1.539
ASSI ( resid 31 and name HD3 )
     ( resid 31 and name hg# )
     6.0 0.1 0.1 peak 730 volume 6.183e+03 ppm1 3.150 ppm2 1.539
ASSI ( resid 31 and name HB2 )
     ( resid 31 and name HB3 )
     6.0 0.1 0.1 peak 731 volume 4.972e+04 ppm1 1.926 ppm2 1.609
ASSI ( resid 31 and name HB2 )
     ( resid 31 and name hg# )
     6.0 0.1 0.1 peak 732 volume 2.437e+04 ppm1 1.926 ppm2 1.541
ASSI ( resid 6 and name HA )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 735 volume 2.375e+03 ppm1 4.677 ppm2 8.435
ASSI ( resid 37 and name HA )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 737 volume 1.243e+03 ppm1 4.463 ppm2 8.672
ASSI ( attr store1 < 2.227 and attr store1 > 2.187 )
     ( attr store1 < 8.687 and attr store1 > 8.657 )
     6.0 0.1 0.1 peak 741 volume 6.200e+02 ppm1 2.207 ppm2 8.672
ASSI ( attr store1 < 1.987 and attr store1 > 1.947 )
     ( attr store1 < 8.686 and attr store1 > 8.656 )
     6.0 0.1 0.1 peak 742 volume 4.090e+03 ppm1 1.967 ppm2 8.671
ASSI ( resid 33 and name HA )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 748 volume 1.885e+03 ppm1 4.270 ppm2 8.474
ASSI ( resid 34 and name HN )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 751 volume 2.500e+03 ppm1 8.482 ppm2 9.260
ASSI ( resid 34 and name HA )
     ( resid 34 and name hb# )
     6.0 0.1 0.1 peak 753 volume 2.533e+04 ppm1 4.096 ppm2 3.906
ASSI ( attr store1 < 3.167 and attr store1 > 3.127 )
     ( attr store1 < 8.195 and attr store1 > 8.165 )
     6.0 0.1 0.1 peak 759 volume 2.042e+03 ppm1 3.147 ppm2 8.180
ASSI ( resid 35 and name ha# )
     ( resid 35 and name HN )
     6.0 0.1 0.1 peak 761 volume 3.594e+03 ppm1 3.929 ppm2 7.495
ASSI ( resid 40 and name hz# )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 762 volume 2.107e+03 ppm1 7.499 ppm2 8.431
ASSI ( resid 40 and name he# )
     ( resid 40 and name hz# )
     6.0 0.1 0.1 peak 764 volume 5.798e+03 ppm1 2.963 ppm2 7.492
ASSI ( resid 30 and name HD2 )
     ( resid 30 and name HE1 )
     6.0 0.1 0.1 peak 768 volume 1.675e+03 ppm1 7.166 ppm2 7.502
ASSI ( attr store1 < 7.52 and attr store1 > 7.48 )
     ( attr store1 < 9.889 and attr store1 > 9.859 )
     6.0 0.1 0.1 peak 769 volume 1.956e+03 ppm1 7.500 ppm2 9.874
ASSI ( resid 22 and name HE1 )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 770 volume 6.870e+02 ppm1 8.182 ppm2 9.497
ASSI ( resid 21 and name HN )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 771 volume 2.014e+03 ppm1 8.108 ppm2 9.034
ASSI ( resid 30 and name HE1 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 772 volume 2.800e+02 ppm1 7.501 ppm2 9.034
ASSI ( resid 35 and name HN )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 773 volume 1.556e+03 ppm1 7.498 ppm2 8.476
ASSI ( resid 35 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 774 volume 1.202e+03 ppm1 7.496 ppm2 8.014
ASSI ( resid 20 and name HN )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 775 volume 0.000e+00 ppm1 8.441 ppm2 8.720
ASSI ( resid 24 and name HB )
     ( resid 27 and name hd# )
     6.0 0.1 0.1 peak 778 volume 3.995e+03 ppm1 5.897 ppm2 6.262
ASSI ( resid 27 and name hd# )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 779 volume 8.790e+02 ppm1 6.269 ppm2 7.993
ASSI ( resid 24 and name HB )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 780 volume 5.940e+02 ppm1 5.886 ppm2 7.995
ASSI ( resid 24 and name HB )
     ( resid 22 and name HE1 )
     6.0 0.1 0.1 peak 781 volume 1.887e+03 ppm1 5.897 ppm2 8.181
ASSI ( resid 29 and name HA )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 782 volume 3.198e+03 ppm1 5.611 ppm2 8.106
ASSI ( resid 24 and name HB )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 783 volume 1.109e+03 ppm1 5.896 ppm2 8.398
ASSI ( resid 27 and name hd# )
     ( resid 22 and name HE1 )
     6.0 0.1 0.1 peak 784 volume 7.670e+02 ppm1 6.264 ppm2 8.185
ASSI ( resid 27 and name he# )
     ( resid 22 and name HE1 )
     6.0 0.1 0.1 peak 785 volume 1.285e+03 ppm1 6.665 ppm2 8.184
ASSI ( resid 27 and name HN )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 786 volume 1.704e+03 ppm1 6.785 ppm2 8.396
ASSI ( resid 27 and name hd# )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 787 volume 1.632e+03 ppm1 6.259 ppm2 8.956
ASSI ( resid 17 and name HA )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 790 volume 1.307e+03 ppm1 4.407 ppm2 9.877
ASSI ( resid 17 and name HB3 )
     ( resid 14 and name hg2# )
     6.0 0.1 0.1 peak 792 volume 1.221e+04 ppm1 2.486 ppm2 1.056
ASSI ( resid 17 and name HB2 )
     ( resid 14 and name hg2# )
     6.0 0.1 0.1 peak 793 volume 2.100e+03 ppm1 3.210 ppm2 1.051
ASSI ( resid 40 and name he# )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 796 volume 6.750e+02 ppm1 2.958 ppm2 0.954
ASSI ( resid 17 and name HB2 )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 797 volume 1.252e+03 ppm1 3.208 ppm2 0.954
ASSI ( resid 13 and name HB2 )
     ( resid 33 and name hd2# )
     6.0 0.1 0.1 peak 799 volume 1.452e+03 ppm1 2.249 ppm2 0.934
ASSI ( resid 13 and name hg# )
     ( resid 33 and name hd2# )
     6.0 0.1 0.1 peak 800 volume 9.890e+02 ppm1 1.927 ppm2 0.924
ASSI ( resid 37 and name hg# )
     ( resid 38 and name HB2 )
     6.0 0.1 0.1 peak 801 volume 6.123e+03 ppm1 1.958 ppm2 1.743
ASSI ( resid 37 and name hb# )
     ( resid 38 and name HB2 )
     6.0 0.1 0.1 peak 802 volume 6.127e+03 ppm1 2.206 ppm2 1.742
ASSI ( attr store1 < 2.226 and attr store1 > 2.186 )
     ( attr store1 < 1.642 and attr store1 > 1.612 )
     6.0 0.1 0.1 peak 803 volume 7.796e+03 ppm1 2.206 ppm2 1.627
ASSI ( attr store1 < 1.675 and attr store1 > 1.635 )
     ( attr store1 < 1.455 and attr store1 > 1.425 )
     6.0 0.1 0.1 peak 809 volume 6.248e+03 ppm1 1.655 ppm2 1.440
ASSI ( resid 33 and name hd1# )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 810 volume 5.180e+02 ppm1 0.952 ppm2 9.644
ASSI ( resid 13 and name hg# )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 811 volume 1.722e+03 ppm1 1.937 ppm2 9.643
ASSI ( resid 13 and name HB2 )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 812 volume 2.060e+03 ppm1 2.251 ppm2 9.644
ASSI ( attr store1 < 2.495 and attr store1 > 2.455 )
     ( attr store1 < 9.66 and attr store1 > 9.63 )
     6.0 0.1 0.1 peak 813 volume 3.636e+03 ppm1 2.475 ppm2 9.645
ASSI ( attr store1 < 3.231 and attr store1 > 3.191 )
     ( attr store1 < 9.658 and attr store1 > 9.628 )
     6.0 0.1 0.1 peak 814 volume 1.874e+03 ppm1 3.211 ppm2 9.643
ASSI ( resid 13 and name HD3 )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 815 volume 9.670e+02 ppm1 3.977 ppm2 9.646
ASSI ( resid 13 and name HD3 )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 816 volume 7.850e+02 ppm1 3.980 ppm2 9.260
ASSI ( resid 33 and name HG )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 817 volume 4.902e+03 ppm1 1.579 ppm2 9.259
ASSI ( resid 33 and name hd1# )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 818 volume 1.616e+03 ppm1 0.954 ppm2 9.260
ASSI ( resid 23 and name hg2# )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 819 volume 2.342e+03 ppm1 0.916 ppm2 9.500
ASSI ( resid 14 and name hg2# )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 820 volume 2.130e+03 ppm1 1.054 ppm2 7.944
ASSI ( resid 23 and name HB )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 821 volume 2.050e+04 ppm1 1.175 ppm2 8.006
ASSI ( resid 23 and name HG13 )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 822 volume 3.764e+03 ppm1 1.257 ppm2 8.006
ASSI ( attr store1 < 0.944 and attr store1 > 0.904 )
     ( attr store1 < 7.517 and attr store1 > 7.487 )
     6.0 0.1 0.1 peak 824 volume 1.771e+03 ppm1 0.924 ppm2 7.502
ASSI ( resid 24 and name hg2# )
     ( resid 27 and name he# )
     6.0 0.1 0.1 peak 826 volume 4.322e+03 ppm1 1.621 ppm2 6.662
ASSI ( resid 24 and name hg2# )
     ( resid 27 and name hd# )
     6.0 0.1 0.1 peak 827 volume 1.843e+03 ppm1 1.621 ppm2 6.260
ASSI ( resid 14 and name hg2# )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 828 volume 7.280e+02 ppm1 1.053 ppm2 8.425
ASSI ( resid 14 and name hg2# )
     ( resid 39 and name HN )
     6.0 0.1 0.1 peak 829 volume 5.560e+02 ppm1 1.051 ppm2 7.381
ASSI ( resid 33 and name hd1# )
     ( resid 30 and name HD2 )
     6.0 0.1 0.1 peak 830 volume 1.840e+02 ppm1 0.953 ppm2 7.163
ASSI ( resid 23 and name hg2# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 831 volume 7.030e+02 ppm1 0.915 ppm2 8.399
ASSI ( resid 33 and name hd1# )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 832 volume 1.330e+02 ppm1 0.953 ppm2 8.474
ASSI ( resid 14 and name hg2# )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 833 volume 4.550e+02 ppm1 1.053 ppm2 8.723
ASSI ( resid 23 and name HB )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 834 volume 1.244e+03 ppm1 1.174 ppm2 9.500
ASSI ( resid 23 and name HG13 )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 835 volume 4.760e+02 ppm1 1.263 ppm2 9.500
ASSI ( resid 13 and name HB2 )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 836 volume 7.500e+02 ppm1 2.249 ppm2 9.265
ASSI ( resid 13 and name hg# )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 837 volume 2.790e+02 ppm1 1.931 ppm2 9.259
ASSI ( resid 22 and name HB3 )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 838 volume 5.400e+02 ppm1 2.677 ppm2 9.498
ASSI ( resid 19 and name HA2 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 839 volume 5.170e+02 ppm1 2.707 ppm2 9.033
ASSI ( attr store1 < 3.699 and attr store1 > 3.659 )
     ( attr store1 < 9.66 and attr store1 > 9.63 )
     6.0 0.1 0.1 peak 840 volume 3.480e+02 ppm1 3.679 ppm2 9.645
ASSI ( resid 37 and name HD2 )
     ( resid 30 and name HD2 )
     6.0 0.1 0.1 peak 841 volume 5.440e+02 ppm1 3.616 ppm2 7.163
ASSI ( attr store1 < 2.983 and attr store1 > 2.943 )
     ( attr store1 < 7.177 and attr store1 > 7.147 )
     6.0 0.1 0.1 peak 842 volume 2.910e+03 ppm1 2.963 ppm2 7.162
ASSI ( resid 12 and name HB2 )
     ( resid 30 and name HD2 )
     6.0 0.1 0.1 peak 843 volume 3.733e+03 ppm1 2.714 ppm2 7.164
ASSI ( resid 12 and name HB3 )
     ( resid 30 and name HD2 )
     6.0 0.1 0.1 peak 844 volume 5.189e+03 ppm1 2.398 ppm2 7.162
ASSI ( resid 22 and name HB3 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 845 volume 3.244e+03 ppm1 2.674 ppm2 6.778
ASSI ( resid 22 and name HB3 )
     ( resid 27 and name hd# )
     6.0 0.1 0.1 peak 846 volume 1.032e+03 ppm1 2.674 ppm2 6.261
ASSI ( resid 27 and name HB2 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 849 volume 4.764e+03 ppm1 3.364 ppm2 7.802
ASSI ( resid 22 and name HB2 )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 850 volume 1.204e+03 ppm1 3.360 ppm2 8.399
ASSI ( attr store1 < 2.449 and attr store1 > 2.409 )
     ( attr store1 < 7.658 and attr store1 > 7.628 )
     6.0 0.1 0.1 peak 852 volume 6.377e+03 ppm1 2.429 ppm2 7.643
ASSI ( resid 12 and name HB3 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 853 volume 9.600e+02 ppm1 2.397 ppm2 7.535
ASSI ( attr store1 < 1.933 and attr store1 > 1.893 )
     ( attr store1 < 7.552 and attr store1 > 7.522 )
     6.0 0.1 0.1 peak 854 volume 6.220e+02 ppm1 1.913 ppm2 7.537
ASSI ( attr store1 < 1.622 and attr store1 > 1.582 )
     ( attr store1 < 7.551 and attr store1 > 7.521 )
     6.0 0.1 0.1 peak 855 volume 6.780e+02 ppm1 1.602 ppm2 7.536
ASSI ( attr store1 < 1.571 and attr store1 > 1.531 )
     ( attr store1 < 7.552 and attr store1 > 7.522 )
     6.0 0.1 0.1 peak 856 volume 1.172e+03 ppm1 1.551 ppm2 7.537
ASSI ( resid 24 and name hg2# )
     ( resid 26 and name HD21 )
     6.0 0.1 0.1 peak 857 volume 9.810e+02 ppm1 1.620 ppm2 6.890
ASSI ( attr store1 < 1.545 and attr store1 > 1.505 )
     ( attr store1 < 8.122 and attr store1 > 8.092 )
     6.0 0.1 0.1 peak 858 volume 3.760e+02 ppm1 1.525 ppm2 8.107
ASSI ( resid 38 and name HB2 )
     ( resid 39 and name HN )
     6.0 0.1 0.1 peak 859 volume 3.771e+03 ppm1 1.736 ppm2 7.382
ASSI ( resid 38 and name HB3 )
     ( resid 39 and name HN )
     6.0 0.1 0.1 peak 860 volume 9.530e+02 ppm1 1.581 ppm2 7.382
ASSI ( resid 24 and name hg2# )
     ( resid 26 and name HD22 )
     6.0 0.1 0.1 peak 861 volume 1.673e+03 ppm1 1.621 ppm2 7.325
ASSI ( attr store1 < 3.956 and attr store1 > 3.916 )
     ( attr store1 < 7.661 and attr store1 > 7.631 )
     6.0 0.1 0.1 peak 862 volume 3.940e+02 ppm1 3.936 ppm2 7.646
ASSI ( attr store1 < 4.714 and attr store1 > 4.674 )
     ( attr store1 < 7.66 and attr store1 > 7.63 )
     6.0 0.1 0.1 peak 863 volume 1.699e+03 ppm1 4.694 ppm2 7.645
ASSI ( resid 31 and name HA )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 864 volume 1.523e+03 ppm1 4.527 ppm2 7.537
ASSI ( resid 24 and name HA )
     ( resid 26 and name HD22 )
     6.0 0.1 0.1 peak 868 volume 5.034e+03 ppm1 4.459 ppm2 7.326
ASSI ( attr store1 < 4.294 and attr store1 > 4.254 )
     ( attr store1 < 7.178 and attr store1 > 7.148 )
     6.0 0.1 0.1 peak 869 volume 9.380e+02 ppm1 4.274 ppm2 7.163
ASSI ( resid 12 and name HA )
     ( resid 30 and name HD2 )
     6.0 0.1 0.1 peak 870 volume 2.387e+03 ppm1 4.122 ppm2 7.163
ASSI ( resid 29 and name HB2 )
     ( resid 31 and name HE )
     6.0 0.1 0.1 peak 871 volume 5.220e+02 ppm1 3.955 ppm2 7.162
ASSI ( resid 25 and name HA2 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 872 volume 3.150e+02 ppm1 4.087 ppm2 6.780
ASSI ( resid 24 and name HA )
     ( resid 26 and name HD21 )
     6.0 0.1 0.1 peak 873 volume 1.843e+03 ppm1 4.458 ppm2 6.889
ASSI ( resid 27 and name HA )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 877 volume 8.930e+02 ppm1 4.769 ppm2 7.798
ASSI ( resid 9 and name HA )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 879 volume 2.810e+02 ppm1 4.544 ppm2 7.948
ASSI ( resid 14 and name HA )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 880 volume 1.291e+03 ppm1 4.269 ppm2 7.944
ASSI ( resid 37 and name HD2 )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 882 volume 3.110e+02 ppm1 3.614 ppm2 8.007
ASSI ( resid 29 and name HB3 )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 883 volume 1.562e+03 ppm1 3.905 ppm2 8.103
ASSI ( resid 23 and name HA )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 884 volume 7.210e+02 ppm1 3.894 ppm2 8.398
ASSI ( resid 13 and name HD2 )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 889 volume 5.040e+02 ppm1 4.274 ppm2 8.773
ASSI ( attr store1 < 4.197 and attr store1 > 4.157 )
     ( attr store1 < 8.749 and attr store1 > 8.719 )
     6.0 0.1 0.1 peak 891 volume 3.370e+02 ppm1 4.177 ppm2 8.734
ASSI ( resid 24 and name HA )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 895 volume 3.664e+03 ppm1 4.460 ppm2 7.994
ASSI ( resid 12 and name HA )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 896 volume 5.440e+02 ppm1 4.121 ppm2 9.645
ASSI ( resid 12 and name HB2 )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 898 volume 1.427e+03 ppm1 2.710 ppm2 9.642
ASSI ( resid 22 and name HB2 )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 900 volume 4.300e+02 ppm1 3.365 ppm2 9.499
ASSI ( attr store1 < 3.226 and attr store1 > 3.186 )
     ( attr store1 < 9.891 and attr store1 > 9.861 )
     6.0 0.1 0.1 peak 902 volume 6.910e+02 ppm1 3.206 ppm2 9.876
ASSI ( resid 27 and name HB3 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 903 volume 2.516e+03 ppm1 2.427 ppm2 7.800
ASSI ( resid 22 and name HB3 )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 904 volume 1.913e+03 ppm1 2.681 ppm2 8.399
ASSI ( resid 12 and name HA )
     ( resid 12 and name HB2 )
     6.0 0.1 0.1 peak 907 volume 1.208e+04 ppm1 4.122 ppm2 2.711
ASSI ( resid 19 and name HA1 )
     ( resid 19 and name HA2 )
     6.0 0.1 0.1 peak 910 volume 2.712e+04 ppm1 4.090 ppm2 2.690
ASSI ( resid 21 and name HA1 )
     ( resid 21 and name HA2 )
     6.0 0.1 0.1 peak 913 volume 2.189e+04 ppm1 4.395 ppm2 3.798
ASSI ( resid 23 and name hg2# )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 914 volume 5.016e+03 ppm1 0.917 ppm2 8.004
ASSI ( resid 23 and name HG12 )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 915 volume 2.419e+03 ppm1 1.396 ppm2 8.004
ASSI ( resid 23 and name HG12 )
     ( resid 23 and name HG13 )
     6.0 0.1 0.1 peak 917 volume 1.125e+04 ppm1 1.395 ppm2 1.258
ASSI ( resid 23 and name HG12 )
     ( resid 23 and name HB )
     6.0 0.1 0.1 peak 918 volume 1.279e+04 ppm1 1.395 ppm2 1.173
ASSI ( resid 23 and name HG12 )
     ( resid 23 and name hg2# )
     6.0 0.1 0.1 peak 919 volume 1.147e+04 ppm1 1.396 ppm2 0.913
ASSI ( resid 23 and name HG13 )
     ( resid 23 and name hg2# )
     6.0 0.1 0.1 peak 920 volume 8.215e+03 ppm1 1.259 ppm2 0.912
ASSI ( resid 23 and name HB )
     ( resid 23 and name hg2# )
     6.0 0.1 0.1 peak 921 volume 1.512e+04 ppm1 1.173 ppm2 0.912
ASSI ( resid 23 and name HA )
     ( resid 23 and name HG12 )
     6.0 0.1 0.1 peak 922 volume 3.583e+03 ppm1 3.897 ppm2 1.394
ASSI ( resid 23 and name HA )
     ( resid 23 and name HG13 )
     6.0 0.1 0.1 peak 923 volume 2.228e+03 ppm1 3.897 ppm2 1.261
ASSI ( resid 23 and name HA )
     ( resid 23 and name HB )
     6.0 0.1 0.1 peak 924 volume 5.868e+03 ppm1 3.896 ppm2 1.173
ASSI ( resid 23 and name HA )
     ( resid 23 and name hd1# )
     6.0 0.1 0.1 peak 925 volume 7.603e+03 ppm1 3.897 ppm2 0.880
ASSI ( resid 24 and name HB )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 926 volume 6.960e+02 ppm1 5.897 ppm2 4.458
ASSI ( resid 24 and name HB )
     ( resid 24 and name hg2# )
     6.0 0.1 0.1 peak 927 volume 4.503e+03 ppm1 5.897 ppm2 1.620
ASSI ( attr store1 < 4.48 and attr store1 > 4.44 )
     ( attr store1 < 1.636 and attr store1 > 1.606 )
     6.0 0.1 0.1 peak 928 volume 7.714e+03 ppm1 4.460 ppm2 1.621
ASSI ( resid 33 and name HA )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 929 volume 1.558e+03 ppm1 4.271 ppm2 0.955
ASSI ( resid 33 and name hb# )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 931 volume 5.092e+03 ppm1 1.761 ppm2 0.953
ASSI ( resid 33 and name HA )
     ( resid 33 and name HG )
     6.0 0.1 0.1 peak 934 volume 2.638e+03 ppm1 4.273 ppm2 1.578
ASSI ( resid 33 and name HG )
     ( resid 33 and name hd2# )
     6.0 0.1 0.1 peak 935 volume 1.380e+04 ppm1 1.579 ppm2 0.925
ASSI ( resid 34 and name HA )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 937 volume 2.713e+03 ppm1 4.095 ppm2 8.474
ASSI ( resid 34 and name hb# )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 938 volume 1.559e+03 ppm1 3.908 ppm2 8.474
ASSI ( resid 34 and name HA )
     ( resid 35 and name HN )
     6.0 0.1 0.1 peak 940 volume 1.885e+03 ppm1 4.091 ppm2 7.496
ASSI ( resid 40 and name HB2 )
     ( resid 40 and name hg# )
     6.0 0.1 0.1 peak 943 volume 5.332e+03 ppm1 1.819 ppm2 1.450
ASSI ( resid 40 and name HB3 )
     ( resid 40 and name hg# )
     6.0 0.1 0.1 peak 944 volume 3.852e+03 ppm1 1.769 ppm2 1.450
ASSI ( resid 40 and name hd# )
     ( resid 40 and name hg# )
     6.0 0.1 0.1 peak 945 volume 6.090e+03 ppm1 1.691 ppm2 1.450
ASSI ( resid 41 and name he# )
     ( resid 41 and name HG2 )
     6.0 0.1 0.1 peak 947 volume 4.660e+02 ppm1 2.986 ppm2 1.460
ASSI ( resid 41 and name HA )
     ( resid 41 and name HG3 )
     6.0 0.1 0.1 peak 948 volume 4.150e+02 ppm1 4.341 ppm2 1.361
ASSI ( resid 40 and name HA )
     ( resid 39 and name hb# )
     6.0 0.1 0.1 peak 949 volume 1.864e+03 ppm1 4.273 ppm2 1.361
ASSI ( attr store1 < 4.294 and attr store1 > 4.254 )
     ( attr store1 < 1.475 and attr store1 > 1.445 )
     6.0 0.1 0.1 peak 950 volume 6.750e+02 ppm1 4.274 ppm2 1.460
ASSI ( resid 44 and name HG )
     ( resid 44 and name HN )
     6.0 0.1 0.1 peak 951 volume 1.426e+04 ppm1 1.602 ppm2 8.183
ASSI ( resid 44 and name HG )
     ( resid 44 and name hd1# )
     6.0 0.1 0.1 peak 952 volume 4.641e+03 ppm1 1.604 ppm2 0.932
ASSI ( resid 44 and name HG )
     ( resid 44 and name hd2# )
     6.0 0.1 0.1 peak 953 volume 3.810e+03 ppm1 1.604 ppm2 0.864
ASSI ( resid 45 and name HA )
     ( resid 45 and name HB2 )
     6.0 0.1 0.1 peak 954 volume 2.090e+02 ppm1 4.395 ppm2 1.870
ASSI ( resid 45 and name HA )
     ( resid 45 and name HB3 )
     6.0 0.1 0.1 peak 955 volume 1.927e+03 ppm1 4.392 ppm2 1.766
ASSI ( resid 45 and name HA )
     ( resid 45 and name HG2 )
     6.0 0.1 0.1 peak 956 volume 2.007e+03 ppm1 4.395 ppm2 1.648
ASSI ( resid 45 and name HA )
     ( resid 45 and name HG3 )
     6.0 0.1 0.1 peak 957 volume 1.711e+03 ppm1 4.397 ppm2 1.612
ASSI ( attr store1 < 6.292 and attr store1 > 6.252 )
     ( attr store1 < 7.66 and attr store1 > 7.63 )
     6.0 0.1 0.1 peak 959 volume 6.173e+03 ppm1 6.272 ppm2 7.645
ASSI ( resid 27 and name hd# )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 960 volume 2.178e+03 ppm1 6.266 ppm2 7.802
ASSI ( resid 30 and name HD2 )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 961 volume 4.630e+02 ppm1 7.171 ppm2 8.774
ASSI ( resid 20 and name HA )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 964 volume 8.680e+02 ppm1 4.462 ppm2 9.031
ASSI ( resid 12 and name HB3 )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 966 volume 4.537e+03 ppm1 2.392 ppm2 8.773
ASSI ( attr store1 < 4.292 and attr store1 > 4.252 )
     ( attr store1 < 2.726 and attr store1 > 2.696 )
     6.0 0.1 0.1 peak 970 volume 1.164e+03 ppm1 4.272 ppm2 2.711
ASSI ( attr store1 < 3.96 and attr store1 > 3.92 )
     ( attr store1 < 3.158 and attr store1 > 3.128 )
     6.0 0.1 0.1 peak 972 volume 1.916e+04 ppm1 3.940 ppm2 3.143
ASSI ( resid 37 and name HD2 )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 975 volume 6.481e+03 ppm1 3.614 ppm2 2.723
ASSI ( resid 22 and name HB2 )
     ( resid 22 and name HB3 )
     6.0 0.1 0.1 peak 976 volume 9.726e+03 ppm1 3.364 ppm2 2.679
ASSI ( attr store1 < 3.2 and attr store1 > 3.16 )
     ( attr store1 < 2.977 and attr store1 > 2.947 )
     6.0 0.1 0.1 peak 977 volume 9.373e+03 ppm1 3.180 ppm2 2.962
ASSI ( resid 12 and name HB2 )
     ( resid 12 and name HB3 )
     6.0 0.1 0.1 peak 981 volume 3.743e+04 ppm1 2.710 ppm2 2.395
ASSI ( resid 12 and name HA )
     ( resid 12 and name HB3 )
     6.0 0.1 0.1 peak 982 volume 1.033e+04 ppm1 4.118 ppm2 2.390
ASSI ( attr store1 < 3.914 and attr store1 > 3.874 )
     ( attr store1 < 2.223 and attr store1 > 2.193 )
     6.0 0.1 0.1 peak 987 volume 2.536e+03 ppm1 3.894 ppm2 2.208
ASSI ( resid 30 and name HD2 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 990 volume 3.715e+03 ppm1 7.164 ppm2 7.538
ASSI ( resid 13 and name HB3 )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 992 volume 3.630e+02 ppm1 2.176 ppm2 9.643
ASSI ( resid 36 and name HB2 )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 993 volume 9.750e+02 ppm1 3.147 ppm2 8.002
ASSI ( resid 32 and name HA )
     ( resid 30 and name HD2 )
     6.0 0.1 0.1 peak 994 volume 5.180e+02 ppm1 4.802 ppm2 7.163
ASSI ( resid 12 and name HB2 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 995 volume 4.100e+02 ppm1 2.711 ppm2 7.537
ASSI ( resid 30 and name HB3 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 996 volume 1.539e+03 ppm1 3.268 ppm2 7.537
ASSI ( resid 30 and name HB2 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 997 volume 1.060e+03 ppm1 3.358 ppm2 7.537
ASSI ( resid 30 and name HA )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 998 volume 6.290e+02 ppm1 5.117 ppm2 7.535
ASSI ( resid 30 and name HA )
     ( resid 30 and name HD2 )
     6.0 0.1 0.1 peak 999 volume 4.970e+02 ppm1 5.118 ppm2 7.164
ASSI ( resid 22 and name HA )
     ( resid 23 and name HB )
     6.0 0.1 0.1 peak 1000 volume 5.700e+02 ppm1 4.693 ppm2 1.176
ASSI ( attr store1 < 4.164 and attr store1 > 4.124 )
     ( attr store1 < 0.957 and attr store1 > 0.927 )
     6.0 0.1 0.1 peak 1002 volume 1.151e+03 ppm1 4.144 ppm2 0.942
ASSI ( resid 39 and name HA )
     ( resid 14 and name hg2# )
     6.0 0.1 0.1 peak 1003 volume 2.452e+03 ppm1 4.176 ppm2 1.052
ASSI ( resid 37 and name HA )
     ( resid 38 and name hg# )
     6.0 0.1 0.1 peak 1004 volume 1.968e+03 ppm1 4.463 ppm2 1.401
ASSI ( resid 27 and name HA )
     ( resid 28 and name hb# )
     6.0 0.1 0.1 peak 1006 volume 1.192e+03 ppm1 4.770 ppm2 1.523
ASSI ( attr store1 < 3.383 and attr store1 > 3.343 )
     ( attr store1 < 1.537 and attr store1 > 1.507 )
     6.0 0.1 0.1 peak 1013 volume 8.170e+02 ppm1 3.363 ppm2 1.522
ASSI ( attr store1 < 3.911 and attr store1 > 3.871 )
     ( attr store1 < 1.973 and attr store1 > 1.943 )
     6.0 0.1 0.1 peak 1014 volume 1.058e+03 ppm1 3.891 ppm2 1.958
ASSI ( resid 23 and name HA )
     ( resid 24 and name hg2# )
     6.0 0.1 0.1 peak 1016 volume 4.510e+03 ppm1 3.898 ppm2 1.626
ASSI ( attr store1 < 3.918 and attr store1 > 3.878 )
     ( attr store1 < 1.541 and attr store1 > 1.511 )
     6.0 0.1 0.1 peak 1017 volume 7.400e+02 ppm1 3.898 ppm2 1.526
ASSI ( resid 37 and name HD2 )
     ( resid 38 and name hg# )
     6.0 0.1 0.1 peak 1018 volume 4.760e+02 ppm1 3.609 ppm2 1.405
ASSI ( resid 37 and name HD2 )
     ( resid 38 and name HB3 )
     6.0 0.1 0.1 peak 1019 volume 5.740e+02 ppm1 3.606 ppm2 1.576
ASSI ( resid 37 and name HD2 )
     ( resid 38 and name HB2 )
     6.0 0.1 0.1 peak 1020 volume 2.293e+03 ppm1 3.608 ppm2 1.738
ASSI ( attr store1 < 2.702 and attr store1 > 2.662 )
     ( attr store1 < 1.966 and attr store1 > 1.936 )
     6.0 0.1 0.1 peak 1026 volume 5.010e+02 ppm1 2.682 ppm2 1.951
ASSI ( attr store1 < 2.729 and attr store1 > 2.689 )
     ( attr store1 < 1.708 and attr store1 > 1.678 )
     6.0 0.1 0.1 peak 1028 volume 2.360e+02 ppm1 2.709 ppm2 1.693
ASSI ( attr store1 < 2.724 and attr store1 > 2.684 )
     ( attr store1 < 1.623 and attr store1 > 1.593 )
     6.0 0.1 0.1 peak 1030 volume 7.650e+02 ppm1 2.704 ppm2 1.608
ASSI ( attr store1 < 2.727 and attr store1 > 2.687 )
     ( attr store1 < 1.185 and attr store1 > 1.155 )
     6.0 0.1 0.1 peak 1031 volume 3.950e+02 ppm1 2.707 ppm2 1.170
ASSI ( attr store1 < 4.718 and attr store1 > 4.678 )
     ( attr store1 < 3.627 and attr store1 > 3.597 )
     6.0 0.1 0.1 peak 1032 volume 1.506e+03 ppm1 4.698 ppm2 3.612
ASSI ( attr store1 < 4.476 and attr store1 > 4.436 )
     ( attr store1 < 1.193 and attr store1 > 1.163 )
     6.0 0.1 0.1 peak 1034 volume 2.235e+03 ppm1 4.456 ppm2 1.178
ASSI ( resid 39 and name hb# )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 1035 volume 4.890e+03 ppm1 1.363 ppm2 0.946
ASSI ( resid 39 and name hb# )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 1038 volume 9.560e+02 ppm1 1.362 ppm2 7.466
ASSI ( attr store1 < 1.381 and attr store1 > 1.341 )
     ( attr store1 < 0.94 and attr store1 > 0.91 )
     6.0 0.1 0.1 peak 1039 volume 2.783e+03 ppm1 1.361 ppm2 0.925
ASSI ( resid 15 and name hd# )
     ( resid 14 and name hg2# )
     6.0 0.1 0.1 peak 1040 volume 5.243e+03 ppm1 3.675 ppm2 1.051
ASSI ( resid 9 and name HA )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 1041 volume 3.038e+03 ppm1 4.555 ppm2 8.774
ASSI ( resid 13 and name HD3 )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 1042 volume 7.310e+02 ppm1 3.990 ppm2 8.771
ASSI ( resid 12 and name HA )
     ( resid 33 and name HG )
     6.0 0.1 0.1 peak 1044 volume 2.090e+02 ppm1 4.118 ppm2 1.583
ASSI ( attr store1 < 4.541 and attr store1 > 4.501 )
     ( attr store1 < 2.4 and attr store1 > 2.37 )
     6.0 0.1 0.1 peak 1045 volume 2.040e+03 ppm1 4.521 ppm2 2.385
ASSI ( resid 21 and name HA2 )
     ( resid 37 and name hg# )
     6.0 0.1 0.1 peak 1047 volume 5.280e+02 ppm1 3.794 ppm2 1.957
ASSI ( resid 12 and name HB3 )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 1048 volume 4.430e+02 ppm1 2.392 ppm2 9.643
ASSI ( resid 22 and name HB3 )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 1050 volume 1.836e+03 ppm1 2.683 ppm2 8.668
ASSI ( resid 22 and name HA )
     ( resid 22 and name HB3 )
     6.0 0.1 0.1 peak 1052 volume 4.890e+03 ppm1 4.698 ppm2 2.684
ASSI ( resid 29 and name HB2 )
     ( resid 29 and name HB3 )
     6.0 0.1 0.1 peak 1053 volume 0.000e+00 ppm1 3.967 ppm2 3.897
ASSI ( resid 34 and name hb# )
     ( resid 35 and name HN )
     6.0 0.1 0.1 peak 1054 volume 2.176e+03 ppm1 3.908 ppm2 7.495
ASSI ( resid 40 and name HA )
     ( resid 41 and name HN )
     6.0 0.1 0.1 peak 1055 volume 2.666e+03 ppm1 4.276 ppm2 8.539
ASSI ( resid 42 and name HA )
     ( resid 42 and name HN )
     6.0 0.1 0.1 peak 1056 volume 6.910e+02 ppm1 4.371 ppm2 8.374
ASSI ( resid 42 and name HA )
     ( resid 42 and name HB3 )
     6.0 0.1 0.1 peak 1058 volume 2.387e+03 ppm1 4.377 ppm2 3.838
ASSI ( resid 29 and name HA )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 1066 volume 9.940e+02 ppm1 5.617 ppm2 4.471
ASSI ( attr store1 < 1.64 and attr store1 > 1.6 )
     ( attr store1 < 8.013 and attr store1 > 7.983 )
     6.0 0.1 0.1 peak 1067 volume 2.595e+03 ppm1 1.620 ppm2 7.998
ASSI ( resid 23 and name HG12 )
     ( resid 23 and name hd1# )
     6.0 0.1 0.1 peak 1072 volume 1.094e+04 ppm1 1.396 ppm2 0.880
ASSI ( resid 23 and name HB )
     ( resid 23 and name hd1# )
     6.0 0.1 0.1 peak 1073 volume 6.860e+03 ppm1 1.174 ppm2 0.880
ASSI ( resid 23 and name HG13 )
     ( resid 23 and name hd1# )
     6.0 0.1 0.1 peak 1074 volume 1.166e+04 ppm1 1.260 ppm2 0.880
ASSI ( resid 23 and name hd1# )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 1075 volume 4.100e+02 ppm1 0.879 ppm2 8.004
ASSI ( resid 23 and name hd1# )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 1076 volume 9.550e+02 ppm1 0.880 ppm2 9.499
ASSI ( resid 20 and name HA )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 1077 volume 6.447e+03 ppm1 4.469 ppm2 8.436
ASSI ( resid 41 and name HA )
     ( resid 41 and name HG2 )
     6.0 0.1 0.1 peak 1078 volume 2.100e+02 ppm1 4.341 ppm2 1.456
ASSI ( attr store1 < 2.412 and attr store1 > 2.372 )
     ( attr store1 < 8.839 and attr store1 > 8.809 )
     6.0 0.1 0.1 peak 1081 volume 4.470e+02 ppm1 2.392 ppm2 8.824
ASSI ( attr store1 < 2.728 and attr store1 > 2.688 )
     ( attr store1 < 8.839 and attr store1 > 8.809 )
     6.0 0.1 0.1 peak 1082 volume 6.000e+02 ppm1 2.708 ppm2 8.824
ASSI ( attr store1 < 7.95 and attr store1 > 7.91 )
     ( attr store1 < 8.731 and attr store1 > 8.701 )
     6.0 0.1 0.1 peak 1083 volume 0.000e+00 ppm1 7.930 ppm2 8.716
ASSI ( resid 30 and name HA )
     ( resid 35 and name HN )
     6.0 0.1 0.1 peak 1087 volume 2.650e+02 ppm1 5.119 ppm2 7.496
ASSI ( attr store1 < 3.821 and attr store1 > 3.781 )
     ( attr store1 < 7.511 and attr store1 > 7.481 )
     6.0 0.1 0.1 peak 1088 volume 2.360e+02 ppm1 3.801 ppm2 7.496
ASSI ( attr store1 < 4.417 and attr store1 > 4.377 )
     ( attr store1 < 7.506 and attr store1 > 7.476 )
     6.0 0.1 0.1 peak 1091 volume 6.440e+02 ppm1 4.397 ppm2 7.491
ASSI ( attr store1 < 2.442 and attr store1 > 2.402 )
     ( attr store1 < 8.007 and attr store1 > 7.977 )
     6.0 0.1 0.1 peak 1093 volume 4.240e+02 ppm1 2.422 ppm2 7.992
ASSI ( resid 22 and name HB3 )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 1094 volume 3.337e+03 ppm1 2.678 ppm2 7.997
ASSI ( resid 9 and name HB2 )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 1095 volume 2.240e+02 ppm1 2.706 ppm2 7.940
ASSI ( attr store1 < 2.696 and attr store1 > 2.656 )
     ( attr store1 < 7.807 and attr store1 > 7.777 )
     6.0 0.1 0.1 peak 1096 volume 3.150e+02 ppm1 2.676 ppm2 7.792
ASSI ( attr store1 < 2.98 and attr store1 > 2.94 )
     ( attr store1 < 7.398 and attr store1 > 7.368 )
     6.0 0.1 0.1 peak 1102 volume 6.740e+02 ppm1 2.960 ppm2 7.383
ASSI ( attr store1 < 2.729 and attr store1 > 2.689 )
     ( attr store1 < 7.512 and attr store1 > 7.482 )
     6.0 0.1 0.1 peak 1103 volume 4.724e+03 ppm1 2.709 ppm2 7.497
ASSI ( resid 33 and name HG )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 1104 volume 6.990e+02 ppm1 1.579 ppm2 8.476
ASSI ( resid 30 and name HB3 )
     ( resid 30 and name HD2 )
     6.0 0.1 0.1 peak 1105 volume 2.589e+03 ppm1 3.266 ppm2 7.162
ASSI ( resid 30 and name HB2 )
     ( resid 30 and name HD2 )
     6.0 0.1 0.1 peak 1106 volume 2.598e+03 ppm1 3.352 ppm2 7.165
ASSI ( attr store1 < 4.497 and attr store1 > 4.457 )
     ( attr store1 < 3.992 and attr store1 > 3.962 )
     6.0 0.1 0.1 peak 1110 volume 4.785e+03 ppm1 4.477 ppm2 3.977
ASSI ( attr store1 < 4.164 and attr store1 > 4.124 )
     ( attr store1 < 3.992 and attr store1 > 3.962 )
     6.0 0.1 0.1 peak 1111 volume 2.971e+03 ppm1 4.144 ppm2 3.977
ASSI ( attr store1 < 4.48 and attr store1 > 4.44 )
     ( attr store1 < 3.9 and attr store1 > 3.87 )
     6.0 0.1 0.1 peak 1113 volume 5.439e+03 ppm1 4.460 ppm2 3.885
ASSI ( resid 29 and name HA )
     ( resid 21 and name HA2 )
     6.0 0.1 0.1 peak 1115 volume 9.510e+02 ppm1 5.614 ppm2 3.784
ASSI ( attr store1 < 2.984 and attr store1 > 2.944 )
     ( attr store1 < 1.371 and attr store1 > 1.341 )
     6.0 0.1 0.1 peak 1116 volume 2.984e+03 ppm1 2.964 ppm2 1.356
ASSI ( attr store1 < 3.226 and attr store1 > 3.186 )
     ( attr store1 < 1.434 and attr store1 > 1.404 )
     6.0 0.1 0.1 peak 1117 volume 2.090e+02 ppm1 3.206 ppm2 1.419
ASSI ( resid 33 and name hb# )
     ( resid 14 and name hg2# )
     6.0 0.1 0.1 peak 1120 volume 4.602e+03 ppm1 1.747 ppm2 1.048
ASSI ( attr store1 < 1.623 and attr store1 > 1.583 )
     ( attr store1 < 1.073 and attr store1 > 1.043 )
     6.0 0.1 0.1 peak 1121 volume 1.191e+03 ppm1 1.603 ppm2 1.058
ASSI ( resid 37 and name HD2 )
     ( resid 37 and name HD3 )
     6.0 0.1 0.1 peak 1122 volume 7.912e+03 ppm1 3.609 ppm2 3.043
ASSI ( attr store1 < 8.424 and attr store1 > 8.384 )
     ( attr store1 < 8.685 and attr store1 > 8.655 )
     6.0 0.1 0.1 peak 1123 volume 0.000e+00 ppm1 8.404 ppm2 8.670
ASSI ( resid 27 and name HA )
     ( resid 24 and name hg2# )
     6.0 0.1 0.1 peak 1127 volume 2.020e+02 ppm1 4.769 ppm2 1.619
ASSI ( resid 37 and name HD3 )
     ( resid 37 and name hg# )
     6.0 0.1 0.1 peak 1131 volume 2.285e+03 ppm1 3.052 ppm2 1.962
ASSI ( resid 37 and name HD3 )
     ( resid 37 and name hb# )
     6.0 0.1 0.1 peak 1132 volume 3.600e+02 ppm1 3.055 ppm2 2.207
ASSI ( resid 37 and name HD3 )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 1133 volume 9.320e+02 ppm1 3.045 ppm2 8.728
ASSI ( resid 19 and name HA1 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 1135 volume 1.350e+03 ppm1 4.084 ppm2 9.029
ASSI ( attr store1 < 4.148 and attr store1 > 4.108 )
     ( attr store1 < 2.271 and attr store1 > 2.241 )
     6.0 0.1 0.1 peak 1140 volume 1.303e+03 ppm1 4.128 ppm2 2.256
ASSI ( attr store1 < 3.005 and attr store1 > 2.965 )
     ( attr store1 < 1.372 and attr store1 > 1.342 )
     6.0 0.1 0.1 peak 1141 volume 3.134e+03 ppm1 2.985 ppm2 1.357
ASSI ( resid 13 and name HD3 )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 1143 volume 4.920e+03 ppm1 3.990 ppm2 2.250
ASSI ( resid 13 and name HD3 )
     ( resid 13 and name hg# )
     6.0 0.1 0.1 peak 1144 volume 3.219e+03 ppm1 3.990 ppm2 1.934
ASSI ( resid 13 and name HA )
     ( resid 13 and name HD2 )
     6.0 0.1 0.1 peak 1145 volume 1.830e+02 ppm1 4.668 ppm2 4.255
ASSI ( resid 13 and name HD2 )
     ( resid 13 and name HD3 )
     6.0 0.1 0.1 peak 1146 volume 8.762e+03 ppm1 4.270 ppm2 3.979
ASSI ( resid 9 and name HA )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 1147 volume 5.279e+03 ppm1 4.553 ppm2 2.687
ASSI ( resid 9 and name HA )
     ( resid 9 and name HB3 )
     6.0 0.1 0.1 peak 1148 volume 2.071e+03 ppm1 4.553 ppm2 2.558
ASSI ( resid 37 and name HD3 )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 1149 volume 9.250e+02 ppm1 3.046 ppm2 8.005
ASSI ( attr store1 < 4.477 and attr store1 > 4.437 )
     ( attr store1 < 8.552 and attr store1 > 8.522 )
     6.0 0.1 0.1 peak 1152 volume 1.164e+03 ppm1 4.457 ppm2 8.537
ASSI ( attr store1 < 4.285 and attr store1 > 4.245 )
     ( attr store1 < 7.497 and attr store1 > 7.467 )
     6.0 0.1 0.1 peak 1153 volume 1.208e+03 ppm1 4.265 ppm2 7.482
ASSI ( resid 33 and name hd2# )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 1160 volume 5.320e+02 ppm1 0.924 ppm2 9.644
ASSI ( resid 33 and name hd2# )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 1161 volume 1.710e+03 ppm1 0.922 ppm2 9.260
ASSI ( resid 33 and name HG )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 1165 volume 4.431e+03 ppm1 1.578 ppm2 0.953
ASSI ( resid 33 and name hb# )
     ( resid 33 and name hd2# )
     6.0 0.1 0.1 peak 1166 volume 7.928e+03 ppm1 1.761 ppm2 0.925
ASSI ( attr store1 < 4.268 and attr store1 > 4.228 )
     ( attr store1 < 0.895 and attr store1 > 0.865 )
     6.0 0.1 0.1 peak 1167 volume 1.232e+03 ppm1 4.248 ppm2 0.880
ASSI ( attr store1 < 5.91 and attr store1 > 5.87 )
     ( attr store1 < 0.919 and attr store1 > 0.889 )
     6.0 0.1 0.1 peak 1168 volume 0.000e+00 ppm1 5.890 ppm2 0.904
ASSI ( resid 24 and name HA )
     ( resid 27 and name hd# )
     6.0 0.1 0.1 peak 1169 volume 4.880e+02 ppm1 4.459 ppm2 6.259
ASSI ( resid 36 and name HB2 )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 1170 volume 1.883e+03 ppm1 3.154 ppm2 7.468
ASSI ( resid 34 and name hb# )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 1171 volume 8.210e+02 ppm1 3.907 ppm2 7.468
ASSI ( resid 35 and name ha# )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 1172 volume 8.890e+02 ppm1 3.932 ppm2 7.468
ASSI ( resid 36 and name HB3 )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 1173 volume 2.915e+03 ppm1 2.966 ppm2 2.726
ASSI ( resid 36 and name HB2 )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 1174 volume 7.956e+03 ppm1 3.154 ppm2 2.726
ASSI ( resid 36 and name HB2 )
     ( resid 36 and name HB3 )
     6.0 0.1 0.1 peak 1175 volume 4.633e+03 ppm1 3.154 ppm2 2.966
ASSI ( resid 37 and name HD3 )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 1176 volume 3.196e+03 ppm1 3.050 ppm2 2.723
ASSI ( resid 23 and name HA )
     ( resid 23 and name hg2# )
     6.0 0.1 0.1 peak 1177 volume 7.180e+03 ppm1 3.897 ppm2 0.912
ASSI ( resid 22 and name HB3 )
     ( resid 22 and name HD2 )
     6.0 0.1 0.1 peak 1178 volume 1.631e+03 ppm1 2.675 ppm2 7.645
ASSI ( resid 25 and name HA1 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 1179 volume 5.450e+02 ppm1 4.231 ppm2 6.780
ASSI ( attr store1 < 3.065 and attr store1 > 3.025 )
     ( attr store1 < 7.509 and attr store1 > 7.479 )
     6.0 0.1 0.1 peak 1184 volume 2.647e+03 ppm1 3.045 ppm2 7.494
ASSI ( attr store1 < 3.064 and attr store1 > 3.024 )
     ( attr store1 < 7.18 and attr store1 > 7.15 )
     6.0 0.1 0.1 peak 1185 volume 1.750e+02 ppm1 3.044 ppm2 7.165
ASSI ( resid 33 and name hd2# )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 1191 volume 1.480e+02 ppm1 0.921 ppm2 8.474
ASSI ( attr store1 < 0.943 and attr store1 > 0.903 )
     ( attr store1 < 7.178 and attr store1 > 7.148 )
     6.0 0.1 0.1 peak 1192 volume 2.370e+02 ppm1 0.923 ppm2 7.163
ASSI ( resid 33 and name hb# )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 1193 volume 7.900e+02 ppm1 1.766 ppm2 8.476
ASSI ( attr store1 < 4.416 and attr store1 > 4.376 )
     ( attr store1 < 1.977 and attr store1 > 1.947 )
     6.0 0.1 0.1 peak 1194 volume 1.416e+03 ppm1 4.396 ppm2 1.962
ASSI ( resid 13 and name HD2 )
     ( resid 12 and name HA )
     6.0 0.1 0.1 peak 1196 volume 2.694e+03 ppm1 4.274 ppm2 4.124
ASSI ( attr store1 < 4.388 and attr store1 > 4.348 )
     ( attr store1 < 1.239 and attr store1 > 1.209 )
     6.0 0.1 0.1 peak 1198 volume 1.050e+02 ppm1 4.368 ppm2 1.224
ASSI ( resid 23 and name hd1# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 1199 volume 4.470e+02 ppm1 0.885 ppm2 8.400
ASSI ( attr store1 < 4.29 and attr store1 > 4.25 )
     ( attr store1 < 2.493 and attr store1 > 2.463 )
     6.0 0.1 0.1 peak 1208 volume 4.360e+02 ppm1 4.270 ppm2 2.478
ASSI ( attr store1 < 4.262 and attr store1 > 4.222 )
     ( attr store1 < 2.701 and attr store1 > 2.671 )
     6.0 0.1 0.1 peak 1211 volume 5.040e+02 ppm1 4.242 ppm2 2.686
ASSI ( attr store1 < 2.752 and attr store1 > 2.712 )
     ( attr store1 < 1.976 and attr store1 > 1.946 )
     6.0 0.1 0.1 peak 1213 volume 4.480e+02 ppm1 2.732 ppm2 1.961
ASSI ( resid 32 and name HA )
     ( resid 13 and name HD3 )
     6.0 0.1 0.1 peak 1215 volume 2.033e+03 ppm1 4.803 ppm2 3.982
ASSI ( attr store1 < 4.403 and attr store1 > 4.363 )
     ( attr store1 < 2.701 and attr store1 > 2.671 )
     6.0 0.1 0.1 peak 1216 volume 9.780e+02 ppm1 4.383 ppm2 2.686
ASSI ( attr store1 < 4.477 and attr store1 > 4.437 )
     ( attr store1 < 2.712 and attr store1 > 2.682 )
     6.0 0.1 0.1 peak 1217 volume 1.250e+03 ppm1 4.457 ppm2 2.697
ASSI ( attr store1 < 3.992 and attr store1 > 3.952 )
     ( attr store1 < 0.958 and attr store1 > 0.928 )
     6.0 0.1 0.1 peak 1219 volume 1.036e+03 ppm1 3.972 ppm2 0.943
ASSI ( attr store1 < 3.99 and attr store1 > 3.95 )
     ( attr store1 < 0.908 and attr store1 > 0.878 )
     6.0 0.1 0.1 peak 1220 volume 1.037e+03 ppm1 3.970 ppm2 0.893
ASSI ( attr store1 < 4.468 and attr store1 > 4.428 )
     ( attr store1 < 0.906 and attr store1 > 0.876 )
     6.0 0.1 0.1 peak 1221 volume 2.109e+03 ppm1 4.448 ppm2 0.891
ASSI ( attr store1 < 3.004 and attr store1 > 2.964 )
     ( attr store1 < 1.665 and attr store1 > 1.635 )
     6.0 0.1 0.1 peak 1222 volume 2.985e+03 ppm1 2.984 ppm2 1.650
ASSI ( resid 29 and name HB2 )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1223 volume 6.960e+02 ppm1 3.958 ppm2 8.104
ASSI ( resid 3 and name HA )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 1224 volume 0.000e+00 ppm1 4.525 ppm2 8.710
ASSI ( resid 3 and name HG2 )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 1225 volume 0.000e+00 ppm1 2.635 ppm2 8.710
ASSI ( resid 3 and name HG3 )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 1226 volume 0.000e+00 ppm1 2.564 ppm2 8.710
ASSI ( resid 3 and name HB2 )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 1227 volume 0.000e+00 ppm1 2.082 ppm2 8.710
ASSI ( resid 3 and name HB3 )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 1228 volume 0.000e+00 ppm1 1.990 ppm2 8.710
ASSI ( attr store1 < 4.698 and attr store1 > 4.658 )
     ( attr store1 < 2.704 and attr store1 > 2.674 )
     6.0 0.1 0.1 peak 1229 volume 4.907e+03 ppm1 4.678 ppm2 2.689
ASSI ( resid 42 and name HA )
     ( resid 42 and name HB2 )
     6.0 0.1 0.1 peak 1232 volume 0.000e+00 ppm1 4.377 ppm2 3.864
ASSI ( resid 42 and name HB2 )
     ( resid 42 and name HN )
     6.0 0.1 0.1 peak 1233 volume 0.000e+00 ppm1 3.863 ppm2 8.374
ASSI ( resid 42 and name HB3 )
     ( resid 42 and name HN )
     6.0 0.1 0.1 peak 1234 volume 0.000e+00 ppm1 3.828 ppm2 8.374
ASSI ( resid 13 and name HD2 )
     ( resid 13 and name HB3 )
     6.0 0.1 0.1 peak 1236 volume 0.000e+00 ppm1 4.275 ppm2 2.173
ASSI ( resid 13 and name HD3 )
     ( resid 13 and name HB3 )
     6.0 0.1 0.1 peak 1237 volume 0.000e+00 ppm1 3.988 ppm2 2.173
ASSI ( resid 13 and name HA )
     ( resid 13 and name HB3 )
     6.0 0.1 0.1 peak 1238 volume 0.000e+00 ppm1 4.677 ppm2 2.172
ASSI ( resid 13 and name HB3 )
     ( resid 13 and name hg# )
     6.0 0.1 0.1 peak 1239 volume 4.004e+03 ppm1 2.175 ppm2 1.932
ASSI ( resid 13 and name HB2 )
     ( resid 13 and name HB3 )
     6.0 0.1 0.1 peak 1240 volume 0.000e+00 ppm1 2.251 ppm2 2.172
ASSI ( resid 6 and name HA )
     ( resid 6 and name HB2 )
     6.0 0.1 0.1 peak 1241 volume 0.000e+00 ppm1 4.678 ppm2 3.171
ASSI ( resid 6 and name HA )
     ( resid 6 and name HB3 )
     6.0 0.1 0.1 peak 1242 volume 0.000e+00 ppm1 4.678 ppm2 3.143
ASSI ( resid 38 and name HB2 )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 1243 volume 3.343e+03 ppm1 1.737 ppm2 8.428
ASSI ( resid 15 and name HD3 )
     ( resid 16 and name HN )
     6.0 0.1 0.1 peak 1245 volume 0.000e+00 ppm1 3.645 ppm2 9.071
ASSI ( resid 15 and name HD3 )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 1246 volume 0.000e+00 ppm1 3.643 ppm2 2.314
ASSI ( resid 15 and name HD3 )
     ( resid 15 and name HG2 )
     6.0 0.1 0.1 peak 1247 volume 0.000e+00 ppm1 3.641 ppm2 2.180
ASSI ( resid 15 and name HD3 )
     ( resid 15 and name HG3 )
     6.0 0.1 0.1 peak 1248 volume 0.000e+00 ppm1 3.644 ppm2 2.000
ASSI ( resid 15 and name HD3 )
     ( resid 15 and name HB3 )
     6.0 0.1 0.1 peak 1249 volume 0.000e+00 ppm1 3.644 ppm2 1.899
ASSI ( attr store1 < 4.265 and attr store1 > 4.225 )
     ( attr store1 < 9.086 and attr store1 > 9.056 )
     6.0 0.1 0.1 peak 1250 volume 0.000e+00 ppm1 4.245 ppm2 9.071
ASSI ( resid 13 and name HB3 )
     ( resid 33 and name hd2# )
     6.0 0.1 0.1 peak 1251 volume 0.000e+00 ppm1 2.177 ppm2 0.935
ASSI ( resid 36 and name HB3 )
     ( resid 33 and name hd2# )
     6.0 0.1 0.1 peak 1252 volume 5.270e+02 ppm1 2.958 ppm2 0.922
ASSI ( resid 36 and name HB2 )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 1253 volume 0.000e+00 ppm1 3.154 ppm2 0.954
ASSI ( resid 36 and name HB2 )
     ( resid 33 and name hd2# )
     6.0 0.1 0.1 peak 1255 volume 0.000e+00 ppm1 3.154 ppm2 0.922
ASSI ( resid 33 and name HA )
     ( resid 33 and name hd2# )
     6.0 0.1 0.1 peak 1258 volume 2.351e+03 ppm1 4.271 ppm2 0.924
ASSI ( resid 15 and name HA )
     ( resid 15 and name HD3 )
     6.0 0.1 0.1 peak 1259 volume 0.000e+00 ppm1 4.238 ppm2 3.650
ASSI ( resid 11 and name he# )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 1260 volume 8.700e+01 ppm1 2.960 ppm2 8.723
ASSI ( resid 11 and name he# )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 1261 volume 0.000e+00 ppm1 2.949 ppm2 7.950
ASSI ( resid 11 and name HA )
     ( resid 11 and name he# )
     6.0 0.1 0.1 peak 1262 volume 0.000e+00 ppm1 4.460 ppm2 2.952
ASSI ( resid 11 and name he# )
     ( resid 11 and name hb# )
     6.0 0.1 0.1 peak 1263 volume 0.000e+00 ppm1 2.958 ppm2 1.708
ASSI ( resid 36 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 1264 volume 0.000e+00 ppm1 7.470 ppm2 8.014


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1   1.017  12.062   1.316
    2    H2   GLY   1           H2       GLY   1   0.071  10.754   0.800
    3    H3   GLY   1           H3       GLY   1   1.740  10.558   1.018
    4    HA2  GLY   1           HA3      GLY   1  -0.331  10.962   3.099
    5    HA3  GLY   1           HA2      GLY   1   0.719   9.567   2.884
    6    H    SER   2           H        SER   2   1.002  10.185   5.272
    7    HA   SER   2           HA       SER   2   2.887  12.373   5.674
    8    HB2  SER   2           HB2      SER   2   2.622  10.889   8.053
    9    HB3  SER   2           HB3      SER   2   1.868  12.435   7.672
   10    HG   SER   2           HG       SER   2   0.174  11.122   6.623
   11    H    MET   3           H        MET   3   2.733   8.866   5.771
   12    HA   MET   3           HA       MET   3   5.677   8.800   5.811
   13    HB2  MET   3           HB2      MET   3   4.741   7.985   7.952
   14    HB3  MET   3           HB3      MET   3   3.802   6.786   7.073
   15    HG2  MET   3           HG2      MET   3   6.404   6.381   6.215
   16    HG3  MET   3           HG3      MET   3   6.558   6.718   7.937
   17    HE1  MET   3           HE1      MET   3   6.280   2.795   6.444
   18    HE2  MET   3           HE2      MET   3   7.007   4.295   5.868
   19    HE3  MET   3           HE3      MET   3   7.480   3.627   7.430
   20    H    ALA   4           H        ALA   4   6.040   8.520   3.672
   21    HA   ALA   4           HA       ALA   4   4.474   6.554   2.188
   22    HB1  ALA   4           HB1      ALA   4   5.845   8.986   1.531
   23    HB2  ALA   4           HB2      ALA   4   6.436   7.669   0.516
   24    HB3  ALA   4           HB3      ALA   4   4.713   8.044   0.559
   25    H    ALA   5           H        ALA   5   6.868   6.261   0.332
   26    HA   ALA   5           HA       ALA   5   8.410   4.356   1.968
   27    HB1  ALA   5           HB1      ALA   5   6.663   3.363   0.356
   28    HB2  ALA   5           HB2      ALA   5   7.782   3.844  -0.919
   29    HB3  ALA   5           HB3      ALA   5   8.299   2.706   0.324
   30    H    HIS   6           H        HIS   6  10.313   3.554   0.324
   31    HA   HIS   6           HA       HIS   6  12.049   5.778   0.053
   32    HB2  HIS   6           HB2      HIS   6  12.798   3.426   0.436
   33    HB3  HIS   6           HB3      HIS   6  12.319   3.042  -1.213
   34    HD1  HIS   6           HD1      HIS   6  14.156   6.205  -0.292
   35    HD2  HIS   6           HD2      HIS   6  14.868   2.545  -2.138
   36    HE1  HIS   6           HE1      HIS   6  16.441   6.399  -1.329
   37    HE2  HIS   6           HE2      HIS   6  16.924   4.112  -2.276
   38    H    SER   7           H        SER   7   9.806   4.223  -2.077
   39    HA   SER   7           HA       SER   7  10.770   5.585  -4.444
   40    HB2  SER   7           HB2      SER   7   8.112   4.311  -4.518
   41    HB3  SER   7           HB3      SER   7   9.492   4.111  -5.602
   42    HG   SER   7           HG       SER   7   9.340   2.198  -4.554
   43    H    ALA   8           H        ALA   8   9.972   7.210  -2.207
   44    HA   ALA   8           HA       ALA   8   8.854   9.118  -1.733
   45    HB1  ALA   8           HB1      ALA   8   9.636   9.453  -4.202
   46    HB2  ALA   8           HB2      ALA   8   7.911   9.351  -4.553
   47    HB3  ALA   8           HB3      ALA   8   8.517  10.594  -3.458
   48    H    ASP   9           H        ASP   9   6.510  10.208  -2.902
   49    HA   ASP   9           HA       ASP   9   4.509   8.394  -1.770
   50    HB2  ASP   9           HB2      ASP   9   4.806  11.015  -1.328
   51    HB3  ASP   9           HB3      ASP   9   3.811  11.126  -2.776
   52    H    LEU  10           H        LEU  10   5.675   7.690  -4.191
   53    HA   LEU  10           HA       LEU  10   3.612   8.198  -6.209
   54    HB2  LEU  10           HB2      LEU  10   6.011   6.414  -6.558
   55    HB3  LEU  10           HB3      LEU  10   5.055   7.205  -7.797
   56    HG   LEU  10           HG       LEU  10   6.827   8.680  -5.850
   57   HD11  LEU  10          HD11      LEU  10   8.590   8.476  -7.226
   58   HD12  LEU  10          HD12      LEU  10   7.761   7.010  -7.752
   59   HD13  LEU  10          HD13      LEU  10   7.593   8.500  -8.681
   60   HD21  LEU  10          HD21      LEU  10   6.555  10.278  -7.998
   61   HD22  LEU  10          HD22      LEU  10   4.990   9.461  -8.020
   62   HD23  LEU  10          HD23      LEU  10   5.501  10.351  -6.584
   63    H    LYS  11           H        LYS  11   4.815   5.908  -3.968
   64    HA   LYS  11           HA       LYS  11   2.419   4.373  -4.292
   65    HB2  LYS  11           HB2      LYS  11   3.545   2.200  -4.209
   66    HB3  LYS  11           HB3      LYS  11   3.988   3.083  -5.660
   67    HG2  LYS  11           HG2      LYS  11   6.108   2.692  -5.165
   68    HG3  LYS  11           HG3      LYS  11   5.929   3.765  -3.777
   69    HD2  LYS  11           HD2      LYS  11   6.795   1.310  -3.458
   70    HD3  LYS  11           HD3      LYS  11   5.688   2.031  -2.291
   71    HE2  LYS  11           HE2      LYS  11   4.073   0.863  -4.268
   72    HE3  LYS  11           HE3      LYS  11   5.342  -0.310  -3.925
   73    HZ1  LYS  11           HZ1      LYS  11   3.102   0.449  -2.322
   74    HZ2  LYS  11           HZ2      LYS  11   4.551   0.618  -1.468
   75    HZ3  LYS  11           HZ3      LYS  11   4.145  -0.878  -2.156
   76    H    CYS  12           H        CYS  12   2.657   2.583  -2.434
   77    HA   CYS  12           HA       CYS  12   2.795   4.193  -0.057
   78    HB2  CYS  12           HB2      CYS  12   1.621   2.104   0.869
   79    HB3  CYS  12           HB3      CYS  12   0.779   3.041  -0.358
   80    HA   PRO  13           HA       PRO  13   6.272   2.550   2.070
   81    HB2  PRO  13           HB2      PRO  13   4.489   1.430   4.172
   82    HB3  PRO  13           HB3      PRO  13   5.852   2.539   4.332
   83    HG2  PRO  13           HG2      PRO  13   3.366   3.427   4.551
   84    HG3  PRO  13           HG3      PRO  13   4.601   4.383   3.709
   85    HD2  PRO  13           HD2      PRO  13   2.381   2.736   2.580
   86    HD3  PRO  13           HD3      PRO  13   3.035   4.288   2.020
   87    H    THR  14           H        THR  14   3.569   0.223   2.259
   88    HA   THR  14           HA       THR  14   5.094  -2.041   2.792
   89    HB   THR  14           HB       THR  14   2.570  -2.181   1.171
   90    HG1  THR  14           HG1      THR  14   1.510  -1.227   2.734
   91   HG21  THR  14          HG21      THR  14   4.154  -3.983   2.833
   92   HG22  THR  14          HG22      THR  14   2.928  -4.350   1.619
   93   HG23  THR  14          HG23      THR  14   2.445  -3.964   3.271
   94    HA   PRO  15           HA       PRO  15   7.211  -2.445  -1.130
   95    HB2  PRO  15           HB2      PRO  15   8.221  -4.930   0.106
   96    HB3  PRO  15           HB3      PRO  15   9.116  -3.538  -0.510
   97    HG2  PRO  15           HG2      PRO  15   8.930  -3.975   2.102
   98    HG3  PRO  15           HG3      PRO  15   8.843  -2.328   1.447
   99    HD2  PRO  15           HD2      PRO  15   6.609  -4.128   2.338
  100    HD3  PRO  15           HD3      PRO  15   6.868  -2.404   2.693
  101    H    GLY  16           H        GLY  16   5.453  -5.084   0.440
  102    HA2  GLY  16           HA2      GLY  16   5.317  -6.671  -1.943
  103    HA3  GLY  16           HA3      GLY  16   4.455  -6.971  -0.442
  104    H    CYS  17           H        CYS  17   3.474  -4.127  -0.575
  105    HA   CYS  17           HA       CYS  17   1.185  -4.623  -2.303
  106    HB2  CYS  17           HB2      CYS  17   0.806  -3.875   0.008
  107    HB3  CYS  17           HB3      CYS  17   1.739  -2.421  -0.306
  108    H    ASP  18           H        ASP  18   0.450  -2.787  -3.679
  109    HA   ASP  18           HA       ASP  18   2.804  -1.588  -4.963
  110    HB2  ASP  18           HB2      ASP  18   1.883  -1.960  -7.037
  111    HB3  ASP  18           HB3      ASP  18   1.196  -3.315  -6.149
  112    H    GLY  19           H        GLY  19  -0.485  -0.913  -3.876
  113    HA2  GLY  19           HA2      GLY  19  -0.641   1.377  -2.866
  114    HA3  GLY  19           HA3      GLY  19   0.067   1.946  -4.370
  115    H    SER  20           H        SER  20  -1.723  -0.320  -5.617
  116    HA   SER  20           HA       SER  20  -4.019   1.455  -5.964
  117    HB2  SER  20           HB2      SER  20  -3.608  -1.140  -7.431
  118    HB3  SER  20           HB3      SER  20  -4.488   0.298  -7.952
  119    HG   SER  20           HG       SER  20  -1.700  -0.172  -7.867
  120    H    GLY  21           H        GLY  21  -6.073   0.934  -5.353
  121    HA2  GLY  21           HA2      GLY  21  -7.792  -0.490  -4.576
  122    HA3  GLY  21           HA3      GLY  21  -6.582  -1.703  -4.192
  123    H    HIS  22           H        HIS  22  -8.005  -1.713  -2.236
  124    HA   HIS  22           HA       HIS  22  -6.627  -0.394  -0.084
  125    HB2  HIS  22           HB2      HIS  22  -9.363   0.465  -0.886
  126    HB3  HIS  22           HB3      HIS  22  -9.106   0.184   0.828
  127    HD1  HIS  22           HD1      HIS  22  -7.964   1.960   2.138
  128    HD2  HIS  22           HD2      HIS  22  -7.794   2.649  -1.959
  129    HE1  HIS  22           HE1      HIS  22  -7.162   4.323   1.884
  130    HE2  HIS  22           HE2      HIS  22  -7.268   4.783  -0.588
  131    H    ILE  23           H        ILE  23  -7.126  -1.411   1.963
  132    HA   ILE  23           HA       ILE  23  -7.917  -4.148   1.795
  133    HB   ILE  23           HB       ILE  23  -6.587  -2.636   3.683
  134   HG12  ILE  23          HG12      ILE  23  -6.287  -5.027   3.223
  135   HG13  ILE  23          HG13      ILE  23  -6.413  -4.718   4.951
  136   HG21  ILE  23          HG21      ILE  23  -9.084  -2.118   4.443
  137   HG22  ILE  23          HG22      ILE  23  -8.849  -3.640   5.302
  138   HG23  ILE  23          HG23      ILE  23  -7.754  -2.288   5.588
  139   HD11  ILE  23          HD11      ILE  23  -8.912  -5.407   3.535
  140   HD12  ILE  23          HD12      ILE  23  -7.712  -6.688   3.726
  141   HD13  ILE  23          HD13      ILE  23  -8.352  -5.861   5.147
  142    H    THR  24           H        THR  24  -9.434  -1.154   2.282
  143    HA   THR  24           HA       THR  24 -11.938  -1.903   3.306
  144    HB   THR  24           HB       THR  24 -11.632   0.334   1.362
  145    HG1  THR  24           HG1      THR  24 -10.678   0.683   3.999
  146   HG21  THR  24          HG21      THR  24 -13.401   1.127   2.419
  147   HG22  THR  24          HG22      THR  24 -12.672   0.868   4.004
  148   HG23  THR  24          HG23      THR  24 -13.512  -0.452   3.191
  149    H    GLY  25           H        GLY  25 -11.040  -0.992   0.001
  150    HA2  GLY  25           HA2      GLY  25 -11.756  -2.011  -2.021
  151    HA3  GLY  25           HA3      GLY  25 -12.950  -2.924  -1.102
  152    H    ASN  26           H        ASN  26 -12.214   0.524  -1.121
  153    HA   ASN  26           HA       ASN  26 -14.894   1.112  -2.159
  154    HB2  ASN  26           HB2      ASN  26 -13.836   1.697   0.554
  155    HB3  ASN  26           HB3      ASN  26 -14.753   2.975  -0.216
  156   HD21  ASN  26          HD21      ASN  26 -14.862  -0.283   0.970
  157   HD22  ASN  26          HD22      ASN  26 -16.576  -0.373   1.085
  158    H    TYR  27           H        TYR  27 -11.743   1.532  -2.597
  159    HA   TYR  27           HA       TYR  27 -12.080   4.223  -3.716
  160    HB2  TYR  27           HB2      TYR  27  -9.583   3.410  -2.212
  161    HB3  TYR  27           HB3      TYR  27  -9.971   4.995  -2.863
  162    HD1  TYR  27           HD1      TYR  27 -10.717   2.589  -0.175
  163    HD2  TYR  27           HD2      TYR  27 -11.384   6.517  -1.665
  164    HE1  TYR  27           HE1      TYR  27 -11.688   3.236   1.982
  165    HE2  TYR  27           HE2      TYR  27 -12.356   7.176   0.498
  166    HH   TYR  27           HH       TYR  27 -12.675   6.573   2.637
  167    H    ALA  28           H        ALA  28  -9.807   4.677  -4.941
  168    HA   ALA  28           HA       ALA  28  -9.567   2.420  -6.798
  169    HB1  ALA  28           HB1      ALA  28  -8.926   5.345  -7.069
  170    HB2  ALA  28           HB2      ALA  28  -8.464   4.142  -8.274
  171    HB3  ALA  28           HB3      ALA  28 -10.168   4.418  -7.911
  172    H    SER  29           H        SER  29  -7.594   4.591  -4.796
  173    HA   SER  29           HA       SER  29  -5.512   2.611  -4.660
  174    HB2  SER  29           HB2      SER  29  -4.004   4.832  -5.464
  175    HB3  SER  29           HB3      SER  29  -4.256   3.340  -6.365
  176    HG   SER  29           HG       SER  29  -6.147   5.447  -6.472
  177    H    HIS  30           H        HIS  30  -3.529   3.596  -3.493
  178    HA   HIS  30           HA       HIS  30  -4.174   5.731  -1.622
  179    HB2  HIS  30           HB2      HIS  30  -3.571   4.333   0.325
  180    HB3  HIS  30           HB3      HIS  30  -5.011   3.722  -0.476
  181    HD1  HIS  30           HD1      HIS  30  -4.764   1.418  -1.756
  182    HD2  HIS  30           HD2      HIS  30  -1.364   2.688   0.276
  183    HE1  HIS  30           HE1      HIS  30  -3.154  -0.547  -1.725
  184    H    ARG  31           H        ARG  31  -2.089   5.916  -0.080
  185    HA   ARG  31           HA       ARG  31   0.342   5.203  -1.529
  186    HB2  ARG  31           HB2      ARG  31  -0.049   8.044  -0.604
  187    HB3  ARG  31           HB3      ARG  31   1.219   7.401  -1.636
  188    HG2  ARG  31           HG2      ARG  31  -1.314   6.930  -2.866
  189    HG3  ARG  31           HG3      ARG  31  -1.198   8.627  -2.397
  190    HD2  ARG  31           HD2      ARG  31   0.035   8.982  -4.209
  191    HD3  ARG  31           HD3      ARG  31   1.291   7.977  -3.490
  192    HE   ARG  31           HE       ARG  31   0.800   6.351  -5.003
  193   HH11  ARG  31          HH12      ARG  31  -1.936   8.539  -4.839
  194   HH12  ARG  31          HH11      ARG  31  -2.774   7.787  -6.162
  195   HH21  ARG  31          HH22      ARG  31  -0.305   5.363  -6.744
  196   HH22  ARG  31          HH21      ARG  31  -1.847   5.998  -7.254
  197    H    SER  32           H        SER  32  -1.047   4.583   1.084
  198    HA   SER  32           HA       SER  32   1.326   4.807   2.724
  199    HB2  SER  32           HB2      SER  32  -1.343   5.722   3.790
  200    HB3  SER  32           HB3      SER  32   0.211   5.782   4.604
  201    HG   SER  32           HG       SER  32   0.473   7.069   2.304
  202    H    LEU  33           H        LEU  33   0.905   3.592   4.879
  203    HA   LEU  33           HA       LEU  33   0.016   0.974   4.191
  204    HB2  LEU  33           HB2      LEU  33   1.403   2.291   6.400
  205    HB3  LEU  33           HB3      LEU  33   0.373   0.971   6.918
  206    HG   LEU  33           HG       LEU  33   2.141   0.387   4.630
  207   HD11  LEU  33          HD11      LEU  33   4.145   0.366   5.760
  208   HD12  LEU  33          HD12      LEU  33   3.406   1.849   6.368
  209   HD13  LEU  33          HD13      LEU  33   3.374   0.381   7.347
  210   HD21  LEU  33          HD21      LEU  33   1.257  -1.011   7.142
  211   HD22  LEU  33          HD22      LEU  33   0.814  -1.377   5.475
  212   HD23  LEU  33          HD23      LEU  33   2.455  -1.685   6.039
  213    H    SER  34           H        SER  34  -1.706   3.629   5.111
  214    HA   SER  34           HA       SER  34  -3.552   2.387   6.923
  215    HB2  SER  34           HB2      SER  34  -4.701   4.701   5.765
  216    HB3  SER  34           HB3      SER  34  -3.940   4.555   7.351
  217    HG   SER  34           HG       SER  34  -2.202   5.521   6.619
  218    H    GLY  35           H        GLY  35  -3.144   2.628   3.526
  219    HA2  GLY  35           HA2      GLY  35  -5.914   1.719   3.097
  220    HA3  GLY  35           HA3      GLY  35  -4.952   2.582   1.908
  221    H    CYS  36           H        CYS  36  -2.750   0.594   3.123
  222    HA   CYS  36           HA       CYS  36  -2.596  -1.049   0.893
  223    HB2  CYS  36           HB2      CYS  36  -1.413  -1.266   3.654
  224    HB3  CYS  36           HB3      CYS  36  -1.070  -2.460   2.403
  225    HA   PRO  37           HA       PRO  37  -5.710  -4.084   2.106
  226    HB2  PRO  37           HB2      PRO  37  -5.978  -5.207  -0.316
  227    HB3  PRO  37           HB3      PRO  37  -6.708  -3.637   0.064
  228    HG2  PRO  37           HG2      PRO  37  -4.187  -4.246  -1.446
  229    HG3  PRO  37           HG3      PRO  37  -5.441  -3.038  -1.795
  230    HD2  PRO  37           HD2      PRO  37  -3.052  -2.468  -0.543
  231    HD3  PRO  37           HD3      PRO  37  -4.533  -1.512  -0.361
  232    H    ARG  38           H        ARG  38  -2.526  -4.268   0.996
  233    HA   ARG  38           HA       ARG  38  -2.354  -7.111   1.735
  234    HB2  ARG  38           HB2      ARG  38  -0.567  -5.542  -0.131
  235    HB3  ARG  38           HB3      ARG  38  -0.283  -7.200   0.377
  236    HG2  ARG  38           HG2      ARG  38  -1.683  -8.006  -1.147
  237    HG3  ARG  38           HG3      ARG  38  -2.932  -6.825  -0.740
  238    HD2  ARG  38           HD2      ARG  38  -0.938  -5.358  -2.007
  239    HD3  ARG  38           HD3      ARG  38  -1.063  -6.850  -2.936
  240    HE   ARG  38           HE       ARG  38  -3.648  -6.087  -2.620
  241   HH11  ARG  38          HH12      ARG  38  -0.774  -4.477  -3.772
  242   HH12  ARG  38          HH11      ARG  38  -1.614  -3.455  -4.903
  243   HH21  ARG  38          HH22      ARG  38  -4.787  -4.762  -4.130
  244   HH22  ARG  38          HH21      ARG  38  -3.899  -3.626  -5.105
  245    H    ALA  39           H        ALA  39  -2.224  -4.504   3.299
  246    HA   ALA  39           HA       ALA  39   0.358  -3.888   4.108
  247    HB1  ALA  39           HB1      ALA  39  -1.364  -2.455   4.827
  248    HB2  ALA  39           HB2      ALA  39  -2.240  -3.771   5.609
  249    HB3  ALA  39           HB3      ALA  39  -0.717  -3.201   6.287
  250    H    LYS  40           H        LYS  40   1.750  -5.440   4.533
  251    HA   LYS  40           HA       LYS  40   2.759  -7.286   5.378
  252    HB2  LYS  40           HB2      LYS  40   1.303  -6.177   7.760
  253    HB3  LYS  40           HB3      LYS  40   2.278  -7.632   7.900
  254    HG2  LYS  40           HG2      LYS  40   3.787  -6.023   8.514
  255    HG3  LYS  40           HG3      LYS  40   4.125  -6.156   6.788
  256    HD2  LYS  40           HD2      LYS  40   3.820  -3.946   6.687
  257    HD3  LYS  40           HD3      LYS  40   2.102  -4.271   6.922
  258    HE2  LYS  40           HE2      LYS  40   3.580  -4.283   9.420
  259    HE3  LYS  40           HE3      LYS  40   3.731  -2.751   8.563
  260    HZ1  LYS  40           HZ1      LYS  40   1.045  -3.638   8.505
  261    HZ2  LYS  40           HZ2      LYS  40   1.685  -2.208   9.162
  262    HZ3  LYS  40           HZ3      LYS  40   1.601  -3.616  10.105
  263    H    LYS  41           H        LYS  41   0.368  -7.757   3.959
  264    HA   LYS  41           HA       LYS  41  -1.099  -9.803   5.423
  265    HB2  LYS  41           HB2      LYS  41  -1.736  -7.974   3.388
  266    HB3  LYS  41           HB3      LYS  41  -1.816  -9.560   2.635
  267    HG2  LYS  41           HG2      LYS  41  -3.120  -9.741   5.137
  268    HG3  LYS  41           HG3      LYS  41  -3.710  -8.289   4.320
  269    HD2  LYS  41           HD2      LYS  41  -3.761  -9.990   2.258
  270    HD3  LYS  41           HD3      LYS  41  -3.991 -11.142   3.576
  271    HE2  LYS  41           HE2      LYS  41  -6.161 -10.607   3.325
  272    HE3  LYS  41           HE3      LYS  41  -5.728  -9.210   4.307
  273    HZ1  LYS  41           HZ1      LYS  41  -6.991  -8.620   2.303
  274    HZ2  LYS  41           HZ2      LYS  41  -5.751  -9.247   1.334
  275    HZ3  LYS  41           HZ3      LYS  41  -5.457  -7.902   2.321
  276    H    SER  42           H        SER  42   0.917 -11.095   5.542
  277    HA   SER  42           HA       SER  42   2.061 -12.973   5.023
  278    HB2  SER  42           HB2      SER  42   0.290 -13.253   2.588
  279    HB3  SER  42           HB3      SER  42   1.225 -14.522   3.385
  280    HG   SER  42           HG       SER  42  -0.253 -13.528   5.276
  281    H    GLY  43           H        GLY  43   1.306 -11.521   1.843
  282    HA2  GLY  43           HA2      GLY  43   4.111 -11.711   1.066
  283    HA3  GLY  43           HA3      GLY  43   2.784 -11.140   0.064
  284    H    LEU  44           H        LEU  44   4.569 -10.266   3.000
  285    HA   LEU  44           HA       LEU  44   3.874  -7.489   2.727
  286    HB2  LEU  44           HB2      LEU  44   5.791  -7.449   4.612
  287    HB3  LEU  44           HB3      LEU  44   4.109  -7.818   4.936
  288    HG   LEU  44           HG       LEU  44   5.214 -10.289   4.299
  289   HD11  LEU  44          HD11      LEU  44   7.436  -9.023   4.538
  290   HD12  LEU  44          HD12      LEU  44   7.071  -9.005   6.264
  291   HD13  LEU  44          HD13      LEU  44   7.236 -10.541   5.415
  292   HD21  LEU  44          HD21      LEU  44   4.062  -8.915   6.571
  293   HD22  LEU  44          HD22      LEU  44   3.896 -10.596   6.064
  294   HD23  LEU  44          HD23      LEU  44   5.263 -10.110   7.064
  295    H    ARG  45           H        ARG  45   6.673  -9.482   2.016
  296    HA   ARG  45           HA       ARG  45   7.819  -7.231   0.549
  297    HB2  ARG  45           HB2      ARG  45   8.778  -7.561   2.978
  298    HB3  ARG  45           HB3      ARG  45   9.673  -8.874   2.226
  299    HG2  ARG  45           HG2      ARG  45  10.755  -7.387   0.724
  300    HG3  ARG  45           HG3      ARG  45   9.705  -6.049   1.197
  301    HD2  ARG  45           HD2      ARG  45  11.080  -7.245   3.461
  302    HD3  ARG  45           HD3      ARG  45  12.200  -6.640   2.241
  303    HE   ARG  45           HE       ARG  45  10.339  -5.072   3.858
  304   HH11  ARG  45          HH12      ARG  45  12.663  -5.155   1.232
  305   HH12  ARG  45          HH11      ARG  45  12.943  -3.438   1.264
  306   HH21  ARG  45          HH22      ARG  45  10.687  -2.821   3.889
  307   HH22  ARG  45          HH21      ARG  45  11.811  -2.106   2.769
  308    H    VAL  46           H        VAL  46   7.932  -7.981  -1.446
  309    HA   VAL  46           HA       VAL  46   9.074 -10.657  -1.875
  310    HB   VAL  46           HB       VAL  46   6.970  -9.437  -3.670
  311   HG11  VAL  46          HG11      VAL  46   6.800 -11.984  -4.233
  312   HG12  VAL  46          HG12      VAL  46   8.076 -10.998  -4.945
  313   HG13  VAL  46          HG13      VAL  46   8.431 -12.037  -3.565
  314   HG21  VAL  46          HG21      VAL  46   5.831 -11.640  -2.424
  315   HG22  VAL  46          HG22      VAL  46   6.635 -10.769  -1.118
  316   HG23  VAL  46          HG23      VAL  46   5.445  -9.945  -2.127
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1   5.125  13.602  -6.271
    2    H2   GLY   1           H2       GLY   1   3.738  14.570  -6.166
    3    H3   GLY   1           H3       GLY   1   4.259  13.996  -7.675
    4    HA2  GLY   1           HA3      GLY   1   2.310  12.854  -6.345
    5    HA3  GLY   1           HA2      GLY   1   3.400  11.952  -7.388
    6    H    SER   2           H        SER   2   5.682  11.833  -5.884
    7    HA   SER   2           HA       SER   2   5.173   9.711  -4.148
    8    HB2  SER   2           HB2      SER   2   7.643  11.285  -3.697
    9    HB3  SER   2           HB3      SER   2   7.443   9.558  -4.002
   10    HG   SER   2           HG       SER   2   7.377   9.921  -6.155
   11    H    MET   3           H        MET   3   4.787   9.558  -1.999
   12    HA   MET   3           HA       MET   3   4.021  11.985  -0.628
   13    HB2  MET   3           HB2      MET   3   2.614   9.990  -0.455
   14    HB3  MET   3           HB3      MET   3   3.947   9.092   0.256
   15    HG2  MET   3           HG2      MET   3   3.649   9.983   2.292
   16    HG3  MET   3           HG3      MET   3   3.218  11.571   1.653
   17    HE1  MET   3           HE1      MET   3   2.421   9.323   3.811
   18    HE2  MET   3           HE2      MET   3   0.697   9.567   4.101
   19    HE3  MET   3           HE3      MET   3   1.250   8.169   3.179
   20    H    ALA   4           H        ALA   4   6.337   9.349  -0.106
   21    HA   ALA   4           HA       ALA   4   7.673  10.887   1.984
   22    HB1  ALA   4           HB1      ALA   4   7.610   8.662   2.608
   23    HB2  ALA   4           HB2      ALA   4   7.909   8.085   0.967
   24    HB3  ALA   4           HB3      ALA   4   9.222   8.798   1.903
   25    H    ALA   5           H        ALA   5  10.081  11.081   1.866
   26    HA   ALA   5           HA       ALA   5  10.740  12.345  -0.636
   27    HB1  ALA   5           HB1      ALA   5  12.027  13.626   0.632
   28    HB2  ALA   5           HB2      ALA   5  11.457  12.714   2.033
   29    HB3  ALA   5           HB3      ALA   5  12.942  12.234   1.212
   30    H    HIS   6           H        HIS   6  10.530   9.993  -1.567
   31    HA   HIS   6           HA       HIS   6  13.186   9.391  -2.392
   32    HB2  HIS   6           HB2      HIS   6  13.308   7.054  -1.870
   33    HB3  HIS   6           HB3      HIS   6  13.011   7.928  -0.377
   34    HD1  HIS   6           HD1      HIS   6  11.915   5.056  -2.215
   35    HD2  HIS   6           HD2      HIS   6  10.128   7.766   0.379
   36    HE1  HIS   6           HE1      HIS   6   9.833   3.920  -1.376
   37    HE2  HIS   6           HE2      HIS   6   8.658   5.670   0.005
   38    H    SER   7           H        SER   7  13.235   8.703  -4.442
   39    HA   SER   7           HA       SER   7  11.109   9.347  -6.022
   40    HB2  SER   7           HB2      SER   7  12.778   7.478  -7.427
   41    HB3  SER   7           HB3      SER   7  12.705   9.236  -7.573
   42    HG   SER   7           HG       SER   7  14.463   9.385  -6.434
   43    H    ALA   8           H        ALA   8  11.838   6.157  -4.732
   44    HA   ALA   8           HA       ALA   8  10.051   4.788  -6.504
   45    HB1  ALA   8           HB1      ALA   8  10.391   2.902  -4.803
   46    HB2  ALA   8           HB2      ALA   8  11.789   3.461  -5.722
   47    HB3  ALA   8           HB3      ALA   8  11.565   3.982  -4.051
   48    H    ASP   9           H        ASP   9   9.301   6.928  -4.183
   49    HA   ASP   9           HA       ASP   9   7.137   5.455  -2.924
   50    HB2  ASP   9           HB2      ASP   9   8.610   7.424  -1.928
   51    HB3  ASP   9           HB3      ASP   9   7.357   8.415  -2.672
   52    H    LEU  10           H        LEU  10   6.803   5.362  -5.586
   53    HA   LEU  10           HA       LEU  10   4.848   7.396  -6.357
   54    HB2  LEU  10           HB2      LEU  10   4.766   6.244  -8.495
   55    HB3  LEU  10           HB3      LEU  10   6.430   6.576  -8.052
   56    HG   LEU  10           HG       LEU  10   5.607   3.947  -7.149
   57   HD11  LEU  10          HD11      LEU  10   5.568   4.380 -10.129
   58   HD12  LEU  10          HD12      LEU  10   5.294   2.871  -9.255
   59   HD13  LEU  10          HD13      LEU  10   4.122   4.184  -9.141
   60   HD21  LEU  10          HD21      LEU  10   7.826   5.217  -8.656
   61   HD22  LEU  10          HD22      LEU  10   7.869   4.199  -7.216
   62   HD23  LEU  10          HD23      LEU  10   7.612   3.472  -8.803
   63    H    LYS  11           H        LYS  11   4.827   5.031  -4.320
   64    HA   LYS  11           HA       LYS  11   2.030   4.357  -4.691
   65    HB2  LYS  11           HB2      LYS  11   2.486   1.962  -4.273
   66    HB3  LYS  11           HB3      LYS  11   3.241   2.516  -5.754
   67    HG2  LYS  11           HG2      LYS  11   5.309   2.116  -5.012
   68    HG3  LYS  11           HG3      LYS  11   4.951   2.698  -3.386
   69    HD2  LYS  11           HD2      LYS  11   4.385   0.643  -2.633
   70    HD3  LYS  11           HD3      LYS  11   3.645   0.173  -4.165
   71    HE2  LYS  11           HE2      LYS  11   5.655  -0.503  -5.078
   72    HE3  LYS  11           HE3      LYS  11   6.604   0.502  -3.983
   73    HZ1  LYS  11           HZ1      LYS  11   5.358  -1.195  -2.298
   74    HZ2  LYS  11           HZ2      LYS  11   6.940  -1.394  -2.886
   75    HZ3  LYS  11           HZ3      LYS  11   5.646  -2.189  -3.641
   76    H    CYS  12           H        CYS  12   2.142   2.460  -2.491
   77    HA   CYS  12           HA       CYS  12   2.239   4.353  -0.321
   78    HB2  CYS  12           HB2      CYS  12   1.392   2.413   0.997
   79    HB3  CYS  12           HB3      CYS  12   0.399   2.792  -0.408
   80    HA   PRO  13           HA       PRO  13   6.126   3.317   1.551
   81    HB2  PRO  13           HB2      PRO  13   4.625   2.536   4.004
   82    HB3  PRO  13           HB3      PRO  13   5.917   3.710   3.809
   83    HG2  PRO  13           HG2      PRO  13   3.450   4.547   4.147
   84    HG3  PRO  13           HG3      PRO  13   4.493   5.338   2.943
   85    HD2  PRO  13           HD2      PRO  13   2.337   3.295   2.531
   86    HD3  PRO  13           HD3      PRO  13   2.671   4.776   1.609
   87    H    THR  14           H        THR  14   3.616   1.009   1.446
   88    HA   THR  14           HA       THR  14   5.049  -1.170   2.637
   89    HB   THR  14           HB       THR  14   2.560  -1.437   0.972
   90    HG1  THR  14           HG1      THR  14   1.461  -0.360   2.426
   91   HG21  THR  14          HG21      THR  14   2.121  -3.056   2.991
   92   HG22  THR  14          HG22      THR  14   3.875  -2.982   3.168
   93   HG23  THR  14          HG23      THR  14   3.164  -3.556   1.659
   94    HA   PRO  15           HA       PRO  15   7.196  -2.249  -1.126
   95    HB2  PRO  15           HB2      PRO  15   8.149  -4.535   0.467
   96    HB3  PRO  15           HB3      PRO  15   9.069  -3.234  -0.289
   97    HG2  PRO  15           HG2      PRO  15   8.793  -3.333   2.349
   98    HG3  PRO  15           HG3      PRO  15   8.737  -1.785   1.482
   99    HD2  PRO  15           HD2      PRO  15   6.450  -3.457   2.493
  100    HD3  PRO  15           HD3      PRO  15   6.722  -1.709   2.673
  101    H    GLY  16           H        GLY  16   5.432  -4.674   0.788
  102    HA2  GLY  16           HA2      GLY  16   5.366  -6.574  -1.358
  103    HA3  GLY  16           HA3      GLY  16   4.509  -6.700   0.169
  104    H    CYS  17           H        CYS  17   3.542  -3.863  -0.536
  105    HA   CYS  17           HA       CYS  17   1.237  -4.711  -2.123
  106    HB2  CYS  17           HB2      CYS  17   0.822  -3.866   0.125
  107    HB3  CYS  17           HB3      CYS  17   1.705  -2.398  -0.234
  108    H    ASP  18           H        ASP  18   0.492  -3.278  -3.836
  109    HA   ASP  18           HA       ASP  18   2.787  -2.047  -5.145
  110    HB2  ASP  18           HB2      ASP  18   1.865  -2.625  -7.157
  111    HB3  ASP  18           HB3      ASP  18   1.126  -3.854  -6.140
  112    H    GLY  19           H        GLY  19   0.113  -1.044  -3.418
  113    HA2  GLY  19           HA2      GLY  19  -0.170   1.246  -2.854
  114    HA3  GLY  19           HA3      GLY  19   0.508   1.685  -4.414
  115    H    SER  20           H        SER  20  -1.434  -0.540  -5.474
  116    HA   SER  20           HA       SER  20  -3.661   1.329  -5.816
  117    HB2  SER  20           HB2      SER  20  -3.463  -1.253  -7.317
  118    HB3  SER  20           HB3      SER  20  -4.114   0.299  -7.839
  119    HG   SER  20           HG       SER  20  -1.501  -0.654  -7.881
  120    H    GLY  21           H        GLY  21  -5.759   0.813  -5.328
  121    HA2  GLY  21           HA2      GLY  21  -7.526  -0.576  -4.609
  122    HA3  GLY  21           HA3      GLY  21  -6.348  -1.798  -4.145
  123    H    HIS  22           H        HIS  22  -7.962  -1.673  -2.274
  124    HA   HIS  22           HA       HIS  22  -6.580  -0.384  -0.097
  125    HB2  HIS  22           HB2      HIS  22  -9.221   0.615  -1.018
  126    HB3  HIS  22           HB3      HIS  22  -9.062   0.343   0.709
  127    HD1  HIS  22           HD1      HIS  22  -8.097   2.200   2.021
  128    HD2  HIS  22           HD2      HIS  22  -7.244   2.560  -2.028
  129    HE1  HIS  22           HE1      HIS  22  -7.044   4.459   1.754
  130    HE2  HIS  22           HE2      HIS  22  -6.771   4.754  -0.731
  131    H    ILE  23           H        ILE  23  -7.108  -1.356   1.920
  132    HA   ILE  23           HA       ILE  23  -8.111  -4.018   1.748
  133    HB   ILE  23           HB       ILE  23  -6.508  -2.676   3.531
  134   HG12  ILE  23          HG12      ILE  23  -6.738  -5.155   2.888
  135   HG13  ILE  23          HG13      ILE  23  -6.161  -4.772   4.505
  136   HG21  ILE  23          HG21      ILE  23  -9.228  -2.790   4.665
  137   HG22  ILE  23          HG22      ILE  23  -7.910  -3.310   5.716
  138   HG23  ILE  23          HG23      ILE  23  -7.891  -1.693   5.011
  139   HD11  ILE  23          HD11      ILE  23  -7.906  -6.630   4.205
  140   HD12  ILE  23          HD12      ILE  23  -8.131  -5.460   5.505
  141   HD13  ILE  23          HD13      ILE  23  -9.057  -5.309   4.012
  142    H    THR  24           H        THR  24  -9.484  -0.931   2.288
  143    HA   THR  24           HA       THR  24 -11.938  -1.888   3.465
  144    HB   THR  24           HB       THR  24 -10.939   0.399   3.908
  145    HG1  THR  24           HG1      THR  24 -12.900   0.812   4.553
  146   HG21  THR  24          HG21      THR  24 -12.337   1.513   1.574
  147   HG22  THR  24          HG22      THR  24 -10.844   0.651   1.208
  148   HG23  THR  24          HG23      THR  24 -10.822   2.006   2.335
  149    H    GLY  25           H        GLY  25 -10.672  -1.460   0.294
  150    HA2  GLY  25           HA2      GLY  25 -11.556  -1.969  -1.762
  151    HA3  GLY  25           HA3      GLY  25 -12.908  -2.695  -0.909
  152    H    ASN  26           H        ASN  26 -12.283   0.606  -0.228
  153    HA   ASN  26           HA       ASN  26 -14.699   1.320  -1.719
  154    HB2  ASN  26           HB2      ASN  26 -13.455   2.289   0.827
  155    HB3  ASN  26           HB3      ASN  26 -14.549   3.349  -0.058
  156   HD21  ASN  26          HD21      ASN  26 -14.294   0.910   2.206
  157   HD22  ASN  26          HD22      ASN  26 -15.950   0.435   2.261
  158    H    TYR  27           H        TYR  27 -11.475   1.602  -2.210
  159    HA   TYR  27           HA       TYR  27 -11.765   4.228  -3.508
  160    HB2  TYR  27           HB2      TYR  27  -9.439   3.216  -1.870
  161    HB3  TYR  27           HB3      TYR  27  -9.395   4.660  -2.860
  162    HD1  TYR  27           HD2      TYR  27 -10.847   3.139   0.162
  163    HD2  TYR  27           HD1      TYR  27 -10.425   6.702  -2.133
  164    HE1  TYR  27           HE2      TYR  27 -11.726   4.451   2.041
  165    HE2  TYR  27           HE1      TYR  27 -11.301   8.022  -0.253
  166    HH   TYR  27           HH       TYR  27 -12.340   7.918   1.750
  167    H    ALA  28           H        ALA  28  -9.428   4.505  -4.766
  168    HA   ALA  28           HA       ALA  28  -9.347   2.192  -6.585
  169    HB1  ALA  28           HB1      ALA  28  -8.952   3.612  -8.347
  170    HB2  ALA  28           HB2      ALA  28  -9.957   4.635  -7.320
  171    HB3  ALA  28           HB3      ALA  28  -8.206   4.845  -7.328
  172    H    SER  29           H        SER  29  -7.283   4.532  -4.887
  173    HA   SER  29           HA       SER  29  -5.192   2.546  -4.675
  174    HB2  SER  29           HB2      SER  29  -3.700   4.728  -5.543
  175    HB3  SER  29           HB3      SER  29  -4.022   3.259  -6.463
  176    HG   SER  29           HG       SER  29  -5.407   4.298  -7.683
  177    H    HIS  30           H        HIS  30  -3.224   3.613  -3.498
  178    HA   HIS  30           HA       HIS  30  -4.012   5.771  -1.700
  179    HB2  HIS  30           HB2      HIS  30  -3.375   4.412   0.293
  180    HB3  HIS  30           HB3      HIS  30  -4.828   3.835  -0.509
  181    HD1  HIS  30           HD1      HIS  30  -4.533   1.589  -1.965
  182    HD2  HIS  30           HD2      HIS  30  -1.347   2.617   0.504
  183    HE1  HIS  30           HE1      HIS  30  -3.035  -0.450  -1.834
  184    H    ARG  31           H        ARG  31  -2.124   6.223  -0.123
  185    HA   ARG  31           HA       ARG  31   0.474   5.706  -1.415
  186    HB2  ARG  31           HB2      ARG  31  -0.501   8.397  -0.428
  187    HB3  ARG  31           HB3      ARG  31   1.126   8.057  -0.993
  188    HG2  ARG  31           HG2      ARG  31  -1.236   7.581  -2.764
  189    HG3  ARG  31           HG3      ARG  31  -0.532   9.191  -2.591
  190    HD2  ARG  31           HD2      ARG  31   1.094   8.669  -4.006
  191    HD3  ARG  31           HD3      ARG  31   1.556   7.287  -3.012
  192    HE   ARG  31           HE       ARG  31   0.355   5.895  -4.403
  193   HH11  ARG  31          HH12      ARG  31  -0.205   9.248  -5.297
  194   HH12  ARG  31          HH11      ARG  31  -1.046   8.838  -6.767
  195   HH21  ARG  31          HH22      ARG  31  -0.716   5.362  -6.322
  196   HH22  ARG  31          HH21      ARG  31  -1.359   6.619  -7.342
  197    H    SER  32           H        SER  32  -1.192   5.083   1.223
  198    HA   SER  32           HA       SER  32   1.104   5.473   3.018
  199    HB2  SER  32           HB2      SER  32  -1.570   5.498   4.274
  200    HB3  SER  32           HB3      SER  32  -0.139   6.464   4.636
  201    HG   SER  32           HG       SER  32  -0.898   7.253   2.279
  202    H    LEU  33           H        LEU  33   0.925   4.023   5.010
  203    HA   LEU  33           HA       LEU  33   0.624   1.338   4.097
  204    HB2  LEU  33           HB2      LEU  33   1.178   2.398   6.868
  205    HB3  LEU  33           HB3      LEU  33   1.336   0.724   6.381
  206    HG   LEU  33           HG       LEU  33   2.913   2.565   4.739
  207   HD11  LEU  33          HD11      LEU  33   4.206   2.140   7.329
  208   HD12  LEU  33          HD12      LEU  33   4.200   3.559   6.282
  209   HD13  LEU  33          HD13      LEU  33   2.847   3.266   7.375
  210   HD21  LEU  33          HD21      LEU  33   2.889  -0.057   5.065
  211   HD22  LEU  33          HD22      LEU  33   4.372   0.818   4.678
  212   HD23  LEU  33          HD23      LEU  33   4.039   0.338   6.344
  213    H    SER  34           H        SER  34  -1.701   3.410   5.096
  214    HA   SER  34           HA       SER  34  -3.124   1.740   6.930
  215    HB2  SER  34           HB2      SER  34  -4.686   3.858   5.677
  216    HB3  SER  34           HB3      SER  34  -4.266   3.621   7.374
  217    HG   SER  34           HG       SER  34  -3.384   5.554   6.338
  218    H    GLY  35           H        GLY  35  -3.803   2.835   3.596
  219    HA2  GLY  35           HA2      GLY  35  -6.072   1.029   3.463
  220    HA3  GLY  35           HA3      GLY  35  -5.598   2.204   2.251
  221    H    CYS  36           H        CYS  36  -3.425  -0.222   3.554
  222    HA   CYS  36           HA       CYS  36  -2.879  -1.211   0.913
  223    HB2  CYS  36           HB2      CYS  36  -1.851  -1.882   3.664
  224    HB3  CYS  36           HB3      CYS  36  -1.377  -2.814   2.244
  225    HA   PRO  37           HA       PRO  37  -5.954  -4.509   1.275
  226    HB2  PRO  37           HB2      PRO  37  -5.630  -5.419  -1.257
  227    HB3  PRO  37           HB3      PRO  37  -6.619  -4.006  -0.873
  228    HG2  PRO  37           HG2      PRO  37  -3.846  -4.140  -1.964
  229    HG3  PRO  37           HG3      PRO  37  -5.162  -3.026  -2.372
  230    HD2  PRO  37           HD2      PRO  37  -3.074  -2.387  -0.712
  231    HD3  PRO  37           HD3      PRO  37  -4.675  -1.625  -0.635
  232    H    ARG  38           H        ARG  38  -2.622  -4.494   0.468
  233    HA   ARG  38           HA       ARG  38  -2.353  -7.364   1.038
  234    HB2  ARG  38           HB2      ARG  38  -0.481  -5.372  -0.236
  235    HB3  ARG  38           HB3      ARG  38   0.088  -6.918   0.371
  236    HG2  ARG  38           HG2      ARG  38  -0.570  -7.948  -1.475
  237    HG3  ARG  38           HG3      ARG  38  -2.204  -7.294  -1.313
  238    HD2  ARG  38           HD2      ARG  38  -0.619  -5.144  -2.112
  239    HD3  ARG  38           HD3      ARG  38  -0.078  -6.508  -3.090
  240    HE   ARG  38           HE       ARG  38  -2.565  -6.799  -3.582
  241   HH11  ARG  38          HH12      ARG  38  -1.220  -3.657  -2.778
  242   HH12  ARG  38          HH11      ARG  38  -2.239  -2.801  -3.898
  243   HH21  ARG  38          HH22      ARG  38  -3.919  -5.667  -5.037
  244   HH22  ARG  38          HH21      ARG  38  -3.794  -3.935  -5.151
  245    H    ALA  39           H        ALA  39  -3.162  -5.680   3.018
  246    HA   ALA  39           HA       ALA  39  -1.516  -4.206   4.507
  247    HB1  ALA  39           HB1      ALA  39  -3.770  -4.440   5.172
  248    HB2  ALA  39           HB2      ALA  39  -3.574  -6.164   5.487
  249    HB3  ALA  39           HB3      ALA  39  -2.784  -4.981   6.530
  250    H    LYS  40           H        LYS  40   0.387  -4.425   5.236
  251    HA   LYS  40           HA       LYS  40   1.996  -6.608   5.350
  252    HB2  LYS  40           HB2      LYS  40   3.473  -5.298   6.769
  253    HB3  LYS  40           HB3      LYS  40   2.766  -4.276   5.526
  254    HG2  LYS  40           HG2      LYS  40   1.592  -4.429   8.282
  255    HG3  LYS  40           HG3      LYS  40   2.942  -3.360   7.910
  256    HD2  LYS  40           HD2      LYS  40   0.165  -3.308   6.734
  257    HD3  LYS  40           HD3      LYS  40   0.944  -2.072   7.722
  258    HE2  LYS  40           HE2      LYS  40   2.362  -1.411   5.988
  259    HE3  LYS  40           HE3      LYS  40   2.093  -2.894   5.080
  260    HZ1  LYS  40           HZ1      LYS  40   0.954  -0.923   4.144
  261    HZ2  LYS  40           HZ2      LYS  40   0.006  -0.829   5.543
  262    HZ3  LYS  40           HZ3      LYS  40  -0.110  -2.178   4.529
  263    H    LYS  41           H        LYS  41   2.515  -8.175   6.785
  264    HA   LYS  41           HA       LYS  41   1.149  -8.208   9.386
  265    HB2  LYS  41           HB2      LYS  41   0.859 -10.183   7.168
  266    HB3  LYS  41           HB3      LYS  41   0.900 -10.798   8.814
  267    HG2  LYS  41           HG2      LYS  41  -0.891  -8.681   8.911
  268    HG3  LYS  41           HG3      LYS  41  -1.238  -9.490   7.379
  269    HD2  LYS  41           HD2      LYS  41  -1.441 -11.626   8.561
  270    HD3  LYS  41           HD3      LYS  41  -1.087 -10.816  10.090
  271    HE2  LYS  41           HE2      LYS  41  -3.265  -9.602   8.553
  272    HE3  LYS  41           HE3      LYS  41  -3.585 -11.255   9.078
  273    HZ1  LYS  41           HZ1      LYS  41  -4.332  -9.655  10.717
  274    HZ2  LYS  41           HZ2      LYS  41  -2.768  -9.007  10.842
  275    HZ3  LYS  41           HZ3      LYS  41  -3.069 -10.599  11.344
  276    H    SER  42           H        SER  42   3.220 -10.320   7.403
  277    HA   SER  42           HA       SER  42   4.772 -11.167   9.643
  278    HB2  SER  42           HB2      SER  42   5.963 -11.566   7.002
  279    HB3  SER  42           HB3      SER  42   5.481 -12.759   8.209
  280    HG   SER  42           HG       SER  42   4.270 -12.788   6.172
  281    H    GLY  43           H        GLY  43   4.917  -8.525   7.460
  282    HA2  GLY  43           HA2      GLY  43   7.057  -7.304   8.887
  283    HA3  GLY  43           HA3      GLY  43   7.602  -7.889   7.319
  284    H    LEU  44           H        LEU  44   6.893  -5.145   8.679
  285    HA   LEU  44           HA       LEU  44   4.815  -4.134   6.999
  286    HB2  LEU  44           HB2      LEU  44   6.170  -1.902   7.904
  287    HB3  LEU  44           HB3      LEU  44   4.777  -2.649   8.656
  288    HG   LEU  44           HG       LEU  44   7.308  -3.884   9.445
  289   HD11  LEU  44          HD11      LEU  44   7.757  -1.337   9.078
  290   HD12  LEU  44          HD12      LEU  44   6.846  -1.163  10.578
  291   HD13  LEU  44          HD13      LEU  44   8.318  -2.134  10.547
  292   HD21  LEU  44          HD21      LEU  44   5.883  -2.779  11.610
  293   HD22  LEU  44          HD22      LEU  44   4.686  -3.393  10.470
  294   HD23  LEU  44          HD23      LEU  44   5.940  -4.464  11.095
  295    H    ARG  45           H        ARG  45   8.299  -3.320   7.161
  296    HA   ARG  45           HA       ARG  45   8.456  -3.365   4.292
  297    HB2  ARG  45           HB2      ARG  45   9.590  -0.963   4.442
  298    HB3  ARG  45           HB3      ARG  45   7.880  -1.168   4.099
  299    HG2  ARG  45           HG2      ARG  45   7.834  -1.038   6.797
  300    HG3  ARG  45           HG3      ARG  45   9.218  -0.001   6.434
  301    HD2  ARG  45           HD2      ARG  45   7.246   0.670   4.565
  302    HD3  ARG  45           HD3      ARG  45   6.406   0.519   6.109
  303    HE   ARG  45           HE       ARG  45   7.959   2.176   7.005
  304   HH11  ARG  45          HH12      ARG  45   7.851   1.863   3.507
  305   HH12  ARG  45          HH11      ARG  45   8.278   3.523   3.217
  306   HH21  ARG  45          HH22      ARG  45   8.542   4.354   6.622
  307   HH22  ARG  45          HH21      ARG  45   8.685   4.933   4.987
  308    H    VAL  46           H        VAL  46   9.888  -5.055   4.975
  309    HA   VAL  46           HA       VAL  46  12.373  -4.224   6.248
  310    HB   VAL  46           HB       VAL  46  12.911  -6.760   5.668
  311   HG11  VAL  46          HG11      VAL  46  11.835  -7.358   7.887
  312   HG12  VAL  46          HG12      VAL  46  12.967  -6.006   7.899
  313   HG13  VAL  46          HG13      VAL  46  11.230  -5.701   7.926
  314   HG21  VAL  46          HG21      VAL  46   9.911  -6.827   5.939
  315   HG22  VAL  46          HG22      VAL  46  10.766  -7.022   4.409
  316   HG23  VAL  46          HG23      VAL  46  11.002  -8.192   5.709
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  26.220  15.225   8.025
    2    H2   GLY   1           H2       GLY   1  25.347  16.543   8.637
    3    H3   GLY   1           H3       GLY   1  26.653  16.807   7.588
    4    HA2  GLY   1           HA3      GLY   1  25.008  17.026   6.082
    5    HA3  GLY   1           HA2      GLY   1  25.224  15.281   6.011
    6    H    SER   2           H        SER   2  22.911  17.462   5.959
    7    HA   SER   2           HA       SER   2  21.084  15.912   7.680
    8    HB2  SER   2           HB2      SER   2  20.369  18.617   6.604
    9    HB3  SER   2           HB3      SER   2  19.832  17.828   8.086
   10    HG   SER   2           HG       SER   2  22.527  18.637   7.696
   11    H    MET   3           H        MET   3  18.954  15.475   6.826
   12    HA   MET   3           HA       MET   3  18.997  14.627   4.117
   13    HB2  MET   3           HB2      MET   3  16.727  13.907   4.474
   14    HB3  MET   3           HB3      MET   3  17.668  13.525   5.906
   15    HG2  MET   3           HG2      MET   3  16.582  15.059   7.204
   16    HG3  MET   3           HG3      MET   3  16.163  16.086   5.834
   17    HE1  MET   3           HE1      MET   3  14.346  16.315   4.862
   18    HE2  MET   3           HE2      MET   3  13.714  14.915   3.995
   19    HE3  MET   3           HE3      MET   3  12.787  15.626   5.318
   20    H    ALA   4           H        ALA   4  18.030  15.470   2.321
   21    HA   ALA   4           HA       ALA   4  17.385  18.325   2.504
   22    HB1  ALA   4           HB1      ALA   4  17.881  16.779  -0.022
   23    HB2  ALA   4           HB2      ALA   4  18.001  18.518   0.242
   24    HB3  ALA   4           HB3      ALA   4  19.195  17.432   0.955
   25    H    ALA   5           H        ALA   5  16.149  15.251   1.324
   26    HA   ALA   5           HA       ALA   5  13.448  16.290   1.469
   27    HB1  ALA   5           HB1      ALA   5  14.819  15.770  -1.090
   28    HB2  ALA   5           HB2      ALA   5  13.194  15.102  -0.938
   29    HB3  ALA   5           HB3      ALA   5  13.461  16.834  -0.725
   30    H    HIS   6           H        HIS   6  11.906  14.679   1.711
   31    HA   HIS   6           HA       HIS   6  12.958  11.931   1.855
   32    HB2  HIS   6           HB2      HIS   6  12.416  13.223   4.085
   33    HB3  HIS   6           HB3      HIS   6  10.752  12.826   3.671
   34    HD1  HIS   6           HD1      HIS   6  14.070  10.996   4.114
   35    HD2  HIS   6           HD2      HIS   6   9.975  10.405   4.577
   36    HE1  HIS   6           HE1      HIS   6  13.824   8.720   5.154
   37    HE2  HIS   6           HE2      HIS   6  11.337   8.310   5.258
   38    H    SER   7           H        SER   7  12.165  11.441  -0.181
   39    HA   SER   7           HA       SER   7   9.313  11.792  -0.681
   40    HB2  SER   7           HB2      SER   7  10.861  10.395  -2.734
   41    HB3  SER   7           HB3      SER   7   9.868  11.847  -2.865
   42    HG   SER   7           HG       SER   7  11.584  13.068  -2.592
   43    H    ALA   8           H        ALA   8   8.842  10.229   1.076
   44    HA   ALA   8           HA       ALA   8   9.192   7.438   0.197
   45    HB1  ALA   8           HB1      ALA   8   8.614   6.937   2.640
   46    HB2  ALA   8           HB2      ALA   8  10.204   7.624   2.300
   47    HB3  ALA   8           HB3      ALA   8   8.915   8.651   2.929
   48    H    ASP   9           H        ASP   9   7.067   9.702  -0.249
   49    HA   ASP   9           HA       ASP   9   4.739   8.025   0.407
   50    HB2  ASP   9           HB2      ASP   9   5.057  10.483   1.348
   51    HB3  ASP   9           HB3      ASP   9   4.428  10.925  -0.234
   52    H    LEU  10           H        LEU  10   6.381   7.651  -1.836
   53    HA   LEU  10           HA       LEU  10   4.625   8.463  -4.056
   54    HB2  LEU  10           HB2      LEU  10   7.241   7.022  -4.391
   55    HB3  LEU  10           HB3      LEU  10   6.367   7.985  -5.564
   56    HG   LEU  10           HG       LEU  10   7.607   9.205  -3.108
   57   HD11  LEU  10          HD11      LEU  10   8.954   8.054  -5.355
   58   HD12  LEU  10          HD12      LEU  10   9.163   9.806  -5.370
   59   HD13  LEU  10          HD13      LEU  10   9.630   8.875  -3.947
   60   HD21  LEU  10          HD21      LEU  10   6.927  10.412  -5.783
   61   HD22  LEU  10          HD22      LEU  10   5.848  10.443  -4.388
   62   HD23  LEU  10          HD23      LEU  10   7.411  11.257  -4.312
   63    H    LYS  11           H        LYS  11   6.504   5.667  -2.988
   64    HA   LYS  11           HA       LYS  11   4.257   3.935  -3.703
   65    HB2  LYS  11           HB2      LYS  11   7.167   3.589  -3.885
   66    HB3  LYS  11           HB3      LYS  11   6.340   2.249  -3.101
   67    HG2  LYS  11           HG2      LYS  11   5.683   3.359  -5.821
   68    HG3  LYS  11           HG3      LYS  11   6.606   1.890  -5.498
   69    HD2  LYS  11           HD2      LYS  11   4.349   1.486  -4.015
   70    HD3  LYS  11           HD3      LYS  11   3.719   2.358  -5.416
   71    HE2  LYS  11           HE2      LYS  11   4.006   0.600  -6.760
   72    HE3  LYS  11           HE3      LYS  11   5.632   0.302  -6.154
   73    HZ1  LYS  11           HZ1      LYS  11   3.344  -1.175  -5.654
   74    HZ2  LYS  11           HZ2      LYS  11   3.746  -0.425  -4.185
   75    HZ3  LYS  11           HZ3      LYS  11   4.882  -1.395  -4.985
   76    H    CYS  12           H        CYS  12   3.174   3.153  -2.088
   77    HA   CYS  12           HA       CYS  12   3.399   4.168   0.434
   78    HB2  CYS  12           HB2      CYS  12   1.758   2.268   1.028
   79    HB3  CYS  12           HB3      CYS  12   1.295   3.433  -0.196
   80    HA   PRO  13           HA       PRO  13   6.227   2.227   3.017
   81    HB2  PRO  13           HB2      PRO  13   3.975   1.319   4.759
   82    HB3  PRO  13           HB3      PRO  13   5.448   2.194   5.189
   83    HG2  PRO  13           HG2      PRO  13   3.151   3.488   4.992
   84    HG3  PRO  13           HG3      PRO  13   4.649   4.212   4.379
   85    HD2  PRO  13           HD2      PRO  13   2.389   2.988   2.879
   86    HD3  PRO  13           HD3      PRO  13   3.436   4.349   2.433
   87    H    THR  14           H        THR  14   3.473   0.158   2.259
   88    HA   THR  14           HA       THR  14   4.860  -2.237   3.056
   89    HB   THR  14           HB       THR  14   2.342  -2.155   1.414
   90    HG1  THR  14           HG1      THR  14   1.408  -1.184   3.043
   91   HG21  THR  14          HG21      THR  14   2.762  -4.061   3.630
   92   HG22  THR  14          HG22      THR  14   3.818  -4.256   2.231
   93   HG23  THR  14          HG23      THR  14   2.066  -4.317   2.030
   94    HA   PRO  15           HA       PRO  15   7.043  -2.391  -0.864
   95    HB2  PRO  15           HB2      PRO  15   8.083  -4.905   0.304
   96    HB3  PRO  15           HB3      PRO  15   8.962  -3.494  -0.287
   97    HG2  PRO  15           HG2      PRO  15   8.796  -3.981   2.313
   98    HG3  PRO  15           HG3      PRO  15   8.683  -2.322   1.690
   99    HD2  PRO  15           HD2      PRO  15   6.480  -4.163   2.578
  100    HD3  PRO  15           HD3      PRO  15   6.713  -2.436   2.936
  101    H    GLY  16           H        GLY  16   5.246  -5.029   0.583
  102    HA2  GLY  16           HA2      GLY  16   5.167  -6.562  -1.856
  103    HA3  GLY  16           HA3      GLY  16   4.377  -6.970  -0.343
  104    H    CYS  17           H        CYS  17   3.587  -3.876  -0.850
  105    HA   CYS  17           HA       CYS  17   0.973  -4.586  -1.900
  106    HB2  CYS  17           HB2      CYS  17   1.167  -3.218   0.140
  107    HB3  CYS  17           HB3      CYS  17   2.035  -1.990  -0.769
  108    H    ASP  18           H        ASP  18  -0.005  -3.258  -3.578
  109    HA   ASP  18           HA       ASP  18   1.994  -2.524  -5.598
  110    HB2  ASP  18           HB2      ASP  18   0.553  -3.211  -7.250
  111    HB3  ASP  18           HB3      ASP  18   0.036  -4.273  -5.948
  112    H    GLY  19           H        GLY  19  -0.445  -1.257  -3.559
  113    HA2  GLY  19           HA2      GLY  19  -0.580   1.015  -3.013
  114    HA3  GLY  19           HA3      GLY  19   0.217   1.408  -4.526
  115    H    SER  20           H        SER  20  -1.684  -0.205  -6.120
  116    HA   SER  20           HA       SER  20  -3.759   1.834  -6.173
  117    HB2  SER  20           HB2      SER  20  -3.929  -0.005  -8.377
  118    HB3  SER  20           HB3      SER  20  -3.537   1.715  -8.398
  119    HG   SER  20           HG       SER  20  -1.755  -0.467  -7.993
  120    H    GLY  21           H        GLY  21  -4.709   0.800  -4.247
  121    HA2  GLY  21           HA2      GLY  21  -7.112  -0.406  -4.842
  122    HA3  GLY  21           HA3      GLY  21  -6.012  -1.720  -4.437
  123    H    HIS  22           H        HIS  22  -7.840  -1.825  -2.752
  124    HA   HIS  22           HA       HIS  22  -6.721  -0.773  -0.292
  125    HB2  HIS  22           HB2      HIS  22  -9.319   0.175  -1.401
  126    HB3  HIS  22           HB3      HIS  22  -9.301  -0.236   0.304
  127    HD1  HIS  22           HD1      HIS  22  -8.514   1.535   1.865
  128    HD2  HIS  22           HD2      HIS  22  -7.422   2.309  -2.068
  129    HE1  HIS  22           HE1      HIS  22  -7.552   3.850   1.874
  130    HE2  HIS  22           HE2      HIS  22  -7.099   4.376  -0.541
  131    H    ILE  23           H        ILE  23  -7.209  -2.095   1.482
  132    HA   ILE  23           HA       ILE  23  -8.333  -4.688   0.863
  133    HB   ILE  23           HB       ILE  23  -6.551  -3.741   2.795
  134   HG12  ILE  23          HG12      ILE  23  -6.255  -5.883   1.909
  135   HG13  ILE  23          HG13      ILE  23  -6.668  -6.182   3.592
  136   HG21  ILE  23          HG21      ILE  23  -7.487  -4.461   4.941
  137   HG22  ILE  23          HG22      ILE  23  -8.358  -3.081   4.268
  138   HG23  ILE  23          HG23      ILE  23  -9.055  -4.699   4.169
  139   HD11  ILE  23          HD11      ILE  23  -9.053  -6.130   2.022
  140   HD12  ILE  23          HD12      ILE  23  -7.881  -7.236   1.301
  141   HD13  ILE  23          HD13      ILE  23  -8.373  -7.447   2.982
  142    H    THR  24           H        THR  24  -9.395  -1.696   1.834
  143    HA   THR  24           HA       THR  24 -11.662  -2.233   3.397
  144    HB   THR  24           HB       THR  24 -11.892   0.111   1.812
  145    HG1  THR  24           HG1      THR  24  -9.328  -0.099   3.008
  146   HG21  THR  24          HG21      THR  24 -12.494  -0.320   4.215
  147   HG22  THR  24          HG22      THR  24 -11.695   1.215   3.880
  148   HG23  THR  24          HG23      THR  24 -10.781  -0.125   4.572
  149    H    GLY  25           H        GLY  25 -11.512  -0.919   0.159
  150    HA2  GLY  25           HA2      GLY  25 -12.659  -2.002  -1.738
  151    HA3  GLY  25           HA3      GLY  25 -13.894  -2.498  -0.586
  152    H    ASN  26           H        ASN  26 -12.662   0.570   0.023
  153    HA   ASN  26           HA       ASN  26 -15.125   1.766  -1.035
  154    HB2  ASN  26           HB2      ASN  26 -13.337   2.984   1.065
  155    HB3  ASN  26           HB3      ASN  26 -15.015   3.362   0.722
  156   HD21  ASN  26          HD21      ASN  26 -16.093   0.808   0.641
  157   HD22  ASN  26          HD22      ASN  26 -15.997   0.107   2.225
  158    H    TYR  27           H        TYR  27 -11.747   1.750  -1.422
  159    HA   TYR  27           HA       TYR  27 -11.844   4.211  -3.014
  160    HB2  TYR  27           HB2      TYR  27  -9.627   3.327  -1.164
  161    HB3  TYR  27           HB3      TYR  27  -9.594   4.744  -2.188
  162    HD1  TYR  27           HD2      TYR  27 -11.053   3.240   0.819
  163    HD2  TYR  27           HD1      TYR  27 -10.790   6.759  -1.562
  164    HE1  TYR  27           HE2      TYR  27 -12.078   4.537   2.632
  165    HE2  TYR  27           HE1      TYR  27 -11.809   8.069   0.254
  166    HH   TYR  27           HH       TYR  27 -12.379   6.688   3.425
  167    H    ALA  28           H        ALA  28 -10.472   4.287  -4.787
  168    HA   ALA  28           HA       ALA  28  -9.957   1.729  -5.975
  169    HB1  ALA  28           HB1      ALA  28  -8.894   4.038  -7.398
  170    HB2  ALA  28           HB2      ALA  28 -10.063   2.823  -7.912
  171    HB3  ALA  28           HB3      ALA  28 -10.593   4.204  -6.954
  172    H    SER  29           H        SER  29  -7.977   4.287  -4.584
  173    HA   SER  29           HA       SER  29  -5.705   2.495  -4.528
  174    HB2  SER  29           HB2      SER  29  -4.540   4.828  -5.540
  175    HB3  SER  29           HB3      SER  29  -4.744   3.297  -6.390
  176    HG   SER  29           HG       SER  29  -5.651   4.996  -7.581
  177    H    HIS  30           H        HIS  30  -3.753   3.721  -3.544
  178    HA   HIS  30           HA       HIS  30  -4.537   5.873  -1.752
  179    HB2  HIS  30           HB2      HIS  30  -3.381   4.731   0.172
  180    HB3  HIS  30           HB3      HIS  30  -4.901   3.993  -0.294
  181    HD1  HIS  30           HD1      HIS  30  -4.579   1.737  -1.880
  182    HD2  HIS  30           HD2      HIS  30  -1.310   3.035   0.334
  183    HE1  HIS  30           HE1      HIS  30  -2.906  -0.158  -1.890
  184    H    ARG  31           H        ARG  31  -2.144   5.811  -0.252
  185    HA   ARG  31           HA       ARG  31   0.031   5.925  -2.172
  186    HB2  ARG  31           HB2      ARG  31  -1.365   8.178  -1.921
  187    HB3  ARG  31           HB3      ARG  31  -0.352   8.357  -0.497
  188    HG2  ARG  31           HG2      ARG  31   1.645   8.155  -1.893
  189    HG3  ARG  31           HG3      ARG  31   0.621   7.987  -3.320
  190    HD2  ARG  31           HD2      ARG  31   1.583  10.298  -2.836
  191    HD3  ARG  31           HD3      ARG  31  -0.143  10.195  -3.172
  192    HE   ARG  31           HE       ARG  31   1.005  10.464  -0.457
  193   HH11  ARG  31          HH12      ARG  31  -1.502  11.126  -2.827
  194   HH12  ARG  31          HH11      ARG  31  -2.442  12.107  -1.736
  195   HH21  ARG  31          HH22      ARG  31  -0.241  11.749   0.974
  196   HH22  ARG  31          HH21      ARG  31  -1.711  12.480   0.404
  197    H    SER  32           H        SER  32  -1.218   5.995   1.070
  198    HA   SER  32           HA       SER  32   1.450   5.268   2.079
  199    HB2  SER  32           HB2      SER  32  -0.445   6.670   3.901
  200    HB3  SER  32           HB3      SER  32   1.315   6.745   3.836
  201    HG   SER  32           HG       SER  32   1.193   8.135   2.093
  202    H    LEU  33           H        LEU  33   0.951   4.429   4.560
  203    HA   LEU  33           HA       LEU  33  -0.435   1.986   4.132
  204    HB2  LEU  33           HB2      LEU  33   1.435   3.083   6.008
  205    HB3  LEU  33           HB3      LEU  33   0.136   2.289   6.874
  206    HG   LEU  33           HG       LEU  33   1.814   1.018   4.728
  207   HD11  LEU  33          HD11      LEU  33   3.341   0.856   6.346
  208   HD12  LEU  33          HD12      LEU  33   2.199   1.358   7.594
  209   HD13  LEU  33          HD13      LEU  33   2.257  -0.327   7.079
  210   HD21  LEU  33          HD21      LEU  33   0.524  -0.872   6.374
  211   HD22  LEU  33          HD22      LEU  33  -0.696   0.299   5.875
  212   HD23  LEU  33          HD23      LEU  33   0.252  -0.558   4.659
  213    H    SER  34           H        SER  34  -2.320   3.937   3.837
  214    HA   SER  34           HA       SER  34  -3.928   3.734   6.291
  215    HB2  SER  34           HB2      SER  34  -4.949   5.483   4.181
  216    HB3  SER  34           HB3      SER  34  -4.694   5.818   5.894
  217    HG   SER  34           HG       SER  34  -2.426   6.049   5.381
  218    H    GLY  35           H        GLY  35  -3.512   2.400   3.259
  219    HA2  GLY  35           HA2      GLY  35  -6.022   0.993   3.443
  220    HA3  GLY  35           HA3      GLY  35  -5.891   2.064   2.057
  221    H    CYS  36           H        CYS  36  -3.065   0.489   3.308
  222    HA   CYS  36           HA       CYS  36  -2.420  -0.772   0.853
  223    HB2  CYS  36           HB2      CYS  36  -1.377  -0.932   3.660
  224    HB3  CYS  36           HB3      CYS  36  -0.868  -2.142   2.487
  225    HA   PRO  37           HA       PRO  37  -5.236  -4.184   1.679
  226    HB2  PRO  37           HB2      PRO  37  -5.504  -5.040  -0.834
  227    HB3  PRO  37           HB3      PRO  37  -6.248  -3.524  -0.292
  228    HG2  PRO  37           HG2      PRO  37  -3.694  -3.943  -1.820
  229    HG3  PRO  37           HG3      PRO  37  -4.988  -2.766  -2.113
  230    HD2  PRO  37           HD2      PRO  37  -2.668  -2.163  -0.782
  231    HD3  PRO  37           HD3      PRO  37  -4.208  -1.328  -0.507
  232    H    ARG  38           H        ARG  38  -2.044  -4.192   0.509
  233    HA   ARG  38           HA       ARG  38  -1.856  -7.102   0.947
  234    HB2  ARG  38           HB2      ARG  38   0.341  -5.649  -0.447
  235    HB3  ARG  38           HB3      ARG  38  -0.205  -7.304  -0.645
  236    HG2  ARG  38           HG2      ARG  38  -2.344  -5.824  -1.538
  237    HG3  ARG  38           HG3      ARG  38  -0.942  -4.912  -2.104
  238    HD2  ARG  38           HD2      ARG  38  -0.369  -6.486  -3.590
  239    HD3  ARG  38           HD3      ARG  38  -0.705  -7.802  -2.466
  240    HE   ARG  38           HE       ARG  38  -3.072  -6.509  -3.481
  241   HH11  ARG  38          HH12      ARG  38  -0.704  -9.033  -4.064
  242   HH12  ARG  38          HH11      ARG  38  -1.758  -9.957  -5.092
  243   HH21  ARG  38          HH22      ARG  38  -4.449  -7.719  -4.807
  244   HH22  ARG  38          HH21      ARG  38  -3.905  -9.220  -5.498
  245    H    ALA  39           H        ALA  39  -1.899  -4.998   2.929
  246    HA   ALA  39           HA       ALA  39   0.718  -4.321   3.746
  247    HB1  ALA  39           HB1      ALA  39  -1.302  -3.058   4.381
  248    HB2  ALA  39           HB2      ALA  39  -1.744  -4.379   5.464
  249    HB3  ALA  39           HB3      ALA  39  -0.261  -3.470   5.744
  250    H    LYS  40           H        LYS  40   1.908  -6.161   3.800
  251    HA   LYS  40           HA       LYS  40   2.853  -8.076   4.608
  252    HB2  LYS  40           HB2      LYS  40   1.945  -6.804   7.195
  253    HB3  LYS  40           HB3      LYS  40   3.149  -8.077   7.065
  254    HG2  LYS  40           HG2      LYS  40   4.661  -6.449   6.969
  255    HG3  LYS  40           HG3      LYS  40   4.076  -6.140   5.332
  256    HD2  LYS  40           HD2      LYS  40   2.256  -4.735   6.653
  257    HD3  LYS  40           HD3      LYS  40   3.543  -4.663   7.857
  258    HE2  LYS  40           HE2      LYS  40   4.988  -3.540   6.423
  259    HE3  LYS  40           HE3      LYS  40   4.087  -4.017   4.985
  260    HZ1  LYS  40           HZ1      LYS  40   3.898  -1.633   6.298
  261    HZ2  LYS  40           HZ2      LYS  40   2.507  -2.467   6.800
  262    HZ3  LYS  40           HZ3      LYS  40   2.799  -2.225   5.146
  263    H    LYS  41           H        LYS  41   0.613  -8.884   3.574
  264    HA   LYS  41           HA       LYS  41  -1.111 -10.178   5.510
  265    HB2  LYS  41           HB2      LYS  41  -1.387  -9.368   2.847
  266    HB3  LYS  41           HB3      LYS  41  -1.426 -11.124   2.792
  267    HG2  LYS  41           HG2      LYS  41  -3.501 -11.158   3.551
  268    HG3  LYS  41           HG3      LYS  41  -3.055 -10.176   4.949
  269    HD2  LYS  41           HD2      LYS  41  -4.540  -8.754   3.975
  270    HD3  LYS  41           HD3      LYS  41  -3.078  -8.251   3.125
  271    HE2  LYS  41           HE2      LYS  41  -4.388  -8.558   1.306
  272    HE3  LYS  41           HE3      LYS  41  -3.868 -10.231   1.502
  273    HZ1  LYS  41           HZ1      LYS  41  -5.901 -10.885   2.174
  274    HZ2  LYS  41           HZ2      LYS  41  -6.413  -9.512   1.320
  275    HZ3  LYS  41           HZ3      LYS  41  -6.226  -9.444   3.006
  276    H    SER  42           H        SER  42   0.740 -11.392   2.746
  277    HA   SER  42           HA       SER  42   1.359 -13.823   4.293
  278    HB2  SER  42           HB2      SER  42   1.828 -13.693   1.349
  279    HB3  SER  42           HB3      SER  42   1.312 -15.055   2.347
  280    HG   SER  42           HG       SER  42  -0.743 -14.024   2.535
  281    H    GLY  43           H        GLY  43   2.657 -11.452   4.796
  282    HA2  GLY  43           HA2      GLY  43   4.973 -11.035   5.242
  283    HA3  GLY  43           HA3      GLY  43   5.377 -11.972   3.806
  284    H    LEU  44           H        LEU  44   6.682  -9.879   3.500
  285    HA   LEU  44           HA       LEU  44   4.957  -7.920   2.127
  286    HB2  LEU  44           HB2      LEU  44   7.011  -6.402   2.353
  287    HB3  LEU  44           HB3      LEU  44   6.047  -6.703   3.783
  288    HG   LEU  44           HG       LEU  44   7.970  -8.677   3.919
  289   HD11  LEU  44          HD11      LEU  44   9.420  -7.909   2.280
  290   HD12  LEU  44          HD12      LEU  44   9.099  -6.215   2.649
  291   HD13  LEU  44          HD13      LEU  44  10.073  -7.186   3.750
  292   HD21  LEU  44          HD21      LEU  44   9.005  -6.911   5.572
  293   HD22  LEU  44          HD22      LEU  44   7.517  -6.035   5.213
  294   HD23  LEU  44          HD23      LEU  44   7.441  -7.657   5.898
  295    H    ARG  45           H        ARG  45   6.353 -10.536   1.296
  296    HA   ARG  45           HA       ARG  45   7.411  -9.447  -1.215
  297    HB2  ARG  45           HB2      ARG  45   8.989 -10.716   0.739
  298    HB3  ARG  45           HB3      ARG  45   8.744 -11.913  -0.527
  299    HG2  ARG  45           HG2      ARG  45  10.642 -10.874  -1.260
  300    HG3  ARG  45           HG3      ARG  45   9.405  -9.948  -2.110
  301    HD2  ARG  45           HD2      ARG  45  10.795  -8.301  -1.237
  302    HD3  ARG  45           HD3      ARG  45   9.480  -8.383  -0.066
  303    HE   ARG  45           HE       ARG  45  10.928  -9.515   1.440
  304   HH11  ARG  45          HH12      ARG  45  12.507  -8.383  -1.470
  305   HH12  ARG  45          HH11      ARG  45  14.107  -8.509  -0.805
  306   HH21  ARG  45          HH22      ARG  45  13.023  -9.613   2.345
  307   HH22  ARG  45          HH21      ARG  45  14.404  -9.186   1.368
  308    H    VAL  46           H        VAL  46   5.042 -10.009  -1.555
  309    HA   VAL  46           HA       VAL  46   4.905 -12.543  -2.914
  310    HB   VAL  46           HB       VAL  46   4.256 -13.150  -0.590
  311   HG11  VAL  46          HG11      VAL  46   1.660 -11.776  -0.769
  312   HG12  VAL  46          HG12      VAL  46   2.687 -12.101   0.628
  313   HG13  VAL  46          HG13      VAL  46   3.056 -10.749  -0.440
  314   HG21  VAL  46          HG21      VAL  46   3.302 -14.646  -2.027
  315   HG22  VAL  46          HG22      VAL  46   1.851 -13.975  -1.283
  316   HG23  VAL  46          HG23      VAL  46   2.367 -13.412  -2.873
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1 -13.534  20.869  -5.428
    2    H2   GLY   1           H2       GLY   1 -12.299  20.786  -4.273
    3    H3   GLY   1           H3       GLY   1 -13.756  21.569  -3.899
    4    HA2  GLY   1           HA3      GLY   1 -14.035  19.562  -2.842
    5    HA3  GLY   1           HA2      GLY   1 -14.839  19.305  -4.387
    6    H    SER   2           H        SER   2 -14.340  17.026  -3.544
    7    HA   SER   2           HA       SER   2 -13.186  15.075  -3.696
    8    HB2  SER   2           HB2      SER   2 -11.783  16.307  -6.070
    9    HB3  SER   2           HB3      SER   2 -12.209  14.614  -5.812
   10    HG   SER   2           HG       SER   2 -14.481  15.503  -5.756
   11    H    MET   3           H        MET   3 -12.122  15.714  -1.695
   12    HA   MET   3           HA       MET   3  -9.694  17.020  -1.471
   13    HB2  MET   3           HB2      MET   3 -11.158  16.368   0.423
   14    HB3  MET   3           HB3      MET   3 -10.656  14.698   0.209
   15    HG2  MET   3           HG2      MET   3  -8.384  16.467   0.472
   16    HG3  MET   3           HG3      MET   3  -9.479  16.597   1.847
   17    HE1  MET   3           HE1      MET   3  -7.474  14.237   3.856
   18    HE2  MET   3           HE2      MET   3  -7.711  15.925   3.401
   19    HE3  MET   3           HE3      MET   3  -9.079  14.961   3.956
   20    H    ALA   4           H        ALA   4  -7.900  16.605  -2.542
   21    HA   ALA   4           HA       ALA   4  -6.173  15.544  -3.563
   22    HB1  ALA   4           HB1      ALA   4  -5.015  14.565  -1.947
   23    HB2  ALA   4           HB2      ALA   4  -6.486  14.323  -1.005
   24    HB3  ALA   4           HB3      ALA   4  -5.973  13.101  -2.168
   25    H    ALA   5           H        ALA   5  -8.050  15.343  -5.179
   26    HA   ALA   5           HA       ALA   5  -9.405  12.970  -5.625
   27    HB1  ALA   5           HB1      ALA   5  -9.517  13.858  -8.052
   28    HB2  ALA   5           HB2      ALA   5 -10.254  14.802  -6.758
   29    HB3  ALA   5           HB3      ALA   5  -8.678  15.265  -7.399
   30    H    HIS   6           H        HIS   6  -6.172  13.884  -6.608
   31    HA   HIS   6           HA       HIS   6  -5.927  11.388  -8.136
   32    HB2  HIS   6           HB2      HIS   6  -4.973  13.979  -8.622
   33    HB3  HIS   6           HB3      HIS   6  -3.555  13.047  -8.150
   34    HD1  HIS   6           HD1      HIS   6  -5.601  13.834 -11.012
   35    HD2  HIS   6           HD2      HIS   6  -3.305  10.580  -9.798
   36    HE1  HIS   6           HE1      HIS   6  -5.185  12.479 -13.091
   37    HE2  HIS   6           HE2      HIS   6  -3.928  10.439 -12.307
   38    H    SER   7           H        SER   7  -5.534   9.783  -6.715
   39    HA   SER   7           HA       SER   7  -3.980  10.086  -4.366
   40    HB2  SER   7           HB2      SER   7  -4.137   7.356  -5.393
   41    HB3  SER   7           HB3      SER   7  -4.770   8.027  -3.889
   42    HG   SER   7           HG       SER   7  -6.220   7.240  -5.817
   43    H    ALA   8           H        ALA   8  -3.331   8.561  -7.500
   44    HA   ALA   8           HA       ALA   8  -1.444   8.250  -8.702
   45    HB1  ALA   8           HB1      ALA   8  -0.584  10.330  -8.672
   46    HB2  ALA   8           HB2      ALA   8  -0.673  10.463  -6.916
   47    HB3  ALA   8           HB3      ALA   8   0.653   9.573  -7.669
   48    H    ASP   9           H        ASP   9  -0.658   6.292  -8.666
   49    HA   ASP   9           HA       ASP   9   0.186   5.035  -6.218
   50    HB2  ASP   9           HB2      ASP   9  -1.018   3.694  -7.819
   51    HB3  ASP   9           HB3      ASP   9   0.134   4.087  -9.088
   52    H    LEU  10           H        LEU  10   1.937   6.408  -5.663
   53    HA   LEU  10           HA       LEU  10   4.371   6.042  -7.276
   54    HB2  LEU  10           HB2      LEU  10   5.351   7.754  -5.701
   55    HB3  LEU  10           HB3      LEU  10   4.091   8.336  -6.771
   56    HG   LEU  10           HG       LEU  10   2.870   7.502  -4.332
   57   HD11  LEU  10          HD11      LEU  10   5.372   9.114  -4.043
   58   HD12  LEU  10          HD12      LEU  10   4.012   9.365  -2.950
   59   HD13  LEU  10          HD13      LEU  10   4.781   7.782  -3.052
   60   HD21  LEU  10          HD21      LEU  10   3.249  10.364  -4.999
   61   HD22  LEU  10          HD22      LEU  10   2.416   9.354  -6.181
   62   HD23  LEU  10          HD23      LEU  10   1.788   9.490  -4.537
   63    H    LYS  11           H        LYS  11   2.876   4.185  -5.471
   64    HA   LYS  11           HA       LYS  11   3.283   2.458  -4.129
   65    HB2  LYS  11           HB2      LYS  11   6.038   3.239  -4.897
   66    HB3  LYS  11           HB3      LYS  11   5.846   2.111  -3.559
   67    HG2  LYS  11           HG2      LYS  11   4.798   1.780  -6.363
   68    HG3  LYS  11           HG3      LYS  11   6.111   0.885  -5.605
   69    HD2  LYS  11           HD2      LYS  11   4.655  -0.267  -4.170
   70    HD3  LYS  11           HD3      LYS  11   3.347   0.887  -4.439
   71    HE2  LYS  11           HE2      LYS  11   4.443  -0.873  -6.619
   72    HE3  LYS  11           HE3      LYS  11   3.121  -1.374  -5.566
   73    HZ1  LYS  11           HZ1      LYS  11   3.101   0.440  -7.793
   74    HZ2  LYS  11           HZ2      LYS  11   2.328   1.079  -6.426
   75    HZ3  LYS  11           HZ3      LYS  11   1.821  -0.401  -7.073
   76    H    CYS  12           H        CYS  12   3.251   1.990  -2.067
   77    HA   CYS  12           HA       CYS  12   3.382   4.264  -0.255
   78    HB2  CYS  12           HB2      CYS  12   1.938   2.314   0.969
   79    HB3  CYS  12           HB3      CYS  12   1.257   3.436  -0.208
   80    HA   PRO  13           HA       PRO  13   6.236   2.558   2.752
   81    HB2  PRO  13           HB2      PRO  13   4.125   1.493   4.552
   82    HB3  PRO  13           HB3      PRO  13   5.448   2.603   4.905
   83    HG2  PRO  13           HG2      PRO  13   2.950   3.487   4.713
   84    HG3  PRO  13           HG3      PRO  13   4.307   4.443   4.085
   85    HD2  PRO  13           HD2      PRO  13   2.312   2.779   2.612
   86    HD3  PRO  13           HD3      PRO  13   3.041   4.334   2.161
   87    H    THR  14           H        THR  14   3.604   0.419   1.901
   88    HA   THR  14           HA       THR  14   5.092  -1.946   2.692
   89    HB   THR  14           HB       THR  14   2.439  -1.995   1.289
   90    HG1  THR  14           HG1      THR  14   1.559  -0.992   2.928
   91   HG21  THR  14          HG21      THR  14   3.179  -3.716   3.595
   92   HG22  THR  14          HG22      THR  14   3.979  -4.019   2.054
   93   HG23  THR  14          HG23      THR  14   2.220  -4.095   2.165
   94    HA   PRO  15           HA       PRO  15   6.756  -2.140  -1.497
   95    HB2  PRO  15           HB2      PRO  15   8.108  -4.518  -0.378
   96    HB3  PRO  15           HB3      PRO  15   8.799  -3.087  -1.147
   97    HG2  PRO  15           HG2      PRO  15   9.034  -3.445   1.471
   98    HG3  PRO  15           HG3      PRO  15   8.720  -1.833   0.800
   99    HD2  PRO  15           HD2      PRO  15   6.788  -3.764   2.054
  100    HD3  PRO  15           HD3      PRO  15   6.964  -2.016   2.329
  101    H    GLY  16           H        GLY  16   5.361  -4.811   0.340
  102    HA2  GLY  16           HA2      GLY  16   5.024  -6.471  -1.987
  103    HA3  GLY  16           HA3      GLY  16   4.447  -6.821  -0.368
  104    H    CYS  17           H        CYS  17   3.483  -3.777  -1.051
  105    HA   CYS  17           HA       CYS  17   0.761  -4.595  -1.593
  106    HB2  CYS  17           HB2      CYS  17   1.352  -2.863   0.094
  107    HB3  CYS  17           HB3      CYS  17   1.960  -1.848  -1.203
  108    H    ASP  18           H        ASP  18  -0.455  -3.232  -3.251
  109    HA   ASP  18           HA       ASP  18   1.182  -3.124  -5.694
  110    HB2  ASP  18           HB2      ASP  18  -0.571  -3.932  -6.929
  111    HB3  ASP  18           HB3      ASP  18  -0.918  -4.708  -5.388
  112    H    GLY  19           H        GLY  19  -0.371  -1.223  -3.442
  113    HA2  GLY  19           HA2      GLY  19  -0.429   1.080  -3.336
  114    HA3  GLY  19           HA3      GLY  19   0.210   1.127  -4.970
  115    H    SER  20           H        SER  20  -1.792  -0.181  -6.376
  116    HA   SER  20           HA       SER  20  -3.860   1.869  -6.236
  117    HB2  SER  20           HB2      SER  20  -4.029  -0.069  -8.436
  118    HB3  SER  20           HB3      SER  20  -4.006   1.693  -8.484
  119    HG   SER  20           HG       SER  20  -1.622   1.188  -7.811
  120    H    GLY  21           H        GLY  21  -4.495   0.649  -4.203
  121    HA2  GLY  21           HA2      GLY  21  -6.971  -0.622  -4.764
  122    HA3  GLY  21           HA3      GLY  21  -5.805  -1.791  -4.156
  123    H    HIS  22           H        HIS  22  -7.552  -1.877  -2.483
  124    HA   HIS  22           HA       HIS  22  -6.601  -0.537  -0.139
  125    HB2  HIS  22           HB2      HIS  22  -9.152   0.360  -1.378
  126    HB3  HIS  22           HB3      HIS  22  -9.212   0.028   0.345
  127    HD1  HIS  22           HD1      HIS  22  -8.365   1.780   1.883
  128    HD2  HIS  22           HD2      HIS  22  -7.303   2.511  -2.071
  129    HE1  HIS  22           HE1      HIS  22  -7.468   4.124   1.850
  130    HE2  HIS  22           HE2      HIS  22  -6.931   4.597  -0.566
  131    H    ILE  23           H        ILE  23  -7.231  -1.633   1.750
  132    HA   ILE  23           HA       ILE  23  -8.179  -4.303   1.367
  133    HB   ILE  23           HB       ILE  23  -6.917  -2.855   3.481
  134   HG12  ILE  23          HG12      ILE  23  -5.956  -4.864   2.766
  135   HG13  ILE  23          HG13      ILE  23  -6.627  -5.262   4.342
  136   HG21  ILE  23          HG21      ILE  23  -8.074  -3.334   5.415
  137   HG22  ILE  23          HG22      ILE  23  -9.378  -2.887   4.314
  138   HG23  ILE  23          HG23      ILE  23  -9.050  -4.589   4.647
  139   HD11  ILE  23          HD11      ILE  23  -8.624  -5.796   2.412
  140   HD12  ILE  23          HD12      ILE  23  -7.113  -6.498   1.837
  141   HD13  ILE  23          HD13      ILE  23  -7.738  -6.936   3.427
  142    H    THR  24           H        THR  24  -9.591  -1.247   2.270
  143    HA   THR  24           HA       THR  24 -12.126  -2.331   3.062
  144    HB   THR  24           HB       THR  24 -11.281  -0.095   3.822
  145    HG1  THR  24           HG1      THR  24 -13.363  -0.045   4.210
  146   HG21  THR  24          HG21      THR  24 -10.525   1.330   2.280
  147   HG22  THR  24          HG22      THR  24 -12.203   1.587   1.802
  148   HG23  THR  24          HG23      THR  24 -11.226   0.380   0.969
  149    H    GLY  25           H        GLY  25 -10.583  -1.625   0.079
  150    HA2  GLY  25           HA2      GLY  25 -11.234  -1.960  -2.093
  151    HA3  GLY  25           HA3      GLY  25 -12.613  -2.832  -1.442
  152    H    ASN  26           H        ASN  26 -12.579   0.243  -0.183
  153    HA   ASN  26           HA       ASN  26 -14.830   0.980  -1.848
  154    HB2  ASN  26           HB2      ASN  26 -13.748   1.847   0.801
  155    HB3  ASN  26           HB3      ASN  26 -14.820   2.939  -0.070
  156   HD21  ASN  26          HD21      ASN  26 -14.687   0.494   2.137
  157   HD22  ASN  26          HD22      ASN  26 -16.317  -0.075   2.024
  158    H    TYR  27           H        TYR  27 -11.632   1.460  -2.162
  159    HA   TYR  27           HA       TYR  27 -11.994   4.109  -3.374
  160    HB2  TYR  27           HB2      TYR  27  -9.688   3.072  -1.727
  161    HB3  TYR  27           HB3      TYR  27  -9.597   4.525  -2.706
  162    HD1  TYR  27           HD1      TYR  27 -11.280   2.984   0.204
  163    HD2  TYR  27           HD2      TYR  27 -10.492   6.583  -1.929
  164    HE1  TYR  27           HE1      TYR  27 -12.184   4.288   2.078
  165    HE2  TYR  27           HE2      TYR  27 -11.397   7.895  -0.054
  166    HH   TYR  27           HH       TYR  27 -12.108   7.831   2.064
  167    H    ALA  28           H        ALA  28  -9.448   4.358  -4.454
  168    HA   ALA  28           HA       ALA  28  -9.342   2.095  -6.340
  169    HB1  ALA  28           HB1      ALA  28  -8.968   5.033  -6.880
  170    HB2  ALA  28           HB2      ALA  28  -8.574   3.760  -8.037
  171    HB3  ALA  28           HB3      ALA  28 -10.239   3.979  -7.498
  172    H    SER  29           H        SER  29  -7.507   4.564  -4.594
  173    HA   SER  29           HA       SER  29  -5.181   2.839  -4.556
  174    HB2  SER  29           HB2      SER  29  -3.961   5.182  -5.346
  175    HB3  SER  29           HB3      SER  29  -4.246   3.787  -6.384
  176    HG   SER  29           HG       SER  29  -5.914   4.777  -7.320
  177    H    HIS  30           H        HIS  30  -3.296   4.226  -3.424
  178    HA   HIS  30           HA       HIS  30  -4.274   6.149  -1.510
  179    HB2  HIS  30           HB2      HIS  30  -3.473   4.780   0.438
  180    HB3  HIS  30           HB3      HIS  30  -4.925   4.154  -0.328
  181    HD1  HIS  30           HD1      HIS  30  -4.583   1.956  -1.841
  182    HD2  HIS  30           HD2      HIS  30  -1.319   3.110   0.471
  183    HE1  HIS  30           HE1      HIS  30  -2.960   0.012  -1.867
  184    H    ARG  31           H        ARG  31  -2.102   5.814   0.319
  185    HA   ARG  31           HA       ARG  31   0.345   5.866  -1.217
  186    HB2  ARG  31           HB2      ARG  31  -1.071   8.297  -0.607
  187    HB3  ARG  31           HB3      ARG  31   0.472   8.277   0.234
  188    HG2  ARG  31           HG2      ARG  31   1.592   7.805  -1.916
  189    HG3  ARG  31           HG3      ARG  31   0.030   7.957  -2.725
  190    HD2  ARG  31           HD2      ARG  31   0.623  10.204  -0.971
  191    HD3  ARG  31           HD3      ARG  31   1.823   9.997  -2.247
  192    HE   ARG  31           HE       ARG  31  -0.270   9.925  -3.755
  193   HH11  ARG  31          HH12      ARG  31  -0.021  11.817  -0.816
  194   HH12  ARG  31          HH11      ARG  31  -1.012  13.109  -1.418
  195   HH21  ARG  31          HH22      ARG  31  -1.595  11.615  -4.533
  196   HH22  ARG  31          HH21      ARG  31  -1.906  13.002  -3.527
  197    H    SER  32           H        SER  32  -1.397   5.661   1.702
  198    HA   SER  32           HA       SER  32   1.102   5.219   3.200
  199    HB2  SER  32           HB2      SER  32  -1.154   5.887   4.893
  200    HB3  SER  32           HB3      SER  32   0.423   6.668   4.782
  201    HG   SER  32           HG       SER  32  -0.342   7.909   3.055
  202    H    LEU  33           H        LEU  33   0.590   3.867   5.272
  203    HA   LEU  33           HA       LEU  33  -0.444   1.382   4.361
  204    HB2  LEU  33           HB2      LEU  33   1.076   2.390   6.620
  205    HB3  LEU  33           HB3      LEU  33  -0.081   1.166   7.107
  206    HG   LEU  33           HG       LEU  33   1.665   0.607   4.767
  207   HD11  LEU  33          HD11      LEU  33   3.186   1.523   6.452
  208   HD12  LEU  33          HD12      LEU  33   2.557   0.375   7.634
  209   HD13  LEU  33          HD13      LEU  33   3.434  -0.208   6.220
  210   HD21  LEU  33          HD21      LEU  33   0.040  -1.041   5.240
  211   HD22  LEU  33          HD22      LEU  33   1.565  -1.670   5.866
  212   HD23  LEU  33          HD23      LEU  33   0.375  -0.981   6.971
  213    H    SER  34           H        SER  34  -2.150   3.944   5.209
  214    HA   SER  34           HA       SER  34  -4.039   2.778   7.038
  215    HB2  SER  34           HB2      SER  34  -5.121   5.039   5.671
  216    HB3  SER  34           HB3      SER  34  -4.538   4.941   7.333
  217    HG   SER  34           HG       SER  34  -2.648   5.766   6.754
  218    H    GLY  35           H        GLY  35  -3.448   2.618   3.702
  219    HA2  GLY  35           HA2      GLY  35  -6.116   1.446   3.285
  220    HA3  GLY  35           HA3      GLY  35  -5.473   2.608   2.136
  221    H    CYS  36           H        CYS  36  -3.049   0.636   3.436
  222    HA   CYS  36           HA       CYS  36  -2.499  -0.614   0.954
  223    HB2  CYS  36           HB2      CYS  36  -1.410  -0.837   3.739
  224    HB3  CYS  36           HB3      CYS  36  -0.955  -2.046   2.539
  225    HA   PRO  37           HA       PRO  37  -5.352  -4.051   1.632
  226    HB2  PRO  37           HB2      PRO  37  -5.233  -5.047  -0.856
  227    HB3  PRO  37           HB3      PRO  37  -6.118  -3.556  -0.502
  228    HG2  PRO  37           HG2      PRO  37  -3.379  -3.903  -1.666
  229    HG3  PRO  37           HG3      PRO  37  -4.672  -2.795  -2.159
  230    HD2  PRO  37           HD2      PRO  37  -2.562  -2.048  -0.594
  231    HD3  PRO  37           HD3      PRO  37  -4.153  -1.269  -0.537
  232    H    ARG  38           H        ARG  38  -2.044  -3.985   1.076
  233    HA   ARG  38           HA       ARG  38  -1.810  -6.868   1.596
  234    HB2  ARG  38           HB2      ARG  38  -0.605  -5.257  -0.597
  235    HB3  ARG  38           HB3      ARG  38   0.399  -6.493   0.147
  236    HG2  ARG  38           HG2      ARG  38  -0.722  -8.162  -0.830
  237    HG3  ARG  38           HG3      ARG  38  -2.291  -7.393  -0.564
  238    HD2  ARG  38           HD2      ARG  38  -1.275  -5.726  -2.397
  239    HD3  ARG  38           HD3      ARG  38  -0.443  -7.209  -2.862
  240    HE   ARG  38           HE       ARG  38  -3.308  -7.444  -2.487
  241   HH11  ARG  38          HH12      ARG  38  -0.665  -6.894  -4.724
  242   HH12  ARG  38          HH11      ARG  38  -1.576  -7.385  -6.124
  243   HH21  ARG  38          HH22      ARG  38  -4.504  -8.130  -4.313
  244   HH22  ARG  38          HH21      ARG  38  -3.770  -8.076  -5.891
  245    H    ALA  39           H        ALA  39  -1.752  -5.014   3.583
  246    HA   ALA  39           HA       ALA  39   0.731  -3.876   4.206
  247    HB1  ALA  39           HB1      ALA  39  -0.211  -3.293   6.178
  248    HB2  ALA  39           HB2      ALA  39  -1.692  -3.773   5.349
  249    HB3  ALA  39           HB3      ALA  39  -0.896  -4.894   6.452
  250    H    LYS  40           H        LYS  40   2.435  -4.578   5.503
  251    HA   LYS  40           HA       LYS  40   3.056  -7.368   5.313
  252    HB2  LYS  40           HB2      LYS  40   4.451  -4.912   6.245
  253    HB3  LYS  40           HB3      LYS  40   5.040  -6.454   6.848
  254    HG2  LYS  40           HG2      LYS  40   5.982  -6.988   4.897
  255    HG3  LYS  40           HG3      LYS  40   4.597  -6.414   3.963
  256    HD2  LYS  40           HD2      LYS  40   6.575  -5.097   3.452
  257    HD3  LYS  40           HD3      LYS  40   5.365  -4.105   4.265
  258    HE2  LYS  40           HE2      LYS  40   7.015  -5.255   6.258
  259    HE3  LYS  40           HE3      LYS  40   8.069  -4.595   5.008
  260    HZ1  LYS  40           HZ1      LYS  40   7.006  -3.163   7.007
  261    HZ2  LYS  40           HZ2      LYS  40   5.876  -2.871   5.773
  262    HZ3  LYS  40           HZ3      LYS  40   7.513  -2.504   5.529
  263    H    LYS  41           H        LYS  41   0.771  -7.123   6.798
  264    HA   LYS  41           HA       LYS  41   1.634  -8.130   9.408
  265    HB2  LYS  41           HB2      LYS  41  -0.229  -5.838   8.893
  266    HB3  LYS  41           HB3      LYS  41  -0.514  -6.884  10.278
  267    HG2  LYS  41           HG2      LYS  41   2.249  -6.007  10.078
  268    HG3  LYS  41           HG3      LYS  41   1.107  -4.669  10.223
  269    HD2  LYS  41           HD2      LYS  41   0.456  -5.276  12.320
  270    HD3  LYS  41           HD3      LYS  41   0.720  -6.996  12.024
  271    HE2  LYS  41           HE2      LYS  41   3.000  -5.053  12.220
  272    HE3  LYS  41           HE3      LYS  41   2.299  -5.806  13.652
  273    HZ1  LYS  41           HZ1      LYS  41   3.886  -7.328  13.197
  274    HZ2  LYS  41           HZ2      LYS  41   3.929  -6.982  11.539
  275    HZ3  LYS  41           HZ3      LYS  41   2.692  -7.955  12.167
  276    H    SER  42           H        SER  42   1.163 -10.176   8.569
  277    HA   SER  42           HA       SER  42  -0.109 -12.037   8.331
  278    HB2  SER  42           HB2      SER  42  -2.551 -10.381   8.969
  279    HB3  SER  42           HB3      SER  42  -2.355 -12.124   9.143
  280    HG   SER  42           HG       SER  42  -1.322 -11.845  10.977
  281    H    GLY  43           H        GLY  43  -2.132  -9.353   7.085
  282    HA2  GLY  43           HA2      GLY  43  -2.852 -10.944   4.767
  283    HA3  GLY  43           HA3      GLY  43  -3.427  -9.329   5.148
  284    H    LEU  44           H        LEU  44  -0.106 -10.517   4.773
  285    HA   LEU  44           HA       LEU  44   0.565  -8.311   3.064
  286    HB2  LEU  44           HB2      LEU  44   2.619 -10.160   2.823
  287    HB3  LEU  44           HB3      LEU  44   2.559  -8.800   3.928
  288    HG   LEU  44           HG       LEU  44   1.239 -10.593   5.419
  289   HD11  LEU  44          HD11      LEU  44   1.692 -12.231   3.431
  290   HD12  LEU  44          HD12      LEU  44   3.285 -12.369   4.177
  291   HD13  LEU  44          HD13      LEU  44   1.839 -12.784   5.100
  292   HD21  LEU  44          HD21      LEU  44   3.495  -9.268   5.693
  293   HD22  LEU  44          HD22      LEU  44   3.101 -10.626   6.746
  294   HD23  LEU  44          HD23      LEU  44   4.201 -10.854   5.388
  295    H    ARG  45           H        ARG  45  -0.317 -11.636   2.685
  296    HA   ARG  45           HA       ARG  45  -0.580 -11.215  -0.186
  297    HB2  ARG  45           HB2      ARG  45   1.513 -12.710   0.771
  298    HB3  ARG  45           HB3      ARG  45   0.279 -13.939   0.530
  299    HG2  ARG  45           HG2      ARG  45   1.108 -11.972  -1.590
  300    HG3  ARG  45           HG3      ARG  45   1.817 -13.578  -1.405
  301    HD2  ARG  45           HD2      ARG  45  -1.128 -13.062  -1.807
  302    HD3  ARG  45           HD3      ARG  45  -0.001 -13.431  -3.112
  303    HE   ARG  45           HE       ARG  45   0.437 -15.527  -1.613
  304   HH11  ARG  45          HH12      ARG  45  -2.644 -13.970  -2.236
  305   HH12  ARG  45          HH11      ARG  45  -3.562 -15.436  -2.081
  306   HH21  ARG  45          HH22      ARG  45  -0.780 -17.456  -1.378
  307   HH22  ARG  45          HH21      ARG  45  -2.506 -17.415  -1.594
  308    H    VAL  46           H        VAL  46  -2.801 -11.031   0.201
  309    HA   VAL  46           HA       VAL  46  -4.129 -13.429   1.261
  310    HB   VAL  46           HB       VAL  46  -6.132 -11.563   0.926
  311   HG11  VAL  46          HG11      VAL  46  -4.502 -12.040   3.417
  312   HG12  VAL  46          HG12      VAL  46  -6.167 -11.461   3.342
  313   HG13  VAL  46          HG13      VAL  46  -5.780 -13.098   2.817
  314   HG21  VAL  46          HG21      VAL  46  -5.467  -9.448   1.351
  315   HG22  VAL  46          HG22      VAL  46  -4.161  -9.960   2.419
  316   HG23  VAL  46          HG23      VAL  46  -3.940 -10.010   0.672
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1   3.662   5.987 -14.982
    2    H2   GLY   1           H2       GLY   1   5.000   6.187 -15.999
    3    H3   GLY   1           H3       GLY   1   5.201   5.487 -14.469
    4    HA2  GLY   1           HA3      GLY   1   4.673   4.214 -16.894
    5    HA3  GLY   1           HA2      GLY   1   4.871   3.486 -15.306
    6    H    SER   2           H        SER   2   2.891   3.465 -17.819
    7    HA   SER   2           HA       SER   2   0.343   3.901 -16.646
    8    HB2  SER   2           HB2      SER   2   0.448   2.063 -18.938
    9    HB3  SER   2           HB3      SER   2  -0.416   3.591 -18.757
   10    HG   SER   2           HG       SER   2   1.481   4.697 -19.255
   11    H    MET   3           H        MET   3   2.506   1.176 -16.837
   12    HA   MET   3           HA       MET   3   0.467  -0.569 -15.637
   13    HB2  MET   3           HB2      MET   3   1.871  -1.343 -17.634
   14    HB3  MET   3           HB3      MET   3   3.225  -1.416 -16.514
   15    HG2  MET   3           HG2      MET   3   2.603  -3.472 -15.988
   16    HG3  MET   3           HG3      MET   3   1.148  -2.796 -15.258
   17    HE1  MET   3           HE1      MET   3  -0.325  -5.822 -17.030
   18    HE2  MET   3           HE2      MET   3   1.434  -5.946 -17.017
   19    HE3  MET   3           HE3      MET   3   0.589  -5.276 -15.623
   20    H    ALA   4           H        ALA   4   0.635   0.788 -13.716
   21    HA   ALA   4           HA       ALA   4   2.580  -0.286 -11.848
   22    HB1  ALA   4           HB1      ALA   4   2.882   2.309 -13.050
   23    HB2  ALA   4           HB2      ALA   4   2.622   2.469 -11.313
   24    HB3  ALA   4           HB3      ALA   4   3.946   1.475 -11.917
   25    H    ALA   5           H        ALA   5   1.858   2.142 -10.118
   26    HA   ALA   5           HA       ALA   5  -0.615   1.099  -9.022
   27    HB1  ALA   5           HB1      ALA   5  -0.353   2.728  -7.284
   28    HB2  ALA   5           HB2      ALA   5   1.221   1.987  -7.576
   29    HB3  ALA   5           HB3      ALA   5   0.872   3.596  -8.211
   30    H    HIS   6           H        HIS   6  -1.829   1.405 -10.931
   31    HA   HIS   6           HA       HIS   6  -3.254   2.423 -12.347
   32    HB2  HIS   6           HB2      HIS   6  -3.961   3.550 -10.054
   33    HB3  HIS   6           HB3      HIS   6  -3.284   4.986 -10.819
   34    HD1  HIS   6           HD1      HIS   6  -4.422   5.704 -13.137
   35    HD2  HIS   6           HD2      HIS   6  -6.458   2.827 -10.925
   36    HE1  HIS   6           HE1      HIS   6  -6.751   5.641 -14.081
   37    HE2  HIS   6           HE2      HIS   6  -7.869   3.717 -12.902
   38    H    SER   7           H        SER   7  -2.315   5.662 -11.692
   39    HA   SER   7           HA       SER   7  -0.310   5.574 -13.836
   40    HB2  SER   7           HB2      SER   7  -1.995   7.992 -13.801
   41    HB3  SER   7           HB3      SER   7  -1.423   7.040 -15.169
   42    HG   SER   7           HG       SER   7  -3.326   6.184 -15.250
   43    H    ALA   8           H        ALA   8  -0.399   5.866 -10.803
   44    HA   ALA   8           HA       ALA   8   0.927   8.492 -10.602
   45    HB1  ALA   8           HB1      ALA   8  -0.242   8.900  -8.757
   46    HB2  ALA   8           HB2      ALA   8  -1.205   7.474  -9.144
   47    HB3  ALA   8           HB3      ALA   8   0.180   7.336  -8.062
   48    H    ASP   9           H        ASP   9   0.976   5.304  -9.034
   49    HA   ASP   9           HA       ASP   9   2.613   4.099  -8.033
   50    HB2  ASP   9           HB2      ASP   9   3.226   4.075 -10.514
   51    HB3  ASP   9           HB3      ASP   9   4.504   5.202 -10.083
   52    H    LEU  10           H        LEU  10   2.295   5.996  -6.426
   53    HA   LEU  10           HA       LEU  10   4.648   7.632  -6.022
   54    HB2  LEU  10           HB2      LEU  10   3.508   8.527  -4.119
   55    HB3  LEU  10           HB3      LEU  10   2.353   8.404  -5.434
   56    HG   LEU  10           HG       LEU  10   2.239   5.996  -3.907
   57   HD11  LEU  10          HD11      LEU  10   1.238   7.339  -1.858
   58   HD12  LEU  10          HD12      LEU  10   2.933   6.852  -1.919
   59   HD13  LEU  10          HD13      LEU  10   2.474   8.503  -2.340
   60   HD21  LEU  10          HD21      LEU  10   0.081   6.275  -4.362
   61   HD22  LEU  10          HD22      LEU  10   0.037   7.843  -3.556
   62   HD23  LEU  10          HD23      LEU  10   0.547   7.731  -5.241
   63    H    LYS  11           H        LYS  11   3.596   4.520  -5.240
   64    HA   LYS  11           HA       LYS  11   4.450   2.800  -4.079
   65    HB2  LYS  11           HB2      LYS  11   6.811   4.631  -4.156
   66    HB3  LYS  11           HB3      LYS  11   6.870   3.173  -3.171
   67    HG2  LYS  11           HG2      LYS  11   6.294   3.272  -6.123
   68    HG3  LYS  11           HG3      LYS  11   7.826   2.810  -5.382
   69    HD2  LYS  11           HD2      LYS  11   7.032   0.786  -4.682
   70    HD3  LYS  11           HD3      LYS  11   5.382   1.385  -4.484
   71    HE2  LYS  11           HE2      LYS  11   5.955  -0.281  -6.411
   72    HE3  LYS  11           HE3      LYS  11   4.861   1.069  -6.702
   73    HZ1  LYS  11           HZ1      LYS  11   6.917   0.512  -8.268
   74    HZ2  LYS  11           HZ2      LYS  11   7.692   1.559  -7.188
   75    HZ3  LYS  11           HZ3      LYS  11   6.332   2.090  -8.056
   76    H    CYS  12           H        CYS  12   3.382   2.391  -2.332
   77    HA   CYS  12           HA       CYS  12   3.300   4.229  -0.105
   78    HB2  CYS  12           HB2      CYS  12   1.777   2.232   0.720
   79    HB3  CYS  12           HB3      CYS  12   1.216   3.331  -0.532
   80    HA   PRO  13           HA       PRO  13   6.067   2.239   2.662
   81    HB2  PRO  13           HB2      PRO  13   4.063   1.079   4.491
   82    HB3  PRO  13           HB3      PRO  13   5.301   2.298   4.801
   83    HG2  PRO  13           HG2      PRO  13   2.706   2.945   4.657
   84    HG3  PRO  13           HG3      PRO  13   3.974   4.031   4.060
   85    HD2  PRO  13           HD2      PRO  13   2.144   2.231   2.531
   86    HD3  PRO  13           HD3      PRO  13   2.707   3.868   2.138
   87    H    THR  14           H        THR  14   3.431   0.043   1.876
   88    HA   THR  14           HA       THR  14   4.827  -2.282   2.769
   89    HB   THR  14           HB       THR  14   2.394  -2.200   0.987
   90    HG1  THR  14           HG1      THR  14   1.376  -1.418   2.670
   91   HG21  THR  14          HG21      THR  14   2.851  -4.276   3.056
   92   HG22  THR  14          HG22      THR  14   3.856  -4.347   1.608
   93   HG23  THR  14          HG23      THR  14   2.099  -4.409   1.466
   94    HA   PRO  15           HA       PRO  15   7.340  -2.798  -0.885
   95    HB2  PRO  15           HB2      PRO  15   7.878  -5.436   0.343
   96    HB3  PRO  15           HB3      PRO  15   9.007  -4.158  -0.113
   97    HG2  PRO  15           HG2      PRO  15   8.460  -4.633   2.441
   98    HG3  PRO  15           HG3      PRO  15   8.668  -2.976   1.846
   99    HD2  PRO  15           HD2      PRO  15   6.135  -4.463   2.444
  100    HD3  PRO  15           HD3      PRO  15   6.573  -2.787   2.839
  101    H    GLY  16           H        GLY  16   5.316  -5.468   0.328
  102    HA2  GLY  16           HA2      GLY  16   5.246  -6.770  -2.226
  103    HA3  GLY  16           HA3      GLY  16   4.331  -7.228  -0.801
  104    H    CYS  17           H        CYS  17   3.702  -4.099  -1.078
  105    HA   CYS  17           HA       CYS  17   1.172  -4.531  -2.433
  106    HB2  CYS  17           HB2      CYS  17   1.449  -3.290  -0.231
  107    HB3  CYS  17           HB3      CYS  17   2.203  -1.999  -1.154
  108    H    ASP  18           H        ASP  18   0.721  -2.021  -3.476
  109    HA   ASP  18           HA       ASP  18   2.845  -1.533  -5.421
  110    HB2  ASP  18           HB2      ASP  18   1.637  -2.120  -7.283
  111    HB3  ASP  18           HB3      ASP  18   0.978  -3.271  -6.123
  112    H    GLY  19           H        GLY  19  -0.241  -0.563  -4.015
  113    HA2  GLY  19           HA2      GLY  19  -0.217   1.816  -3.234
  114    HA3  GLY  19           HA3      GLY  19   0.338   2.211  -4.854
  115    H    SER  20           H        SER  20  -1.689  -0.164  -5.534
  116    HA   SER  20           HA       SER  20  -3.982   1.664  -5.762
  117    HB2  SER  20           HB2      SER  20  -3.711  -0.834  -7.398
  118    HB3  SER  20           HB3      SER  20  -4.539   0.674  -7.791
  119    HG   SER  20           HG       SER  20  -1.756   0.126  -7.784
  120    H    GLY  21           H        GLY  21  -6.073   0.886  -5.390
  121    HA2  GLY  21           HA2      GLY  21  -7.692  -0.593  -4.582
  122    HA3  GLY  21           HA3      GLY  21  -6.423  -1.745  -4.193
  123    H    HIS  22           H        HIS  22  -8.093  -1.690  -2.303
  124    HA   HIS  22           HA       HIS  22  -6.702  -0.416  -0.109
  125    HB2  HIS  22           HB2      HIS  22  -9.410   0.477  -0.972
  126    HB3  HIS  22           HB3      HIS  22  -9.194   0.207   0.749
  127    HD1  HIS  22           HD1      HIS  22  -8.339   2.142   2.035
  128    HD2  HIS  22           HD2      HIS  22  -7.452   2.458  -2.016
  129    HE1  HIS  22           HE1      HIS  22  -7.373   4.436   1.729
  130    HE2  HIS  22           HE2      HIS  22  -6.994   4.673  -0.749
  131    H    ILE  23           H        ILE  23  -7.184  -1.417   1.898
  132    HA   ILE  23           HA       ILE  23  -8.218  -4.103   1.730
  133    HB   ILE  23           HB       ILE  23  -6.563  -2.747   3.526
  134   HG12  ILE  23          HG12      ILE  23  -6.491  -5.133   2.808
  135   HG13  ILE  23          HG13      ILE  23  -6.253  -4.906   4.537
  136   HG21  ILE  23          HG21      ILE  23  -8.625  -1.972   4.698
  137   HG22  ILE  23          HG22      ILE  23  -8.989  -3.661   5.054
  138   HG23  ILE  23          HG23      ILE  23  -7.521  -2.920   5.696
  139   HD11  ILE  23          HD11      ILE  23  -7.726  -6.828   3.847
  140   HD12  ILE  23          HD12      ILE  23  -8.411  -5.717   5.034
  141   HD13  ILE  23          HD13      ILE  23  -8.913  -5.623   3.345
  142    H    THR  24           H        THR  24  -9.348  -0.947   2.568
  143    HA   THR  24           HA       THR  24 -11.863  -1.755   3.668
  144    HB   THR  24           HB       THR  24 -10.445   0.568   3.702
  145    HG1  THR  24           HG1      THR  24 -13.254   0.251   4.125
  146   HG21  THR  24          HG21      THR  24 -11.098   1.083   1.369
  147   HG22  THR  24          HG22      THR  24 -11.635   2.296   2.533
  148   HG23  THR  24          HG23      THR  24 -12.782   1.122   1.884
  149    H    GLY  25           H        GLY  25 -10.571  -1.697   0.555
  150    HA2  GLY  25           HA2      GLY  25 -11.433  -2.206  -1.499
  151    HA3  GLY  25           HA3      GLY  25 -12.795  -2.855  -0.609
  152    H    ASN  26           H        ASN  26 -12.434   0.447  -0.027
  153    HA   ASN  26           HA       ASN  26 -14.708   0.952  -1.795
  154    HB2  ASN  26           HB2      ASN  26 -13.853   1.950   0.868
  155    HB3  ASN  26           HB3      ASN  26 -14.749   3.069  -0.152
  156   HD21  ASN  26          HD21      ASN  26 -14.838  -0.224   1.141
  157   HD22  ASN  26          HD22      ASN  26 -16.556  -0.290   1.301
  158    H    TYR  27           H        TYR  27 -11.653   1.250  -2.325
  159    HA   TYR  27           HA       TYR  27 -11.939   3.785  -3.741
  160    HB2  TYR  27           HB2      TYR  27  -9.536   3.146  -2.013
  161    HB3  TYR  27           HB3      TYR  27  -9.679   4.527  -3.089
  162    HD1  TYR  27           HD2      TYR  27 -10.964   3.017   0.030
  163    HD2  TYR  27           HD1      TYR  27 -10.822   6.502  -2.409
  164    HE1  TYR  27           HE2      TYR  27 -11.927   4.334   1.864
  165    HE2  TYR  27           HE1      TYR  27 -11.775   7.830  -0.573
  166    HH   TYR  27           HH       TYR  27 -12.910   6.308   2.399
  167    H    ALA  28           H        ALA  28  -9.860   4.080  -5.163
  168    HA   ALA  28           HA       ALA  28  -9.417   1.499  -6.502
  169    HB1  ALA  28           HB1      ALA  28  -8.835   2.838  -8.482
  170    HB2  ALA  28           HB2      ALA  28 -10.471   3.157  -7.907
  171    HB3  ALA  28           HB3      ALA  28  -9.176   4.307  -7.568
  172    H    SER  29           H        SER  29  -7.829   4.087  -4.832
  173    HA   SER  29           HA       SER  29  -5.344   2.610  -4.881
  174    HB2  SER  29           HB2      SER  29  -4.334   5.074  -5.550
  175    HB3  SER  29           HB3      SER  29  -4.528   3.728  -6.673
  176    HG   SER  29           HG       SER  29  -6.418   5.803  -6.184
  177    H    HIS  30           H        HIS  30  -3.658   3.723  -3.505
  178    HA   HIS  30           HA       HIS  30  -4.849   5.531  -1.523
  179    HB2  HIS  30           HB2      HIS  30  -3.656   4.231   0.288
  180    HB3  HIS  30           HB3      HIS  30  -5.078   3.463  -0.394
  181    HD1  HIS  30           HD1      HIS  30  -4.549   1.446  -2.150
  182    HD2  HIS  30           HD2      HIS  30  -1.399   2.770   0.229
  183    HE1  HIS  30           HE1      HIS  30  -2.775  -0.364  -2.226
  184    H    ARG  31           H        ARG  31  -2.577   5.381   0.224
  185    HA   ARG  31           HA       ARG  31  -0.340   6.302  -1.395
  186    HB2  ARG  31           HB2      ARG  31  -2.078   8.030   0.280
  187    HB3  ARG  31           HB3      ARG  31  -0.345   8.300   0.404
  188    HG2  ARG  31           HG2      ARG  31  -0.756   8.158  -2.310
  189    HG3  ARG  31           HG3      ARG  31  -2.192   8.999  -1.724
  190    HD2  ARG  31           HD2      ARG  31   0.567   9.794  -0.850
  191    HD3  ARG  31           HD3      ARG  31  -0.141  10.405  -2.345
  192    HE   ARG  31           HE       ARG  31  -1.129  10.925   0.382
  193   HH11  ARG  31          HH12      ARG  31  -1.173  11.603  -3.059
  194   HH12  ARG  31          HH11      ARG  31  -2.080  13.077  -2.885
  195   HH21  ARG  31          HH22      ARG  31  -2.319  12.853   0.619
  196   HH22  ARG  31          HH21      ARG  31  -2.712  13.799  -0.790
  197    H    SER  32           H        SER  32  -1.694   5.336   1.696
  198    HA   SER  32           HA       SER  32   1.038   4.751   2.629
  199    HB2  SER  32           HB2      SER  32  -0.885   5.532   4.720
  200    HB3  SER  32           HB3      SER  32   0.810   5.969   4.522
  201    HG   SER  32           HG       SER  32   0.132   7.450   2.876
  202    H    LEU  33           H        LEU  33   0.504   3.601   5.035
  203    HA   LEU  33           HA       LEU  33  -0.397   1.023   4.243
  204    HB2  LEU  33           HB2      LEU  33   0.980   2.233   6.506
  205    HB3  LEU  33           HB3      LEU  33  -0.143   0.981   7.003
  206    HG   LEU  33           HG       LEU  33   1.819   0.424   4.814
  207   HD11  LEU  33          HD11      LEU  33   3.296  -0.505   6.673
  208   HD12  LEU  33          HD12      LEU  33   3.297   1.244   6.445
  209   HD13  LEU  33          HD13      LEU  33   2.373   0.528   7.767
  210   HD21  LEU  33          HD21      LEU  33   0.887  -1.429   6.971
  211   HD22  LEU  33          HD22      LEU  33  -0.148  -1.076   5.587
  212   HD23  LEU  33          HD23      LEU  33   1.440  -1.802   5.339
  213    H    SER  34           H        SER  34  -2.058   3.699   5.247
  214    HA   SER  34           HA       SER  34  -4.106   2.384   6.787
  215    HB2  SER  34           HB2      SER  34  -4.972   4.876   5.668
  216    HB3  SER  34           HB3      SER  34  -4.567   4.512   7.346
  217    HG   SER  34           HG       SER  34  -2.375   4.943   6.851
  218    H    GLY  35           H        GLY  35  -3.247   2.494   3.569
  219    HA2  GLY  35           HA2      GLY  35  -5.997   1.825   2.737
  220    HA3  GLY  35           HA3      GLY  35  -4.914   2.768   1.724
  221    H    CYS  36           H        CYS  36  -2.749   0.808   2.900
  222    HA   CYS  36           HA       CYS  36  -2.461  -0.782   0.631
  223    HB2  CYS  36           HB2      CYS  36  -1.345  -0.964   3.420
  224    HB3  CYS  36           HB3      CYS  36  -0.983  -2.209   2.231
  225    HA   PRO  37           HA       PRO  37  -5.581  -3.883   1.697
  226    HB2  PRO  37           HB2      PRO  37  -5.582  -5.119  -0.708
  227    HB3  PRO  37           HB3      PRO  37  -6.447  -3.603  -0.421
  228    HG2  PRO  37           HG2      PRO  37  -3.815  -4.066  -1.752
  229    HG3  PRO  37           HG3      PRO  37  -5.106  -2.929  -2.180
  230    HD2  PRO  37           HD2      PRO  37  -2.823  -2.227  -0.826
  231    HD3  PRO  37           HD3      PRO  37  -4.357  -1.345  -0.715
  232    H    ARG  38           H        ARG  38  -2.356  -4.164   0.534
  233    HA   ARG  38           HA       ARG  38  -2.168  -6.931   1.521
  234    HB2  ARG  38           HB2      ARG  38  -0.308  -5.383  -0.297
  235    HB3  ARG  38           HB3      ARG  38   0.022  -6.990   0.331
  236    HG2  ARG  38           HG2      ARG  38  -1.148  -7.932  -1.287
  237    HG3  ARG  38           HG3      ARG  38  -2.550  -6.914  -0.946
  238    HD2  ARG  38           HD2      ARG  38  -0.669  -5.244  -2.165
  239    HD3  ARG  38           HD3      ARG  38  -0.641  -6.747  -3.085
  240    HE   ARG  38           HE       ARG  38  -3.242  -6.354  -2.970
  241   HH11  ARG  38          HH12      ARG  38  -0.750  -3.954  -3.445
  242   HH12  ARG  38          HH11      ARG  38  -1.681  -3.010  -4.572
  243   HH21  ARG  38          HH22      ARG  38  -4.505  -5.091  -4.387
  244   HH22  ARG  38          HH21      ARG  38  -3.837  -3.642  -5.076
  245    H    ALA  39           H        ALA  39  -2.404  -4.640   3.173
  246    HA   ALA  39           HA       ALA  39  -0.329  -3.224   4.024
  247    HB1  ALA  39           HB1      ALA  39  -2.788  -4.031   5.151
  248    HB2  ALA  39           HB2      ALA  39  -1.558  -4.161   6.409
  249    HB3  ALA  39           HB3      ALA  39  -1.796  -2.632   5.564
  250    H    LYS  40           H        LYS  40   1.595  -3.446   4.901
  251    HA   LYS  40           HA       LYS  40   2.670  -6.027   5.469
  252    HB2  LYS  40           HB2      LYS  40   4.240  -4.590   4.545
  253    HB3  LYS  40           HB3      LYS  40   3.672  -3.207   5.466
  254    HG2  LYS  40           HG2      LYS  40   4.603  -4.711   7.470
  255    HG3  LYS  40           HG3      LYS  40   5.651  -5.272   6.163
  256    HD2  LYS  40           HD2      LYS  40   6.905  -3.480   6.686
  257    HD3  LYS  40           HD3      LYS  40   5.696  -2.586   5.762
  258    HE2  LYS  40           HE2      LYS  40   6.402  -1.935   8.263
  259    HE3  LYS  40           HE3      LYS  40   4.794  -1.632   7.606
  260    HZ1  LYS  40           HZ1      LYS  40   5.504  -4.093   9.107
  261    HZ2  LYS  40           HZ2      LYS  40   3.953  -3.556   8.670
  262    HZ3  LYS  40           HZ3      LYS  40   4.843  -2.712   9.842
  263    H    LYS  41           H        LYS  41   1.893  -7.003   7.206
  264    HA   LYS  41           HA       LYS  41   2.254  -5.766   9.818
  265    HB2  LYS  41           HB2      LYS  41  -0.191  -5.525   8.746
  266    HB3  LYS  41           HB3      LYS  41  -0.351  -7.143   9.412
  267    HG2  LYS  41           HG2      LYS  41  -0.834  -6.237  11.369
  268    HG3  LYS  41           HG3      LYS  41   0.808  -5.593  11.435
  269    HD2  LYS  41           HD2      LYS  41  -0.027  -3.533  11.325
  270    HD3  LYS  41           HD3      LYS  41  -0.662  -3.900   9.719
  271    HE2  LYS  41           HE2      LYS  41  -2.769  -4.328  10.496
  272    HE3  LYS  41           HE3      LYS  41  -2.196  -4.851  12.078
  273    HZ1  LYS  41           HZ1      LYS  41  -2.770  -2.863  12.821
  274    HZ2  LYS  41           HZ2      LYS  41  -3.098  -2.287  11.259
  275    HZ3  LYS  41           HZ3      LYS  41  -1.525  -2.185  11.891
  276    H    SER  42           H        SER  42   1.050  -8.584   8.050
  277    HA   SER  42           HA       SER  42   2.381 -10.337  10.004
  278    HB2  SER  42           HB2      SER  42   0.775 -11.683   7.977
  279    HB3  SER  42           HB3      SER  42   0.675 -11.789   9.735
  280    HG   SER  42           HG       SER  42  -0.473  -9.787   8.068
  281    H    GLY  43           H        GLY  43   3.711  -8.751   8.018
  282    HA2  GLY  43           HA2      GLY  43   5.764 -10.002   6.991
  283    HA3  GLY  43           HA3      GLY  43   4.503 -10.664   5.954
  284    H    LEU  44           H        LEU  44   6.672  -9.098   5.003
  285    HA   LEU  44           HA       LEU  44   5.699  -6.404   4.642
  286    HB2  LEU  44           HB2      LEU  44   7.960  -7.570   3.059
  287    HB3  LEU  44           HB3      LEU  44   7.734  -5.923   3.616
  288    HG   LEU  44           HG       LEU  44   8.271  -8.189   5.522
  289   HD11  LEU  44          HD11      LEU  44  10.618  -7.566   5.476
  290   HD12  LEU  44          HD12      LEU  44  10.090  -8.087   3.876
  291   HD13  LEU  44          HD13      LEU  44  10.294  -6.369   4.221
  292   HD21  LEU  44          HD21      LEU  44   7.389  -5.722   6.065
  293   HD22  LEU  44          HD22      LEU  44   8.492  -6.599   7.126
  294   HD23  LEU  44          HD23      LEU  44   9.122  -5.396   6.002
  295    H    ARG  45           H        ARG  45   4.722  -9.181   3.352
  296    HA   ARG  45           HA       ARG  45   3.619  -7.866   1.024
  297    HB2  ARG  45           HB2      ARG  45   4.287  -9.623  -0.547
  298    HB3  ARG  45           HB3      ARG  45   5.698  -8.814   0.121
  299    HG2  ARG  45           HG2      ARG  45   5.275 -10.944   1.836
  300    HG3  ARG  45           HG3      ARG  45   4.919 -11.603   0.239
  301    HD2  ARG  45           HD2      ARG  45   7.057 -11.333  -0.501
  302    HD3  ARG  45           HD3      ARG  45   7.349  -9.926   0.521
  303    HE   ARG  45           HE       ARG  45   7.252 -12.679   1.592
  304   HH11  ARG  45          HH12      ARG  45   8.799  -9.535   1.325
  305   HH12  ARG  45          HH11      ARG  45  10.019  -9.907   2.514
  306   HH21  ARG  45          HH22      ARG  45   8.851 -13.142   3.157
  307   HH22  ARG  45          HH21      ARG  45  10.027 -11.932   3.569
  308    H    VAL  46           H        VAL  46   1.911  -9.191   0.023
  309    HA   VAL  46           HA       VAL  46   0.880 -11.309   1.762
  310    HB   VAL  46           HB       VAL  46  -0.700  -8.904   0.828
  311   HG11  VAL  46          HG11      VAL  46  -2.719  -9.962   1.466
  312   HG12  VAL  46          HG12      VAL  46  -1.876 -11.098   0.413
  313   HG13  VAL  46          HG13      VAL  46  -1.862 -11.338   2.162
  314   HG21  VAL  46          HG21      VAL  46   0.237  -9.940   3.444
  315   HG22  VAL  46          HG22      VAL  46   0.052  -8.278   2.882
  316   HG23  VAL  46          HG23      VAL  46  -1.363  -9.198   3.394
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  11.122  25.837   1.556
    2    H2   GLY   1           H2       GLY   1  10.307  24.570   2.345
    3    H3   GLY   1           H3       GLY   1   9.424  25.781   1.556
    4    HA2  GLY   1           HA3      GLY   1  10.056  25.046  -0.561
    5    HA3  GLY   1           HA2      GLY   1  11.313  24.020   0.118
    6    H    SER   2           H        SER   2   9.650  22.852  -1.602
    7    HA   SER   2           HA       SER   2   7.827  21.295   0.116
    8    HB2  SER   2           HB2      SER   2   7.294  21.226  -2.776
    9    HB3  SER   2           HB3      SER   2   6.177  21.435  -1.430
   10    HG   SER   2           HG       SER   2   7.359  23.312  -3.028
   11    H    MET   3           H        MET   3   8.978  19.520   0.594
   12    HA   MET   3           HA       MET   3  10.802  18.361  -1.319
   13    HB2  MET   3           HB2      MET   3  11.659  17.139   0.425
   14    HB3  MET   3           HB3      MET   3  10.959  18.481   1.314
   15    HG2  MET   3           HG2      MET   3   9.667  17.107   2.462
   16    HG3  MET   3           HG3      MET   3   8.997  16.423   0.980
   17    HE1  MET   3           HE1      MET   3   9.931  13.738   3.593
   18    HE2  MET   3           HE2      MET   3   8.698  14.826   2.956
   19    HE3  MET   3           HE3      MET   3   9.148  13.382   2.051
   20    H    ALA   4           H        ALA   4  10.726  16.155  -2.032
   21    HA   ALA   4           HA       ALA   4   9.716  14.479  -3.180
   22    HB1  ALA   4           HB1      ALA   4   7.448  13.826  -1.698
   23    HB2  ALA   4           HB2      ALA   4   9.055  13.114  -1.553
   24    HB3  ALA   4           HB3      ALA   4   8.594  14.465  -0.518
   25    H    ALA   5           H        ALA   5   6.598  14.236  -2.660
   26    HA   ALA   5           HA       ALA   5   5.787  16.406  -4.457
   27    HB1  ALA   5           HB1      ALA   5   4.240  14.683  -5.555
   28    HB2  ALA   5           HB2      ALA   5   5.950  14.637  -5.985
   29    HB3  ALA   5           HB3      ALA   5   5.299  13.469  -4.838
   30    H    HIS   6           H        HIS   6   3.624  17.051  -4.237
   31    HA   HIS   6           HA       HIS   6   2.548  16.728  -1.607
   32    HB2  HIS   6           HB2      HIS   6   2.322  18.669  -3.484
   33    HB3  HIS   6           HB3      HIS   6   0.810  17.809  -3.757
   34    HD1  HIS   6           HD1      HIS   6  -0.574  19.798  -2.855
   35    HD2  HIS   6           HD2      HIS   6   2.099  18.186  -0.105
   36    HE1  HIS   6           HE1      HIS   6  -1.228  20.759  -0.625
   37    HE2  HIS   6           HE2      HIS   6   0.526  19.929   0.981
   38    H    SER   7           H        SER   7   1.498  15.754  -4.847
   39    HA   SER   7           HA       SER   7  -0.378  13.840  -3.662
   40    HB2  SER   7           HB2      SER   7  -0.686  13.620  -6.379
   41    HB3  SER   7           HB3      SER   7  -1.636  14.698  -5.351
   42    HG   SER   7           HG       SER   7   0.745  15.332  -6.785
   43    H    ALA   8           H        ALA   8   1.957  12.956  -3.028
   44    HA   ALA   8           HA       ALA   8   3.332  11.535  -5.108
   45    HB1  ALA   8           HB1      ALA   8   4.964  11.124  -3.563
   46    HB2  ALA   8           HB2      ALA   8   4.214  12.558  -2.860
   47    HB3  ALA   8           HB3      ALA   8   3.815  10.959  -2.235
   48    H    ASP   9           H        ASP   9   0.888  10.643  -5.336
   49    HA   ASP   9           HA       ASP   9   0.565   8.108  -3.900
   50    HB2  ASP   9           HB2      ASP   9  -1.304   9.857  -4.615
   51    HB3  ASP   9           HB3      ASP   9  -1.224   8.980  -6.139
   52    H    LEU  10           H        LEU  10   2.819   7.881  -5.173
   53    HA   LEU  10           HA       LEU  10   2.361   6.628  -7.775
   54    HB2  LEU  10           HB2      LEU  10   4.969   6.709  -6.267
   55    HB3  LEU  10           HB3      LEU  10   4.722   6.465  -7.986
   56    HG   LEU  10           HG       LEU  10   3.922   9.065  -6.735
   57   HD11  LEU  10          HD11      LEU  10   6.299   9.782  -7.548
   58   HD12  LEU  10          HD12      LEU  10   6.077   9.093  -5.939
   59   HD13  LEU  10          HD13      LEU  10   6.690   8.087  -7.251
   60   HD21  LEU  10          HD21      LEU  10   3.601   8.137  -9.220
   61   HD22  LEU  10          HD22      LEU  10   3.870   9.843  -8.858
   62   HD23  LEU  10          HD23      LEU  10   5.214   8.829  -9.382
   63    H    LYS  11           H        LYS  11   3.309   5.937  -4.480
   64    HA   LYS  11           HA       LYS  11   1.885   3.587  -4.350
   65    HB2  LYS  11           HB2      LYS  11   3.654   1.903  -4.117
   66    HB3  LYS  11           HB3      LYS  11   3.613   2.576  -5.737
   67    HG2  LYS  11           HG2      LYS  11   5.815   2.784  -5.504
   68    HG3  LYS  11           HG3      LYS  11   5.439   4.182  -4.492
   69    HD2  LYS  11           HD2      LYS  11   7.004   2.648  -3.388
   70    HD3  LYS  11           HD3      LYS  11   5.480   2.791  -2.510
   71    HE2  LYS  11           HE2      LYS  11   4.830   0.684  -3.949
   72    HE3  LYS  11           HE3      LYS  11   6.581   0.481  -4.037
   73    HZ1  LYS  11           HZ1      LYS  11   6.727  -0.029  -1.858
   74    HZ2  LYS  11           HZ2      LYS  11   5.107  -0.489  -2.055
   75    HZ3  LYS  11           HZ3      LYS  11   5.481   1.026  -1.398
   76    H    CYS  12           H        CYS  12   2.385   2.427  -2.305
   77    HA   CYS  12           HA       CYS  12   2.616   4.407  -0.219
   78    HB2  CYS  12           HB2      CYS  12   1.453   2.787   1.121
   79    HB3  CYS  12           HB3      CYS  12   0.708   2.779  -0.476
   80    HA   PRO  13           HA       PRO  13   6.343   2.851   1.739
   81    HB2  PRO  13           HB2      PRO  13   5.703   2.150   4.274
   82    HB3  PRO  13           HB3      PRO  13   5.728   3.829   3.734
   83    HG2  PRO  13           HG2      PRO  13   3.388   1.984   4.008
   84    HG3  PRO  13           HG3      PRO  13   3.556   3.664   4.557
   85    HD2  PRO  13           HD2      PRO  13   2.279   3.045   2.276
   86    HD3  PRO  13           HD3      PRO  13   3.250   4.523   2.432
   87    H    THR  14           H        THR  14   3.598   0.738   1.760
   88    HA   THR  14           HA       THR  14   4.913  -1.588   2.745
   89    HB   THR  14           HB       THR  14   2.316  -1.225   1.253
   90    HG1  THR  14           HG1      THR  14   1.490  -1.074   3.214
   91   HG21  THR  14          HG21      THR  14   1.787  -3.550   1.946
   92   HG22  THR  14          HG22      THR  14   3.465  -3.750   2.447
   93   HG23  THR  14          HG23      THR  14   3.081  -3.465   0.750
   94    HA   PRO  15           HA       PRO  15   7.205  -2.481  -0.988
   95    HB2  PRO  15           HB2      PRO  15   7.866  -4.954   0.488
   96    HB3  PRO  15           HB3      PRO  15   8.941  -3.720  -0.169
   97    HG2  PRO  15           HG2      PRO  15   8.565  -3.918   2.450
   98    HG3  PRO  15           HG3      PRO  15   8.684  -2.329   1.668
   99    HD2  PRO  15           HD2      PRO  15   6.232  -3.817   2.554
  100    HD3  PRO  15           HD3      PRO  15   6.647  -2.103   2.780
  101    H    GLY  16           H        GLY  16   5.019  -4.719   0.596
  102    HA2  GLY  16           HA2      GLY  16   4.975  -6.544  -1.619
  103    HA3  GLY  16           HA3      GLY  16   3.999  -6.651  -0.164
  104    H    CYS  17           H        CYS  17   3.457  -3.638  -1.025
  105    HA   CYS  17           HA       CYS  17   0.933  -4.233  -2.298
  106    HB2  CYS  17           HB2      CYS  17   2.231  -1.917  -1.012
  107    HB3  CYS  17           HB3      CYS  17   1.145  -1.524  -2.332
  108    H    ASP  18           H        ASP  18   0.288  -2.711  -4.094
  109    HA   ASP  18           HA       ASP  18   2.481  -2.292  -6.010
  110    HB2  ASP  18           HB2      ASP  18   1.175  -2.909  -7.802
  111    HB3  ASP  18           HB3      ASP  18   0.535  -3.996  -6.576
  112    H    GLY  19           H        GLY  19   0.212  -0.932  -3.989
  113    HA2  GLY  19           HA2      GLY  19   0.248   1.420  -3.589
  114    HA3  GLY  19           HA3      GLY  19   0.554   1.673  -5.300
  115    H    SER  20           H        SER  20  -1.600  -0.395  -5.884
  116    HA   SER  20           HA       SER  20  -3.796   1.527  -5.684
  117    HB2  SER  20           HB2      SER  20  -4.052  -0.856  -7.428
  118    HB3  SER  20           HB3      SER  20  -4.492   0.824  -7.741
  119    HG   SER  20           HG       SER  20  -2.032  -0.490  -8.087
  120    H    GLY  21           H        GLY  21  -5.889   0.876  -5.121
  121    HA2  GLY  21           HA2      GLY  21  -7.528  -0.615  -4.370
  122    HA3  GLY  21           HA3      GLY  21  -6.283  -1.828  -4.114
  123    H    HIS  22           H        HIS  22  -8.217  -1.506  -2.289
  124    HA   HIS  22           HA       HIS  22  -6.697  -0.662   0.054
  125    HB2  HIS  22           HB2      HIS  22  -9.257   0.547  -0.838
  126    HB3  HIS  22           HB3      HIS  22  -9.167   0.109   0.860
  127    HD1  HIS  22           HD1      HIS  22  -8.531   2.004   2.250
  128    HD2  HIS  22           HD2      HIS  22  -6.743   2.213  -1.493
  129    HE1  HIS  22           HE1      HIS  22  -7.220   4.136   2.249
  130    HE2  HIS  22           HE2      HIS  22  -6.340   4.355  -0.096
  131    H    ILE  23           H        ILE  23  -7.594  -1.584   2.047
  132    HA   ILE  23           HA       ILE  23  -8.584  -4.252   1.720
  133    HB   ILE  23           HB       ILE  23  -7.708  -2.541   3.956
  134   HG12  ILE  23          HG12      ILE  23  -6.241  -4.244   3.199
  135   HG13  ILE  23          HG13      ILE  23  -6.855  -4.787   4.756
  136   HG21  ILE  23          HG21      ILE  23 -10.016  -4.399   4.282
  137   HG22  ILE  23          HG22      ILE  23  -8.838  -4.233   5.585
  138   HG23  ILE  23          HG23      ILE  23  -9.726  -2.820   5.011
  139   HD11  ILE  23          HD11      ILE  23  -6.933  -6.112   2.254
  140   HD12  ILE  23          HD12      ILE  23  -7.505  -6.677   3.823
  141   HD13  ILE  23          HD13      ILE  23  -8.589  -5.781   2.757
  142    H    THR  24           H        THR  24  -9.903  -1.106   2.534
  143    HA   THR  24           HA       THR  24 -12.517  -1.976   3.196
  144    HB   THR  24           HB       THR  24 -11.557   0.237   3.840
  145    HG1  THR  24           HG1      THR  24 -13.917  -0.298   3.664
  146   HG21  THR  24          HG21      THR  24 -10.544   0.793   1.663
  147   HG22  THR  24          HG22      THR  24 -11.599   2.074   2.259
  148   HG23  THR  24          HG23      THR  24 -12.158   0.993   0.982
  149    H    GLY  25           H        GLY  25 -10.898  -1.681   0.197
  150    HA2  GLY  25           HA2      GLY  25 -11.584  -1.964  -1.976
  151    HA3  GLY  25           HA3      GLY  25 -13.002  -2.755  -1.303
  152    H    ASN  26           H        ASN  26 -12.127   0.540  -0.622
  153    HA   ASN  26           HA       ASN  26 -14.513   1.445  -2.089
  154    HB2  ASN  26           HB2      ASN  26 -13.575   1.911   0.702
  155    HB3  ASN  26           HB3      ASN  26 -14.418   3.226  -0.104
  156   HD21  ASN  26          HD21      ASN  26 -14.945   1.040   2.062
  157   HD22  ASN  26          HD22      ASN  26 -16.566   0.559   1.696
  158    H    TYR  27           H        TYR  27 -11.387   1.536  -2.412
  159    HA   TYR  27           HA       TYR  27 -11.329   4.320  -3.318
  160    HB2  TYR  27           HB2      TYR  27  -9.260   2.879  -1.663
  161    HB3  TYR  27           HB3      TYR  27  -8.869   4.286  -2.626
  162    HD1  TYR  27           HD2      TYR  27 -11.032   3.121   0.163
  163    HD2  TYR  27           HD1      TYR  27  -9.249   6.454  -1.798
  164    HE1  TYR  27           HE2      TYR  27 -11.736   4.582   2.012
  165    HE2  TYR  27           HE1      TYR  27  -9.937   7.917   0.053
  166    HH   TYR  27           HH       TYR  27 -11.934   7.779   1.865
  167    H    ALA  28           H        ALA  28  -9.349   4.617  -4.798
  168    HA   ALA  28           HA       ALA  28  -9.255   2.316  -6.613
  169    HB1  ALA  28           HB1      ALA  28  -9.205   3.774  -8.305
  170    HB2  ALA  28           HB2      ALA  28  -9.653   4.992  -7.109
  171    HB3  ALA  28           HB3      ALA  28  -7.958   4.755  -7.535
  172    H    SER  29           H        SER  29  -7.218   4.460  -4.705
  173    HA   SER  29           HA       SER  29  -5.100   2.513  -4.707
  174    HB2  SER  29           HB2      SER  29  -3.615   4.726  -5.458
  175    HB3  SER  29           HB3      SER  29  -3.992   3.343  -6.484
  176    HG   SER  29           HG       SER  29  -4.532   5.484  -7.338
  177    H    HIS  30           H        HIS  30  -3.089   3.601  -3.578
  178    HA   HIS  30           HA       HIS  30  -3.753   5.659  -1.667
  179    HB2  HIS  30           HB2      HIS  30  -3.395   4.290   0.297
  180    HB3  HIS  30           HB3      HIS  30  -4.703   3.599  -0.647
  181    HD1  HIS  30           HD1      HIS  30  -4.028   1.380  -2.073
  182    HD2  HIS  30           HD2      HIS  30  -1.336   2.626   0.846
  183    HE1  HIS  30           HE1      HIS  30  -2.437  -0.557  -1.689
  184    H    ARG  31           H        ARG  31  -1.831   6.103  -0.224
  185    HA   ARG  31           HA       ARG  31   0.679   5.075  -1.312
  186    HB2  ARG  31           HB2      ARG  31   1.650   7.422  -1.169
  187    HB3  ARG  31           HB3      ARG  31   0.577   7.094  -2.512
  188    HG2  ARG  31           HG2      ARG  31  -0.297   9.070  -1.917
  189    HG3  ARG  31           HG3      ARG  31  -1.204   8.070  -0.780
  190    HD2  ARG  31           HD2      ARG  31  -0.085  10.142   0.166
  191    HD3  ARG  31           HD3      ARG  31   0.210   8.616   0.994
  192    HE   ARG  31           HE       ARG  31   2.379   8.575  -0.280
  193   HH11  ARG  31          HH12      ARG  31   0.749  11.603   0.382
  194   HH12  ARG  31          HH11      ARG  31   2.227  12.515   0.533
  195   HH21  ARG  31          HH22      ARG  31   4.318   9.763  -0.122
  196   HH22  ARG  31          HH21      ARG  31   4.267  11.468   0.228
  197    H    SER  32           H        SER  32  -1.070   4.992   1.203
  198    HA   SER  32           HA       SER  32   1.177   5.223   3.044
  199    HB2  SER  32           HB2      SER  32  -1.227   6.067   4.390
  200    HB3  SER  32           HB3      SER  32   0.325   6.886   4.280
  201    HG   SER  32           HG       SER  32  -1.691   7.905   3.325
  202    H    LEU  33           H        LEU  33   0.843   3.989   5.039
  203    HA   LEU  33           HA       LEU  33  -0.383   1.486   4.466
  204    HB2  LEU  33           HB2      LEU  33   1.485   2.586   6.369
  205    HB3  LEU  33           HB3      LEU  33   0.338   1.526   7.166
  206    HG   LEU  33           HG       LEU  33   1.741   0.614   4.693
  207   HD11  LEU  33          HD11      LEU  33   3.485   1.462   6.201
  208   HD12  LEU  33          HD12      LEU  33   2.851   0.436   7.489
  209   HD13  LEU  33          HD13      LEU  33   3.541  -0.295   6.039
  210   HD21  LEU  33          HD21      LEU  33   0.065  -0.873   5.334
  211   HD22  LEU  33          HD22      LEU  33   1.522  -1.564   6.050
  212   HD23  LEU  33          HD23      LEU  33   0.395  -0.652   7.052
  213    H    SER  34           H        SER  34  -2.297   3.657   4.694
  214    HA   SER  34           HA       SER  34  -3.737   3.050   7.157
  215    HB2  SER  34           HB2      SER  34  -5.204   4.830   5.494
  216    HB3  SER  34           HB3      SER  34  -4.345   5.205   6.990
  217    HG   SER  34           HG       SER  34  -2.954   6.251   5.821
  218    H    GLY  35           H        GLY  35  -3.719   2.326   3.787
  219    HA2  GLY  35           HA2      GLY  35  -6.176   0.748   4.142
  220    HA3  GLY  35           HA3      GLY  35  -6.043   1.857   2.793
  221    H    CYS  36           H        CYS  36  -3.293   0.053   3.929
  222    HA   CYS  36           HA       CYS  36  -2.721  -1.035   1.407
  223    HB2  CYS  36           HB2      CYS  36  -1.749  -1.628   4.191
  224    HB3  CYS  36           HB3      CYS  36  -1.207  -2.594   2.821
  225    HA   PRO  37           HA       PRO  37  -5.566  -4.517   1.670
  226    HB2  PRO  37           HB2      PRO  37  -5.402  -5.230  -0.914
  227    HB3  PRO  37           HB3      PRO  37  -6.341  -3.827  -0.395
  228    HG2  PRO  37           HG2      PRO  37  -3.643  -3.941  -1.654
  229    HG3  PRO  37           HG3      PRO  37  -4.953  -2.774  -1.906
  230    HD2  PRO  37           HD2      PRO  37  -2.735  -2.351  -0.298
  231    HD3  PRO  37           HD3      PRO  37  -4.271  -1.475  -0.167
  232    H    ARG  38           H        ARG  38  -2.258  -4.302   1.066
  233    HA   ARG  38           HA       ARG  38  -1.967  -7.203   1.456
  234    HB2  ARG  38           HB2      ARG  38  -0.447  -5.409  -0.421
  235    HB3  ARG  38           HB3      ARG  38   0.270  -6.887   0.202
  236    HG2  ARG  38           HG2      ARG  38  -0.869  -8.134  -1.247
  237    HG3  ARG  38           HG3      ARG  38  -2.390  -7.315  -0.871
  238    HD2  ARG  38           HD2      ARG  38  -0.691  -5.526  -2.297
  239    HD3  ARG  38           HD3      ARG  38  -0.779  -7.048  -3.174
  240    HE   ARG  38           HE       ARG  38  -3.375  -6.496  -2.544
  241   HH11  ARG  38          HH12      ARG  38  -0.822  -4.849  -4.278
  242   HH12  ARG  38          HH11      ARG  38  -1.908  -3.871  -5.225
  243   HH21  ARG  38          HH22      ARG  38  -4.823  -5.257  -3.834
  244   HH22  ARG  38          HH21      ARG  38  -4.177  -4.128  -4.993
  245    H    ALA  39           H        ALA  39  -2.151  -5.330   3.491
  246    HA   ALA  39           HA       ALA  39   0.258  -4.237   4.394
  247    HB1  ALA  39           HB1      ALA  39  -1.411  -3.420   5.684
  248    HB2  ALA  39           HB2      ALA  39  -2.350  -4.910   5.595
  249    HB3  ALA  39           HB3      ALA  39  -0.998  -4.788   6.718
  250    H    LYS  40           H        LYS  40   1.843  -4.989   5.745
  251    HA   LYS  40           HA       LYS  40   2.789  -7.528   5.310
  252    HB2  LYS  40           HB2      LYS  40   3.438  -5.370   7.236
  253    HB3  LYS  40           HB3      LYS  40   4.080  -6.968   7.591
  254    HG2  LYS  40           HG2      LYS  40   5.714  -6.657   6.135
  255    HG3  LYS  40           HG3      LYS  40   4.542  -6.397   4.842
  256    HD2  LYS  40           HD2      LYS  40   5.113  -4.175   6.748
  257    HD3  LYS  40           HD3      LYS  40   6.281  -4.536   5.475
  258    HE2  LYS  40           HE2      LYS  40   4.936  -3.761   3.844
  259    HE3  LYS  40           HE3      LYS  40   3.481  -4.407   4.601
  260    HZ1  LYS  40           HZ1      LYS  40   4.845  -1.841   5.117
  261    HZ2  LYS  40           HZ2      LYS  40   3.806  -2.519   6.272
  262    HZ3  LYS  40           HZ3      LYS  40   3.217  -2.122   4.731
  263    H    LYS  41           H        LYS  41   1.513  -9.231   5.716
  264    HA   LYS  41           HA       LYS  41   0.351  -9.602   8.366
  265    HB2  LYS  41           HB2      LYS  41   0.017 -10.862   5.692
  266    HB3  LYS  41           HB3      LYS  41  -0.250 -11.887   7.094
  267    HG2  LYS  41           HG2      LYS  41  -2.328 -11.117   7.119
  268    HG3  LYS  41           HG3      LYS  41  -1.662  -9.582   7.682
  269    HD2  LYS  41           HD2      LYS  41  -1.335  -8.970   5.261
  270    HD3  LYS  41           HD3      LYS  41  -2.287 -10.398   4.854
  271    HE2  LYS  41           HE2      LYS  41  -4.074  -9.434   6.404
  272    HE3  LYS  41           HE3      LYS  41  -3.152  -7.933   6.333
  273    HZ1  LYS  41           HZ1      LYS  41  -3.526  -8.920   3.717
  274    HZ2  LYS  41           HZ2      LYS  41  -4.079  -7.464   4.395
  275    HZ3  LYS  41           HZ3      LYS  41  -5.032  -8.863   4.503
  276    H    SER  42           H        SER  42   0.568 -12.313   8.721
  277    HA   SER  42           HA       SER  42   3.205 -12.659   9.674
  278    HB2  SER  42           HB2      SER  42   1.776 -15.154   9.204
  279    HB3  SER  42           HB3      SER  42   2.289 -14.423  10.727
  280    HG   SER  42           HG       SER  42   0.398 -13.420  10.928
  281    H    GLY  43           H        GLY  43   1.501 -13.712   6.779
  282    HA2  GLY  43           HA2      GLY  43   4.108 -14.516   5.634
  283    HA3  GLY  43           HA3      GLY  43   2.578 -15.246   5.161
  284    H    LEU  44           H        LEU  44   4.368 -12.192   5.176
  285    HA   LEU  44           HA       LEU  44   2.640 -10.699   3.583
  286    HB2  LEU  44           HB2      LEU  44   5.121  -9.789   2.826
  287    HB3  LEU  44           HB3      LEU  44   4.186  -9.214   4.190
  288    HG   LEU  44           HG       LEU  44   5.659 -11.521   5.015
  289   HD11  LEU  44          HD11      LEU  44   7.900 -10.915   4.602
  290   HD12  LEU  44          HD12      LEU  44   7.086 -10.843   3.039
  291   HD13  LEU  44          HD13      LEU  44   7.434  -9.357   3.921
  292   HD21  LEU  44          HD21      LEU  44   6.645  -9.857   6.575
  293   HD22  LEU  44          HD22      LEU  44   5.804  -8.588   5.685
  294   HD23  LEU  44          HD23      LEU  44   4.882  -9.834   6.527
  295    H    ARG  45           H        ARG  45   5.090 -13.024   2.703
  296    HA   ARG  45           HA       ARG  45   4.093 -12.888  -0.060
  297    HB2  ARG  45           HB2      ARG  45   6.424 -14.319  -0.292
  298    HB3  ARG  45           HB3      ARG  45   6.243 -12.617  -0.688
  299    HG2  ARG  45           HG2      ARG  45   8.093 -12.554   0.641
  300    HG3  ARG  45           HG3      ARG  45   6.826 -12.276   1.838
  301    HD2  ARG  45           HD2      ARG  45   6.893 -14.925   1.963
  302    HD3  ARG  45           HD3      ARG  45   8.541 -14.660   1.392
  303    HE   ARG  45           HE       ARG  45   8.828 -13.187   3.366
  304   HH11  ARG  45          HH12      ARG  45   6.387 -15.720   3.394
  305   HH12  ARG  45          HH11      ARG  45   6.310 -15.781   5.133
  306   HH21  ARG  45          HH22      ARG  45   8.690 -13.262   5.647
  307   HH22  ARG  45          HH21      ARG  45   7.602 -14.398   6.399
  308    H    VAL  46           H        VAL  46   3.819 -14.969  -1.079
  309    HA   VAL  46           HA       VAL  46   2.915 -16.944   0.828
  310    HB   VAL  46           HB       VAL  46   2.531 -18.154  -1.563
  311   HG11  VAL  46          HG11      VAL  46   0.421 -16.232  -1.087
  312   HG12  VAL  46          HG12      VAL  46   0.413 -17.984  -0.898
  313   HG13  VAL  46          HG13      VAL  46   0.993 -16.959   0.415
  314   HG21  VAL  46          HG21      VAL  46   1.975 -16.635  -3.271
  315   HG22  VAL  46          HG22      VAL  46   2.066 -15.250  -2.182
  316   HG23  VAL  46          HG23      VAL  46   3.539 -16.093  -2.664
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  13.929  11.489 -16.088
    2    H2   GLY   1           H2       GLY   1  14.690  13.003 -16.130
    3    H3   GLY   1           H3       GLY   1  14.220  12.250 -17.575
    4    HA2  GLY   1           HA3      GLY   1  12.774  14.135 -16.646
    5    HA3  GLY   1           HA2      GLY   1  12.004  12.687 -17.279
    6    H    SER   2           H        SER   2  10.164  12.891 -16.016
    7    HA   SER   2           HA       SER   2  10.474  12.949 -13.124
    8    HB2  SER   2           HB2      SER   2   7.760  12.604 -14.159
    9    HB3  SER   2           HB3      SER   2   8.407  13.844 -13.086
   10    HG   SER   2           HG       SER   2   9.153  14.978 -14.868
   11    H    MET   3           H        MET   3  11.255  10.996 -12.524
   12    HA   MET   3           HA       MET   3  11.168   8.860 -11.789
   13    HB2  MET   3           HB2      MET   3   8.750   9.503 -11.296
   14    HB3  MET   3           HB3      MET   3   8.329   8.667 -12.785
   15    HG2  MET   3           HG2      MET   3   9.972   6.942 -11.245
   16    HG3  MET   3           HG3      MET   3   8.720   7.596 -10.190
   17    HE1  MET   3           HE1      MET   3   5.844   7.573 -12.142
   18    HE2  MET   3           HE2      MET   3   5.562   6.175 -11.104
   19    HE3  MET   3           HE3      MET   3   6.443   7.570 -10.483
   20    H    ALA   4           H        ALA   4   8.814   8.165 -14.297
   21    HA   ALA   4           HA       ALA   4   8.843   6.836 -16.131
   22    HB1  ALA   4           HB1      ALA   4  10.556   6.983 -17.658
   23    HB2  ALA   4           HB2      ALA   4  10.797   8.457 -16.721
   24    HB3  ALA   4           HB3      ALA   4  11.806   7.043 -16.416
   25    H    ALA   5           H        ALA   5  12.108   5.935 -15.201
   26    HA   ALA   5           HA       ALA   5  11.066   3.365 -14.216
   27    HB1  ALA   5           HB1      ALA   5  12.562   2.180 -15.402
   28    HB2  ALA   5           HB2      ALA   5  12.642   3.617 -16.422
   29    HB3  ALA   5           HB3      ALA   5  13.844   3.365 -15.156
   30    H    HIS   6           H        HIS   6  10.948   4.483 -12.173
   31    HA   HIS   6           HA       HIS   6  13.466   4.386 -10.724
   32    HB2  HIS   6           HB2      HIS   6  12.637   6.821 -11.680
   33    HB3  HIS   6           HB3      HIS   6  11.932   6.799 -10.067
   34    HD1  HIS   6           HD1      HIS   6  14.979   4.890  -9.944
   35    HD2  HIS   6           HD2      HIS   6  14.017   8.941  -9.894
   36    HE1  HIS   6           HE1      HIS   6  17.007   6.063  -9.029
   37    HE2  HIS   6           HE2      HIS   6  16.351   8.492  -8.872
   38    H    SER   7           H        SER   7  12.913   2.935  -9.237
   39    HA   SER   7           HA       SER   7  10.247   2.852  -8.125
   40    HB2  SER   7           HB2      SER   7  12.316   1.184  -6.866
   41    HB3  SER   7           HB3      SER   7  10.766   0.718  -7.571
   42    HG   SER   7           HG       SER   7  11.905   1.189  -9.671
   43    H    ALA   8           H        ALA   8  10.119   4.842  -7.052
   44    HA   ALA   8           HA       ALA   8  11.842   5.113  -4.676
   45    HB1  ALA   8           HB1      ALA   8  11.729   7.430  -4.863
   46    HB2  ALA   8           HB2      ALA   8  11.830   6.902  -6.544
   47    HB3  ALA   8           HB3      ALA   8  10.275   7.377  -5.860
   48    H    ASP   9           H        ASP   9  10.073   7.221  -3.618
   49    HA   ASP   9           HA       ASP   9   7.942   5.485  -2.545
   50    HB2  ASP   9           HB2      ASP   9   9.666   6.582  -0.997
   51    HB3  ASP   9           HB3      ASP   9   8.871   8.106  -1.368
   52    H    LEU  10           H        LEU  10   6.939   6.001  -4.694
   53    HA   LEU  10           HA       LEU  10   5.542   8.588  -4.686
   54    HB2  LEU  10           HB2      LEU  10   5.462   6.440  -6.807
   55    HB3  LEU  10           HB3      LEU  10   4.892   8.093  -6.950
   56    HG   LEU  10           HG       LEU  10   7.651   8.184  -6.263
   57   HD11  LEU  10          HD11      LEU  10   8.739   6.781  -7.679
   58   HD12  LEU  10          HD12      LEU  10   7.315   5.788  -7.370
   59   HD13  LEU  10          HD13      LEU  10   7.416   6.750  -8.845
   60   HD21  LEU  10          HD21      LEU  10   6.785   8.714  -9.036
   61   HD22  LEU  10          HD22      LEU  10   5.942   9.603  -7.768
   62   HD23  LEU  10          HD23      LEU  10   7.695   9.727  -7.915
   63    H    LYS  11           H        LYS  11   5.204   5.170  -4.350
   64    HA   LYS  11           HA       LYS  11   2.326   5.416  -3.876
   65    HB2  LYS  11           HB2      LYS  11   2.200   3.032  -4.107
   66    HB3  LYS  11           HB3      LYS  11   3.137   3.654  -5.449
   67    HG2  LYS  11           HG2      LYS  11   5.102   2.733  -4.696
   68    HG3  LYS  11           HG3      LYS  11   4.561   2.683  -3.017
   69    HD2  LYS  11           HD2      LYS  11   2.780   1.005  -3.995
   70    HD3  LYS  11           HD3      LYS  11   3.995   0.800  -5.256
   71    HE2  LYS  11           HE2      LYS  11   4.420  -0.869  -3.633
   72    HE3  LYS  11           HE3      LYS  11   5.665   0.361  -3.426
   73    HZ1  LYS  11           HZ1      LYS  11   3.203   0.507  -1.811
   74    HZ2  LYS  11           HZ2      LYS  11   4.761   1.074  -1.456
   75    HZ3  LYS  11           HZ3      LYS  11   4.427  -0.584  -1.378
   76    H    CYS  12           H        CYS  12   2.342   3.059  -2.187
   77    HA   CYS  12           HA       CYS  12   2.706   4.404   0.302
   78    HB2  CYS  12           HB2      CYS  12   1.737   2.253   1.194
   79    HB3  CYS  12           HB3      CYS  12   0.746   3.093   0.010
   80    HA   PRO  13           HA       PRO  13   6.483   2.623   1.724
   81    HB2  PRO  13           HB2      PRO  13   5.344   1.734   4.269
   82    HB3  PRO  13           HB3      PRO  13   6.458   3.058   3.951
   83    HG2  PRO  13           HG2      PRO  13   3.918   3.491   4.704
   84    HG3  PRO  13           HG3      PRO  13   4.777   4.579   3.598
   85    HD2  PRO  13           HD2      PRO  13   2.793   2.428   2.971
   86    HD3  PRO  13           HD3      PRO  13   2.914   4.073   2.309
   87    H    THR  14           H        THR  14   3.712   0.506   2.207
   88    HA   THR  14           HA       THR  14   4.985  -1.827   2.978
   89    HB   THR  14           HB       THR  14   2.587  -1.862   1.171
   90    HG1  THR  14           HG1      THR  14   1.381  -0.957   2.721
   91   HG21  THR  14          HG21      THR  14   2.620  -3.395   3.672
   92   HG22  THR  14          HG22      THR  14   3.887  -3.852   2.534
   93   HG23  THR  14          HG23      THR  14   2.196  -3.906   2.039
   94    HA   PRO  15           HA       PRO  15   7.335  -2.792  -0.695
   95    HB2  PRO  15           HB2      PRO  15   7.905  -5.299   0.755
   96    HB3  PRO  15           HB3      PRO  15   9.021  -4.068   0.161
   97    HG2  PRO  15           HG2      PRO  15   8.542  -4.323   2.760
   98    HG3  PRO  15           HG3      PRO  15   8.741  -2.724   2.018
   99    HD2  PRO  15           HD2      PRO  15   6.209  -4.145   2.788
  100    HD3  PRO  15           HD3      PRO  15   6.672  -2.449   3.061
  101    H    GLY  16           H        GLY  16   5.223  -5.193   0.850
  102    HA2  GLY  16           HA2      GLY  16   5.096  -6.791  -1.541
  103    HA3  GLY  16           HA3      GLY  16   4.247  -7.097  -0.037
  104    H    CYS  17           H        CYS  17   3.631  -3.976  -0.737
  105    HA   CYS  17           HA       CYS  17   1.058  -4.635  -1.956
  106    HB2  CYS  17           HB2      CYS  17   1.150  -3.362   0.189
  107    HB3  CYS  17           HB3      CYS  17   1.979  -2.067  -0.656
  108    H    ASP  18           H        ASP  18   0.221  -3.195  -3.629
  109    HA   ASP  18           HA       ASP  18   2.384  -2.375  -5.435
  110    HB2  ASP  18           HB2      ASP  18   1.080  -2.968  -7.232
  111    HB3  ASP  18           HB3      ASP  18   0.456  -4.092  -6.028
  112    H    GLY  19           H        GLY  19  -0.039  -1.132  -3.428
  113    HA2  GLY  19           HA2      GLY  19  -0.125   1.160  -2.876
  114    HA3  GLY  19           HA3      GLY  19   0.534   1.547  -4.455
  115    H    SER  20           H        SER  20  -1.830  -0.627  -5.094
  116    HA   SER  20           HA       SER  20  -3.818   1.529  -5.409
  117    HB2  SER  20           HB2      SER  20  -4.009  -0.903  -7.100
  118    HB3  SER  20           HB3      SER  20  -4.348   0.781  -7.501
  119    HG   SER  20           HG       SER  20  -1.948  -0.639  -7.579
  120    H    GLY  21           H        GLY  21  -6.056   0.936  -5.291
  121    HA2  GLY  21           HA2      GLY  21  -7.875  -0.199  -4.452
  122    HA3  GLY  21           HA3      GLY  21  -6.848  -1.612  -4.266
  123    H    HIS  22           H        HIS  22  -8.499  -1.466  -2.358
  124    HA   HIS  22           HA       HIS  22  -6.883  -0.698  -0.056
  125    HB2  HIS  22           HB2      HIS  22  -9.559   0.453  -0.679
  126    HB3  HIS  22           HB3      HIS  22  -9.286  -0.057   0.980
  127    HD1  HIS  22           HD1      HIS  22  -8.732   1.895   2.349
  128    HD2  HIS  22           HD2      HIS  22  -7.059   2.179  -1.450
  129    HE1  HIS  22           HE1      HIS  22  -7.457   4.053   2.329
  130    HE2  HIS  22           HE2      HIS  22  -6.683   4.324  -0.051
  131    H    ILE  23           H        ILE  23  -7.581  -1.845   1.898
  132    HA   ILE  23           HA       ILE  23  -8.554  -4.500   1.351
  133    HB   ILE  23           HB       ILE  23  -7.376  -3.114   3.617
  134   HG12  ILE  23          HG12      ILE  23  -6.219  -4.935   2.654
  135   HG13  ILE  23          HG13      ILE  23  -6.786  -5.520   4.214
  136   HG21  ILE  23          HG21      ILE  23  -9.867  -3.542   4.316
  137   HG22  ILE  23          HG22      ILE  23  -9.292  -5.193   4.549
  138   HG23  ILE  23          HG23      ILE  23  -8.542  -3.862   5.434
  139   HD11  ILE  23          HD11      ILE  23  -7.374  -7.295   2.948
  140   HD12  ILE  23          HD12      ILE  23  -8.828  -6.326   2.712
  141   HD13  ILE  23          HD13      ILE  23  -7.563  -6.330   1.484
  142    H    THR  24           H        THR  24  -9.825  -1.469   2.446
  143    HA   THR  24           HA       THR  24 -12.413  -2.448   3.170
  144    HB   THR  24           HB       THR  24 -11.071  -0.159   3.710
  145    HG1  THR  24           HG1      THR  24 -12.743  -0.762   4.988
  146   HG21  THR  24          HG21      THR  24 -12.097   1.727   2.666
  147   HG22  THR  24          HG22      THR  24 -13.223   0.697   1.782
  148   HG23  THR  24          HG23      THR  24 -11.504   0.667   1.384
  149    H    GLY  25           H        GLY  25 -10.858  -1.663   0.217
  150    HA2  GLY  25           HA2      GLY  25 -11.569  -2.119  -1.918
  151    HA3  GLY  25           HA3      GLY  25 -13.122  -2.583  -1.252
  152    H    ASN  26           H        ASN  26 -13.112   0.254   0.010
  153    HA   ASN  26           HA       ASN  26 -14.789   1.319  -2.020
  154    HB2  ASN  26           HB2      ASN  26 -14.070   2.047   0.763
  155    HB3  ASN  26           HB3      ASN  26 -14.721   3.330  -0.251
  156   HD21  ASN  26          HD21      ASN  26 -15.558   1.135   1.947
  157   HD22  ASN  26          HD22      ASN  26 -17.182   0.781   1.462
  158    H    TYR  27           H        TYR  27 -11.514   1.498  -1.845
  159    HA   TYR  27           HA       TYR  27 -11.485   4.111  -3.181
  160    HB2  TYR  27           HB2      TYR  27  -9.401   2.933  -1.340
  161    HB3  TYR  27           HB3      TYR  27  -9.185   4.393  -2.280
  162    HD1  TYR  27           HD1      TYR  27 -11.191   2.890   0.456
  163    HD2  TYR  27           HD2      TYR  27  -9.990   6.472  -1.509
  164    HE1  TYR  27           HE1      TYR  27 -12.203   4.216   2.261
  165    HE2  TYR  27           HE2      TYR  27 -10.992   7.806   0.298
  166    HH   TYR  27           HH       TYR  27 -12.862   7.467   2.009
  167    H    ALA  28           H        ALA  28  -9.943   4.365  -4.847
  168    HA   ALA  28           HA       ALA  28  -9.556   1.894  -6.311
  169    HB1  ALA  28           HB1      ALA  28 -10.241   4.451  -7.047
  170    HB2  ALA  28           HB2      ALA  28  -8.567   4.312  -7.588
  171    HB3  ALA  28           HB3      ALA  28  -9.771   3.147  -8.139
  172    H    SER  29           H        SER  29  -7.605   4.263  -4.641
  173    HA   SER  29           HA       SER  29  -5.306   2.545  -4.756
  174    HB2  SER  29           HB2      SER  29  -4.145   4.896  -5.730
  175    HB3  SER  29           HB3      SER  29  -4.352   3.382  -6.610
  176    HG   SER  29           HG       SER  29  -6.049   4.187  -7.654
  177    H    HIS  30           H        HIS  30  -3.347   3.755  -3.756
  178    HA   HIS  30           HA       HIS  30  -4.056   5.903  -1.959
  179    HB2  HIS  30           HB2      HIS  30  -3.309   4.646   0.050
  180    HB3  HIS  30           HB3      HIS  30  -4.803   4.027  -0.631
  181    HD1  HIS  30           HD1      HIS  30  -4.606   1.666  -1.929
  182    HD2  HIS  30           HD2      HIS  30  -1.251   2.893   0.208
  183    HE1  HIS  30           HE1      HIS  30  -3.079  -0.353  -1.748
  184    H    ARG  31           H        ARG  31  -1.890   5.930  -0.304
  185    HA   ARG  31           HA       ARG  31   0.521   5.454  -1.840
  186    HB2  ARG  31           HB2      ARG  31   1.183   7.902  -1.638
  187    HB3  ARG  31           HB3      ARG  31  -0.012   7.512  -2.864
  188    HG2  ARG  31           HG2      ARG  31  -1.368   9.021  -1.998
  189    HG3  ARG  31           HG3      ARG  31  -1.426   8.095  -0.500
  190    HD2  ARG  31           HD2      ARG  31  -0.386  10.654  -0.874
  191    HD3  ARG  31           HD3      ARG  31  -0.262   9.654   0.570
  192    HE   ARG  31           HE       ARG  31   1.837   8.754  -0.597
  193   HH11  ARG  31          HH12      ARG  31   0.643  12.032  -0.905
  194   HH12  ARG  31          HH11      ARG  31   2.219  12.717  -1.174
  195   HH21  ARG  31          HH22      ARG  31   3.914   9.639  -0.934
  196   HH22  ARG  31          HH21      ARG  31   4.089  11.358  -1.151
  197    H    SER  32           H        SER  32  -0.885   5.133   0.950
  198    HA   SER  32           HA       SER  32   1.596   5.428   2.435
  199    HB2  SER  32           HB2      SER  32  -0.575   6.340   4.104
  200    HB3  SER  32           HB3      SER  32   0.974   7.107   3.775
  201    HG   SER  32           HG       SER  32  -1.296   7.218   2.060
  202    H    LEU  33           H        LEU  33   1.493   4.328   4.579
  203    HA   LEU  33           HA       LEU  33   0.210   1.804   4.297
  204    HB2  LEU  33           HB2      LEU  33   2.254   3.000   5.939
  205    HB3  LEU  33           HB3      LEU  33   1.153   2.059   6.928
  206    HG   LEU  33           HG       LEU  33   2.386   0.917   4.447
  207   HD11  LEU  33          HD11      LEU  33   3.534   0.662   7.216
  208   HD12  LEU  33          HD12      LEU  33   4.212   0.064   5.701
  209   HD13  LEU  33          HD13      LEU  33   4.142   1.799   6.011
  210   HD21  LEU  33          HD21      LEU  33   1.578  -0.520   6.951
  211   HD22  LEU  33          HD22      LEU  33   0.388  -0.103   5.717
  212   HD23  LEU  33          HD23      LEU  33   1.747  -1.153   5.313
  213    H    SER  34           H        SER  34  -1.976   2.782   4.187
  214    HA   SER  34           HA       SER  34  -3.157   2.795   6.872
  215    HB2  SER  34           HB2      SER  34  -4.781   4.472   5.314
  216    HB3  SER  34           HB3      SER  34  -3.724   4.955   6.642
  217    HG   SER  34           HG       SER  34  -2.306   5.717   5.264
  218    H    GLY  35           H        GLY  35  -3.962   2.778   3.402
  219    HA2  GLY  35           HA2      GLY  35  -5.982   0.718   3.997
  220    HA3  GLY  35           HA3      GLY  35  -6.131   1.899   2.704
  221    H    CYS  36           H        CYS  36  -3.290  -0.007   3.577
  222    HA   CYS  36           HA       CYS  36  -2.859  -0.889   0.900
  223    HB2  CYS  36           HB2      CYS  36  -1.665  -1.585   3.579
  224    HB3  CYS  36           HB3      CYS  36  -1.236  -2.496   2.134
  225    HA   PRO  37           HA       PRO  37  -5.698  -4.384   1.356
  226    HB2  PRO  37           HB2      PRO  37  -5.696  -5.144  -1.216
  227    HB3  PRO  37           HB3      PRO  37  -6.575  -3.700  -0.689
  228    HG2  PRO  37           HG2      PRO  37  -3.898  -3.913  -2.019
  229    HG3  PRO  37           HG3      PRO  37  -5.222  -2.771  -2.336
  230    HD2  PRO  37           HD2      PRO  37  -3.018  -2.169  -0.800
  231    HD3  PRO  37           HD3      PRO  37  -4.600  -1.386  -0.620
  232    H    ARG  38           H        ARG  38  -2.470  -4.098   0.408
  233    HA   ARG  38           HA       ARG  38  -1.991  -6.981   0.757
  234    HB2  ARG  38           HB2      ARG  38  -0.046  -5.078  -0.529
  235    HB3  ARG  38           HB3      ARG  38  -0.072  -6.833  -0.606
  236    HG2  ARG  38           HG2      ARG  38  -2.446  -6.285  -1.742
  237    HG3  ARG  38           HG3      ARG  38  -1.542  -4.839  -2.196
  238    HD2  ARG  38           HD2      ARG  38  -0.095  -5.986  -3.518
  239    HD3  ARG  38           HD3      ARG  38  -0.205  -7.457  -2.552
  240    HE   ARG  38           HE       ARG  38  -2.623  -7.422  -3.609
  241   HH11  ARG  38          HH12      ARG  38   0.438  -6.694  -5.167
  242   HH12  ARG  38          HH11      ARG  38  -0.082  -7.277  -6.727
  243   HH21  ARG  38          HH22      ARG  38  -3.280  -8.226  -5.638
  244   HH22  ARG  38          HH21      ARG  38  -2.187  -8.144  -6.988
  245    H    ALA  39           H        ALA  39  -2.392  -4.949   2.788
  246    HA   ALA  39           HA       ALA  39  -0.106  -3.871   3.879
  247    HB1  ALA  39           HB1      ALA  39  -1.304  -3.561   5.861
  248    HB2  ALA  39           HB2      ALA  39  -2.547  -3.592   4.610
  249    HB3  ALA  39           HB3      ALA  39  -2.268  -5.017   5.613
  250    H    LYS  40           H        LYS  40   1.629  -4.641   4.827
  251    HA   LYS  40           HA       LYS  40   2.377  -7.275   4.775
  252    HB2  LYS  40           HB2      LYS  40   3.959  -6.401   6.775
  253    HB3  LYS  40           HB3      LYS  40   4.243  -6.037   5.080
  254    HG2  LYS  40           HG2      LYS  40   3.907  -3.859   5.390
  255    HG3  LYS  40           HG3      LYS  40   2.443  -4.134   6.336
  256    HD2  LYS  40           HD2      LYS  40   3.842  -4.646   8.295
  257    HD3  LYS  40           HD3      LYS  40   5.279  -4.282   7.336
  258    HE2  LYS  40           HE2      LYS  40   5.062  -2.179   8.026
  259    HE3  LYS  40           HE3      LYS  40   3.657  -2.074   6.966
  260    HZ1  LYS  40           HZ1      LYS  40   2.405  -3.041   8.970
  261    HZ2  LYS  40           HZ2      LYS  40   2.843  -1.402   9.002
  262    HZ3  LYS  40           HZ3      LYS  40   3.754  -2.534   9.872
  263    H    LYS  41           H        LYS  41   1.597  -8.963   5.773
  264    HA   LYS  41           HA       LYS  41   0.634  -8.669   8.547
  265    HB2  LYS  41           HB2      LYS  41  -0.580  -9.891   6.171
  266    HB3  LYS  41           HB3      LYS  41  -0.577 -10.948   7.574
  267    HG2  LYS  41           HG2      LYS  41  -2.423  -9.921   8.235
  268    HG3  LYS  41           HG3      LYS  41  -1.437  -8.494   8.553
  269    HD2  LYS  41           HD2      LYS  41  -3.441  -8.089   7.102
  270    HD3  LYS  41           HD3      LYS  41  -1.901  -7.594   6.397
  271    HE2  LYS  41           HE2      LYS  41  -2.116  -9.018   4.689
  272    HE3  LYS  41           HE3      LYS  41  -2.581 -10.345   5.752
  273    HZ1  LYS  41           HZ1      LYS  41  -4.525  -8.216   5.164
  274    HZ2  LYS  41           HZ2      LYS  41  -4.793  -9.844   5.560
  275    HZ3  LYS  41           HZ3      LYS  41  -4.248  -9.431   4.011
  276    H    SER  42           H        SER  42   1.373 -11.384   6.395
  277    HA   SER  42           HA       SER  42   2.855 -12.679   8.536
  278    HB2  SER  42           HB2      SER  42   2.814 -14.139   6.045
  279    HB3  SER  42           HB3      SER  42   2.077 -14.561   7.592
  280    HG   SER  42           HG       SER  42   0.204 -13.746   6.958
  281    H    GLY  43           H        GLY  43   3.406 -10.848   5.690
  282    HA2  GLY  43           HA2      GLY  43   6.291 -11.312   6.002
  283    HA3  GLY  43           HA3      GLY  43   5.570 -11.492   4.410
  284    H    LEU  44           H        LEU  44   6.615  -9.278   6.863
  285    HA   LEU  44           HA       LEU  44   5.731  -6.932   5.391
  286    HB2  LEU  44           HB2      LEU  44   7.799  -6.301   7.264
  287    HB3  LEU  44           HB3      LEU  44   6.104  -5.852   7.301
  288    HG   LEU  44           HG       LEU  44   6.601  -8.597   8.196
  289   HD11  LEU  44          HD11      LEU  44   8.482  -6.725   9.025
  290   HD12  LEU  44          HD12      LEU  44   7.327  -6.826  10.354
  291   HD13  LEU  44          HD13      LEU  44   8.132  -8.284   9.775
  292   HD21  LEU  44          HD21      LEU  44   5.388  -6.667  10.016
  293   HD22  LEU  44          HD22      LEU  44   4.619  -6.719   8.430
  294   HD23  LEU  44          HD23      LEU  44   4.757  -8.191   9.392
  295    H    ARG  45           H        ARG  45   8.792  -8.464   6.226
  296    HA   ARG  45           HA       ARG  45   9.875  -7.537   3.663
  297    HB2  ARG  45           HB2      ARG  45  11.040  -6.269   5.374
  298    HB3  ARG  45           HB3      ARG  45  11.343  -7.729   6.306
  299    HG2  ARG  45           HG2      ARG  45  12.425  -8.115   3.714
  300    HG3  ARG  45           HG3      ARG  45  12.948  -6.533   4.297
  301    HD2  ARG  45           HD2      ARG  45  14.595  -7.962   5.099
  302    HD3  ARG  45           HD3      ARG  45  13.520  -7.774   6.484
  303    HE   ARG  45           HE       ARG  45  13.266 -10.093   4.682
  304   HH11  ARG  45          HH12      ARG  45  13.914  -8.778   7.872
  305   HH12  ARG  45          HH11      ARG  45  13.689 -10.306   8.680
  306   HH21  ARG  45          HH22      ARG  45  12.979 -12.091   5.735
  307   HH22  ARG  45          HH21      ARG  45  13.168 -12.198   7.465
  308    H    VAL  46           H        VAL  46  10.604  -9.165   2.413
  309    HA   VAL  46           HA       VAL  46  10.064 -11.837   3.137
  310    HB   VAL  46           HB       VAL  46  11.805 -10.847   0.864
  311   HG11  VAL  46          HG11      VAL  46  12.217 -13.162   1.164
  312   HG12  VAL  46          HG12      VAL  46  10.505 -13.504   1.418
  313   HG13  VAL  46          HG13      VAL  46  11.081 -13.027  -0.178
  314   HG21  VAL  46          HG21      VAL  46   9.756  -9.843   0.457
  315   HG22  VAL  46          HG22      VAL  46   9.607 -11.369  -0.415
  316   HG23  VAL  46          HG23      VAL  46   8.847 -11.179   1.165
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1   5.158  11.602 -16.749
    2    H2   GLY   1           H2       GLY   1   4.042  11.573 -18.024
    3    H3   GLY   1           H3       GLY   1   3.754  12.549 -16.673
    4    HA2  GLY   1           HA3      GLY   1   6.239  12.998 -18.138
    5    HA3  GLY   1           HA2      GLY   1   4.746  13.501 -18.917
    6    H    SER   2           H        SER   2   4.971  15.682 -18.762
    7    HA   SER   2           HA       SER   2   5.836  17.008 -16.396
    8    HB2  SER   2           HB2      SER   2   4.236  18.592 -18.275
    9    HB3  SER   2           HB3      SER   2   5.898  18.826 -17.732
   10    HG   SER   2           HG       SER   2   6.402  18.156 -19.656
   11    H    MET   3           H        MET   3   4.575  16.501 -14.663
   12    HA   MET   3           HA       MET   3   1.706  17.138 -14.867
   13    HB2  MET   3           HB2      MET   3   2.141  14.794 -14.315
   14    HB3  MET   3           HB3      MET   3   3.121  15.285 -12.940
   15    HG2  MET   3           HG2      MET   3   1.074  14.689 -12.016
   16    HG3  MET   3           HG3      MET   3   1.027  16.450 -12.079
   17    HE1  MET   3           HE1      MET   3  -1.977  14.110 -12.342
   18    HE2  MET   3           HE2      MET   3  -1.553  13.349 -13.876
   19    HE3  MET   3           HE3      MET   3  -0.399  13.346 -12.542
   20    H    ALA   4           H        ALA   4   1.075  18.907 -13.891
   21    HA   ALA   4           HA       ALA   4   2.811  20.319 -12.070
   22    HB1  ALA   4           HB1      ALA   4   1.406  21.427 -13.829
   23    HB2  ALA   4           HB2      ALA   4  -0.007  21.037 -12.848
   24    HB3  ALA   4           HB3      ALA   4   1.243  22.103 -12.208
   25    H    ALA   5           H        ALA   5   2.421  18.070 -10.818
   26    HA   ALA   5           HA       ALA   5   0.893  18.799  -8.491
   27    HB1  ALA   5           HB1      ALA   5  -0.905  17.532  -8.798
   28    HB2  ALA   5           HB2      ALA   5  -0.339  17.170 -10.430
   29    HB3  ALA   5           HB3      ALA   5   0.104  16.115  -9.088
   30    H    HIS   6           H        HIS   6   1.553  17.723  -6.663
   31    HA   HIS   6           HA       HIS   6   4.153  16.506  -6.809
   32    HB2  HIS   6           HB2      HIS   6   2.579  17.818  -4.836
   33    HB3  HIS   6           HB3      HIS   6   2.991  16.225  -4.216
   34    HD1  HIS   6           HD1      HIS   6   5.694  17.234  -6.355
   35    HD2  HIS   6           HD2      HIS   6   4.510  18.124  -2.463
   36    HE1  HIS   6           HE1      HIS   6   7.733  18.167  -5.215
   37    HE2  HIS   6           HE2      HIS   6   6.957  18.832  -2.912
   38    H    SER   7           H        SER   7   4.058  14.535  -7.762
   39    HA   SER   7           HA       SER   7   1.991  12.664  -7.328
   40    HB2  SER   7           HB2      SER   7   4.591  11.622  -8.260
   41    HB3  SER   7           HB3      SER   7   2.993  11.500  -8.997
   42    HG   SER   7           HG       SER   7   3.309  13.317 -10.064
   43    H    ALA   8           H        ALA   8   1.766  12.268  -5.138
   44    HA   ALA   8           HA       ALA   8   4.021  10.934  -3.792
   45    HB1  ALA   8           HB1      ALA   8   3.427  12.375  -2.173
   46    HB2  ALA   8           HB2      ALA   8   1.833  12.653  -2.874
   47    HB3  ALA   8           HB3      ALA   8   2.115  11.236  -1.862
   48    H    ASP   9           H        ASP   9   0.844  10.525  -5.060
   49    HA   ASP   9           HA       ASP   9   0.384   7.940  -3.830
   50    HB2  ASP   9           HB2      ASP   9  -1.372   9.747  -4.577
   51    HB3  ASP   9           HB3      ASP   9  -1.192   8.997  -6.158
   52    H    LEU  10           H        LEU  10   2.782   7.973  -5.155
   53    HA   LEU  10           HA       LEU  10   2.418   6.723  -7.747
   54    HB2  LEU  10           HB2      LEU  10   4.812   6.626  -7.885
   55    HB3  LEU  10           HB3      LEU  10   4.351   8.221  -7.326
   56    HG   LEU  10           HG       LEU  10   4.818   6.589  -5.039
   57   HD11  LEU  10          HD11      LEU  10   6.953   6.449  -7.151
   58   HD12  LEU  10          HD12      LEU  10   7.255   6.168  -5.436
   59   HD13  LEU  10          HD13      LEU  10   6.156   5.111  -6.323
   60   HD21  LEU  10          HD21      LEU  10   5.905   9.060  -6.271
   61   HD22  LEU  10          HD22      LEU  10   5.179   8.808  -4.683
   62   HD23  LEU  10          HD23      LEU  10   6.838   8.293  -4.986
   63    H    LYS  11           H        LYS  11   3.195   5.880  -4.446
   64    HA   LYS  11           HA       LYS  11   1.985   3.447  -4.472
   65    HB2  LYS  11           HB2      LYS  11   3.606   1.779  -4.711
   66    HB3  LYS  11           HB3      LYS  11   3.965   2.891  -6.019
   67    HG2  LYS  11           HG2      LYS  11   6.066   2.654  -5.286
   68    HG3  LYS  11           HG3      LYS  11   5.581   3.880  -4.113
   69    HD2  LYS  11           HD2      LYS  11   6.752   1.764  -3.246
   70    HD3  LYS  11           HD3      LYS  11   5.297   2.322  -2.417
   71    HE2  LYS  11           HE2      LYS  11   4.523   0.557  -4.516
   72    HE3  LYS  11           HE3      LYS  11   5.797  -0.217  -3.574
   73    HZ1  LYS  11           HZ1      LYS  11   3.094   0.120  -2.898
   74    HZ2  LYS  11           HZ2      LYS  11   4.025   0.981  -1.781
   75    HZ3  LYS  11           HZ3      LYS  11   4.304  -0.670  -2.020
   76    H    CYS  12           H        CYS  12   2.227   2.344  -2.457
   77    HA   CYS  12           HA       CYS  12   2.520   4.245  -0.359
   78    HB2  CYS  12           HB2      CYS  12   1.557   2.302   0.962
   79    HB3  CYS  12           HB3      CYS  12   0.598   2.867  -0.401
   80    HA   PRO  13           HA       PRO  13   6.165   3.029   1.890
   81    HB2  PRO  13           HB2      PRO  13   4.492   2.088   4.160
   82    HB3  PRO  13           HB3      PRO  13   5.782   3.289   4.140
   83    HG2  PRO  13           HG2      PRO  13   3.254   4.047   4.334
   84    HG3  PRO  13           HG3      PRO  13   4.393   4.956   3.322
   85    HD2  PRO  13           HD2      PRO  13   2.293   2.989   2.506
   86    HD3  PRO  13           HD3      PRO  13   2.747   4.529   1.748
   87    H    THR  14           H        THR  14   3.570   0.659   1.836
   88    HA   THR  14           HA       THR  14   5.161  -1.522   2.760
   89    HB   THR  14           HB       THR  14   2.566  -1.687   1.227
   90    HG1  THR  14           HG1      THR  14   1.594  -0.967   2.967
   91   HG21  THR  14          HG21      THR  14   3.360  -3.547   3.416
   92   HG22  THR  14          HG22      THR  14   4.121  -3.742   1.836
   93   HG23  THR  14          HG23      THR  14   2.367  -3.842   1.990
   94    HA   PRO  15           HA       PRO  15   7.271  -2.162  -1.103
   95    HB2  PRO  15           HB2      PRO  15   8.257  -4.612   0.223
   96    HB3  PRO  15           HB3      PRO  15   9.164  -3.244  -0.428
   97    HG2  PRO  15           HG2      PRO  15   8.948  -3.590   2.192
   98    HG3  PRO  15           HG3      PRO  15   8.870  -1.967   1.480
   99    HD2  PRO  15           HD2      PRO  15   6.620  -3.727   2.414
  100    HD3  PRO  15           HD3      PRO  15   6.883  -1.992   2.704
  101    H    GLY  16           H        GLY  16   5.533  -4.800   0.511
  102    HA2  GLY  16           HA2      GLY  16   5.449  -6.438  -1.845
  103    HA3  GLY  16           HA3      GLY  16   4.601  -6.737  -0.336
  104    H    CYS  17           H        CYS  17   3.219  -4.323  -0.162
  105    HA   CYS  17           HA       CYS  17   1.016  -4.765  -1.931
  106    HB2  CYS  17           HB2      CYS  17   0.687  -4.000   0.373
  107    HB3  CYS  17           HB3      CYS  17   1.630  -2.557   0.047
  108    H    ASP  18           H        ASP  18   0.484  -3.581  -3.750
  109    HA   ASP  18           HA       ASP  18   2.702  -2.223  -4.971
  110    HB2  ASP  18           HB2      ASP  18   1.677  -2.596  -6.987
  111    HB3  ASP  18           HB3      ASP  18   0.908  -3.858  -6.036
  112    H    GLY  19           H        GLY  19  -0.441  -1.323  -3.703
  113    HA2  GLY  19           HA2      GLY  19  -0.484   0.952  -2.730
  114    HA3  GLY  19           HA3      GLY  19   0.261   1.502  -4.225
  115    H    SER  20           H        SER  20  -1.696  -0.672  -5.445
  116    HA   SER  20           HA       SER  20  -3.879   1.248  -5.806
  117    HB2  SER  20           HB2      SER  20  -3.531  -1.345  -7.307
  118    HB3  SER  20           HB3      SER  20  -4.438   0.087  -7.794
  119    HG   SER  20           HG       SER  20  -1.630  -0.299  -7.704
  120    H    GLY  21           H        GLY  21  -5.928   0.873  -5.157
  121    HA2  GLY  21           HA2      GLY  21  -7.755  -0.472  -4.484
  122    HA3  GLY  21           HA3      GLY  21  -6.633  -1.783  -4.144
  123    H    HIS  22           H        HIS  22  -8.194  -1.686  -2.214
  124    HA   HIS  22           HA       HIS  22  -6.747  -0.506   0.003
  125    HB2  HIS  22           HB2      HIS  22  -9.407   0.498  -0.878
  126    HB3  HIS  22           HB3      HIS  22  -9.222   0.196   0.842
  127    HD1  HIS  22           HD1      HIS  22  -8.368   2.072   2.154
  128    HD2  HIS  22           HD2      HIS  22  -7.314   2.413  -1.853
  129    HE1  HIS  22           HE1      HIS  22  -7.311   4.332   1.927
  130    HE2  HIS  22           HE2      HIS  22  -6.842   4.596  -0.532
  131    H    ILE  23           H        ILE  23  -7.686  -1.291   2.099
  132    HA   ILE  23           HA       ILE  23  -8.513  -4.048   1.907
  133    HB   ILE  23           HB       ILE  23  -7.576  -2.261   4.026
  134   HG12  ILE  23          HG12      ILE  23  -6.229  -4.099   3.332
  135   HG13  ILE  23          HG13      ILE  23  -6.798  -4.479   4.954
  136   HG21  ILE  23          HG21      ILE  23  -9.920  -4.042   4.582
  137   HG22  ILE  23          HG22      ILE  23  -8.718  -3.698   5.828
  138   HG23  ILE  23          HG23      ILE  23  -9.633  -2.380   5.094
  139   HD11  ILE  23          HD11      ILE  23  -7.450  -6.439   4.144
  140   HD12  ILE  23          HD12      ILE  23  -8.712  -5.574   3.265
  141   HD13  ILE  23          HD13      ILE  23  -7.169  -5.917   2.483
  142    H    THR  24           H        THR  24  -9.955  -0.924   2.517
  143    HA   THR  24           HA       THR  24 -12.550  -1.971   3.149
  144    HB   THR  24           HB       THR  24 -11.501   0.354   3.767
  145    HG1  THR  24           HG1      THR  24 -13.836  -0.629   3.936
  146   HG21  THR  24          HG21      THR  24 -11.388   0.865   1.206
  147   HG22  THR  24          HG22      THR  24 -11.839   2.134   2.346
  148   HG23  THR  24          HG23      THR  24 -13.085   1.296   1.419
  149    H    GLY  25           H        GLY  25 -10.794  -1.419   0.289
  150    HA2  GLY  25           HA2      GLY  25 -11.283  -1.786  -1.911
  151    HA3  GLY  25           HA3      GLY  25 -12.695  -2.648  -1.331
  152    H    ASN  26           H        ASN  26 -12.494   0.661  -0.443
  153    HA   ASN  26           HA       ASN  26 -14.677   1.265  -2.302
  154    HB2  ASN  26           HB2      ASN  26 -13.967   2.113   0.455
  155    HB3  ASN  26           HB3      ASN  26 -14.789   3.296  -0.556
  156   HD21  ASN  26          HD21      ASN  26 -14.992  -0.070   0.515
  157   HD22  ASN  26          HD22      ASN  26 -16.715  -0.125   0.575
  158    H    TYR  27           H        TYR  27 -11.528   1.622  -2.513
  159    HA   TYR  27           HA       TYR  27 -11.699   4.356  -3.581
  160    HB2  TYR  27           HB2      TYR  27  -9.477   3.122  -1.948
  161    HB3  TYR  27           HB3      TYR  27  -9.322   4.630  -2.827
  162    HD1  TYR  27           HD1      TYR  27 -11.201   2.970  -0.104
  163    HD2  TYR  27           HD2      TYR  27 -10.070   6.664  -1.883
  164    HE1  TYR  27           HE1      TYR  27 -12.117   4.168   1.826
  165    HE2  TYR  27           HE2      TYR  27 -10.982   7.877   0.056
  166    HH   TYR  27           HH       TYR  27 -13.097   6.751   2.088
  167    H    ALA  28           H        ALA  28  -9.430   4.722  -4.809
  168    HA   ALA  28           HA       ALA  28  -9.317   2.581  -6.813
  169    HB1  ALA  28           HB1      ALA  28  -9.662   4.433  -8.069
  170    HB2  ALA  28           HB2      ALA  28  -8.933   5.511  -6.880
  171    HB3  ALA  28           HB3      ALA  28  -7.907   4.552  -7.949
  172    H    SER  29           H        SER  29  -7.251   4.656  -4.809
  173    HA   SER  29           HA       SER  29  -5.295   2.556  -4.579
  174    HB2  SER  29           HB2      SER  29  -3.427   4.014  -5.457
  175    HB3  SER  29           HB3      SER  29  -4.543   3.422  -6.690
  176    HG   SER  29           HG       SER  29  -3.947   5.965  -5.987
  177    H    HIS  30           H        HIS  30  -3.277   3.548  -3.396
  178    HA   HIS  30           HA       HIS  30  -3.956   5.741  -1.615
  179    HB2  HIS  30           HB2      HIS  30  -3.434   4.403   0.398
  180    HB3  HIS  30           HB3      HIS  30  -4.867   3.809  -0.429
  181    HD1  HIS  30           HD1      HIS  30  -4.643   1.469  -1.652
  182    HD2  HIS  30           HD2      HIS  30  -1.297   2.672   0.511
  183    HE1  HIS  30           HE1      HIS  30  -3.122  -0.549  -1.489
  184    H    ARG  31           H        ARG  31  -1.992   6.147  -0.108
  185    HA   ARG  31           HA       ARG  31   0.517   5.331  -1.393
  186    HB2  ARG  31           HB2      ARG  31   1.348   7.706  -1.146
  187    HB3  ARG  31           HB3      ARG  31   0.159   7.444  -2.413
  188    HG2  ARG  31           HG2      ARG  31  -1.025   9.100  -1.562
  189    HG3  ARG  31           HG3      ARG  31  -1.310   8.108  -0.131
  190    HD2  ARG  31           HD2      ARG  31   1.277   9.171   0.149
  191    HD3  ARG  31           HD3      ARG  31   0.254  10.497  -0.409
  192    HE   ARG  31           HE       ARG  31  -0.221   8.894   2.028
  193   HH11  ARG  31          HH12      ARG  31  -0.619  11.847   0.175
  194   HH12  ARG  31          HH11      ARG  31  -1.417  12.695   1.460
  195   HH21  ARG  31          HH22      ARG  31  -1.260  10.007   3.715
  196   HH22  ARG  31          HH21      ARG  31  -1.774  11.650   3.484
  197    H    SER  32           H        SER  32  -1.198   5.252   1.277
  198    HA   SER  32           HA       SER  32   1.169   5.440   2.999
  199    HB2  SER  32           HB2      SER  32  -1.334   6.037   4.389
  200    HB3  SER  32           HB3      SER  32   0.205   6.895   4.427
  201    HG   SER  32           HG       SER  32  -1.762   7.095   2.380
  202    H    LEU  33           H        LEU  33   0.852   4.180   5.060
  203    HA   LEU  33           HA       LEU  33  -0.000   1.549   4.382
  204    HB2  LEU  33           HB2      LEU  33   1.516   2.875   6.470
  205    HB3  LEU  33           HB3      LEU  33   0.501   1.598   7.115
  206    HG   LEU  33           HG       LEU  33   2.191   0.995   4.744
  207   HD11  LEU  33          HD11      LEU  33   3.890   0.266   6.651
  208   HD12  LEU  33          HD12      LEU  33   3.964   1.852   5.881
  209   HD13  LEU  33          HD13      LEU  33   3.185   1.670   7.453
  210   HD21  LEU  33          HD21      LEU  33   0.504  -0.562   5.865
  211   HD22  LEU  33          HD22      LEU  33   2.124  -1.197   5.574
  212   HD23  LEU  33          HD23      LEU  33   1.662  -0.662   7.190
  213    H    SER  34           H        SER  34  -2.025   3.873   4.923
  214    HA   SER  34           HA       SER  34  -3.591   2.706   7.068
  215    HB2  SER  34           HB2      SER  34  -4.987   4.818   5.776
  216    HB3  SER  34           HB3      SER  34  -4.217   4.832   7.361
  217    HG   SER  34           HG       SER  34  -3.516   6.255   5.317
  218    H    GLY  35           H        GLY  35  -3.330   2.267   3.745
  219    HA2  GLY  35           HA2      GLY  35  -6.034   1.102   3.677
  220    HA3  GLY  35           HA3      GLY  35  -5.527   2.204   2.408
  221    H    CYS  36           H        CYS  36  -3.147   0.095   3.722
  222    HA   CYS  36           HA       CYS  36  -2.651  -1.120   1.200
  223    HB2  CYS  36           HB2      CYS  36  -1.561  -1.490   3.974
  224    HB3  CYS  36           HB3      CYS  36  -1.107  -2.600   2.681
  225    HA   PRO  37           HA       PRO  37  -5.635  -4.423   1.848
  226    HB2  PRO  37           HB2      PRO  37  -5.784  -5.210  -0.712
  227    HB3  PRO  37           HB3      PRO  37  -6.554  -3.721  -0.153
  228    HG2  PRO  37           HG2      PRO  37  -3.976  -4.087  -1.620
  229    HG3  PRO  37           HG3      PRO  37  -5.234  -2.860  -1.853
  230    HD2  PRO  37           HD2      PRO  37  -2.910  -2.433  -0.449
  231    HD3  PRO  37           HD3      PRO  37  -4.413  -1.529  -0.190
  232    H    ARG  38           H        ARG  38  -2.404  -4.565   0.602
  233    HA   ARG  38           HA       ARG  38  -2.328  -7.440   1.236
  234    HB2  ARG  38           HB2      ARG  38  -0.936  -6.030  -1.047
  235    HB3  ARG  38           HB3      ARG  38  -0.511  -7.645  -0.499
  236    HG2  ARG  38           HG2      ARG  38  -2.245  -8.573  -1.549
  237    HG3  ARG  38           HG3      ARG  38  -3.354  -7.289  -1.053
  238    HD2  ARG  38           HD2      ARG  38  -1.465  -6.206  -2.878
  239    HD3  ARG  38           HD3      ARG  38  -2.126  -7.679  -3.570
  240    HE   ARG  38           HE       ARG  38  -4.367  -6.507  -2.827
  241   HH11  ARG  38          HH12      ARG  38  -1.547  -5.142  -4.387
  242   HH12  ARG  38          HH11      ARG  38  -2.414  -3.832  -5.129
  243   HH21  ARG  38          HH22      ARG  38  -5.544  -4.818  -3.854
  244   HH22  ARG  38          HH21      ARG  38  -4.697  -3.663  -4.842
  245    H    ALA  39           H        ALA  39  -1.864  -5.583   3.135
  246    HA   ALA  39           HA       ALA  39   0.748  -4.606   3.361
  247    HB1  ALA  39           HB1      ALA  39  -1.107  -5.351   5.616
  248    HB2  ALA  39           HB2      ALA  39   0.246  -4.223   5.683
  249    HB3  ALA  39           HB3      ALA  39  -1.174  -3.837   4.714
  250    H    LYS  40           H        LYS  40   2.526  -5.766   3.348
  251    HA   LYS  40           HA       LYS  40   4.024  -7.441   3.601
  252    HB2  LYS  40           HB2      LYS  40   3.296  -8.305   6.264
  253    HB3  LYS  40           HB3      LYS  40   4.733  -7.466   5.711
  254    HG2  LYS  40           HG2      LYS  40   2.225  -5.912   6.088
  255    HG3  LYS  40           HG3      LYS  40   3.152  -6.409   7.505
  256    HD2  LYS  40           HD2      LYS  40   4.899  -5.036   7.012
  257    HD3  LYS  40           HD3      LYS  40   4.643  -5.154   5.269
  258    HE2  LYS  40           HE2      LYS  40   2.689  -3.701   5.451
  259    HE3  LYS  40           HE3      LYS  40   2.922  -3.596   7.195
  260    HZ1  LYS  40           HZ1      LYS  40   4.550  -2.099   6.972
  261    HZ2  LYS  40           HZ2      LYS  40   3.912  -1.847   5.423
  262    HZ3  LYS  40           HZ3      LYS  40   5.244  -2.875   5.632
  263    H    LYS  41           H        LYS  41   3.194  -9.610   5.769
  264    HA   LYS  41           HA       LYS  41   1.517 -11.197   3.951
  265    HB2  LYS  41           HB2      LYS  41   4.193 -11.778   4.968
  266    HB3  LYS  41           HB3      LYS  41   3.041 -13.059   5.322
  267    HG2  LYS  41           HG2      LYS  41   3.664 -13.786   3.283
  268    HG3  LYS  41           HG3      LYS  41   2.443 -12.630   2.746
  269    HD2  LYS  41           HD2      LYS  41   4.006 -11.100   2.043
  270    HD3  LYS  41           HD3      LYS  41   5.242 -11.690   3.156
  271    HE2  LYS  41           HE2      LYS  41   6.091 -13.010   1.581
  272    HE3  LYS  41           HE3      LYS  41   4.521 -13.774   1.326
  273    HZ1  LYS  41           HZ1      LYS  41   3.940 -12.081  -0.241
  274    HZ2  LYS  41           HZ2      LYS  41   5.448 -12.717  -0.683
  275    HZ3  LYS  41           HZ3      LYS  41   5.353 -11.205   0.088
  276    H    SER  42           H        SER  42   1.968 -13.358   6.179
  277    HA   SER  42           HA       SER  42  -0.354 -12.592   7.717
  278    HB2  SER  42           HB2      SER  42   1.385 -14.996   8.255
  279    HB3  SER  42           HB3      SER  42  -0.336 -14.788   8.585
  280    HG   SER  42           HG       SER  42  -0.103 -14.427   6.016
  281    H    GLY  43           H        GLY  43   1.041 -10.637   8.369
  282    HA2  GLY  43           HA2      GLY  43   1.456 -10.477  11.044
  283    HA3  GLY  43           HA3      GLY  43   2.988 -11.097  10.438
  284    H    LEU  44           H        LEU  44   0.836  -8.371  10.550
  285    HA   LEU  44           HA       LEU  44   2.501  -6.785   8.779
  286    HB2  LEU  44           HB2      LEU  44   0.670  -5.077  10.008
  287    HB3  LEU  44           HB3      LEU  44   0.553  -5.782   8.408
  288    HG   LEU  44           HG       LEU  44  -0.405  -7.468  10.645
  289   HD11  LEU  44          HD11      LEU  44  -1.477  -4.783  10.044
  290   HD12  LEU  44          HD12      LEU  44  -2.655  -6.086  10.201
  291   HD13  LEU  44          HD13      LEU  44  -1.551  -5.728  11.531
  292   HD21  LEU  44          HD21      LEU  44  -1.911  -8.262   9.053
  293   HD22  LEU  44          HD22      LEU  44  -1.798  -6.798   8.078
  294   HD23  LEU  44          HD23      LEU  44  -0.454  -7.938   8.114
  295    H    ARG  45           H        ARG  45   2.601  -7.619  11.983
  296    HA   ARG  45           HA       ARG  45   4.175  -5.213  12.620
  297    HB2  ARG  45           HB2      ARG  45   1.900  -6.230  13.977
  298    HB3  ARG  45           HB3      ARG  45   3.294  -6.528  15.008
  299    HG2  ARG  45           HG2      ARG  45   2.950  -3.831  13.785
  300    HG3  ARG  45           HG3      ARG  45   1.953  -4.286  15.171
  301    HD2  ARG  45           HD2      ARG  45   3.644  -3.809  16.527
  302    HD3  ARG  45           HD3      ARG  45   4.611  -5.062  15.750
  303    HE   ARG  45           HE       ARG  45   4.574  -2.209  14.997
  304   HH11  ARG  45          HH12      ARG  45   6.122  -5.352  15.013
  305   HH12  ARG  45          HH11      ARG  45   7.592  -4.775  14.287
  306   HH21  ARG  45          HH22      ARG  45   6.522  -1.439  14.079
  307   HH22  ARG  45          HH21      ARG  45   7.824  -2.552  13.765
  308    H    VAL  46           H        VAL  46   4.954  -7.770  11.417
  309    HA   VAL  46           HA       VAL  46   6.440  -9.135  13.501
  310    HB   VAL  46           HB       VAL  46   5.286 -10.284  11.513
  311   HG11  VAL  46          HG11      VAL  46   7.604  -8.993  10.154
  312   HG12  VAL  46          HG12      VAL  46   7.040 -10.570   9.603
  313   HG13  VAL  46          HG13      VAL  46   5.941  -9.190   9.600
  314   HG21  VAL  46          HG21      VAL  46   7.565 -10.928  13.027
  315   HG22  VAL  46          HG22      VAL  46   6.456 -12.034  12.219
  316   HG23  VAL  46          HG23      VAL  46   7.894 -11.459  11.378
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  16.723  18.438  -9.481
    2    H2   GLY   1           H2       GLY   1  16.167  20.039  -9.513
    3    H3   GLY   1           H3       GLY   1  15.148  18.783 -10.009
    4    HA2  GLY   1           HA3      GLY   1  16.150  19.259  -7.261
    5    HA3  GLY   1           HA2      GLY   1  14.505  19.510  -7.828
    6    H    SER   2           H        SER   2  14.444  17.993  -5.787
    7    HA   SER   2           HA       SER   2  14.878  15.199  -6.445
    8    HB2  SER   2           HB2      SER   2  13.359  15.902  -4.004
    9    HB3  SER   2           HB3      SER   2  14.724  14.804  -4.207
   10    HG   SER   2           HG       SER   2  15.954  16.882  -4.545
   11    H    MET   3           H        MET   3  13.439  14.912  -8.171
   12    HA   MET   3           HA       MET   3  10.650  15.516  -7.902
   13    HB2  MET   3           HB2      MET   3  11.758  15.505 -10.100
   14    HB3  MET   3           HB3      MET   3  12.096  13.790  -9.920
   15    HG2  MET   3           HG2      MET   3  10.241  13.715 -11.238
   16    HG3  MET   3           HG3      MET   3   9.506  13.614  -9.637
   17    HE1  MET   3           HE1      MET   3   7.584  14.201 -11.745
   18    HE2  MET   3           HE2      MET   3   7.329  15.859 -12.285
   19    HE3  MET   3           HE3      MET   3   8.700  14.934 -12.893
   20    H    ALA   4           H        ALA   4   9.061  14.253  -7.178
   21    HA   ALA   4           HA       ALA   4   9.699  11.815  -5.810
   22    HB1  ALA   4           HB1      ALA   4   7.386  11.807  -5.150
   23    HB2  ALA   4           HB2      ALA   4   7.996  13.459  -5.031
   24    HB3  ALA   4           HB3      ALA   4   6.985  12.987  -6.398
   25    H    ALA   5           H        ALA   5  10.567  10.707  -7.704
   26    HA   ALA   5           HA       ALA   5   8.469   9.689  -9.509
   27    HB1  ALA   5           HB1      ALA   5  11.320  10.446  -9.967
   28    HB2  ALA   5           HB2      ALA   5  10.531   9.275 -11.026
   29    HB3  ALA   5           HB3      ALA   5   9.876  10.907 -10.870
   30    H    HIS   6           H        HIS   6  10.650   8.778  -7.094
   31    HA   HIS   6           HA       HIS   6  10.360   5.956  -7.892
   32    HB2  HIS   6           HB2      HIS   6  12.803   7.107  -6.529
   33    HB3  HIS   6           HB3      HIS   6  12.582   5.451  -7.085
   34    HD1  HIS   6           HD1      HIS   6  12.064   5.400  -9.866
   35    HD2  HIS   6           HD2      HIS   6  14.238   8.567  -8.265
   36    HE1  HIS   6           HE1      HIS   6  13.297   6.431 -11.802
   37    HE2  HIS   6           HE2      HIS   6  14.403   8.480 -10.845
   38    H    SER   7           H        SER   7   8.929   5.188  -6.531
   39    HA   SER   7           HA       SER   7   7.890   4.552  -4.626
   40    HB2  SER   7           HB2      SER   7  10.212   5.655  -3.035
   41    HB3  SER   7           HB3      SER   7   9.064   4.404  -2.552
   42    HG   SER   7           HG       SER   7  10.037   3.446  -4.711
   43    H    ALA   8           H        ALA   8   9.437   7.134  -2.851
   44    HA   ALA   8           HA       ALA   8   8.542   8.966  -1.812
   45    HB1  ALA   8           HB1      ALA   8   7.918   9.352  -4.721
   46    HB2  ALA   8           HB2      ALA   8   7.689  10.621  -3.518
   47    HB3  ALA   8           HB3      ALA   8   9.296   9.955  -3.800
   48    H    ASP   9           H        ASP   9   5.987   9.560  -4.019
   49    HA   ASP   9           HA       ASP   9   4.053   8.590  -2.028
   50    HB2  ASP   9           HB2      ASP   9   4.479  11.189  -2.364
   51    HB3  ASP   9           HB3      ASP   9   3.393  10.953  -3.729
   52    H    LEU  10           H        LEU  10   5.167   7.528  -4.531
   53    HA   LEU  10           HA       LEU  10   2.684   7.103  -6.064
   54    HB2  LEU  10           HB2      LEU  10   5.500   6.271  -6.774
   55    HB3  LEU  10           HB3      LEU  10   4.079   6.069  -7.780
   56    HG   LEU  10           HG       LEU  10   4.639   8.849  -6.989
   57   HD11  LEU  10          HD11      LEU  10   6.364   7.890  -9.179
   58   HD12  LEU  10          HD12      LEU  10   6.635   9.160  -7.988
   59   HD13  LEU  10          HD13      LEU  10   6.873   7.470  -7.545
   60   HD21  LEU  10          HD21      LEU  10   3.275   7.410  -9.025
   61   HD22  LEU  10          HD22      LEU  10   3.288   9.147  -8.723
   62   HD23  LEU  10          HD23      LEU  10   4.495   8.427  -9.788
   63    H    LYS  11           H        LYS  11   5.331   5.524  -4.389
   64    HA   LYS  11           HA       LYS  11   3.714   3.104  -4.210
   65    HB2  LYS  11           HB2      LYS  11   6.501   3.526  -4.816
   66    HB3  LYS  11           HB3      LYS  11   6.321   2.510  -3.391
   67    HG2  LYS  11           HG2      LYS  11   5.135   2.037  -6.109
   68    HG3  LYS  11           HG3      LYS  11   6.432   1.135  -5.337
   69    HD2  LYS  11           HD2      LYS  11   3.688   1.359  -4.128
   70    HD3  LYS  11           HD3      LYS  11   4.103   0.090  -5.281
   71    HE2  LYS  11           HE2      LYS  11   5.009  -1.113  -3.653
   72    HE3  LYS  11           HE3      LYS  11   6.135   0.194  -3.294
   73    HZ1  LYS  11           HZ1      LYS  11   4.373  -0.712  -1.545
   74    HZ2  LYS  11           HZ2      LYS  11   3.424   0.500  -2.252
   75    HZ3  LYS  11           HZ3      LYS  11   4.915   0.892  -1.544
   76    H    CYS  12           H        CYS  12   2.887   2.713  -2.359
   77    HA   CYS  12           HA       CYS  12   3.253   4.287  -0.068
   78    HB2  CYS  12           HB2      CYS  12   1.909   2.166   0.848
   79    HB3  CYS  12           HB3      CYS  12   1.163   3.362  -0.206
   80    HA   PRO  13           HA       PRO  13   6.375   2.442   2.442
   81    HB2  PRO  13           HB2      PRO  13   5.011   1.431   4.645
   82    HB3  PRO  13           HB3      PRO  13   5.530   3.104   4.442
   83    HG2  PRO  13           HG2      PRO  13   2.854   1.882   3.925
   84    HG3  PRO  13           HG3      PRO  13   3.251   3.449   4.659
   85    HD2  PRO  13           HD2      PRO  13   2.422   3.306   2.137
   86    HD3  PRO  13           HD3      PRO  13   3.719   4.431   2.602
   87    H    THR  14           H        THR  14   3.564   0.354   2.038
   88    HA   THR  14           HA       THR  14   4.893  -2.032   2.828
   89    HB   THR  14           HB       THR  14   2.376  -1.920   1.186
   90    HG1  THR  14           HG1      THR  14   1.412  -0.954   2.798
   91   HG21  THR  14          HG21      THR  14   3.832  -3.986   2.469
   92   HG22  THR  14          HG22      THR  14   2.273  -4.096   1.650
   93   HG23  THR  14          HG23      THR  14   2.340  -3.748   3.379
   94    HA   PRO  15           HA       PRO  15   7.042  -2.630  -1.074
   95    HB2  PRO  15           HB2      PRO  15   7.886  -5.115   0.298
   96    HB3  PRO  15           HB3      PRO  15   8.870  -3.836  -0.419
   97    HG2  PRO  15           HG2      PRO  15   8.696  -4.074   2.212
   98    HG3  PRO  15           HG3      PRO  15   8.697  -2.471   1.451
   99    HD2  PRO  15           HD2      PRO  15   6.379  -4.066   2.502
  100    HD3  PRO  15           HD3      PRO  15   6.739  -2.337   2.709
  101    H    GLY  16           H        GLY  16   5.049  -5.019   0.568
  102    HA2  GLY  16           HA2      GLY  16   4.866  -6.727  -1.748
  103    HA3  GLY  16           HA3      GLY  16   4.022  -6.942  -0.226
  104    H    CYS  17           H        CYS  17   3.633  -3.819  -1.164
  105    HA   CYS  17           HA       CYS  17   0.999  -4.396  -2.319
  106    HB2  CYS  17           HB2      CYS  17   1.183  -3.161  -0.145
  107    HB3  CYS  17           HB3      CYS  17   2.002  -1.870  -1.005
  108    H    ASP  18           H        ASP  18   0.255  -2.407  -3.724
  109    HA   ASP  18           HA       ASP  18   2.466  -1.694  -5.536
  110    HB2  ASP  18           HB2      ASP  18   1.304  -2.299  -7.422
  111    HB3  ASP  18           HB3      ASP  18   0.673  -3.492  -6.292
  112    H    GLY  19           H        GLY  19  -0.208  -0.658  -3.683
  113    HA2  GLY  19           HA2      GLY  19  -0.364   1.643  -3.074
  114    HA3  GLY  19           HA3      GLY  19   0.263   2.076  -4.656
  115    H    SER  20           H        SER  20  -1.906  -0.242  -5.335
  116    HA   SER  20           HA       SER  20  -4.070   1.729  -5.647
  117    HB2  SER  20           HB2      SER  20  -3.992  -0.778  -7.268
  118    HB3  SER  20           HB3      SER  20  -4.592   0.822  -7.702
  119    HG   SER  20           HG       SER  20  -1.982  -0.203  -7.772
  120    H    GLY  21           H        GLY  21  -6.176   1.151  -5.154
  121    HA2  GLY  21           HA2      GLY  21  -7.889  -0.241  -4.353
  122    HA3  GLY  21           HA3      GLY  21  -6.696  -1.496  -4.060
  123    H    HIS  22           H        HIS  22  -8.196  -1.485  -2.118
  124    HA   HIS  22           HA       HIS  22  -6.717  -0.326   0.081
  125    HB2  HIS  22           HB2      HIS  22  -9.454   0.604  -0.622
  126    HB3  HIS  22           HB3      HIS  22  -9.192   0.205   1.066
  127    HD1  HIS  22           HD1      HIS  22  -8.717   2.215   2.384
  128    HD2  HIS  22           HD2      HIS  22  -7.144   2.523  -1.457
  129    HE1  HIS  22           HE1      HIS  22  -7.672   4.495   2.257
  130    HE2  HIS  22           HE2      HIS  22  -6.950   4.748  -0.141
  131    H    ILE  23           H        ILE  23  -7.385  -1.304   2.150
  132    HA   ILE  23           HA       ILE  23  -8.064  -4.078   1.880
  133    HB   ILE  23           HB       ILE  23  -6.966  -2.401   3.920
  134   HG12  ILE  23          HG12      ILE  23  -5.929  -4.444   3.161
  135   HG13  ILE  23          HG13      ILE  23  -6.276  -4.589   4.881
  136   HG21  ILE  23          HG21      ILE  23  -9.521  -3.694   4.679
  137   HG22  ILE  23          HG22      ILE  23  -8.180  -3.818   5.817
  138   HG23  ILE  23          HG23      ILE  23  -8.757  -2.232   5.304
  139   HD11  ILE  23          HD11      ILE  23  -7.133  -6.574   4.333
  140   HD12  ILE  23          HD12      ILE  23  -8.522  -5.658   3.751
  141   HD13  ILE  23          HD13      ILE  23  -7.259  -6.155   2.626
  142    H    THR  24           H        THR  24  -9.725  -1.113   2.569
  143    HA   THR  24           HA       THR  24 -12.139  -2.313   3.509
  144    HB   THR  24           HB       THR  24 -11.247   0.083   3.941
  145    HG1  THR  24           HG1      THR  24 -13.415  -0.938   4.454
  146   HG21  THR  24          HG21      THR  24 -11.316   1.588   2.303
  147   HG22  THR  24          HG22      THR  24 -13.014   1.231   1.988
  148   HG23  THR  24          HG23      THR  24 -11.753   0.296   1.186
  149    H    GLY  25           H        GLY  25 -10.799  -1.958   0.422
  150    HA2  GLY  25           HA2      GLY  25 -11.601  -2.412  -1.676
  151    HA3  GLY  25           HA3      GLY  25 -12.896  -3.273  -0.859
  152    H    ASN  26           H        ASN  26 -12.107   0.193  -0.899
  153    HA   ASN  26           HA       ASN  26 -14.613   0.715  -2.316
  154    HB2  ASN  26           HB2      ASN  26 -13.944   1.474   0.475
  155    HB3  ASN  26           HB3      ASN  26 -14.786   2.671  -0.497
  156   HD21  ASN  26          HD21      ASN  26 -15.131   0.088   1.502
  157   HD22  ASN  26          HD22      ASN  26 -16.761  -0.325   1.127
  158    H    TYR  27           H        TYR  27 -11.398   1.218  -2.314
  159    HA   TYR  27           HA       TYR  27 -11.703   3.899  -3.471
  160    HB2  TYR  27           HB2      TYR  27  -9.518   2.924  -1.635
  161    HB3  TYR  27           HB3      TYR  27  -9.407   4.391  -2.580
  162    HD1  TYR  27           HD1      TYR  27 -11.275   2.748   0.169
  163    HD2  TYR  27           HD2      TYR  27 -10.448   6.395  -1.874
  164    HE1  TYR  27           HE1      TYR  27 -12.417   4.005   1.949
  165    HE2  TYR  27           HE2      TYR  27 -11.586   7.656  -0.100
  166    HH   TYR  27           HH       TYR  27 -13.498   6.114   2.320
  167    H    ALA  28           H        ALA  28 -10.164   4.459  -5.070
  168    HA   ALA  28           HA       ALA  28  -9.506   2.235  -6.769
  169    HB1  ALA  28           HB1      ALA  28  -8.632   5.035  -7.325
  170    HB2  ALA  28           HB2      ALA  28  -9.151   3.780  -8.447
  171    HB3  ALA  28           HB3      ALA  28 -10.338   4.603  -7.434
  172    H    SER  29           H        SER  29  -7.701   4.570  -4.804
  173    HA   SER  29           HA       SER  29  -5.403   2.819  -4.815
  174    HB2  SER  29           HB2      SER  29  -4.124   5.132  -5.571
  175    HB3  SER  29           HB3      SER  29  -4.465   3.767  -6.635
  176    HG   SER  29           HG       SER  29  -5.688   5.067  -7.729
  177    H    HIS  30           H        HIS  30  -3.504   3.985  -3.679
  178    HA   HIS  30           HA       HIS  30  -4.261   5.996  -1.744
  179    HB2  HIS  30           HB2      HIS  30  -3.619   4.600   0.187
  180    HB3  HIS  30           HB3      HIS  30  -5.026   3.942  -0.637
  181    HD1  HIS  30           HD1      HIS  30  -4.696   1.663  -1.917
  182    HD2  HIS  30           HD2      HIS  30  -1.342   3.023   0.141
  183    HE1  HIS  30           HE1      HIS  30  -3.018  -0.238  -1.919
  184    H    ARG  31           H        ARG  31  -2.086   5.677  -0.022
  185    HA   ARG  31           HA       ARG  31   0.329   5.239  -1.494
  186    HB2  ARG  31           HB2      ARG  31   1.147   7.642  -0.983
  187    HB3  ARG  31           HB3      ARG  31   0.120   7.388  -2.386
  188    HG2  ARG  31           HG2      ARG  31  -1.682   7.918  -0.369
  189    HG3  ARG  31           HG3      ARG  31  -0.329   8.993  -0.012
  190    HD2  ARG  31           HD2      ARG  31  -2.204   9.828  -1.579
  191    HD3  ARG  31           HD3      ARG  31  -0.524  10.124  -2.027
  192    HE   ARG  31           HE       ARG  31  -0.751   8.130  -3.506
  193   HH11  ARG  31          HH12      ARG  31  -3.597   9.957  -2.555
  194   HH12  ARG  31          HH11      ARG  31  -4.513   9.489  -3.961
  195   HH21  ARG  31          HH22      ARG  31  -1.954   7.523  -5.341
  196   HH22  ARG  31          HH21      ARG  31  -3.584   8.101  -5.536
  197    H    SER  32           H        SER  32  -1.242   4.742   1.117
  198    HA   SER  32           HA       SER  32   1.093   4.836   2.854
  199    HB2  SER  32           HB2      SER  32  -1.086   5.470   4.526
  200    HB3  SER  32           HB3      SER  32   0.275   6.510   4.107
  201    HG   SER  32           HG       SER  32  -0.995   7.645   2.884
  202    H    LEU  33           H        LEU  33   0.523   3.615   4.986
  203    HA   LEU  33           HA       LEU  33  -0.387   1.023   4.227
  204    HB2  LEU  33           HB2      LEU  33   0.919   2.285   6.510
  205    HB3  LEU  33           HB3      LEU  33  -0.203   1.021   6.979
  206    HG   LEU  33           HG       LEU  33   1.716   0.384   4.813
  207   HD11  LEU  33          HD11      LEU  33   3.249  -0.318   6.848
  208   HD12  LEU  33          HD12      LEU  33   3.378   1.269   6.092
  209   HD13  LEU  33          HD13      LEU  33   2.477   1.079   7.596
  210   HD21  LEU  33          HD21      LEU  33   1.459  -1.460   7.021
  211   HD22  LEU  33          HD22      LEU  33  -0.118  -0.992   6.385
  212   HD23  LEU  33          HD23      LEU  33   1.093  -1.691   5.310
  213    H    SER  34           H        SER  34  -2.025   3.753   5.146
  214    HA   SER  34           HA       SER  34  -4.130   2.515   6.672
  215    HB2  SER  34           HB2      SER  34  -4.955   4.984   5.502
  216    HB3  SER  34           HB3      SER  34  -4.514   4.666   7.183
  217    HG   SER  34           HG       SER  34  -3.252   6.293   5.842
  218    H    GLY  35           H        GLY  35  -3.217   2.441   3.491
  219    HA2  GLY  35           HA2      GLY  35  -5.969   1.812   2.644
  220    HA3  GLY  35           HA3      GLY  35  -4.871   2.710   1.609
  221    H    CYS  36           H        CYS  36  -2.753   0.774   2.913
  222    HA   CYS  36           HA       CYS  36  -2.439  -0.856   0.678
  223    HB2  CYS  36           HB2      CYS  36  -1.319  -0.994   3.469
  224    HB3  CYS  36           HB3      CYS  36  -0.876  -2.176   2.239
  225    HA   PRO  37           HA       PRO  37  -5.510  -3.996   1.776
  226    HB2  PRO  37           HB2      PRO  37  -5.465  -5.230  -0.629
  227    HB3  PRO  37           HB3      PRO  37  -6.379  -3.747  -0.340
  228    HG2  PRO  37           HG2      PRO  37  -3.706  -4.106  -1.633
  229    HG3  PRO  37           HG3      PRO  37  -5.048  -3.049  -2.109
  230    HD2  PRO  37           HD2      PRO  37  -2.863  -2.156  -0.749
  231    HD3  PRO  37           HD3      PRO  37  -4.471  -1.426  -0.596
  232    H    ARG  38           H        ARG  38  -2.250  -4.219   0.683
  233    HA   ARG  38           HA       ARG  38  -2.098  -7.035   1.527
  234    HB2  ARG  38           HB2      ARG  38  -0.325  -5.465  -0.344
  235    HB3  ARG  38           HB3      ARG  38   0.034  -7.093   0.214
  236    HG2  ARG  38           HG2      ARG  38  -1.309  -8.000  -1.303
  237    HG3  ARG  38           HG3      ARG  38  -2.631  -6.902  -0.898
  238    HD2  ARG  38           HD2      ARG  38  -0.792  -5.302  -2.208
  239    HD3  ARG  38           HD3      ARG  38  -0.762  -6.817  -3.108
  240    HE   ARG  38           HE       ARG  38  -3.395  -6.384  -2.891
  241   HH11  ARG  38          HH12      ARG  38  -0.803  -4.195  -3.722
  242   HH12  ARG  38          HH11      ARG  38  -1.742  -3.281  -4.868
  243   HH21  ARG  38          HH22      ARG  38  -4.660  -5.181  -4.395
  244   HH22  ARG  38          HH21      ARG  38  -3.926  -3.864  -5.265
  245    H    ALA  39           H        ALA  39  -2.156  -4.972   3.408
  246    HA   ALA  39           HA       ALA  39   0.181  -3.826   4.239
  247    HB1  ALA  39           HB1      ALA  39  -0.782  -3.621   6.406
  248    HB2  ALA  39           HB2      ALA  39  -2.100  -3.524   5.240
  249    HB3  ALA  39           HB3      ALA  39  -1.830  -5.015   6.142
  250    H    LYS  40           H        LYS  40   2.019  -4.443   5.186
  251    HA   LYS  40           HA       LYS  40   2.493  -7.285   5.538
  252    HB2  LYS  40           HB2      LYS  40   4.761  -6.824   5.386
  253    HB3  LYS  40           HB3      LYS  40   4.074  -5.566   4.370
  254    HG2  LYS  40           HG2      LYS  40   4.256  -4.659   7.087
  255    HG3  LYS  40           HG3      LYS  40   5.818  -5.259   6.529
  256    HD2  LYS  40           HD2      LYS  40   6.124  -3.451   5.264
  257    HD3  LYS  40           HD3      LYS  40   4.558  -3.676   4.482
  258    HE2  LYS  40           HE2      LYS  40   4.536  -1.535   5.514
  259    HE3  LYS  40           HE3      LYS  40   3.502  -2.592   6.474
  260    HZ1  LYS  40           HZ1      LYS  40   4.928  -1.233   7.874
  261    HZ2  LYS  40           HZ2      LYS  40   6.310  -1.864   7.120
  262    HZ3  LYS  40           HZ3      LYS  40   5.315  -2.875   8.046
  263    H    LYS  41           H        LYS  41   3.574  -8.085   7.480
  264    HA   LYS  41           HA       LYS  41   2.739  -6.583   9.878
  265    HB2  LYS  41           HB2      LYS  41   2.711  -9.495   9.222
  266    HB3  LYS  41           HB3      LYS  41   3.023  -9.025  10.888
  267    HG2  LYS  41           HG2      LYS  41   0.812  -9.035  11.123
  268    HG3  LYS  41           HG3      LYS  41   0.844  -7.502  10.246
  269    HD2  LYS  41           HD2      LYS  41   0.079  -8.432   8.314
  270    HD3  LYS  41           HD3      LYS  41   0.844  -9.989   8.636
  271    HE2  LYS  41           HE2      LYS  41  -0.864 -10.469  10.324
  272    HE3  LYS  41           HE3      LYS  41  -1.630  -8.918   9.987
  273    HZ1  LYS  41           HZ1      LYS  41  -2.124  -9.629   7.771
  274    HZ2  LYS  41           HZ2      LYS  41  -2.694 -10.814   8.848
  275    HZ3  LYS  41           HZ3      LYS  41  -1.260 -11.073   7.976
  276    H    SER  42           H        SER  42   4.527  -9.227  10.727
  277    HA   SER  42           HA       SER  42   6.837  -7.629  11.373
  278    HB2  SER  42           HB2      SER  42   6.980 -10.538  11.794
  279    HB3  SER  42           HB3      SER  42   7.236  -9.220  12.938
  280    HG   SER  42           HG       SER  42   4.964  -9.000  13.091
  281    H    GLY  43           H        GLY  43   7.986  -7.139   9.586
  282    HA2  GLY  43           HA2      GLY  43   9.823  -7.808   8.174
  283    HA3  GLY  43           HA3      GLY  43   9.086  -9.400   8.041
  284    H    LEU  44           H        LEU  44   9.454  -6.393   6.605
  285    HA   LEU  44           HA       LEU  44   7.048  -5.938   5.321
  286    HB2  LEU  44           HB2      LEU  44   8.807  -5.055   3.451
  287    HB3  LEU  44           HB3      LEU  44   8.331  -4.156   4.876
  288    HG   LEU  44           HG       LEU  44  10.446  -5.650   5.807
  289   HD11  LEU  44          HD11      LEU  44  10.899  -6.352   3.456
  290   HD12  LEU  44          HD12      LEU  44  11.194  -4.658   3.065
  291   HD13  LEU  44          HD13      LEU  44  12.230  -5.488   4.228
  292   HD21  LEU  44          HD21      LEU  44   9.847  -3.195   6.075
  293   HD22  LEU  44          HD22      LEU  44  11.562  -3.595   6.002
  294   HD23  LEU  44          HD23      LEU  44  10.751  -2.927   4.584
  295    H    ARG  45           H        ARG  45   9.875  -7.448   3.777
  296    HA   ARG  45           HA       ARG  45   8.196  -9.423   2.490
  297    HB2  ARG  45           HB2      ARG  45   9.434  -7.138   1.033
  298    HB3  ARG  45           HB3      ARG  45   9.539  -8.720   0.275
  299    HG2  ARG  45           HG2      ARG  45   6.899  -8.571   1.025
  300    HG3  ARG  45           HG3      ARG  45   7.276  -6.916   0.544
  301    HD2  ARG  45           HD2      ARG  45   7.542  -7.468  -1.631
  302    HD3  ARG  45           HD3      ARG  45   8.267  -9.031  -1.256
  303    HE   ARG  45           HE       ARG  45   5.566  -9.159  -0.554
  304   HH11  ARG  45          HH12      ARG  45   7.487  -8.739  -3.462
  305   HH12  ARG  45          HH11      ARG  45   6.347  -9.574  -4.478
  306   HH21  ARG  45          HH22      ARG  45   4.063 -10.220  -1.896
  307   HH22  ARG  45          HH21      ARG  45   4.390 -10.382  -3.598
  308    H    VAL  46           H        VAL  46   9.560 -11.034   1.327
  309    HA   VAL  46           HA       VAL  46  12.183 -11.229   2.643
  310    HB   VAL  46           HB       VAL  46  11.857 -13.716   1.688
  311   HG11  VAL  46          HG11      VAL  46  11.420 -14.393   3.886
  312   HG12  VAL  46          HG12      VAL  46  12.260 -12.852   4.049
  313   HG13  VAL  46          HG13      VAL  46  10.510 -12.927   4.249
  314   HG21  VAL  46          HG21      VAL  46   9.562 -14.463   1.997
  315   HG22  VAL  46          HG22      VAL  46   9.050 -12.806   2.325
  316   HG23  VAL  46          HG23      VAL  46   9.652 -13.244   0.724
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  19.132  18.110   6.246
    2    H2   GLY   1           H2       GLY   1  20.001  19.533   5.935
    3    H3   GLY   1           H3       GLY   1  20.372  18.594   7.296
    4    HA2  GLY   1           HA3      GLY   1  21.619  18.469   4.887
    5    HA3  GLY   1           HA2      GLY   1  21.718  17.266   6.167
    6    H    SER   2           H        SER   2  21.514  15.312   5.321
    7    HA   SER   2           HA       SER   2  19.554  14.919   3.154
    8    HB2  SER   2           HB2      SER   2  21.469  12.753   3.503
    9    HB3  SER   2           HB3      SER   2  21.097  13.701   2.060
   10    HG   SER   2           HG       SER   2  22.523  15.298   2.777
   11    H    MET   3           H        MET   3  18.777  14.949   5.895
   12    HA   MET   3           HA       MET   3  18.271  12.109   6.470
   13    HB2  MET   3           HB2      MET   3  19.066  14.120   8.154
   14    HB3  MET   3           HB3      MET   3  17.327  14.096   8.418
   15    HG2  MET   3           HG2      MET   3  18.495  11.437   8.408
   16    HG3  MET   3           HG3      MET   3  19.185  12.487   9.644
   17    HE1  MET   3           HE1      MET   3  18.471  10.509  10.927
   18    HE2  MET   3           HE2      MET   3  17.776  11.528  12.189
   19    HE3  MET   3           HE3      MET   3  16.845  10.185  11.526
   20    H    ALA   4           H        ALA   4  16.955  14.089   4.511
   21    HA   ALA   4           HA       ALA   4  14.183  13.901   5.445
   22    HB1  ALA   4           HB1      ALA   4  13.638  15.592   4.002
   23    HB2  ALA   4           HB2      ALA   4  15.319  16.003   4.338
   24    HB3  ALA   4           HB3      ALA   4  14.898  15.164   2.846
   25    H    ALA   5           H        ALA   5  13.426  11.919   5.088
   26    HA   ALA   5           HA       ALA   5  13.875  10.722   2.431
   27    HB1  ALA   5           HB1      ALA   5  14.380   8.788   3.406
   28    HB2  ALA   5           HB2      ALA   5  14.383   9.630   4.954
   29    HB3  ALA   5           HB3      ALA   5  12.916   8.831   4.386
   30    H    HIS   6           H        HIS   6  11.987  12.502   2.341
   31    HA   HIS   6           HA       HIS   6   9.496  10.946   2.441
   32    HB2  HIS   6           HB2      HIS   6  10.037  13.360   3.830
   33    HB3  HIS   6           HB3      HIS   6   8.915  13.754   2.530
   34    HD1  HIS   6           HD1      HIS   6   9.208  11.231   5.372
   35    HD2  HIS   6           HD2      HIS   6   6.325  13.240   3.141
   36    HE1  HIS   6           HE1      HIS   6   6.999  10.598   6.389
   37    HE2  HIS   6           HE2      HIS   6   5.290  11.968   5.146
   38    H    SER   7           H        SER   7   7.935  12.920   1.096
   39    HA   SER   7           HA       SER   7   7.350  13.589  -0.984
   40    HB2  SER   7           HB2      SER   7  10.248  13.555  -1.809
   41    HB3  SER   7           HB3      SER   7   8.949  14.594  -2.398
   42    HG   SER   7           HG       SER   7   9.075  15.022   0.186
   43    H    ALA   8           H        ALA   8   7.722  12.902  -3.442
   44    HA   ALA   8           HA       ALA   8   7.295  11.226  -4.920
   45    HB1  ALA   8           HB1      ALA   8   9.421  10.513  -5.195
   46    HB2  ALA   8           HB2      ALA   8   9.687  10.303  -3.464
   47    HB3  ALA   8           HB3      ALA   8   8.810   9.075  -4.376
   48    H    ASP   9           H        ASP   9   5.505  11.456  -2.974
   49    HA   ASP   9           HA       ASP   9   5.028   8.891  -1.679
   50    HB2  ASP   9           HB2      ASP   9   4.653  11.392  -0.812
   51    HB3  ASP   9           HB3      ASP   9   3.076  11.150  -1.553
   52    H    LEU  10           H        LEU  10   4.895   8.206  -4.130
   53    HA   LEU  10           HA       LEU  10   2.093   8.319  -4.990
   54    HB2  LEU  10           HB2      LEU  10   4.560   7.366  -6.441
   55    HB3  LEU  10           HB3      LEU  10   2.931   7.292  -7.092
   56    HG   LEU  10           HG       LEU  10   4.070   9.916  -6.211
   57   HD11  LEU  10          HD11      LEU  10   4.909  10.282  -8.480
   58   HD12  LEU  10          HD12      LEU  10   5.762   8.970  -7.667
   59   HD13  LEU  10          HD13      LEU  10   4.536   8.605  -8.884
   60   HD21  LEU  10          HD21      LEU  10   1.818   8.930  -7.862
   61   HD22  LEU  10          HD22      LEU  10   1.907  10.311  -6.768
   62   HD23  LEU  10          HD23      LEU  10   2.603  10.422  -8.383
   63    H    LYS  11           H        LYS  11   4.724   6.147  -4.204
   64    HA   LYS  11           HA       LYS  11   2.796   3.993  -3.934
   65    HB2  LYS  11           HB2      LYS  11   5.433   4.094  -4.996
   66    HB3  LYS  11           HB3      LYS  11   5.445   3.057  -3.572
   67    HG2  LYS  11           HG2      LYS  11   3.566   2.802  -5.904
   68    HG3  LYS  11           HG3      LYS  11   4.988   1.810  -5.610
   69    HD2  LYS  11           HD2      LYS  11   2.925   2.043  -3.477
   70    HD3  LYS  11           HD3      LYS  11   2.594   1.005  -4.863
   71    HE2  LYS  11           HE2      LYS  11   3.818  -0.604  -3.953
   72    HE3  LYS  11           HE3      LYS  11   5.228   0.451  -3.983
   73    HZ1  LYS  11           HZ1      LYS  11   4.350  -0.545  -1.752
   74    HZ2  LYS  11           HZ2      LYS  11   3.289   0.776  -1.797
   75    HZ3  LYS  11           HZ3      LYS  11   4.966   1.028  -1.806
   76    H    CYS  12           H        CYS  12   2.262   3.351  -2.101
   77    HA   CYS  12           HA       CYS  12   2.796   4.494   0.336
   78    HB2  CYS  12           HB2      CYS  12   1.637   2.511   1.252
   79    HB3  CYS  12           HB3      CYS  12   0.825   3.140  -0.178
   80    HA   PRO  13           HA       PRO  13   6.519   2.797   1.973
   81    HB2  PRO  13           HB2      PRO  13   5.815   1.904   4.460
   82    HB3  PRO  13           HB3      PRO  13   5.998   3.610   4.045
   83    HG2  PRO  13           HG2      PRO  13   3.500   1.968   4.186
   84    HG3  PRO  13           HG3      PRO  13   3.809   3.594   4.829
   85    HD2  PRO  13           HD2      PRO  13   2.491   3.246   2.534
   86    HD3  PRO  13           HD3      PRO  13   3.638   4.587   2.737
   87    H    THR  14           H        THR  14   3.742   0.661   2.113
   88    HA   THR  14           HA       THR  14   5.049  -1.691   2.892
   89    HB   THR  14           HB       THR  14   2.574  -1.576   1.174
   90    HG1  THR  14           HG1      THR  14   1.515  -0.816   2.854
   91   HG21  THR  14          HG21      THR  14   2.561  -3.783   1.486
   92   HG22  THR  14          HG22      THR  14   2.423  -3.507   3.223
   93   HG23  THR  14          HG23      THR  14   4.013  -3.681   2.481
   94    HA   PRO  15           HA       PRO  15   7.284  -2.467  -0.896
   95    HB2  PRO  15           HB2      PRO  15   8.200  -4.863   0.552
   96    HB3  PRO  15           HB3      PRO  15   9.139  -3.516  -0.097
   97    HG2  PRO  15           HG2      PRO  15   8.815  -3.807   2.526
   98    HG3  PRO  15           HG3      PRO  15   8.795  -2.201   1.773
   99    HD2  PRO  15           HD2      PRO  15   6.472  -3.908   2.623
  100    HD3  PRO  15           HD3      PRO  15   6.760  -2.179   2.927
  101    H    GLY  16           H        GLY  16   5.443  -4.964   0.836
  102    HA2  GLY  16           HA2      GLY  16   5.359  -6.690  -1.472
  103    HA3  GLY  16           HA3      GLY  16   4.595  -6.982   0.080
  104    H    CYS  17           H        CYS  17   3.798  -3.934  -0.838
  105    HA   CYS  17           HA       CYS  17   1.109  -4.717  -1.536
  106    HB2  CYS  17           HB2      CYS  17   1.823  -2.813   0.020
  107    HB3  CYS  17           HB3      CYS  17   2.232  -1.926  -1.438
  108    H    ASP  18           H        ASP  18   0.202  -2.878  -3.188
  109    HA   ASP  18           HA       ASP  18   1.910  -2.928  -5.585
  110    HB2  ASP  18           HB2      ASP  18   0.238  -3.677  -6.967
  111    HB3  ASP  18           HB3      ASP  18  -0.212  -4.515  -5.486
  112    H    GLY  19           H        GLY  19  -0.158  -1.249  -3.441
  113    HA2  GLY  19           HA2      GLY  19  -0.043   1.069  -3.130
  114    HA3  GLY  19           HA3      GLY  19   0.581   1.238  -4.760
  115    H    SER  20           H        SER  20  -2.064  -0.737  -4.981
  116    HA   SER  20           HA       SER  20  -3.813   1.577  -5.507
  117    HB2  SER  20           HB2      SER  20  -4.359  -0.960  -6.933
  118    HB3  SER  20           HB3      SER  20  -4.456   0.703  -7.511
  119    HG   SER  20           HG       SER  20  -2.262  -1.048  -7.415
  120    H    GLY  21           H        GLY  21  -6.098   1.225  -5.237
  121    HA2  GLY  21           HA2      GLY  21  -7.961   0.457  -4.157
  122    HA3  GLY  21           HA3      GLY  21  -7.169  -1.105  -4.058
  123    H    HIS  22           H        HIS  22  -8.396  -1.087  -2.028
  124    HA   HIS  22           HA       HIS  22  -6.639  -0.366   0.167
  125    HB2  HIS  22           HB2      HIS  22  -9.324   0.825  -0.235
  126    HB3  HIS  22           HB3      HIS  22  -9.007   0.201   1.371
  127    HD1  HIS  22           HD1      HIS  22  -8.754   2.277   2.688
  128    HD2  HIS  22           HD2      HIS  22  -6.484   2.346  -0.789
  129    HE1  HIS  22           HE1      HIS  22  -7.346   4.343   2.844
  130    HE2  HIS  22           HE2      HIS  22  -6.219   4.516   0.597
  131    H    ILE  23           H        ILE  23  -7.027  -1.687   2.051
  132    HA   ILE  23           HA       ILE  23  -8.018  -4.305   1.545
  133    HB   ILE  23           HB       ILE  23  -6.592  -3.039   3.627
  134   HG12  ILE  23          HG12      ILE  23  -6.111  -5.223   2.586
  135   HG13  ILE  23          HG13      ILE  23  -6.107  -5.304   4.344
  136   HG21  ILE  23          HG21      ILE  23  -8.392  -2.622   5.030
  137   HG22  ILE  23          HG22      ILE  23  -9.220  -4.110   4.572
  138   HG23  ILE  23          HG23      ILE  23  -7.789  -4.179   5.601
  139   HD11  ILE  23          HD11      ILE  23  -7.256  -7.162   2.950
  140   HD12  ILE  23          HD12      ILE  23  -8.026  -6.566   4.421
  141   HD13  ILE  23          HD13      ILE  23  -8.586  -6.007   2.844
  142    H    THR  24           H        THR  24  -9.309  -1.363   2.500
  143    HA   THR  24           HA       THR  24 -11.818  -1.838   3.566
  144    HB   THR  24           HB       THR  24 -11.240   0.163   1.408
  145    HG1  THR  24           HG1      THR  24 -10.569   0.756   4.073
  146   HG21  THR  24          HG21      THR  24 -12.773   1.511   2.488
  147   HG22  THR  24          HG22      THR  24 -12.678   0.588   3.989
  148   HG23  THR  24          HG23      THR  24 -13.473  -0.102   2.572
  149    H    GLY  25           H        GLY  25 -10.907  -1.428   0.158
  150    HA2  GLY  25           HA2      GLY  25 -11.792  -2.617  -1.693
  151    HA3  GLY  25           HA3      GLY  25 -13.128  -3.144  -0.678
  152    H    ASN  26           H        ASN  26 -12.245   0.142  -0.426
  153    HA   ASN  26           HA       ASN  26 -14.549   0.919  -2.084
  154    HB2  ASN  26           HB2      ASN  26 -13.846   1.533   0.735
  155    HB3  ASN  26           HB3      ASN  26 -14.579   2.829  -0.203
  156   HD21  ASN  26          HD21      ASN  26 -15.358   0.756   1.987
  157   HD22  ASN  26          HD22      ASN  26 -16.936   0.270   1.481
  158    H    TYR  27           H        TYR  27 -11.362   1.093  -2.187
  159    HA   TYR  27           HA       TYR  27 -11.352   3.900  -3.078
  160    HB2  TYR  27           HB2      TYR  27  -9.307   2.394  -1.476
  161    HB3  TYR  27           HB3      TYR  27  -8.830   3.757  -2.466
  162    HD1  TYR  27           HD2      TYR  27 -11.393   2.885   0.094
  163    HD2  TYR  27           HD1      TYR  27  -8.745   5.826  -1.449
  164    HE1  TYR  27           HE2      TYR  27 -12.037   4.401   1.917
  165    HE2  TYR  27           HE1      TYR  27  -9.364   7.356   0.376
  166    HH   TYR  27           HH       TYR  27 -11.660   7.523   1.931
  167    H    ALA  28           H        ALA  28  -9.509   4.341  -4.604
  168    HA   ALA  28           HA       ALA  28  -9.328   2.118  -6.516
  169    HB1  ALA  28           HB1      ALA  28 -10.335   4.182  -7.357
  170    HB2  ALA  28           HB2      ALA  28  -8.863   5.064  -6.952
  171    HB3  ALA  28           HB3      ALA  28  -8.827   3.811  -8.193
  172    H    SER  29           H        SER  29  -7.459   4.280  -4.510
  173    HA   SER  29           HA       SER  29  -5.124   2.669  -4.743
  174    HB2  SER  29           HB2      SER  29  -3.890   4.981  -5.561
  175    HB3  SER  29           HB3      SER  29  -4.262   3.614  -6.609
  176    HG   SER  29           HG       SER  29  -5.731   4.767  -7.587
  177    H    HIS  30           H        HIS  30  -3.208   3.822  -3.679
  178    HA   HIS  30           HA       HIS  30  -3.901   5.883  -1.788
  179    HB2  HIS  30           HB2      HIS  30  -3.148   4.568   0.166
  180    HB3  HIS  30           HB3      HIS  30  -4.628   3.942  -0.534
  181    HD1  HIS  30           HD1      HIS  30  -4.315   1.663  -2.005
  182    HD2  HIS  30           HD2      HIS  30  -1.129   2.823   0.407
  183    HE1  HIS  30           HE1      HIS  30  -2.772  -0.344  -1.825
  184    H    ARG  31           H        ARG  31  -1.868   6.288  -0.348
  185    HA   ARG  31           HA       ARG  31   0.565   5.860  -1.941
  186    HB2  ARG  31           HB2      ARG  31   0.143   8.553  -0.739
  187    HB3  ARG  31           HB3      ARG  31   1.051   8.096  -2.171
  188    HG2  ARG  31           HG2      ARG  31  -1.782   7.624  -2.516
  189    HG3  ARG  31           HG3      ARG  31  -1.440   9.300  -2.086
  190    HD2  ARG  31           HD2      ARG  31  -1.243   9.391  -4.371
  191    HD3  ARG  31           HD3      ARG  31   0.426   9.069  -3.906
  192    HE   ARG  31           HE       ARG  31  -0.011   6.705  -4.457
  193   HH11  ARG  31          HH12      ARG  31  -2.077   9.187  -5.819
  194   HH12  ARG  31          HH11      ARG  31  -2.577   8.203  -7.164
  195   HH21  ARG  31          HH22      ARG  31  -0.660   5.413  -6.229
  196   HH22  ARG  31          HH21      ARG  31  -1.769   6.064  -7.406
  197    H    SER  32           H        SER  32  -0.948   5.734   1.002
  198    HA   SER  32           HA       SER  32   1.631   5.605   2.394
  199    HB2  SER  32           HB2      SER  32  -0.347   6.607   4.211
  200    HB3  SER  32           HB3      SER  32   1.170   7.359   3.718
  201    HG   SER  32           HG       SER  32  -1.008   7.481   1.959
  202    H    LEU  33           H        LEU  33   1.075   4.730   4.780
  203    HA   LEU  33           HA       LEU  33  -0.150   2.166   4.378
  204    HB2  LEU  33           HB2      LEU  33   1.548   3.452   6.363
  205    HB3  LEU  33           HB3      LEU  33   0.313   2.447   7.097
  206    HG   LEU  33           HG       LEU  33   2.309   1.533   5.034
  207   HD11  LEU  33          HD11      LEU  33   2.490   0.170   7.528
  208   HD12  LEU  33          HD12      LEU  33   3.713   1.137   6.701
  209   HD13  LEU  33          HD13      LEU  33   2.586   1.907   7.819
  210   HD21  LEU  33          HD21      LEU  33   0.641   0.054   4.660
  211   HD22  LEU  33          HD22      LEU  33   1.345  -0.722   6.080
  212   HD23  LEU  33          HD23      LEU  33  -0.084   0.298   6.248
  213    H    SER  34           H        SER  34  -2.098   3.910   3.881
  214    HA   SER  34           HA       SER  34  -3.686   4.368   6.268
  215    HB2  SER  34           HB2      SER  34  -4.874   4.871   3.616
  216    HB3  SER  34           HB3      SER  34  -4.787   5.922   5.031
  217    HG   SER  34           HG       SER  34  -3.178   6.885   4.100
  218    H    GLY  35           H        GLY  35  -3.664   2.293   3.423
  219    HA2  GLY  35           HA2      GLY  35  -5.425   0.413   4.655
  220    HA3  GLY  35           HA3      GLY  35  -6.239   1.354   3.421
  221    H    CYS  36           H        CYS  36  -3.016  -0.134   3.678
  222    HA   CYS  36           HA       CYS  36  -2.828  -0.935   0.993
  223    HB2  CYS  36           HB2      CYS  36  -1.529  -1.945   3.529
  224    HB3  CYS  36           HB3      CYS  36  -1.150  -2.625   1.948
  225    HA   PRO  37           HA       PRO  37  -5.832  -4.301   1.372
  226    HB2  PRO  37           HB2      PRO  37  -6.195  -4.729  -1.246
  227    HB3  PRO  37           HB3      PRO  37  -6.887  -3.303  -0.444
  228    HG2  PRO  37           HG2      PRO  37  -4.400  -3.527  -2.112
  229    HG3  PRO  37           HG3      PRO  37  -5.652  -2.272  -2.130
  230    HD2  PRO  37           HD2      PRO  37  -3.252  -2.017  -0.829
  231    HD3  PRO  37           HD3      PRO  37  -4.730  -1.160  -0.354
  232    H    ARG  38           H        ARG  38  -2.730  -4.155   0.072
  233    HA   ARG  38           HA       ARG  38  -2.469  -7.063  -0.186
  234    HB2  ARG  38           HB2      ARG  38  -0.903  -4.715  -1.132
  235    HB3  ARG  38           HB3      ARG  38  -0.006  -6.157  -0.722
  236    HG2  ARG  38           HG2      ARG  38  -0.361  -6.535  -2.932
  237    HG3  ARG  38           HG3      ARG  38  -1.808  -7.303  -2.264
  238    HD2  ARG  38           HD2      ARG  38  -2.204  -4.492  -2.605
  239    HD3  ARG  38           HD3      ARG  38  -1.686  -5.219  -4.125
  240    HE   ARG  38           HE       ARG  38  -3.699  -6.819  -2.978
  241   HH11  ARG  38          HH12      ARG  38  -3.326  -3.669  -4.516
  242   HH12  ARG  38          HH11      ARG  38  -4.956  -3.662  -5.135
  243   HH21  ARG  38          HH22      ARG  38  -5.830  -6.781  -3.796
  244   HH22  ARG  38          HH21      ARG  38  -6.358  -5.421  -4.739
  245    H    ALA  39           H        ALA  39  -3.133  -5.951   2.240
  246    HA   ALA  39           HA       ALA  39  -1.205  -5.089   3.952
  247    HB1  ALA  39           HB1      ALA  39  -3.582  -5.181   4.493
  248    HB2  ALA  39           HB2      ALA  39  -3.481  -6.935   4.648
  249    HB3  ALA  39           HB3      ALA  39  -2.599  -5.899   5.770
  250    H    LYS  40           H        LYS  40   0.245  -5.942   5.312
  251    HA   LYS  40           HA       LYS  40   1.797  -8.058   4.550
  252    HB2  LYS  40           HB2      LYS  40   1.671  -7.388   7.456
  253    HB3  LYS  40           HB3      LYS  40   3.071  -7.614   6.417
  254    HG2  LYS  40           HG2      LYS  40   2.349  -5.427   5.285
  255    HG3  LYS  40           HG3      LYS  40   1.317  -5.189   6.698
  256    HD2  LYS  40           HD2      LYS  40   3.063  -4.706   8.035
  257    HD3  LYS  40           HD3      LYS  40   4.097  -5.934   7.304
  258    HE2  LYS  40           HE2      LYS  40   5.126  -3.914   6.741
  259    HE3  LYS  40           HE3      LYS  40   4.226  -4.357   5.290
  260    HZ1  LYS  40           HZ1      LYS  40   3.963  -2.008   5.861
  261    HZ2  LYS  40           HZ2      LYS  40   3.297  -2.432   7.362
  262    HZ3  LYS  40           HZ3      LYS  40   2.481  -2.830   5.930
  263    H    LYS  41           H        LYS  41  -0.725  -8.064   7.059
  264    HA   LYS  41           HA       LYS  41  -1.323 -10.802   6.525
  265    HB2  LYS  41           HB2      LYS  41   0.602 -10.274   8.556
  266    HB3  LYS  41           HB3      LYS  41  -0.872 -10.819   9.344
  267    HG2  LYS  41           HG2      LYS  41  -0.241 -12.447   7.040
  268    HG3  LYS  41           HG3      LYS  41   1.089 -12.408   8.199
  269    HD2  LYS  41           HD2      LYS  41  -1.181 -12.697   9.769
  270    HD3  LYS  41           HD3      LYS  41  -1.481 -13.735   8.376
  271    HE2  LYS  41           HE2      LYS  41  -0.335 -15.210   9.676
  272    HE3  LYS  41           HE3      LYS  41   1.027 -14.457   8.845
  273    HZ1  LYS  41           HZ1      LYS  41   0.575 -12.856  11.018
  274    HZ2  LYS  41           HZ2      LYS  41   1.808 -14.006  10.864
  275    HZ3  LYS  41           HZ3      LYS  41   0.347 -14.425  11.620
  276    H    SER  42           H        SER  42  -1.994 -10.293   9.739
  277    HA   SER  42           HA       SER  42  -4.758  -9.655   9.220
  278    HB2  SER  42           HB2      SER  42  -3.724  -9.635  12.004
  279    HB3  SER  42           HB3      SER  42  -5.143 -10.444  11.333
  280    HG   SER  42           HG       SER  42  -3.836 -12.066  10.533
  281    H    GLY  43           H        GLY  43  -3.694  -7.620   8.189
  282    HA2  GLY  43           HA2      GLY  43  -4.364  -5.248   8.726
  283    HA3  GLY  43           HA3      GLY  43  -3.464  -5.500  10.218
  284    H    LEU  44           H        LEU  44  -2.534  -3.457   8.976
  285    HA   LEU  44           HA       LEU  44  -0.376  -4.364   7.204
  286    HB2  LEU  44           HB2      LEU  44  -0.340  -1.603   7.203
  287    HB3  LEU  44           HB3      LEU  44  -1.030  -2.642   5.971
  288    HG   LEU  44           HG       LEU  44  -2.989  -2.360   7.993
  289   HD11  LEU  44          HD11      LEU  44  -1.819   0.283   7.137
  290   HD12  LEU  44          HD12      LEU  44  -3.305   0.052   8.058
  291   HD13  LEU  44          HD13      LEU  44  -1.752  -0.395   8.764
  292   HD21  LEU  44          HD21      LEU  44  -4.095  -1.011   6.103
  293   HD22  LEU  44          HD22      LEU  44  -2.657  -1.421   5.168
  294   HD23  LEU  44          HD23      LEU  44  -3.691  -2.702   5.799
  295    H    ARG  45           H        ARG  45  -0.987  -3.506  10.357
  296    HA   ARG  45           HA       ARG  45   1.869  -3.123  10.848
  297    HB2  ARG  45           HB2      ARG  45   0.043  -1.023  11.029
  298    HB3  ARG  45           HB3      ARG  45   0.252  -1.556  12.691
  299    HG2  ARG  45           HG2      ARG  45   2.822  -1.439  11.527
  300    HG3  ARG  45           HG3      ARG  45   1.977   0.049  11.098
  301    HD2  ARG  45           HD2      ARG  45   3.225   0.230  13.225
  302    HD3  ARG  45           HD3      ARG  45   1.492   0.503  13.413
  303    HE   ARG  45           HE       ARG  45   2.787  -2.072  14.075
  304   HH11  ARG  45          HH12      ARG  45   0.606   0.570  14.863
  305   HH12  ARG  45          HH11      ARG  45  -0.026  -0.214  16.283
  306   HH21  ARG  45          HH22      ARG  45   1.954  -3.095  15.940
  307   HH22  ARG  45          HH21      ARG  45   0.746  -2.289  16.901
  308    H    VAL  46           H        VAL  46   1.798  -5.322  11.485
  309    HA   VAL  46           HA       VAL  46   0.555  -5.721  14.122
  310    HB   VAL  46           HB       VAL  46   0.602  -8.262  13.188
  311   HG11  VAL  46          HG11      VAL  46  -1.309  -6.311  13.867
  312   HG12  VAL  46          HG12      VAL  46  -1.894  -7.117  12.412
  313   HG13  VAL  46          HG13      VAL  46  -1.500  -8.064  13.847
  314   HG21  VAL  46          HG21      VAL  46  -0.682  -7.094  10.838
  315   HG22  VAL  46          HG22      VAL  46   1.067  -6.861  10.877
  316   HG23  VAL  46          HG23      VAL  46   0.392  -8.487  10.970
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1   7.494  17.705  -0.708
    2    H2   GLY   1           H2       GLY   1   7.709  16.123  -0.137
    3    H3   GLY   1           H3       GLY   1   6.153  16.697  -0.482
    4    HA2  GLY   1           HA3      GLY   1   7.773  16.993  -2.767
    5    HA3  GLY   1           HA2      GLY   1   7.876  15.339  -2.181
    6    H    SER   2           H        SER   2   6.814  15.183  -4.429
    7    HA   SER   2           HA       SER   2   4.067  15.913  -4.649
    8    HB2  SER   2           HB2      SER   2   5.327  13.760  -6.319
    9    HB3  SER   2           HB3      SER   2   4.160  14.996  -6.789
   10    HG   SER   2           HG       SER   2   5.737  16.504  -6.851
   11    H    MET   3           H        MET   3   5.778  12.965  -3.758
   12    HA   MET   3           HA       MET   3   5.114  10.992  -2.860
   13    HB2  MET   3           HB2      MET   3   3.690  12.983  -1.527
   14    HB3  MET   3           HB3      MET   3   2.479  11.772  -1.922
   15    HG2  MET   3           HG2      MET   3   4.982  10.719  -0.805
   16    HG3  MET   3           HG3      MET   3   4.034  11.732   0.283
   17    HE1  MET   3           HE1      MET   3   3.314   8.375  -2.185
   18    HE2  MET   3           HE2      MET   3   4.777   8.629  -1.233
   19    HE3  MET   3           HE3      MET   3   3.563   7.471  -0.690
   20    H    ALA   4           H        ALA   4   4.545  11.414  -5.576
   21    HA   ALA   4           HA       ALA   4   2.837   9.260  -6.161
   22    HB1  ALA   4           HB1      ALA   4   1.283  11.157  -7.483
   23    HB2  ALA   4           HB2      ALA   4   0.809  10.184  -6.090
   24    HB3  ALA   4           HB3      ALA   4   1.481  11.796  -5.850
   25    H    ALA   5           H        ALA   5   5.141  11.439  -6.941
   26    HA   ALA   5           HA       ALA   5   4.743  11.568  -9.795
   27    HB1  ALA   5           HB1      ALA   5   6.180  13.043  -7.905
   28    HB2  ALA   5           HB2      ALA   5   7.392  12.304  -8.953
   29    HB3  ALA   5           HB3      ALA   5   6.117  13.305  -9.649
   30    H    HIS   6           H        HIS   6   7.228  11.235 -10.861
   31    HA   HIS   6           HA       HIS   6   7.496   8.355 -10.881
   32    HB2  HIS   6           HB2      HIS   6   7.726  10.091 -12.870
   33    HB3  HIS   6           HB3      HIS   6   9.402  10.147 -12.334
   34    HD1  HIS   6           HD1      HIS   6  10.488   8.905 -14.225
   35    HD2  HIS   6           HD2      HIS   6   7.295   6.828 -12.559
   36    HE1  HIS   6           HE1      HIS   6  10.534   6.625 -15.290
   37    HE2  HIS   6           HE2      HIS   6   8.504   5.434 -14.376
   38    H    SER   7           H        SER   7   8.059   8.923  -8.428
   39    HA   SER   7           HA       SER   7  10.981   9.116  -8.179
   40    HB2  SER   7           HB2      SER   7   9.329   9.327  -5.742
   41    HB3  SER   7           HB3      SER   7  10.669  10.337  -6.287
   42    HG   SER   7           HG       SER   7   9.223  11.337  -7.760
   43    H    ALA   8           H        ALA   8  11.208   8.027  -5.599
   44    HA   ALA   8           HA       ALA   8  10.795   5.189  -6.206
   45    HB1  ALA   8           HB1      ALA   8  12.476   6.518  -4.081
   46    HB2  ALA   8           HB2      ALA   8  12.403   4.785  -4.399
   47    HB3  ALA   8           HB3      ALA   8  13.057   5.879  -5.619
   48    H    ASP   9           H        ASP   9   9.219   7.598  -4.678
   49    HA   ASP   9           HA       ASP   9   7.779   5.717  -2.940
   50    HB2  ASP   9           HB2      ASP   9   9.455   7.398  -1.762
   51    HB3  ASP   9           HB3      ASP   9   8.148   8.546  -2.028
   52    H    LEU  10           H        LEU  10   6.784   5.989  -5.231
   53    HA   LEU  10           HA       LEU  10   4.936   8.252  -5.378
   54    HB2  LEU  10           HB2      LEU  10   4.250   7.273  -7.517
   55    HB3  LEU  10           HB3      LEU  10   5.984   7.522  -7.456
   56    HG   LEU  10           HG       LEU  10   5.608   4.898  -6.568
   57   HD11  LEU  10          HD11      LEU  10   4.423   4.160  -8.839
   58   HD12  LEU  10          HD12      LEU  10   3.528   4.428  -7.342
   59   HD13  LEU  10          HD13      LEU  10   3.582   5.688  -8.576
   60   HD21  LEU  10          HD21      LEU  10   7.171   6.256  -8.352
   61   HD22  LEU  10          HD22      LEU  10   7.191   4.510  -8.101
   62   HD23  LEU  10          HD23      LEU  10   6.229   5.203  -9.407
   63    H    LYS  11           H        LYS  11   5.177   5.054  -4.295
   64    HA   LYS  11           HA       LYS  11   2.278   4.889  -3.923
   65    HB2  LYS  11           HB2      LYS  11   2.461   2.484  -4.033
   66    HB3  LYS  11           HB3      LYS  11   3.219   3.181  -5.451
   67    HG2  LYS  11           HG2      LYS  11   5.346   2.604  -4.780
   68    HG3  LYS  11           HG3      LYS  11   4.893   2.494  -3.078
   69    HD2  LYS  11           HD2      LYS  11   3.302   0.592  -4.241
   70    HD3  LYS  11           HD3      LYS  11   4.792   0.472  -5.180
   71    HE2  LYS  11           HE2      LYS  11   5.127  -1.007  -3.411
   72    HE3  LYS  11           HE3      LYS  11   5.982   0.452  -2.914
   73    HZ1  LYS  11           HZ1      LYS  11   4.302  -0.808  -1.334
   74    HZ2  LYS  11           HZ2      LYS  11   3.188   0.214  -2.097
   75    HZ3  LYS  11           HZ3      LYS  11   4.511   0.870  -1.273
   76    H    CYS  12           H        CYS  12   2.502   2.690  -2.136
   77    HA   CYS  12           HA       CYS  12   2.824   4.233   0.252
   78    HB2  CYS  12           HB2      CYS  12   1.824   2.065   1.213
   79    HB3  CYS  12           HB3      CYS  12   0.843   3.000   0.092
   80    HA   PRO  13           HA       PRO  13   6.487   2.410   1.953
   81    HB2  PRO  13           HB2      PRO  13   5.792   1.597   4.453
   82    HB3  PRO  13           HB3      PRO  13   5.961   3.298   4.007
   83    HG2  PRO  13           HG2      PRO  13   3.476   1.643   4.201
   84    HG3  PRO  13           HG3      PRO  13   3.779   3.284   4.808
   85    HD2  PRO  13           HD2      PRO  13   2.451   2.850   2.513
   86    HD3  PRO  13           HD3      PRO  13   3.542   4.235   2.715
   87    H    THR  14           H        THR  14   3.637   0.340   2.353
   88    HA   THR  14           HA       THR  14   4.865  -2.040   3.048
   89    HB   THR  14           HB       THR  14   2.421  -1.791   1.293
   90    HG1  THR  14           HG1      THR  14   1.359  -1.112   3.009
   91   HG21  THR  14          HG21      THR  14   3.496  -4.068   1.699
   92   HG22  THR  14          HG22      THR  14   1.787  -3.908   2.101
   93   HG23  THR  14          HG23      THR  14   3.001  -3.874   3.381
   94    HA   PRO  15           HA       PRO  15   7.311  -2.838  -0.583
   95    HB2  PRO  15           HB2      PRO  15   7.648  -5.486   0.706
   96    HB3  PRO  15           HB3      PRO  15   8.870  -4.322   0.186
   97    HG2  PRO  15           HG2      PRO  15   8.336  -4.656   2.762
   98    HG3  PRO  15           HG3      PRO  15   8.655  -3.039   2.104
   99    HD2  PRO  15           HD2      PRO  15   6.035  -4.312   2.813
  100    HD3  PRO  15           HD3      PRO  15   6.596  -2.652   3.108
  101    H    GLY  16           H        GLY  16   5.161  -5.429   0.619
  102    HA2  GLY  16           HA2      GLY  16   5.070  -6.704  -1.941
  103    HA3  GLY  16           HA3      GLY  16   4.144  -7.157  -0.522
  104    H    CYS  17           H        CYS  17   3.352  -4.146  -0.558
  105    HA   CYS  17           HA       CYS  17   0.950  -4.546  -2.140
  106    HB2  CYS  17           HB2      CYS  17   0.870  -3.642   0.175
  107    HB3  CYS  17           HB3      CYS  17   1.776  -2.239  -0.369
  108    H    ASP  18           H        ASP  18   0.271  -3.002  -3.739
  109    HA   ASP  18           HA       ASP  18   2.585  -1.888  -5.157
  110    HB2  ASP  18           HB2      ASP  18   1.562  -2.385  -7.146
  111    HB3  ASP  18           HB3      ASP  18   0.830  -3.623  -6.130
  112    H    GLY  19           H        GLY  19  -0.181  -0.938  -3.419
  113    HA2  GLY  19           HA2      GLY  19  -0.419   1.321  -2.713
  114    HA3  GLY  19           HA3      GLY  19   0.375   1.839  -4.191
  115    H    SER  20           H        SER  20  -1.790  -0.438  -5.150
  116    HA   SER  20           HA       SER  20  -3.828   1.622  -5.656
  117    HB2  SER  20           HB2      SER  20  -3.661  -0.991  -7.140
  118    HB3  SER  20           HB3      SER  20  -4.395   0.530  -7.652
  119    HG   SER  20           HG       SER  20  -1.735  -0.301  -7.721
  120    H    GLY  21           H        GLY  21  -6.036   1.071  -5.433
  121    HA2  GLY  21           HA2      GLY  21  -7.847  -0.055  -4.529
  122    HA3  GLY  21           HA3      GLY  21  -6.789  -1.410  -4.166
  123    H    HIS  22           H        HIS  22  -8.191  -1.324  -2.218
  124    HA   HIS  22           HA       HIS  22  -6.686  -0.148  -0.057
  125    HB2  HIS  22           HB2      HIS  22  -9.377   0.864  -0.760
  126    HB3  HIS  22           HB3      HIS  22  -9.152   0.443   0.930
  127    HD1  HIS  22           HD1      HIS  22  -8.583   2.395   2.272
  128    HD2  HIS  22           HD2      HIS  22  -7.007   2.704  -1.561
  129    HE1  HIS  22           HE1      HIS  22  -7.405   4.605   2.204
  130    HE2  HIS  22           HE2      HIS  22  -6.651   4.869  -0.180
  131    H    ILE  23           H        ILE  23  -7.209  -1.120   1.988
  132    HA   ILE  23           HA       ILE  23  -7.981  -3.855   1.787
  133    HB   ILE  23           HB       ILE  23  -6.669  -2.237   3.701
  134   HG12  ILE  23          HG12      ILE  23  -5.717  -4.288   3.144
  135   HG13  ILE  23          HG13      ILE  23  -6.302  -4.550   4.781
  136   HG21  ILE  23          HG21      ILE  23  -9.201  -2.440   4.631
  137   HG22  ILE  23          HG22      ILE  23  -8.465  -3.877   5.340
  138   HG23  ILE  23          HG23      ILE  23  -7.771  -2.285   5.652
  139   HD11  ILE  23          HD11      ILE  23  -8.381  -5.276   3.009
  140   HD12  ILE  23          HD12      ILE  23  -6.887  -6.012   2.428
  141   HD13  ILE  23          HD13      ILE  23  -7.431  -6.309   4.077
  142    H    THR  24           H        THR  24  -9.634  -0.902   2.340
  143    HA   THR  24           HA       THR  24 -11.986  -2.084   3.510
  144    HB   THR  24           HB       THR  24 -11.235   0.283   3.962
  145    HG1  THR  24           HG1      THR  24 -13.587  -0.708   3.925
  146   HG21  THR  24          HG21      THR  24 -12.635   1.313   1.615
  147   HG22  THR  24          HG22      THR  24 -11.116   0.500   1.239
  148   HG23  THR  24          HG23      THR  24 -11.136   1.851   2.371
  149    H    GLY  25           H        GLY  25 -10.724  -1.890   0.392
  150    HA2  GLY  25           HA2      GLY  25 -11.567  -2.360  -1.689
  151    HA3  GLY  25           HA3      GLY  25 -12.852  -3.198  -0.832
  152    H    ASN  26           H        ASN  26 -12.192   0.238  -0.597
  153    HA   ASN  26           HA       ASN  26 -14.757   0.770  -1.943
  154    HB2  ASN  26           HB2      ASN  26 -13.722   1.633   0.710
  155    HB3  ASN  26           HB3      ASN  26 -14.656   2.805  -0.204
  156   HD21  ASN  26          HD21      ASN  26 -14.870   0.570   2.108
  157   HD22  ASN  26          HD22      ASN  26 -16.531   0.145   1.943
  158    H    TYR  27           H        TYR  27 -11.521   1.259  -2.216
  159    HA   TYR  27           HA       TYR  27 -11.888   3.923  -3.414
  160    HB2  TYR  27           HB2      TYR  27  -9.619   2.842  -1.754
  161    HB3  TYR  27           HB3      TYR  27  -9.435   4.251  -2.785
  162    HD1  TYR  27           HD1      TYR  27 -11.288   2.921   0.138
  163    HD2  TYR  27           HD2      TYR  27 -10.194   6.383  -2.086
  164    HE1  TYR  27           HE1      TYR  27 -12.163   4.352   1.936
  165    HE2  TYR  27           HE2      TYR  27 -11.069   7.817  -0.292
  166    HH   TYR  27           HH       TYR  27 -12.974   6.588   2.286
  167    H    ALA  28           H        ALA  28  -9.637   4.351  -4.706
  168    HA   ALA  28           HA       ALA  28  -9.497   2.133  -6.638
  169    HB1  ALA  28           HB1      ALA  28  -9.976   4.886  -6.985
  170    HB2  ALA  28           HB2      ALA  28  -8.381   4.557  -7.664
  171    HB3  ALA  28           HB3      ALA  28  -9.784   3.652  -8.231
  172    H    SER  29           H        SER  29  -7.571   4.393  -4.730
  173    HA   SER  29           HA       SER  29  -5.330   2.614  -4.749
  174    HB2  SER  29           HB2      SER  29  -4.024   4.889  -5.664
  175    HB3  SER  29           HB3      SER  29  -4.298   3.410  -6.581
  176    HG   SER  29           HG       SER  29  -5.372   4.676  -7.867
  177    H    HIS  30           H        HIS  30  -3.376   3.744  -3.673
  178    HA   HIS  30           HA       HIS  30  -4.084   5.911  -1.884
  179    HB2  HIS  30           HB2      HIS  30  -3.351   4.640   0.123
  180    HB3  HIS  30           HB3      HIS  30  -4.837   4.016  -0.579
  181    HD1  HIS  30           HD1      HIS  30  -4.622   1.676  -1.873
  182    HD2  HIS  30           HD2      HIS  30  -1.265   2.898   0.269
  183    HE1  HIS  30           HE1      HIS  30  -3.111  -0.350  -1.676
  184    H    ARG  31           H        ARG  31  -1.859   5.748  -0.179
  185    HA   ARG  31           HA       ARG  31   0.504   5.340  -1.779
  186    HB2  ARG  31           HB2      ARG  31   1.292   7.686  -1.602
  187    HB3  ARG  31           HB3      ARG  31  -0.114   7.506  -2.640
  188    HG2  ARG  31           HG2      ARG  31  -1.221   8.040  -0.180
  189    HG3  ARG  31           HG3      ARG  31   0.226   9.051  -0.207
  190    HD2  ARG  31           HD2      ARG  31  -1.690   8.968  -2.515
  191    HD3  ARG  31           HD3      ARG  31  -1.944  10.042  -1.141
  192    HE   ARG  31           HE       ARG  31   0.514  10.127  -2.779
  193   HH11  ARG  31          HH12      ARG  31  -2.140  11.719  -1.133
  194   HH12  ARG  31          HH11      ARG  31  -1.630  13.317  -1.594
  195   HH21  ARG  31          HH22      ARG  31   1.194  12.222  -3.364
  196   HH22  ARG  31          HH21      ARG  31   0.270  13.603  -2.859
  197    H    SER  32           H        SER  32  -0.939   4.973   0.991
  198    HA   SER  32           HA       SER  32   1.538   4.906   2.482
  199    HB2  SER  32           HB2      SER  32  -0.336   6.019   4.302
  200    HB3  SER  32           HB3      SER  32   1.162   6.743   3.719
  201    HG   SER  32           HG       SER  32  -1.269   6.861   2.262
  202    H    LEU  33           H        LEU  33   0.976   3.947   4.791
  203    HA   LEU  33           HA       LEU  33  -0.383   1.486   4.286
  204    HB2  LEU  33           HB2      LEU  33   1.403   2.593   6.285
  205    HB3  LEU  33           HB3      LEU  33   0.126   1.642   7.019
  206    HG   LEU  33           HG       LEU  33   1.742   0.549   4.752
  207   HD11  LEU  33          HD11      LEU  33   3.434   1.158   6.280
  208   HD12  LEU  33          HD12      LEU  33   2.470   0.647   7.667
  209   HD13  LEU  33          HD13      LEU  33   3.125  -0.557   6.557
  210   HD21  LEU  33          HD21      LEU  33   0.754  -1.421   5.240
  211   HD22  LEU  33          HD22      LEU  33   0.785  -1.123   6.980
  212   HD23  LEU  33          HD23      LEU  33  -0.473  -0.393   5.982
  213    H    SER  34           H        SER  34  -2.092   3.793   4.175
  214    HA   SER  34           HA       SER  34  -3.761   3.680   6.547
  215    HB2  SER  34           HB2      SER  34  -4.916   5.108   4.328
  216    HB3  SER  34           HB3      SER  34  -4.352   5.738   5.878
  217    HG   SER  34           HG       SER  34  -2.341   6.035   5.043
  218    H    GLY  35           H        GLY  35  -3.636   2.430   3.303
  219    HA2  GLY  35           HA2      GLY  35  -5.978   0.784   3.858
  220    HA3  GLY  35           HA3      GLY  35  -6.085   1.871   2.486
  221    H    CYS  36           H        CYS  36  -3.260   0.060   3.580
  222    HA   CYS  36           HA       CYS  36  -2.705  -0.938   0.977
  223    HB2  CYS  36           HB2      CYS  36  -1.603  -1.432   3.724
  224    HB3  CYS  36           HB3      CYS  36  -1.123  -2.476   2.388
  225    HA   PRO  37           HA       PRO  37  -5.581  -4.405   1.426
  226    HB2  PRO  37           HB2      PRO  37  -5.558  -5.157  -1.160
  227    HB3  PRO  37           HB3      PRO  37  -6.471  -3.751  -0.603
  228    HG2  PRO  37           HG2      PRO  37  -3.820  -3.865  -1.975
  229    HG3  PRO  37           HG3      PRO  37  -5.163  -2.732  -2.222
  230    HD2  PRO  37           HD2      PRO  37  -2.930  -2.162  -0.730
  231    HD3  PRO  37           HD3      PRO  37  -4.511  -1.397  -0.487
  232    H    ARG  38           H        ARG  38  -2.319  -4.252   0.462
  233    HA   ARG  38           HA       ARG  38  -2.025  -7.161   0.841
  234    HB2  ARG  38           HB2      ARG  38  -0.561  -5.290  -1.009
  235    HB3  ARG  38           HB3      ARG  38   0.134  -6.830  -0.526
  236    HG2  ARG  38           HG2      ARG  38  -1.250  -8.019  -1.841
  237    HG3  ARG  38           HG3      ARG  38  -2.620  -6.942  -1.553
  238    HD2  ARG  38           HD2      ARG  38  -1.022  -5.297  -2.961
  239    HD3  ARG  38           HD3      ARG  38  -0.537  -6.849  -3.641
  240    HE   ARG  38           HE       ARG  38  -3.379  -6.554  -3.529
  241   HH11  ARG  38          HH12      ARG  38  -0.523  -5.750  -5.404
  242   HH12  ARG  38          HH11      ARG  38  -1.404  -5.551  -6.893
  243   HH21  ARG  38          HH22      ARG  38  -4.528  -6.330  -5.476
  244   HH22  ARG  38          HH21      ARG  38  -3.691  -5.906  -6.941
  245    H    ALA  39           H        ALA  39  -2.067  -5.105   2.852
  246    HA   ALA  39           HA       ALA  39   0.477  -4.249   3.635
  247    HB1  ALA  39           HB1      ALA  39  -1.909  -4.809   5.393
  248    HB2  ALA  39           HB2      ALA  39  -0.509  -3.821   5.814
  249    HB3  ALA  39           HB3      ALA  39  -1.599  -3.304   4.528
  250    H    LYS  40           H        LYS  40   2.125  -5.536   3.958
  251    HA   LYS  40           HA       LYS  40   3.489  -7.131   4.797
  252    HB2  LYS  40           HB2      LYS  40   1.238  -7.289   6.771
  253    HB3  LYS  40           HB3      LYS  40   2.542  -8.468   6.825
  254    HG2  LYS  40           HG2      LYS  40   3.919  -7.030   7.809
  255    HG3  LYS  40           HG3      LYS  40   3.550  -5.762   6.639
  256    HD2  LYS  40           HD2      LYS  40   1.308  -5.598   7.986
  257    HD3  LYS  40           HD3      LYS  40   2.255  -6.372   9.257
  258    HE2  LYS  40           HE2      LYS  40   2.856  -4.281   9.797
  259    HE3  LYS  40           HE3      LYS  40   3.954  -4.418   8.426
  260    HZ1  LYS  40           HZ1      LYS  40   1.203  -3.507   7.955
  261    HZ2  LYS  40           HZ2      LYS  40   2.626  -3.126   7.109
  262    HZ3  LYS  40           HZ3      LYS  40   2.318  -2.415   8.619
  263    H    LYS  41           H        LYS  41   3.699  -9.533   5.090
  264    HA   LYS  41           HA       LYS  41   2.020 -10.864   3.096
  265    HB2  LYS  41           HB2      LYS  41   4.695 -10.830   3.299
  266    HB3  LYS  41           HB3      LYS  41   4.366 -12.227   4.312
  267    HG2  LYS  41           HG2      LYS  41   3.957 -13.518   2.556
  268    HG3  LYS  41           HG3      LYS  41   2.886 -12.321   1.826
  269    HD2  LYS  41           HD2      LYS  41   5.058 -11.075   1.222
  270    HD3  LYS  41           HD3      LYS  41   5.853 -12.618   1.540
  271    HE2  LYS  41           HE2      LYS  41   3.627 -12.147  -0.437
  272    HE3  LYS  41           HE3      LYS  41   5.332 -12.361  -0.833
  273    HZ1  LYS  41           HZ1      LYS  41   3.359 -14.343   0.042
  274    HZ2  LYS  41           HZ2      LYS  41   4.982 -14.576   0.499
  275    HZ3  LYS  41           HZ3      LYS  41   4.568 -14.467  -1.140
  276    H    SER  42           H        SER  42   1.776 -13.333   3.641
  277    HA   SER  42           HA       SER  42   0.039 -13.646   5.782
  278    HB2  SER  42           HB2      SER  42   1.498 -16.075   5.018
  279    HB3  SER  42           HB3      SER  42  -0.226 -15.714   4.907
  280    HG   SER  42           HG       SER  42   0.026 -14.960   2.921
  281    H    GLY  43           H        GLY  43   0.338 -13.863   7.905
  282    HA2  GLY  43           HA2      GLY  43   1.428 -14.636   9.863
  283    HA3  GLY  43           HA3      GLY  43   2.882 -14.921   8.917
  284    H    LEU  44           H        LEU  44   0.890 -12.021   9.039
  285    HA   LEU  44           HA       LEU  44   3.161 -10.335   9.334
  286    HB2  LEU  44           HB2      LEU  44   1.149  -8.676   9.950
  287    HB3  LEU  44           HB3      LEU  44   1.570  -9.113   8.306
  288    HG   LEU  44           HG       LEU  44  -0.240 -11.080   9.115
  289   HD11  LEU  44          HD11      LEU  44  -2.059 -10.052  10.124
  290   HD12  LEU  44          HD12      LEU  44  -0.684  -9.400  11.016
  291   HD13  LEU  44          HD13      LEU  44  -1.465  -8.430   9.768
  292   HD21  LEU  44          HD21      LEU  44  -0.335  -8.680   7.342
  293   HD22  LEU  44          HD22      LEU  44  -0.330 -10.391   6.915
  294   HD23  LEU  44          HD23      LEU  44  -1.785  -9.654   7.587
  295    H    ARG  45           H        ARG  45   0.870 -11.759  11.560
  296    HA   ARG  45           HA       ARG  45   2.531 -10.938  13.788
  297    HB2  ARG  45           HB2      ARG  45   0.320  -9.356  13.107
  298    HB3  ARG  45           HB3      ARG  45  -0.221 -10.336  14.463
  299    HG2  ARG  45           HG2      ARG  45   0.858  -9.021  15.871
  300    HG3  ARG  45           HG3      ARG  45   2.382  -9.352  15.043
  301    HD2  ARG  45           HD2      ARG  45   0.413  -7.328  14.017
  302    HD3  ARG  45           HD3      ARG  45   1.644  -6.918  15.211
  303    HE   ARG  45           HE       ARG  45   2.526  -8.169  12.719
  304   HH11  ARG  45          HH12      ARG  45   2.258  -5.302  14.710
  305   HH12  ARG  45          HH11      ARG  45   3.423  -4.398  13.787
  306   HH21  ARG  45          HH22      ARG  45   4.045  -6.973  11.481
  307   HH22  ARG  45          HH21      ARG  45   4.437  -5.343  11.960
  308    H    VAL  46           H        VAL  46   2.516 -13.408  13.221
  309    HA   VAL  46           HA       VAL  46   0.255 -14.911  14.119
  310    HB   VAL  46           HB       VAL  46   2.876 -16.263  14.218
  311   HG11  VAL  46          HG11      VAL  46   1.687 -18.060  13.489
  312   HG12  VAL  46          HG12      VAL  46   0.366 -17.123  14.185
  313   HG13  VAL  46          HG13      VAL  46   0.646 -17.092  12.445
  314   HG21  VAL  46          HG21      VAL  46   1.969 -14.799  11.787
  315   HG22  VAL  46          HG22      VAL  46   3.601 -15.089  12.388
  316   HG23  VAL  46          HG23      VAL  46   2.711 -16.388  11.593
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  16.541   8.360  -1.765
    2    H2   GLY   1           H2       GLY   1  15.389   7.163  -1.433
    3    H3   GLY   1           H3       GLY   1  14.906   8.633  -2.124
    4    HA2  GLY   1           HA3      GLY   1  16.859   6.932  -3.515
    5    HA3  GLY   1           HA2      GLY   1  15.145   6.553  -3.611
    6    H    SER   2           H        SER   2  13.753   7.944  -4.698
    7    HA   SER   2           HA       SER   2  15.131   9.791  -6.521
    8    HB2  SER   2           HB2      SER   2  12.388   8.653  -7.002
    9    HB3  SER   2           HB3      SER   2  13.563   9.248  -8.178
   10    HG   SER   2           HG       SER   2  13.780   7.109  -8.340
   11    H    MET   3           H        MET   3  13.547  11.516  -7.416
   12    HA   MET   3           HA       MET   3  12.540  12.991  -5.126
   13    HB2  MET   3           HB2      MET   3  13.897  13.813  -7.284
   14    HB3  MET   3           HB3      MET   3  12.263  14.048  -7.887
   15    HG2  MET   3           HG2      MET   3  11.747  15.555  -6.123
   16    HG3  MET   3           HG3      MET   3  13.252  15.177  -5.285
   17    HE1  MET   3           HE1      MET   3  14.004  18.754  -6.121
   18    HE2  MET   3           HE2      MET   3  12.284  18.467  -6.390
   19    HE3  MET   3           HE3      MET   3  13.112  17.673  -5.049
   20    H    ALA   4           H        ALA   4  10.678  11.968  -4.521
   21    HA   ALA   4           HA       ALA   4   8.389  12.357  -6.292
   22    HB1  ALA   4           HB1      ALA   4   8.190  10.189  -6.754
   23    HB2  ALA   4           HB2      ALA   4   9.539   9.791  -5.687
   24    HB3  ALA   4           HB3      ALA   4   7.901   9.894  -5.039
   25    H    ALA   5           H        ALA   5   8.021  14.098  -4.798
   26    HA   ALA   5           HA       ALA   5   7.464  13.388  -2.032
   27    HB1  ALA   5           HB1      ALA   5   7.874  15.914  -3.531
   28    HB2  ALA   5           HB2      ALA   5   6.924  15.975  -2.046
   29    HB3  ALA   5           HB3      ALA   5   8.578  15.366  -2.009
   30    H    HIS   6           H        HIS   6   5.731  13.548  -4.900
   31    HA   HIS   6           HA       HIS   6   3.224  13.841  -3.381
   32    HB2  HIS   6           HB2      HIS   6   2.287  14.426  -5.796
   33    HB3  HIS   6           HB3      HIS   6   2.936  15.664  -4.734
   34    HD1  HIS   6           HD1      HIS   6   3.287  14.246  -8.069
   35    HD2  HIS   6           HD2      HIS   6   5.667  16.433  -5.449
   36    HE1  HIS   6           HE1      HIS   6   5.124  15.225  -9.477
   37    HE2  HIS   6           HE2      HIS   6   6.417  16.710  -7.907
   38    H    SER   7           H        SER   7   1.439  12.963  -5.264
   39    HA   SER   7           HA       SER   7   1.590  10.203  -4.940
   40    HB2  SER   7           HB2      SER   7  -0.109  10.951  -7.164
   41    HB3  SER   7           HB3      SER   7  -0.557  10.338  -5.572
   42    HG   SER   7           HG       SER   7  -1.375  12.454  -5.969
   43    H    ALA   8           H        ALA   8   3.351   9.194  -5.763
   44    HA   ALA   8           HA       ALA   8   3.546   9.053  -8.691
   45    HB1  ALA   8           HB1      ALA   8   5.274  10.625  -7.879
   46    HB2  ALA   8           HB2      ALA   8   5.924   9.344  -6.858
   47    HB3  ALA   8           HB3      ALA   8   5.963   9.177  -8.613
   48    H    ASP   9           H        ASP   9   4.966   7.142  -9.333
   49    HA   ASP   9           HA       ASP   9   4.068   4.844  -7.819
   50    HB2  ASP   9           HB2      ASP   9   4.239   5.105 -10.409
   51    HB3  ASP   9           HB3      ASP   9   5.929   4.680 -10.171
   52    H    LEU  10           H        LEU  10   5.650   6.169  -6.160
   53    HA   LEU  10           HA       LEU  10   8.291   4.905  -6.211
   54    HB2  LEU  10           HB2      LEU  10   8.933   6.392  -4.502
   55    HB3  LEU  10           HB3      LEU  10   7.965   7.357  -5.600
   56    HG   LEU  10           HG       LEU  10   6.440   6.160  -3.391
   57   HD11  LEU  10          HD11      LEU  10   8.915   7.070  -2.669
   58   HD12  LEU  10          HD12      LEU  10   7.907   8.503  -2.461
   59   HD13  LEU  10          HD13      LEU  10   7.500   7.008  -1.619
   60   HD21  LEU  10          HD21      LEU  10   5.397   7.742  -4.839
   61   HD22  LEU  10          HD22      LEU  10   5.617   8.514  -3.268
   62   HD23  LEU  10          HD23      LEU  10   6.703   8.904  -4.601
   63    H    LYS  11           H        LYS  11   5.305   4.077  -5.468
   64    HA   LYS  11           HA       LYS  11   4.346   2.393  -4.342
   65    HB2  LYS  11           HB2      LYS  11   7.189   1.804  -3.550
   66    HB3  LYS  11           HB3      LYS  11   5.831   0.837  -2.989
   67    HG2  LYS  11           HG2      LYS  11   6.551   1.302  -5.873
   68    HG3  LYS  11           HG3      LYS  11   6.948  -0.139  -4.939
   69    HD2  LYS  11           HD2      LYS  11   4.686  -0.768  -4.750
   70    HD3  LYS  11           HD3      LYS  11   4.119   0.827  -5.252
   71    HE2  LYS  11           HE2      LYS  11   5.755  -0.137  -7.331
   72    HE3  LYS  11           HE3      LYS  11   4.712  -1.477  -6.855
   73    HZ1  LYS  11           HZ1      LYS  11   2.910   0.422  -6.949
   74    HZ2  LYS  11           HZ2      LYS  11   3.359  -0.445  -8.331
   75    HZ3  LYS  11           HZ3      LYS  11   4.009   1.100  -8.051
   76    H    CYS  12           H        CYS  12   3.312   2.107  -2.453
   77    HA   CYS  12           HA       CYS  12   3.518   4.199  -0.507
   78    HB2  CYS  12           HB2      CYS  12   1.795   2.377   0.550
   79    HB3  CYS  12           HB3      CYS  12   1.337   3.574  -0.656
   80    HA   PRO  13           HA       PRO  13   5.997   2.577   2.734
   81    HB2  PRO  13           HB2      PRO  13   3.610   1.853   4.379
   82    HB3  PRO  13           HB3      PRO  13   5.055   2.761   4.832
   83    HG2  PRO  13           HG2      PRO  13   2.792   4.042   4.343
   84    HG3  PRO  13           HG3      PRO  13   4.334   4.698   3.759
   85    HD2  PRO  13           HD2      PRO  13   2.176   3.301   2.250
   86    HD3  PRO  13           HD3      PRO  13   3.237   4.629   1.738
   87    H    THR  14           H        THR  14   3.319   0.466   1.873
   88    HA   THR  14           HA       THR  14   4.574  -1.888   2.985
   89    HB   THR  14           HB       THR  14   2.182  -1.717   1.156
   90    HG1  THR  14           HG1      THR  14   1.231  -0.945   2.874
   91   HG21  THR  14          HG21      THR  14   2.849  -3.914   3.094
   92   HG22  THR  14          HG22      THR  14   3.449  -3.937   1.437
   93   HG23  THR  14          HG23      THR  14   1.713  -3.940   1.747
   94    HA   PRO  15           HA       PRO  15   7.218  -2.468  -0.523
   95    HB2  PRO  15           HB2      PRO  15   7.680  -5.104   0.744
   96    HB3  PRO  15           HB3      PRO  15   8.839  -3.839   0.326
   97    HG2  PRO  15           HG2      PRO  15   8.183  -4.277   2.854
   98    HG3  PRO  15           HG3      PRO  15   8.412  -2.625   2.250
   99    HD2  PRO  15           HD2      PRO  15   5.859  -4.121   2.742
  100    HD3  PRO  15           HD3      PRO  15   6.272  -2.443   3.151
  101    H    GLY  16           H        GLY  16   5.164  -5.183   0.580
  102    HA2  GLY  16           HA2      GLY  16   5.231  -6.410  -2.016
  103    HA3  GLY  16           HA3      GLY  16   4.318  -6.962  -0.625
  104    H    CYS  17           H        CYS  17   3.673  -3.742  -1.122
  105    HA   CYS  17           HA       CYS  17   1.042  -4.355  -2.152
  106    HB2  CYS  17           HB2      CYS  17   1.672  -2.768  -0.231
  107    HB3  CYS  17           HB3      CYS  17   2.120  -1.633  -1.496
  108    H    ASP  18           H        ASP  18   0.201  -2.376  -3.638
  109    HA   ASP  18           HA       ASP  18   2.114  -2.094  -5.864
  110    HB2  ASP  18           HB2      ASP  18   0.610  -2.770  -7.460
  111    HB3  ASP  18           HB3      ASP  18   0.052  -3.750  -6.110
  112    H    GLY  19           H        GLY  19  -0.336  -0.668  -3.872
  113    HA2  GLY  19           HA2      GLY  19  -0.197   1.686  -3.428
  114    HA3  GLY  19           HA3      GLY  19   0.324   1.925  -5.088
  115    H    SER  20           H        SER  20  -2.062  -0.193  -5.476
  116    HA   SER  20           HA       SER  20  -4.113   1.919  -5.626
  117    HB2  SER  20           HB2      SER  20  -4.325  -0.464  -7.392
  118    HB3  SER  20           HB3      SER  20  -4.767   1.215  -7.706
  119    HG   SER  20           HG       SER  20  -2.230  -0.023  -7.843
  120    H    GLY  21           H        GLY  21  -6.333   1.189  -5.384
  121    HA2  GLY  21           HA2      GLY  21  -7.999  -0.148  -4.453
  122    HA3  GLY  21           HA3      GLY  21  -6.814  -1.428  -4.252
  123    H    HIS  22           H        HIS  22  -8.157  -1.516  -2.231
  124    HA   HIS  22           HA       HIS  22  -6.624  -0.350  -0.063
  125    HB2  HIS  22           HB2      HIS  22  -9.400   0.534  -0.704
  126    HB3  HIS  22           HB3      HIS  22  -9.070   0.178   0.981
  127    HD1  HIS  22           HD1      HIS  22  -8.354   2.113   2.300
  128    HD2  HIS  22           HD2      HIS  22  -7.414   2.597  -1.723
  129    HE1  HIS  22           HE1      HIS  22  -7.498   4.466   2.080
  130    HE2  HIS  22           HE2      HIS  22  -7.028   4.772  -0.372
  131    H    ILE  23           H        ILE  23  -7.352  -1.291   2.056
  132    HA   ILE  23           HA       ILE  23  -8.099  -4.063   1.764
  133    HB   ILE  23           HB       ILE  23  -6.868  -2.473   3.805
  134   HG12  ILE  23          HG12      ILE  23  -5.864  -4.487   3.042
  135   HG13  ILE  23          HG13      ILE  23  -6.320  -4.762   4.719
  136   HG21  ILE  23          HG21      ILE  23  -7.949  -3.543   5.797
  137   HG22  ILE  23          HG22      ILE  23  -8.915  -2.303   4.997
  138   HG23  ILE  23          HG23      ILE  23  -9.281  -4.008   4.739
  139   HD11  ILE  23          HD11      ILE  23  -8.518  -5.615   3.253
  140   HD12  ILE  23          HD12      ILE  23  -7.117  -6.171   2.334
  141   HD13  ILE  23          HD13      ILE  23  -7.296  -6.626   4.030
  142    H    THR  24           H        THR  24  -9.613  -1.036   2.497
  143    HA   THR  24           HA       THR  24 -12.061  -2.105   3.502
  144    HB   THR  24           HB       THR  24 -11.280   0.223   3.964
  145    HG1  THR  24           HG1      THR  24 -13.303   0.646   4.334
  146   HG21  THR  24          HG21      THR  24 -10.446   0.867   1.805
  147   HG22  THR  24          HG22      THR  24 -11.762   1.953   2.252
  148   HG23  THR  24          HG23      THR  24 -12.040   0.665   1.081
  149    H    GLY  25           H        GLY  25 -10.706  -1.706   0.367
  150    HA2  GLY  25           HA2      GLY  25 -11.489  -2.215  -1.729
  151    HA3  GLY  25           HA3      GLY  25 -12.735  -3.152  -0.914
  152    H    ASN  26           H        ASN  26 -12.182   0.311  -0.657
  153    HA   ASN  26           HA       ASN  26 -14.797   0.779  -1.923
  154    HB2  ASN  26           HB2      ASN  26 -13.757   1.592   0.758
  155    HB3  ASN  26           HB3      ASN  26 -14.867   2.676  -0.071
  156   HD21  ASN  26          HD21      ASN  26 -14.892   0.675   2.298
  157   HD22  ASN  26          HD22      ASN  26 -16.404  -0.139   2.082
  158    H    TYR  27           H        TYR  27 -11.636   1.352  -2.299
  159    HA   TYR  27           HA       TYR  27 -12.090   4.052  -3.365
  160    HB2  TYR  27           HB2      TYR  27  -9.735   3.035  -1.780
  161    HB3  TYR  27           HB3      TYR  27  -9.668   4.487  -2.757
  162    HD1  TYR  27           HD1      TYR  27 -11.366   2.937   0.149
  163    HD2  TYR  27           HD2      TYR  27 -10.518   6.539  -1.957
  164    HE1  TYR  27           HE1      TYR  27 -12.288   4.240   2.013
  165    HE2  TYR  27           HE2      TYR  27 -11.438   7.850  -0.093
  166    HH   TYR  27           HH       TYR  27 -13.101   7.483   1.782
  167    H    ALA  28           H        ALA  28  -9.947   4.603  -4.722
  168    HA   ALA  28           HA       ALA  28  -9.765   2.446  -6.704
  169    HB1  ALA  28           HB1      ALA  28 -10.093   4.065  -8.183
  170    HB2  ALA  28           HB2      ALA  28 -10.084   5.272  -6.898
  171    HB3  ALA  28           HB3      ALA  28  -8.575   4.813  -7.686
  172    H    SER  29           H        SER  29  -7.794   4.700  -4.813
  173    HA   SER  29           HA       SER  29  -5.586   2.835  -4.867
  174    HB2  SER  29           HB2      SER  29  -4.386   5.312  -5.576
  175    HB3  SER  29           HB3      SER  29  -4.358   3.796  -6.472
  176    HG   SER  29           HG       SER  29  -5.306   5.181  -7.846
  177    H    HIS  30           H        HIS  30  -3.623   3.958  -3.734
  178    HA   HIS  30           HA       HIS  30  -4.337   5.908  -1.719
  179    HB2  HIS  30           HB2      HIS  30  -3.828   4.448   0.160
  180    HB3  HIS  30           HB3      HIS  30  -5.158   3.769  -0.760
  181    HD1  HIS  30           HD1      HIS  30  -4.706   1.511  -2.012
  182    HD2  HIS  30           HD2      HIS  30  -1.459   2.995   0.130
  183    HE1  HIS  30           HE1      HIS  30  -2.932  -0.302  -2.033
  184    H    ARG  31           H        ARG  31  -2.300   5.801  -0.040
  185    HA   ARG  31           HA       ARG  31   0.143   4.928  -1.164
  186    HB2  ARG  31           HB2      ARG  31  -0.523   7.363  -2.156
  187    HB3  ARG  31           HB3      ARG  31   0.359   7.838  -0.711
  188    HG2  ARG  31           HG2      ARG  31   1.774   7.700  -2.731
  189    HG3  ARG  31           HG3      ARG  31   2.299   6.634  -1.425
  190    HD2  ARG  31           HD2      ARG  31   2.159   4.879  -2.782
  191    HD3  ARG  31           HD3      ARG  31   0.449   5.209  -3.044
  192    HE   ARG  31           HE       ARG  31   2.604   6.377  -4.682
  193   HH11  ARG  31          HH12      ARG  31  -0.628   5.051  -4.320
  194   HH12  ARG  31          HH11      ARG  31  -0.975   5.134  -6.023
  195   HH21  ARG  31          HH22      ARG  31   2.124   6.468  -6.918
  196   HH22  ARG  31          HH21      ARG  31   0.571   5.933  -7.487
  197    H    SER  32           H        SER  32  -1.293   4.452   1.123
  198    HA   SER  32           HA       SER  32   0.676   5.080   3.143
  199    HB2  SER  32           HB2      SER  32  -1.785   5.523   4.453
  200    HB3  SER  32           HB3      SER  32  -0.519   6.707   4.135
  201    HG   SER  32           HG       SER  32  -2.918   6.806   3.209
  202    H    LEU  33           H        LEU  33   0.165   3.820   5.192
  203    HA   LEU  33           HA       LEU  33  -0.533   1.141   4.461
  204    HB2  LEU  33           HB2      LEU  33  -0.020   2.274   7.209
  205    HB3  LEU  33           HB3      LEU  33  -0.010   0.577   6.768
  206    HG   LEU  33           HG       LEU  33   1.861   2.140   5.180
  207   HD11  LEU  33          HD11      LEU  33   3.312   2.907   6.782
  208   HD12  LEU  33          HD12      LEU  33   1.756   3.274   7.526
  209   HD13  LEU  33          HD13      LEU  33   2.663   1.849   8.036
  210   HD21  LEU  33          HD21      LEU  33   1.557  -0.434   5.704
  211   HD22  LEU  33          HD22      LEU  33   3.140   0.267   5.365
  212   HD23  LEU  33          HD23      LEU  33   2.651  -0.039   7.032
  213    H    SER  34           H        SER  34  -2.316   3.787   5.323
  214    HA   SER  34           HA       SER  34  -4.451   2.445   6.719
  215    HB2  SER  34           HB2      SER  34  -5.212   4.929   5.461
  216    HB3  SER  34           HB3      SER  34  -5.061   4.560   7.180
  217    HG   SER  34           HG       SER  34  -3.633   6.247   6.454
  218    H    GLY  35           H        GLY  35  -3.329   2.519   3.587
  219    HA2  GLY  35           HA2      GLY  35  -5.994   1.811   2.541
  220    HA3  GLY  35           HA3      GLY  35  -4.821   2.716   1.598
  221    H    CYS  36           H        CYS  36  -2.678   0.961   2.866
  222    HA   CYS  36           HA       CYS  36  -2.284  -0.751   0.727
  223    HB2  CYS  36           HB2      CYS  36  -1.146  -0.632   3.506
  224    HB3  CYS  36           HB3      CYS  36  -0.657  -1.907   2.385
  225    HA   PRO  37           HA       PRO  37  -5.097  -4.035   2.047
  226    HB2  PRO  37           HB2      PRO  37  -5.331  -5.205  -0.361
  227    HB3  PRO  37           HB3      PRO  37  -6.178  -3.702   0.030
  228    HG2  PRO  37           HG2      PRO  37  -3.656  -4.111  -1.530
  229    HG3  PRO  37           HG3      PRO  37  -5.021  -3.027  -1.866
  230    HD2  PRO  37           HD2      PRO  37  -2.682  -2.209  -0.701
  231    HD3  PRO  37           HD3      PRO  37  -4.242  -1.410  -0.452
  232    H    ARG  38           H        ARG  38  -1.907  -4.113   0.786
  233    HA   ARG  38           HA       ARG  38  -1.707  -6.999   1.339
  234    HB2  ARG  38           HB2      ARG  38  -0.387  -5.243  -0.664
  235    HB3  ARG  38           HB3      ARG  38   0.570  -6.551   0.018
  236    HG2  ARG  38           HG2      ARG  38  -0.494  -8.073  -1.194
  237    HG3  ARG  38           HG3      ARG  38  -2.080  -7.388  -0.820
  238    HD2  ARG  38           HD2      ARG  38  -0.585  -5.622  -2.516
  239    HD3  ARG  38           HD3      ARG  38  -0.683  -7.222  -3.233
  240    HE   ARG  38           HE       ARG  38  -3.214  -6.874  -2.608
  241   HH11  ARG  38          HH12      ARG  38  -0.947  -4.589  -3.958
  242   HH12  ARG  38          HH11      ARG  38  -2.158  -3.654  -4.785
  243   HH21  ARG  38          HH22      ARG  38  -4.829  -5.661  -3.681
  244   HH22  ARG  38          HH21      ARG  38  -4.366  -4.296  -4.661
  245    H    ALA  39           H        ALA  39  -1.590  -4.868   3.323
  246    HA   ALA  39           HA       ALA  39   0.962  -4.193   4.164
  247    HB1  ALA  39           HB1      ALA  39  -1.104  -3.300   5.141
  248    HB2  ALA  39           HB2      ALA  39  -1.409  -4.858   5.904
  249    HB3  ALA  39           HB3      ALA  39  -0.001  -3.905   6.375
  250    H    LYS  40           H        LYS  40   2.484  -5.157   5.498
  251    HA   LYS  40           HA       LYS  40   2.609  -8.005   5.314
  252    HB2  LYS  40           HB2      LYS  40   4.607  -7.391   7.090
  253    HB3  LYS  40           HB3      LYS  40   4.779  -7.451   5.346
  254    HG2  LYS  40           HG2      LYS  40   5.761  -5.437   5.952
  255    HG3  LYS  40           HG3      LYS  40   4.162  -4.965   5.387
  256    HD2  LYS  40           HD2      LYS  40   3.411  -4.480   7.517
  257    HD3  LYS  40           HD3      LYS  40   4.587  -5.547   8.287
  258    HE2  LYS  40           HE2      LYS  40   5.393  -3.423   8.780
  259    HE3  LYS  40           HE3      LYS  40   6.346  -3.897   7.374
  260    HZ1  LYS  40           HZ1      LYS  40   5.661  -2.023   6.433
  261    HZ2  LYS  40           HZ2      LYS  40   4.542  -1.715   7.674
  262    HZ3  LYS  40           HZ3      LYS  40   4.101  -2.684   6.353
  263    H    LYS  41           H        LYS  41   2.206  -9.539   6.815
  264    HA   LYS  41           HA       LYS  41   0.744  -8.649   9.183
  265    HB2  LYS  41           HB2      LYS  41   0.727 -11.026   7.463
  266    HB3  LYS  41           HB3      LYS  41   0.602 -11.394   9.178
  267    HG2  LYS  41           HG2      LYS  41  -1.600 -11.214   8.431
  268    HG3  LYS  41           HG3      LYS  41  -1.274  -9.686   9.249
  269    HD2  LYS  41           HD2      LYS  41  -2.460  -9.279   7.164
  270    HD3  LYS  41           HD3      LYS  41  -0.820  -8.632   7.071
  271    HE2  LYS  41           HE2      LYS  41  -0.865  -9.700   5.071
  272    HE3  LYS  41           HE3      LYS  41  -0.346 -11.054   6.074
  273    HZ1  LYS  41           HZ1      LYS  41  -2.136 -11.686   4.589
  274    HZ2  LYS  41           HZ2      LYS  41  -3.145 -10.487   5.236
  275    HZ3  LYS  41           HZ3      LYS  41  -2.649 -11.789   6.199
  276    H    SER  42           H        SER  42   2.583 -11.633   8.897
  277    HA   SER  42           HA       SER  42   3.966 -10.946  11.391
  278    HB2  SER  42           HB2      SER  42   4.193 -13.689  10.304
  279    HB3  SER  42           HB3      SER  42   3.871 -13.150  11.953
  280    HG   SER  42           HG       SER  42   1.728 -12.720  11.341
  281    H    GLY  43           H        GLY  43   4.488 -12.076   8.099
  282    HA2  GLY  43           HA2      GLY  43   7.380 -12.050   8.376
  283    HA3  GLY  43           HA3      GLY  43   6.468 -12.392   6.912
  284    H    LEU  44           H        LEU  44   6.940  -9.677   9.159
  285    HA   LEU  44           HA       LEU  44   6.348  -7.654   7.331
  286    HB2  LEU  44           HB2      LEU  44   8.361  -7.216   9.498
  287    HB3  LEU  44           HB3      LEU  44   7.089  -6.148   8.938
  288    HG   LEU  44           HG       LEU  44   5.924  -8.531  10.051
  289   HD11  LEU  44          HD11      LEU  44   7.213  -7.102  12.256
  290   HD12  LEU  44          HD12      LEU  44   6.911  -8.826  12.040
  291   HD13  LEU  44          HD13      LEU  44   8.309  -8.072  11.272
  292   HD21  LEU  44          HD21      LEU  44   5.606  -5.677  10.063
  293   HD22  LEU  44          HD22      LEU  44   4.421  -6.939  10.395
  294   HD23  LEU  44          HD23      LEU  44   5.438  -6.323  11.696
  295    H    ARG  45           H        ARG  45   9.569  -8.643   8.481
  296    HA   ARG  45           HA       ARG  45  10.595  -8.352   5.782
  297    HB2  ARG  45           HB2      ARG  45  10.813  -6.148   7.279
  298    HB3  ARG  45           HB3      ARG  45  12.228  -7.008   7.870
  299    HG2  ARG  45           HG2      ARG  45  13.309  -6.109   6.152
  300    HG3  ARG  45           HG3      ARG  45  12.444  -7.276   5.147
  301    HD2  ARG  45           HD2      ARG  45  10.781  -5.695   4.582
  302    HD3  ARG  45           HD3      ARG  45  11.304  -4.583   5.845
  303    HE   ARG  45           HE       ARG  45  13.373  -4.280   4.508
  304   HH11  ARG  45          HH12      ARG  45  10.469  -5.462   2.931
  305   HH12  ARG  45          HH11      ARG  45  10.932  -4.866   1.361
  306   HH21  ARG  45          HH22      ARG  45  13.955  -3.458   2.454
  307   HH22  ARG  45          HH21      ARG  45  12.890  -3.701   1.096
  308    H    VAL  46           H        VAL  46  10.500 -10.685   6.339
  309    HA   VAL  46           HA       VAL  46  12.853 -11.513   7.909
  310    HB   VAL  46           HB       VAL  46  10.615 -13.375   7.146
  311   HG11  VAL  46          HG11      VAL  46  12.295 -13.531   9.613
  312   HG12  VAL  46          HG12      VAL  46  11.510 -14.824   8.707
  313   HG13  VAL  46          HG13      VAL  46  12.957 -14.050   8.064
  314   HG21  VAL  46          HG21      VAL  46   9.398 -12.908   9.089
  315   HG22  VAL  46          HG22      VAL  46  10.714 -11.978   9.802
  316   HG23  VAL  46          HG23      VAL  46   9.803 -11.319   8.443
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  21.527   2.441 -17.178
    2    H2   GLY   1           H2       GLY   1  22.266   1.105 -16.439
    3    H3   GLY   1           H3       GLY   1  23.138   2.542 -16.658
    4    HA2  GLY   1           HA3      GLY   1  22.609   2.757 -14.474
    5    HA3  GLY   1           HA2      GLY   1  21.253   3.579 -15.232
    6    H    SER   2           H        SER   2  21.934   1.601 -12.804
    7    HA   SER   2           HA       SER   2  19.696  -0.242 -13.181
    8    HB2  SER   2           HB2      SER   2  21.003  -0.350 -10.583
    9    HB3  SER   2           HB3      SER   2  20.829  -1.615 -11.798
   10    HG   SER   2           HG       SER   2  22.974  -0.031 -11.226
   11    H    MET   3           H        MET   3  17.737   0.469 -12.647
   12    HA   MET   3           HA       MET   3  17.411   2.677 -10.792
   13    HB2  MET   3           HB2      MET   3  16.100   2.148 -13.028
   14    HB3  MET   3           HB3      MET   3  15.100   1.180 -11.952
   15    HG2  MET   3           HG2      MET   3  15.638   3.874 -10.968
   16    HG3  MET   3           HG3      MET   3  14.749   3.823 -12.489
   17    HE1  MET   3           HE1      MET   3  11.955   4.529 -11.480
   18    HE2  MET   3           HE2      MET   3  12.202   4.648  -9.739
   19    HE3  MET   3           HE3      MET   3  13.427   5.262 -10.847
   20    H    ALA   4           H        ALA   4  15.971   2.586  -8.974
   21    HA   ALA   4           HA       ALA   4  16.481   0.391  -7.286
   22    HB1  ALA   4           HB1      ALA   4  16.008   2.005  -5.829
   23    HB2  ALA   4           HB2      ALA   4  15.256   2.986  -7.086
   24    HB3  ALA   4           HB3      ALA   4  14.301   1.788  -6.212
   25    H    ALA   5           H        ALA   5  13.627   1.372  -9.102
   26    HA   ALA   5           HA       ALA   5  11.704   0.333  -9.686
   27    HB1  ALA   5           HB1      ALA   5  13.813  -1.702  -9.858
   28    HB2  ALA   5           HB2      ALA   5  12.164  -2.326  -9.837
   29    HB3  ALA   5           HB3      ALA   5  12.651  -1.158 -11.068
   30    H    HIS   6           H        HIS   6  12.684  -2.509  -7.873
   31    HA   HIS   6           HA       HIS   6  10.227  -2.608  -6.443
   32    HB2  HIS   6           HB2      HIS   6  11.995  -4.488  -7.076
   33    HB3  HIS   6           HB3      HIS   6  12.634  -4.095  -5.485
   34    HD1  HIS   6           HD1      HIS   6  11.427  -5.017  -3.484
   35    HD2  HIS   6           HD2      HIS   6   9.324  -5.565  -7.034
   36    HE1  HIS   6           HE1      HIS   6   9.503  -6.537  -2.909
   37    HE2  HIS   6           HE2      HIS   6   8.257  -6.890  -5.074
   38    H    SER   7           H        SER   7  13.463  -1.476  -5.713
   39    HA   SER   7           HA       SER   7  12.718  -0.816  -2.972
   40    HB2  SER   7           HB2      SER   7  15.363  -0.002  -4.028
   41    HB3  SER   7           HB3      SER   7  14.947  -0.787  -2.504
   42    HG   SER   7           HG       SER   7  15.396  -2.626  -3.376
   43    H    ALA   8           H        ALA   8  11.441   0.572  -5.183
   44    HA   ALA   8           HA       ALA   8  12.543   3.278  -4.881
   45    HB1  ALA   8           HB1      ALA   8  12.247   3.341  -7.086
   46    HB2  ALA   8           HB2      ALA   8  11.286   1.862  -7.074
   47    HB3  ALA   8           HB3      ALA   8  10.513   3.417  -6.759
   48    H    ASP   9           H        ASP   9  11.216   4.991  -4.280
   49    HA   ASP   9           HA       ASP   9   8.923   4.184  -2.635
   50    HB2  ASP   9           HB2      ASP   9  10.886   5.551  -1.715
   51    HB3  ASP   9           HB3      ASP   9  10.263   6.891  -2.670
   52    H    LEU  10           H        LEU  10   8.369   4.125  -5.292
   53    HA   LEU  10           HA       LEU  10   6.889   6.594  -5.862
   54    HB2  LEU  10           HB2      LEU  10   6.643   4.353  -7.747
   55    HB3  LEU  10           HB3      LEU  10   6.950   6.050  -8.058
   56    HG   LEU  10           HG       LEU  10   9.152   4.383  -6.925
   57   HD11  LEU  10          HD11      LEU  10   8.463   4.454  -9.855
   58   HD12  LEU  10          HD12      LEU  10   9.821   3.622  -9.099
   59   HD13  LEU  10          HD13      LEU  10   8.172   3.076  -8.793
   60   HD21  LEU  10          HD21      LEU  10   8.804   6.981  -8.145
   61   HD22  LEU  10          HD22      LEU  10  10.160   6.343  -7.215
   62   HD23  LEU  10          HD23      LEU  10  10.061   6.042  -8.951
   63    H    LYS  11           H        LYS  11   6.531   3.982  -4.067
   64    HA   LYS  11           HA       LYS  11   3.640   3.824  -4.512
   65    HB2  LYS  11           HB2      LYS  11   3.712   1.452  -3.918
   66    HB3  LYS  11           HB3      LYS  11   4.765   1.767  -5.286
   67    HG2  LYS  11           HG2      LYS  11   6.606   1.138  -4.179
   68    HG3  LYS  11           HG3      LYS  11   6.105   1.937  -2.686
   69    HD2  LYS  11           HD2      LYS  11   5.283   0.046  -1.836
   70    HD3  LYS  11           HD3      LYS  11   4.451  -0.365  -3.336
   71    HE2  LYS  11           HE2      LYS  11   6.201  -2.001  -2.597
   72    HE3  LYS  11           HE3      LYS  11   6.400  -1.381  -4.235
   73    HZ1  LYS  11           HZ1      LYS  11   7.840  -0.319  -1.865
   74    HZ2  LYS  11           HZ2      LYS  11   8.106   0.092  -3.485
   75    HZ3  LYS  11           HZ3      LYS  11   8.487  -1.462  -2.935
   76    H    CYS  12           H        CYS  12   3.183   2.197  -2.253
   77    HA   CYS  12           HA       CYS  12   3.345   4.201  -0.179
   78    HB2  CYS  12           HB2      CYS  12   1.908   2.178   0.878
   79    HB3  CYS  12           HB3      CYS  12   1.215   3.361  -0.229
   80    HA   PRO  13           HA       PRO  13   6.322   2.362   2.501
   81    HB2  PRO  13           HB2      PRO  13   4.294   1.588   4.526
   82    HB3  PRO  13           HB3      PRO  13   5.720   2.609   4.696
   83    HG2  PRO  13           HG2      PRO  13   3.307   3.695   4.634
   84    HG3  PRO  13           HG3      PRO  13   4.666   4.468   3.794
   85    HD2  PRO  13           HD2      PRO  13   2.433   2.827   2.669
   86    HD3  PRO  13           HD3      PRO  13   3.182   4.304   2.030
   87    H    THR  14           H        THR  14   3.498   0.333   2.024
   88    HA   THR  14           HA       THR  14   4.648  -2.057   3.043
   89    HB   THR  14           HB       THR  14   2.336  -1.728   1.126
   90    HG1  THR  14           HG1      THR  14   1.254  -1.142   2.841
   91   HG21  THR  14          HG21      THR  14   2.712  -3.975   0.946
   92   HG22  THR  14          HG22      THR  14   1.766  -3.980   2.434
   93   HG23  THR  14          HG23      THR  14   3.524  -4.075   2.508
   94    HA   PRO  15           HA       PRO  15   7.421  -2.781  -0.369
   95    HB2  PRO  15           HB2      PRO  15   7.730  -5.417   0.955
   96    HB3  PRO  15           HB3      PRO  15   8.955  -4.211   0.550
   97    HG2  PRO  15           HG2      PRO  15   8.207  -4.565   3.068
   98    HG3  PRO  15           HG3      PRO  15   8.523  -2.937   2.436
   99    HD2  PRO  15           HD2      PRO  15   5.895  -4.309   2.898
  100    HD3  PRO  15           HD3      PRO  15   6.372  -2.636   3.265
  101    H    GLY  16           H        GLY  16   5.036  -5.185   0.663
  102    HA2  GLY  16           HA2      GLY  16   5.166  -6.538  -1.893
  103    HA3  GLY  16           HA3      GLY  16   4.193  -7.017  -0.514
  104    H    CYS  17           H        CYS  17   3.818  -3.754  -1.114
  105    HA   CYS  17           HA       CYS  17   1.231  -4.249  -2.395
  106    HB2  CYS  17           HB2      CYS  17   1.598  -2.997  -0.160
  107    HB3  CYS  17           HB3      CYS  17   2.133  -1.664  -1.169
  108    H    ASP  18           H        ASP  18   0.607  -1.969  -3.578
  109    HA   ASP  18           HA       ASP  18   2.778  -1.279  -5.424
  110    HB2  ASP  18           HB2      ASP  18   1.680  -1.965  -7.322
  111    HB3  ASP  18           HB3      ASP  18   1.092  -3.165  -6.177
  112    H    GLY  19           H        GLY  19  -0.109  -0.414  -3.753
  113    HA2  GLY  19           HA2      GLY  19  -0.395   1.908  -3.151
  114    HA3  GLY  19           HA3      GLY  19   0.208   2.343  -4.742
  115    H    SER  20           H        SER  20  -1.727  -0.158  -5.433
  116    HA   SER  20           HA       SER  20  -4.041   1.617  -5.840
  117    HB2  SER  20           HB2      SER  20  -3.686  -0.988  -7.284
  118    HB3  SER  20           HB3      SER  20  -4.516   0.477  -7.814
  119    HG   SER  20           HG       SER  20  -1.782  -0.169  -7.857
  120    H    GLY  21           H        GLY  21  -6.125   0.880  -5.395
  121    HA2  GLY  21           HA2      GLY  21  -7.740  -0.593  -4.591
  122    HA3  GLY  21           HA3      GLY  21  -6.471  -1.738  -4.192
  123    H    HIS  22           H        HIS  22  -8.049  -1.818  -2.318
  124    HA   HIS  22           HA       HIS  22  -6.810  -0.568  -0.056
  125    HB2  HIS  22           HB2      HIS  22  -9.432   0.428  -1.019
  126    HB3  HIS  22           HB3      HIS  22  -9.355   0.044   0.692
  127    HD1  HIS  22           HD1      HIS  22  -8.335   1.729   2.202
  128    HD2  HIS  22           HD2      HIS  22  -7.604   2.565  -1.809
  129    HE1  HIS  22           HE1      HIS  22  -7.413   4.055   2.156
  130    HE2  HIS  22           HE2      HIS  22  -7.092   4.599  -0.280
  131    H    ILE  23           H        ILE  23  -7.508  -1.556   1.938
  132    HA   ILE  23           HA       ILE  23  -8.351  -4.275   1.621
  133    HB   ILE  23           HB       ILE  23  -7.157  -2.698   3.706
  134   HG12  ILE  23          HG12      ILE  23  -6.038  -4.628   3.027
  135   HG13  ILE  23          HG13      ILE  23  -6.716  -5.092   4.582
  136   HG21  ILE  23          HG21      ILE  23  -8.232  -3.477   5.672
  137   HG22  ILE  23          HG22      ILE  23  -9.488  -2.770   4.655
  138   HG23  ILE  23          HG23      ILE  23  -9.311  -4.523   4.750
  139   HD11  ILE  23          HD11      ILE  23  -7.587  -5.914   1.840
  140   HD12  ILE  23          HD12      ILE  23  -7.116  -6.921   3.208
  141   HD13  ILE  23          HD13      ILE  23  -8.657  -6.068   3.234
  142    H    THR  24           H        THR  24  -9.866  -1.254   2.467
  143    HA   THR  24           HA       THR  24 -12.302  -2.349   3.445
  144    HB   THR  24           HB       THR  24 -11.530  -0.046   3.967
  145    HG1  THR  24           HG1      THR  24 -13.727  -0.426   4.257
  146   HG21  THR  24          HG21      THR  24 -12.245   1.650   2.099
  147   HG22  THR  24          HG22      THR  24 -11.917   0.282   1.032
  148   HG23  THR  24          HG23      THR  24 -10.644   0.908   2.081
  149    H    GLY  25           H        GLY  25 -11.041  -1.759   0.269
  150    HA2  GLY  25           HA2      GLY  25 -11.881  -2.236  -1.811
  151    HA3  GLY  25           HA3      GLY  25 -13.158  -3.135  -1.002
  152    H    ASN  26           H        ASN  26 -12.434   0.291  -0.629
  153    HA   ASN  26           HA       ASN  26 -15.030   0.913  -1.864
  154    HB2  ASN  26           HB2      ASN  26 -13.936   1.640   0.816
  155    HB3  ASN  26           HB3      ASN  26 -14.983   2.794   0.003
  156   HD21  ASN  26          HD21      ASN  26 -15.079   0.691   2.320
  157   HD22  ASN  26          HD22      ASN  26 -16.663   0.027   2.117
  158    H    TYR  27           H        TYR  27 -11.753   1.483  -2.003
  159    HA   TYR  27           HA       TYR  27 -12.170   4.145  -3.190
  160    HB2  TYR  27           HB2      TYR  27  -9.706   3.121  -1.763
  161    HB3  TYR  27           HB3      TYR  27  -9.870   4.690  -2.517
  162    HD1  TYR  27           HD2      TYR  27 -11.357   2.578   0.151
  163    HD2  TYR  27           HD1      TYR  27 -10.593   6.520  -1.237
  164    HE1  TYR  27           HE2      TYR  27 -12.197   3.476   2.275
  165    HE2  TYR  27           HE1      TYR  27 -11.422   7.438   0.893
  166    HH   TYR  27           HH       TYR  27 -13.072   6.617   2.746
  167    H    ALA  28           H        ALA  28  -9.962   4.579  -4.568
  168    HA   ALA  28           HA       ALA  28  -9.875   2.324  -6.450
  169    HB1  ALA  28           HB1      ALA  28 -10.544   4.810  -7.037
  170    HB2  ALA  28           HB2      ALA  28  -8.795   4.994  -7.177
  171    HB3  ALA  28           HB3      ALA  28  -9.640   3.805  -8.169
  172    H    SER  29           H        SER  29  -7.771   4.699  -4.841
  173    HA   SER  29           HA       SER  29  -5.630   2.750  -4.786
  174    HB2  SER  29           HB2      SER  29  -4.298   5.033  -5.728
  175    HB3  SER  29           HB3      SER  29  -4.533   3.512  -6.585
  176    HG   SER  29           HG       SER  29  -6.180   5.833  -6.665
  177    H    HIS  30           H        HIS  30  -3.645   3.734  -3.706
  178    HA   HIS  30           HA       HIS  30  -4.242   5.897  -1.851
  179    HB2  HIS  30           HB2      HIS  30  -3.605   4.547   0.102
  180    HB3  HIS  30           HB3      HIS  30  -5.030   3.878  -0.676
  181    HD1  HIS  30           HD1      HIS  30  -4.693   1.559  -1.967
  182    HD2  HIS  30           HD2      HIS  30  -1.392   2.938   0.165
  183    HE1  HIS  30           HE1      HIS  30  -3.010  -0.343  -1.917
  184    H    ARG  31           H        ARG  31  -2.026   5.719  -0.225
  185    HA   ARG  31           HA       ARG  31   0.327   5.057  -1.727
  186    HB2  ARG  31           HB2      ARG  31  -0.706   7.653  -2.069
  187    HB3  ARG  31           HB3      ARG  31   0.690   7.818  -1.010
  188    HG2  ARG  31           HG2      ARG  31   1.221   6.043  -3.229
  189    HG3  ARG  31           HG3      ARG  31   0.711   7.642  -3.769
  190    HD2  ARG  31           HD2      ARG  31   2.435   8.478  -1.997
  191    HD3  ARG  31           HD3      ARG  31   3.102   6.854  -2.158
  192    HE   ARG  31           HE       ARG  31   2.679   8.366  -4.614
  193   HH11  ARG  31          HH12      ARG  31   4.928   7.201  -2.198
  194   HH12  ARG  31          HH11      ARG  31   6.332   7.495  -3.173
  195   HH21  ARG  31          HH22      ARG  31   4.514   8.759  -5.903
  196   HH22  ARG  31          HH21      ARG  31   6.103   8.407  -5.284
  197    H    SER  32           H        SER  32  -1.217   5.088   1.013
  198    HA   SER  32           HA       SER  32   1.249   5.154   2.581
  199    HB2  SER  32           HB2      SER  32  -1.071   5.976   4.152
  200    HB3  SER  32           HB3      SER  32   0.527   6.706   4.045
  201    HG   SER  32           HG       SER  32  -1.337   7.006   1.954
  202    H    LEU  33           H        LEU  33   0.856   4.029   4.771
  203    HA   LEU  33           HA       LEU  33  -0.141   1.430   4.202
  204    HB2  LEU  33           HB2      LEU  33   1.491   2.730   6.190
  205    HB3  LEU  33           HB3      LEU  33   0.351   1.638   6.953
  206    HG   LEU  33           HG       LEU  33   2.015   0.717   4.651
  207   HD11  LEU  33          HD11      LEU  33   2.862   0.664   7.538
  208   HD12  LEU  33          HD12      LEU  33   3.737  -0.019   6.168
  209   HD13  LEU  33          HD13      LEU  33   3.536   1.726   6.302
  210   HD21  LEU  33          HD21      LEU  33   0.883  -1.149   5.059
  211   HD22  LEU  33          HD22      LEU  33   1.677  -1.239   6.633
  212   HD23  LEU  33          HD23      LEU  33   0.122  -0.424   6.476
  213    H    SER  34           H        SER  34  -1.964   3.960   4.745
  214    HA   SER  34           HA       SER  34  -3.661   2.929   6.841
  215    HB2  SER  34           HB2      SER  34  -4.856   5.056   5.303
  216    HB3  SER  34           HB3      SER  34  -4.309   5.073   6.980
  217    HG   SER  34           HG       SER  34  -2.887   6.437   6.203
  218    H    GLY  35           H        GLY  35  -3.308   2.478   3.488
  219    HA2  GLY  35           HA2      GLY  35  -5.979   1.249   3.387
  220    HA3  GLY  35           HA3      GLY  35  -5.490   2.375   2.134
  221    H    CYS  36           H        CYS  36  -2.952   0.440   3.325
  222    HA   CYS  36           HA       CYS  36  -2.553  -0.845   0.827
  223    HB2  CYS  36           HB2      CYS  36  -1.324  -1.147   3.560
  224    HB3  CYS  36           HB3      CYS  36  -0.885  -2.232   2.242
  225    HA   PRO  37           HA       PRO  37  -5.440  -4.203   1.764
  226    HB2  PRO  37           HB2      PRO  37  -5.545  -5.198  -0.740
  227    HB3  PRO  37           HB3      PRO  37  -6.418  -3.734  -0.273
  228    HG2  PRO  37           HG2      PRO  37  -3.842  -4.014  -1.757
  229    HG3  PRO  37           HG3      PRO  37  -5.183  -2.888  -2.037
  230    HD2  PRO  37           HD2      PRO  37  -2.867  -2.219  -0.724
  231    HD3  PRO  37           HD3      PRO  37  -4.421  -1.407  -0.472
  232    H    ARG  38           H        ARG  38  -2.210  -4.199   0.775
  233    HA   ARG  38           HA       ARG  38  -1.990  -7.097   1.257
  234    HB2  ARG  38           HB2      ARG  38  -0.305  -5.303  -0.495
  235    HB3  ARG  38           HB3      ARG  38   0.165  -6.938  -0.049
  236    HG2  ARG  38           HG2      ARG  38  -1.130  -7.822  -1.620
  237    HG3  ARG  38           HG3      ARG  38  -2.520  -6.858  -1.113
  238    HD2  ARG  38           HD2      ARG  38  -0.772  -5.061  -2.343
  239    HD3  ARG  38           HD3      ARG  38  -0.756  -6.499  -3.360
  240    HE   ARG  38           HE       ARG  38  -3.387  -6.134  -2.992
  241   HH11  ARG  38          HH12      ARG  38  -0.849  -3.888  -3.789
  242   HH12  ARG  38          HH11      ARG  38  -1.846  -2.872  -4.790
  243   HH21  ARG  38          HH22      ARG  38  -4.753  -4.803  -4.292
  244   HH22  ARG  38          HH21      ARG  38  -4.089  -3.383  -5.045
  245    H    ALA  39           H        ALA  39  -1.930  -4.623   3.019
  246    HA   ALA  39           HA       ALA  39   0.657  -4.210   4.025
  247    HB1  ALA  39           HB1      ALA  39  -0.412  -3.283   5.980
  248    HB2  ALA  39           HB2      ALA  39  -1.291  -2.774   4.537
  249    HB3  ALA  39           HB3      ALA  39  -1.938  -4.060   5.554
  250    H    LYS  40           H        LYS  40   1.940  -5.733   4.726
  251    HA   LYS  40           HA       LYS  40   2.758  -7.641   5.628
  252    HB2  LYS  40           HB2      LYS  40   1.001  -6.472   7.637
  253    HB3  LYS  40           HB3      LYS  40   1.191  -8.211   7.836
  254    HG2  LYS  40           HG2      LYS  40   2.979  -7.559   9.051
  255    HG3  LYS  40           HG3      LYS  40   3.753  -7.547   7.463
  256    HD2  LYS  40           HD2      LYS  40   4.333  -5.447   8.035
  257    HD3  LYS  40           HD3      LYS  40   2.691  -5.060   7.521
  258    HE2  LYS  40           HE2      LYS  40   3.149  -5.924  10.331
  259    HE3  LYS  40           HE3      LYS  40   3.610  -4.288   9.862
  260    HZ1  LYS  40           HZ1      LYS  40   1.033  -4.864   8.867
  261    HZ2  LYS  40           HZ2      LYS  40   1.503  -3.671   9.975
  262    HZ3  LYS  40           HZ3      LYS  40   1.078  -5.220  10.524
  263    H    LYS  41           H        LYS  41   0.804  -7.963   3.591
  264    HA   LYS  41           HA       LYS  41  -1.182  -9.839   4.120
  265    HB2  LYS  41           HB2      LYS  41  -0.381  -8.499   1.909
  266    HB3  LYS  41           HB3      LYS  41   0.231 -10.104   1.531
  267    HG2  LYS  41           HG2      LYS  41  -2.548  -9.979   2.506
  268    HG3  LYS  41           HG3      LYS  41  -2.241  -9.258   0.923
  269    HD2  LYS  41           HD2      LYS  41  -1.179 -11.982   1.568
  270    HD3  LYS  41           HD3      LYS  41  -2.864 -11.777   1.087
  271    HE2  LYS  41           HE2      LYS  41  -2.324 -11.410  -1.055
  272    HE3  LYS  41           HE3      LYS  41  -0.982 -10.350  -0.625
  273    HZ1  LYS  41           HZ1      LYS  41   0.358 -12.326  -0.160
  274    HZ2  LYS  41           HZ2      LYS  41  -0.189 -12.315  -1.766
  275    HZ3  LYS  41           HZ3      LYS  41  -0.936 -13.324  -0.626
  276    H    SER  42           H        SER  42  -0.766 -11.611   5.278
  277    HA   SER  42           HA       SER  42   0.070 -13.614   5.928
  278    HB2  SER  42           HB2      SER  42   1.328 -14.016   3.233
  279    HB3  SER  42           HB3      SER  42   0.543 -15.196   4.283
  280    HG   SER  42           HG       SER  42  -1.265 -13.355   3.670
  281    H    GLY  43           H        GLY  43   1.652 -11.199   6.223
  282    HA2  GLY  43           HA2      GLY  43   3.721 -10.775   7.204
  283    HA3  GLY  43           HA3      GLY  43   4.204 -12.425   6.839
  284    H    LEU  44           H        LEU  44   4.901  -9.303   6.167
  285    HA   LEU  44           HA       LEU  44   5.184  -9.280   3.367
  286    HB2  LEU  44           HB2      LEU  44   6.557  -7.706   5.537
  287    HB3  LEU  44           HB3      LEU  44   6.746  -7.367   3.825
  288    HG   LEU  44           HG       LEU  44   4.076  -7.353   5.208
  289   HD11  LEU  44          HD11      LEU  44   4.951  -5.614   6.332
  290   HD12  LEU  44          HD12      LEU  44   6.221  -5.332   5.141
  291   HD13  LEU  44          HD13      LEU  44   4.581  -4.759   4.831
  292   HD21  LEU  44          HD21      LEU  44   3.879  -7.588   2.854
  293   HD22  LEU  44          HD22      LEU  44   3.504  -5.912   3.252
  294   HD23  LEU  44          HD23      LEU  44   5.074  -6.324   2.563
  295    H    ARG  45           H        ARG  45   7.191 -10.531   5.912
  296    HA   ARG  45           HA       ARG  45   9.481 -10.802   4.129
  297    HB2  ARG  45           HB2      ARG  45   9.521 -10.074   6.625
  298    HB3  ARG  45           HB3      ARG  45   9.378 -11.794   6.957
  299    HG2  ARG  45           HG2      ARG  45  11.420 -12.081   5.452
  300    HG3  ARG  45           HG3      ARG  45  11.618 -10.334   5.604
  301    HD2  ARG  45           HD2      ARG  45  12.877 -11.865   7.250
  302    HD3  ARG  45           HD3      ARG  45  12.036 -10.454   7.886
  303    HE   ARG  45           HE       ARG  45  10.985 -13.214   8.017
  304   HH11  ARG  45          HH12      ARG  45  11.335  -9.986   9.345
  305   HH12  ARG  45          HH11      ARG  45  10.415 -10.339  10.781
  306   HH21  ARG  45          HH22      ARG  45   9.783 -13.678   9.887
  307   HH22  ARG  45          HH21      ARG  45   9.509 -12.447  11.082
  308    H    VAL  46           H        VAL  46   6.799 -12.454   4.251
  309    HA   VAL  46           HA       VAL  46   8.147 -15.068   4.078
  310    HB   VAL  46           HB       VAL  46   5.188 -14.954   4.418
  311   HG11  VAL  46          HG11      VAL  46   6.405 -17.064   4.007
  312   HG12  VAL  46          HG12      VAL  46   7.287 -16.823   5.516
  313   HG13  VAL  46          HG13      VAL  46   5.540 -17.063   5.544
  314   HG21  VAL  46          HG21      VAL  46   5.659 -13.519   6.199
  315   HG22  VAL  46          HG22      VAL  46   5.639 -15.115   6.949
  316   HG23  VAL  46          HG23      VAL  46   7.176 -14.336   6.577
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  12.546   8.057  -2.011
    2    H2   GLY   1           H2       GLY   1  12.468   9.322  -3.133
    3    H3   GLY   1           H3       GLY   1  12.599   9.668  -1.475
    4    HA2  GLY   1           HA3      GLY   1  14.798   9.311  -1.405
    5    HA3  GLY   1           HA2      GLY   1  14.703   8.008  -2.580
    6    H    SER   2           H        SER   2  16.721   9.857  -2.722
    7    HA   SER   2           HA       SER   2  15.976  11.884  -4.657
    8    HB2  SER   2           HB2      SER   2  18.787  11.216  -3.800
    9    HB3  SER   2           HB3      SER   2  18.144  12.764  -4.345
   10    HG   SER   2           HG       SER   2  16.891  12.829  -2.414
   11    H    MET   3           H        MET   3  15.221  10.223  -6.210
   12    HA   MET   3           HA       MET   3  17.341   8.754  -7.582
   13    HB2  MET   3           HB2      MET   3  14.337   8.777  -7.872
   14    HB3  MET   3           HB3      MET   3  15.391   7.907  -8.979
   15    HG2  MET   3           HG2      MET   3  15.873   6.288  -7.468
   16    HG3  MET   3           HG3      MET   3  15.738   7.378  -6.088
   17    HE1  MET   3           HE1      MET   3  12.307   5.156  -8.188
   18    HE2  MET   3           HE2      MET   3  13.317   6.313  -9.054
   19    HE3  MET   3           HE3      MET   3  14.031   4.842  -8.395
   20    H    ALA   4           H        ALA   4  14.554  10.596  -8.797
   21    HA   ALA   4           HA       ALA   4  16.298  11.742 -10.864
   22    HB1  ALA   4           HB1      ALA   4  13.293  11.613 -10.662
   23    HB2  ALA   4           HB2      ALA   4  14.175  12.431 -11.952
   24    HB3  ALA   4           HB3      ALA   4  14.328  10.686 -11.749
   25    H    ALA   5           H        ALA   5  13.434  12.943  -9.147
   26    HA   ALA   5           HA       ALA   5  15.017  15.173  -8.111
   27    HB1  ALA   5           HB1      ALA   5  13.782  15.864 -10.215
   28    HB2  ALA   5           HB2      ALA   5  12.292  15.643  -9.297
   29    HB3  ALA   5           HB3      ALA   5  13.480  16.839  -8.777
   30    H    HIS   6           H        HIS   6  11.568  15.298  -7.883
   31    HA   HIS   6           HA       HIS   6  11.717  14.593  -5.054
   32    HB2  HIS   6           HB2      HIS   6  10.397  16.603  -5.969
   33    HB3  HIS   6           HB3      HIS   6   9.221  15.420  -6.531
   34    HD1  HIS   6           HD1      HIS   6  10.855  14.725  -3.265
   35    HD2  HIS   6           HD2      HIS   6   7.379  16.541  -4.663
   36    HE1  HIS   6           HE1      HIS   6   9.347  14.950  -1.266
   37    HE2  HIS   6           HE2      HIS   6   7.284  16.112  -2.114
   38    H    SER   7           H        SER   7  12.349  12.401  -6.041
   39    HA   SER   7           HA       SER   7  10.149  10.783  -6.979
   40    HB2  SER   7           HB2      SER   7  12.755   9.597  -6.122
   41    HB3  SER   7           HB3      SER   7  11.744   9.202  -7.515
   42    HG   SER   7           HG       SER   7  12.374  11.334  -8.341
   43    H    ALA   8           H        ALA   8   8.876  11.257  -5.000
   44    HA   ALA   8           HA       ALA   8   9.295   9.156  -3.034
   45    HB1  ALA   8           HB1      ALA   8   9.767  11.985  -2.498
   46    HB2  ALA   8           HB2      ALA   8   8.618  11.242  -1.385
   47    HB3  ALA   8           HB3      ALA   8  10.233  10.559  -1.568
   48    H    ASP   9           H        ASP   9   7.447   8.759  -1.728
   49    HA   ASP   9           HA       ASP   9   5.257   8.317  -1.441
   50    HB2  ASP   9           HB2      ASP   9   5.545  10.818  -0.808
   51    HB3  ASP   9           HB3      ASP   9   4.631  11.119  -2.277
   52    H    LEU  10           H        LEU  10   6.223   7.641  -3.948
   53    HA   LEU  10           HA       LEU  10   3.862   8.057  -5.662
   54    HB2  LEU  10           HB2      LEU  10   6.541   6.837  -6.345
   55    HB3  LEU  10           HB3      LEU  10   5.203   7.050  -7.462
   56    HG   LEU  10           HG       LEU  10   6.059   9.511  -6.112
   57   HD11  LEU  10          HD11      LEU  10   7.911   9.349  -8.152
   58   HD12  LEU  10          HD12      LEU  10   8.239   9.277  -6.421
   59   HD13  LEU  10          HD13      LEU  10   8.027   7.788  -7.342
   60   HD21  LEU  10          HD21      LEU  10   6.052   9.302  -9.038
   61   HD22  LEU  10          HD22      LEU  10   4.525   8.885  -8.259
   62   HD23  LEU  10          HD23      LEU  10   5.254  10.465  -7.977
   63    H    LYS  11           H        LYS  11   5.714   5.845  -3.806
   64    HA   LYS  11           HA       LYS  11   3.688   3.799  -4.187
   65    HB2  LYS  11           HB2      LYS  11   6.559   3.644  -4.363
   66    HB3  LYS  11           HB3      LYS  11   5.981   2.642  -3.035
   67    HG2  LYS  11           HG2      LYS  11   4.986   2.527  -5.864
   68    HG3  LYS  11           HG3      LYS  11   6.145   1.418  -5.134
   69    HD2  LYS  11           HD2      LYS  11   3.512   1.853  -3.810
   70    HD3  LYS  11           HD3      LYS  11   3.585   0.823  -5.242
   71    HE2  LYS  11           HE2      LYS  11   4.162  -0.845  -3.888
   72    HE3  LYS  11           HE3      LYS  11   5.708  -0.027  -3.668
   73    HZ1  LYS  11           HZ1      LYS  11   3.333   0.575  -1.987
   74    HZ2  LYS  11           HZ2      LYS  11   4.952   0.982  -1.699
   75    HZ3  LYS  11           HZ3      LYS  11   4.457  -0.629  -1.584
   76    H    CYS  12           H        CYS  12   3.071   2.729  -2.337
   77    HA   CYS  12           HA       CYS  12   3.013   4.318   0.031
   78    HB2  CYS  12           HB2      CYS  12   1.723   2.171   0.810
   79    HB3  CYS  12           HB3      CYS  12   0.999   3.255  -0.373
   80    HA   PRO  13           HA       PRO  13   6.076   2.569   2.646
   81    HB2  PRO  13           HB2      PRO  13   4.037   1.356   4.442
   82    HB3  PRO  13           HB3      PRO  13   5.344   2.483   4.820
   83    HG2  PRO  13           HG2      PRO  13   2.824   3.317   4.711
   84    HG3  PRO  13           HG3      PRO  13   4.145   4.322   4.087
   85    HD2  PRO  13           HD2      PRO  13   2.150   2.677   2.598
   86    HD3  PRO  13           HD3      PRO  13   2.839   4.261   2.191
   87    H    THR  14           H        THR  14   3.436   0.231   2.175
   88    HA   THR  14           HA       THR  14   4.936  -2.036   2.906
   89    HB   THR  14           HB       THR  14   2.534  -2.054   1.087
   90    HG1  THR  14           HG1      THR  14   1.409  -1.314   2.709
   91   HG21  THR  14          HG21      THR  14   2.202  -4.142   2.708
   92   HG22  THR  14          HG22      THR  14   3.962  -4.045   2.760
   93   HG23  THR  14          HG23      THR  14   3.134  -4.250   1.215
   94    HA   PRO  15           HA       PRO  15   7.431  -2.290  -0.806
   95    HB2  PRO  15           HB2      PRO  15   8.351  -4.784   0.494
   96    HB3  PRO  15           HB3      PRO  15   9.283  -3.386  -0.042
   97    HG2  PRO  15           HG2      PRO  15   8.887  -3.828   2.542
   98    HG3  PRO  15           HG3      PRO  15   8.843  -2.181   1.884
   99    HD2  PRO  15           HD2      PRO  15   6.554  -3.988   2.603
  100    HD3  PRO  15           HD3      PRO  15   6.771  -2.258   2.950
  101    H    GLY  16           H        GLY  16   5.503  -4.912   0.547
  102    HA2  GLY  16           HA2      GLY  16   5.618  -6.452  -1.898
  103    HA3  GLY  16           HA3      GLY  16   4.752  -6.883  -0.435
  104    H    CYS  17           H        CYS  17   4.052  -3.751  -1.189
  105    HA   CYS  17           HA       CYS  17   1.491  -4.523  -2.385
  106    HB2  CYS  17           HB2      CYS  17   1.580  -3.271  -0.210
  107    HB3  CYS  17           HB3      CYS  17   2.282  -1.916  -1.081
  108    H    ASP  18           H        ASP  18   0.598  -2.523  -3.748
  109    HA   ASP  18           HA       ASP  18   2.732  -1.682  -5.592
  110    HB2  ASP  18           HB2      ASP  18   1.647  -2.452  -7.462
  111    HB3  ASP  18           HB3      ASP  18   1.121  -3.657  -6.294
  112    H    GLY  19           H        GLY  19  -0.015  -0.827  -3.774
  113    HA2  GLY  19           HA2      GLY  19  -0.385   1.460  -3.228
  114    HA3  GLY  19           HA3      GLY  19   0.231   1.907  -4.809
  115    H    SER  20           H        SER  20  -1.768  -0.582  -5.464
  116    HA   SER  20           HA       SER  20  -4.024   1.255  -5.921
  117    HB2  SER  20           HB2      SER  20  -3.794  -1.381  -7.322
  118    HB3  SER  20           HB3      SER  20  -4.503   0.134  -7.886
  119    HG   SER  20           HG       SER  20  -1.857  -0.739  -7.932
  120    H    GLY  21           H        GLY  21  -6.138   0.599  -5.474
  121    HA2  GLY  21           HA2      GLY  21  -7.806  -0.759  -4.550
  122    HA3  GLY  21           HA3      GLY  21  -6.579  -1.942  -4.125
  123    H    HIS  22           H        HIS  22  -8.072  -1.812  -2.150
  124    HA   HIS  22           HA       HIS  22  -6.622  -0.369  -0.112
  125    HB2  HIS  22           HB2      HIS  22  -9.358   0.442  -0.931
  126    HB3  HIS  22           HB3      HIS  22  -9.104   0.250   0.795
  127    HD1  HIS  22           HD1      HIS  22  -8.062   2.140   2.006
  128    HD2  HIS  22           HD2      HIS  22  -7.659   2.499  -2.120
  129    HE1  HIS  22           HE1      HIS  22  -7.204   4.463   1.610
  130    HE2  HIS  22           HE2      HIS  22  -7.107   4.715  -0.896
  131    H    ILE  23           H        ILE  23  -7.474  -0.969   2.075
  132    HA   ILE  23           HA       ILE  23  -8.147  -3.781   2.172
  133    HB   ILE  23           HB       ILE  23  -6.879  -1.941   3.914
  134   HG12  ILE  23          HG12      ILE  23  -6.363  -4.365   3.366
  135   HG13  ILE  23          HG13      ILE  23  -6.137  -3.877   5.041
  136   HG21  ILE  23          HG21      ILE  23  -9.209  -1.590   4.831
  137   HG22  ILE  23          HG22      ILE  23  -9.140  -3.262   5.387
  138   HG23  ILE  23          HG23      ILE  23  -7.975  -2.082   5.990
  139   HD11  ILE  23          HD11      ILE  23  -7.185  -5.910   5.250
  140   HD12  ILE  23          HD12      ILE  23  -8.540  -4.788   5.362
  141   HD13  ILE  23          HD13      ILE  23  -8.224  -5.642   3.851
  142    H    THR  24           H        THR  24  -9.673  -0.688   2.468
  143    HA   THR  24           HA       THR  24 -12.127  -1.663   3.578
  144    HB   THR  24           HB       THR  24 -11.279   0.651   3.962
  145    HG1  THR  24           HG1      THR  24 -13.495   0.178   4.281
  146   HG21  THR  24          HG21      THR  24 -10.424   1.332   1.881
  147   HG22  THR  24          HG22      THR  24 -11.869   2.312   2.124
  148   HG23  THR  24          HG23      THR  24 -11.917   0.924   1.037
  149    H    GLY  25           H        GLY  25 -10.856  -1.198   0.370
  150    HA2  GLY  25           HA2      GLY  25 -11.713  -1.755  -1.689
  151    HA3  GLY  25           HA3      GLY  25 -12.965  -2.645  -0.837
  152    H    ASN  26           H        ASN  26 -12.347   0.782  -0.476
  153    HA   ASN  26           HA       ASN  26 -14.966   1.341  -1.707
  154    HB2  ASN  26           HB2      ASN  26 -13.788   2.162   0.891
  155    HB3  ASN  26           HB3      ASN  26 -14.736   3.373   0.040
  156   HD21  ASN  26          HD21      ASN  26 -14.913   1.115   2.333
  157   HD22  ASN  26          HD22      ASN  26 -16.587   0.696   2.209
  158    H    TYR  27           H        TYR  27 -11.733   1.829  -2.067
  159    HA   TYR  27           HA       TYR  27 -12.123   4.451  -3.349
  160    HB2  TYR  27           HB2      TYR  27  -9.675   3.324  -1.977
  161    HB3  TYR  27           HB3      TYR  27  -9.679   4.800  -2.919
  162    HD1  TYR  27           HD2      TYR  27 -11.299   3.224   0.042
  163    HD2  TYR  27           HD1      TYR  27 -10.102   6.839  -1.859
  164    HE1  TYR  27           HE2      TYR  27 -11.886   4.478   2.070
  165    HE2  TYR  27           HE1      TYR  27 -10.679   8.101   0.171
  166    HH   TYR  27           HH       TYR  27 -12.224   7.802   2.164
  167    H    ALA  28           H        ALA  28  -9.771   4.609  -4.734
  168    HA   ALA  28           HA       ALA  28  -9.954   2.325  -6.584
  169    HB1  ALA  28           HB1      ALA  28  -8.716   4.082  -8.111
  170    HB2  ALA  28           HB2      ALA  28 -10.471   4.102  -7.932
  171    HB3  ALA  28           HB3      ALA  28  -9.477   5.231  -7.010
  172    H    SER  29           H        SER  29  -7.673   4.631  -5.117
  173    HA   SER  29           HA       SER  29  -5.703   2.494  -4.936
  174    HB2  SER  29           HB2      SER  29  -4.158   4.672  -5.766
  175    HB3  SER  29           HB3      SER  29  -4.512   3.219  -6.700
  176    HG   SER  29           HG       SER  29  -6.174   4.249  -7.710
  177    H    HIS  30           H        HIS  30  -3.653   3.464  -3.771
  178    HA   HIS  30           HA       HIS  30  -4.392   5.535  -1.845
  179    HB2  HIS  30           HB2      HIS  30  -3.793   4.123   0.058
  180    HB3  HIS  30           HB3      HIS  30  -5.123   3.402  -0.838
  181    HD1  HIS  30           HD1      HIS  30  -4.613   1.161  -2.121
  182    HD2  HIS  30           HD2      HIS  30  -1.429   2.702   0.074
  183    HE1  HIS  30           HE1      HIS  30  -2.824  -0.636  -2.076
  184    H    ARG  31           H        ARG  31  -2.328   5.525  -0.156
  185    HA   ARG  31           HA       ARG  31   0.170   5.054  -1.538
  186    HB2  ARG  31           HB2      ARG  31  -0.890   7.443  -2.089
  187    HB3  ARG  31           HB3      ARG  31  -0.122   7.847  -0.559
  188    HG2  ARG  31           HG2      ARG  31   1.605   8.333  -1.933
  189    HG3  ARG  31           HG3      ARG  31   1.928   6.610  -1.728
  190    HD2  ARG  31           HD2      ARG  31   1.985   6.674  -3.992
  191    HD3  ARG  31           HD3      ARG  31   0.245   6.478  -3.794
  192    HE   ARG  31           HE       ARG  31   1.331   9.193  -3.973
  193   HH11  ARG  31          HH12      ARG  31  -0.371   6.548  -5.508
  194   HH12  ARG  31          HH11      ARG  31  -1.153   7.566  -6.688
  195   HH21  ARG  31          HH22      ARG  31   0.348  10.525  -5.522
  196   HH22  ARG  31          HH21      ARG  31  -0.710   9.838  -6.720
  197    H    SER  32           H        SER  32  -1.508   4.699   1.107
  198    HA   SER  32           HA       SER  32   0.846   4.872   2.834
  199    HB2  SER  32           HB2      SER  32  -1.542   5.400   4.371
  200    HB3  SER  32           HB3      SER  32  -0.080   6.373   4.226
  201    HG   SER  32           HG       SER  32  -1.172   7.702   3.042
  202    H    LEU  33           H        LEU  33   0.423   3.562   4.914
  203    HA   LEU  33           HA       LEU  33  -0.357   0.949   4.110
  204    HB2  LEU  33           HB2      LEU  33   1.047   2.197   6.298
  205    HB3  LEU  33           HB3      LEU  33  -0.074   0.987   6.895
  206    HG   LEU  33           HG       LEU  33   1.770   0.307   4.655
  207   HD11  LEU  33          HD11      LEU  33   3.272   1.255   6.240
  208   HD12  LEU  33          HD12      LEU  33   2.478   0.421   7.576
  209   HD13  LEU  33          HD13      LEU  33   3.385  -0.499   6.374
  210   HD21  LEU  33          HD21      LEU  33  -0.066  -1.214   5.357
  211   HD22  LEU  33          HD22      LEU  33   1.538  -1.924   5.539
  212   HD23  LEU  33          HD23      LEU  33   0.677  -1.312   6.953
  213    H    SER  34           H        SER  34  -2.172   3.510   5.088
  214    HA   SER  34           HA       SER  34  -4.141   2.101   6.661
  215    HB2  SER  34           HB2      SER  34  -5.193   4.479   5.492
  216    HB3  SER  34           HB3      SER  34  -4.701   4.215   7.167
  217    HG   SER  34           HG       SER  34  -2.927   5.292   6.817
  218    H    GLY  35           H        GLY  35  -3.272   2.365   3.413
  219    HA2  GLY  35           HA2      GLY  35  -5.969   1.560   2.538
  220    HA3  GLY  35           HA3      GLY  35  -4.827   2.432   1.530
  221    H    CYS  36           H        CYS  36  -2.695   0.560   2.777
  222    HA   CYS  36           HA       CYS  36  -2.408  -1.134   0.604
  223    HB2  CYS  36           HB2      CYS  36  -1.282  -1.270   3.401
  224    HB3  CYS  36           HB3      CYS  36  -0.820  -2.416   2.141
  225    HA   PRO  37           HA       PRO  37  -5.419  -4.302   1.831
  226    HB2  PRO  37           HB2      PRO  37  -5.547  -5.485  -0.583
  227    HB3  PRO  37           HB3      PRO  37  -6.410  -3.983  -0.237
  228    HG2  PRO  37           HG2      PRO  37  -3.826  -4.390  -1.684
  229    HG3  PRO  37           HG3      PRO  37  -5.173  -3.304  -2.081
  230    HD2  PRO  37           HD2      PRO  37  -2.883  -2.479  -0.818
  231    HD3  PRO  37           HD3      PRO  37  -4.457  -1.691  -0.625
  232    H    ARG  38           H        ARG  38  -2.202  -4.295   0.905
  233    HA   ARG  38           HA       ARG  38  -1.888  -7.169   1.472
  234    HB2  ARG  38           HB2      ARG  38  -0.227  -5.305  -0.217
  235    HB3  ARG  38           HB3      ARG  38   0.386  -6.851   0.358
  236    HG2  ARG  38           HG2      ARG  38  -0.716  -7.979  -1.203
  237    HG3  ARG  38           HG3      ARG  38  -2.209  -7.079  -0.918
  238    HD2  ARG  38           HD2      ARG  38  -0.561  -5.226  -2.114
  239    HD3  ARG  38           HD3      ARG  38  -0.179  -6.723  -2.963
  240    HE   ARG  38           HE       ARG  38  -2.811  -6.816  -3.066
  241   HH11  ARG  38          HH12      ARG  38  -0.726  -4.049  -3.470
  242   HH12  ARG  38          HH11      ARG  38  -1.719  -3.293  -4.684
  243   HH21  ARG  38          HH22      ARG  38  -4.167  -5.818  -4.622
  244   HH22  ARG  38          HH21      ARG  38  -3.692  -4.305  -5.333
  245    H    ALA  39           H        ALA  39  -2.199  -4.973   3.335
  246    HA   ALA  39           HA       ALA  39  -0.012  -3.791   4.376
  247    HB1  ALA  39           HB1      ALA  39  -1.163  -4.023   6.631
  248    HB2  ALA  39           HB2      ALA  39  -2.088  -3.268   5.333
  249    HB3  ALA  39           HB3      ALA  39  -2.399  -4.946   5.777
  250    H    LYS  40           H        LYS  40   1.687  -4.257   5.622
  251    HA   LYS  40           HA       LYS  40   2.788  -6.811   5.576
  252    HB2  LYS  40           HB2      LYS  40   3.514  -4.613   7.517
  253    HB3  LYS  40           HB3      LYS  40   4.549  -5.921   6.960
  254    HG2  LYS  40           HG2      LYS  40   5.189  -4.766   5.181
  255    HG3  LYS  40           HG3      LYS  40   3.522  -4.383   4.744
  256    HD2  LYS  40           HD2      LYS  40   4.633  -2.314   5.133
  257    HD3  LYS  40           HD3      LYS  40   3.579  -2.602   6.519
  258    HE2  LYS  40           HE2      LYS  40   5.954  -3.813   7.236
  259    HE3  LYS  40           HE3      LYS  40   6.469  -2.353   6.394
  260    HZ1  LYS  40           HZ1      LYS  40   5.438  -0.998   7.925
  261    HZ2  LYS  40           HZ2      LYS  40   5.996  -2.259   8.909
  262    HZ3  LYS  40           HZ3      LYS  40   4.363  -2.202   8.450
  263    H    LYS  41           H        LYS  41   1.747  -8.468   6.520
  264    HA   LYS  41           HA       LYS  41   0.818  -8.158   9.285
  265    HB2  LYS  41           HB2      LYS  41  -0.097  -9.707   6.968
  266    HB3  LYS  41           HB3      LYS  41  -0.034 -10.640   8.457
  267    HG2  LYS  41           HG2      LYS  41  -2.080  -9.832   8.818
  268    HG3  LYS  41           HG3      LYS  41  -1.252  -8.348   9.291
  269    HD2  LYS  41           HD2      LYS  41  -1.359  -8.059   6.595
  270    HD3  LYS  41           HD3      LYS  41  -2.856  -8.941   6.907
  271    HE2  LYS  41           HE2      LYS  41  -2.704  -6.976   8.897
  272    HE3  LYS  41           HE3      LYS  41  -2.225  -6.178   7.401
  273    HZ1  LYS  41           HZ1      LYS  41  -4.758  -7.604   7.967
  274    HZ2  LYS  41           HZ2      LYS  41  -4.282  -7.176   6.395
  275    HZ3  LYS  41           HZ3      LYS  41  -4.548  -5.970   7.561
  276    H    SER  42           H        SER  42   1.798 -11.107   7.607
  277    HA   SER  42           HA       SER  42   3.424 -11.918   9.839
  278    HB2  SER  42           HB2      SER  42   3.961 -13.628   7.689
  279    HB3  SER  42           HB3      SER  42   2.794 -13.898   8.985
  280    HG   SER  42           HG       SER  42   1.175 -13.302   7.703
  281    H    GLY  43           H        GLY  43   3.906 -10.646   6.611
  282    HA2  GLY  43           HA2      GLY  43   6.714 -10.136   7.309
  283    HA3  GLY  43           HA3      GLY  43   6.317 -10.816   5.734
  284    H    LEU  44           H        LEU  44   7.614  -8.640   5.421
  285    HA   LEU  44           HA       LEU  44   5.667  -6.448   5.156
  286    HB2  LEU  44           HB2      LEU  44   7.845  -5.106   4.722
  287    HB3  LEU  44           HB3      LEU  44   7.404  -5.535   6.362
  288    HG   LEU  44           HG       LEU  44   9.060  -7.603   5.250
  289   HD11  LEU  44          HD11      LEU  44  11.084  -5.820   5.382
  290   HD12  LEU  44          HD12      LEU  44  10.338  -6.361   3.878
  291   HD13  LEU  44          HD13      LEU  44   9.835  -4.839   4.616
  292   HD21  LEU  44          HD21      LEU  44   9.805  -5.645   7.398
  293   HD22  LEU  44          HD22      LEU  44   8.589  -6.893   7.663
  294   HD23  LEU  44          HD23      LEU  44  10.243  -7.346   7.251
  295    H    ARG  45           H        ARG  45   7.905  -8.519   3.495
  296    HA   ARG  45           HA       ARG  45   7.195  -7.276   0.922
  297    HB2  ARG  45           HB2      ARG  45   9.616  -8.508   1.950
  298    HB3  ARG  45           HB3      ARG  45   9.097  -9.270   0.453
  299    HG2  ARG  45           HG2      ARG  45  10.104  -7.624  -0.632
  300    HG3  ARG  45           HG3      ARG  45   8.850  -6.543  -0.021
  301    HD2  ARG  45           HD2      ARG  45  10.176  -5.758   1.696
  302    HD3  ARG  45           HD3      ARG  45  11.199  -7.193   1.696
  303    HE   ARG  45           HE       ARG  45  11.325  -5.401  -0.618
  304   HH11  ARG  45          HH12      ARG  45  12.811  -6.692   2.288
  305   HH12  ARG  45          HH11      ARG  45  14.374  -6.015   1.924
  306   HH21  ARG  45          HH22      ARG  45  13.399  -4.589  -1.121
  307   HH22  ARG  45          HH21      ARG  45  14.724  -4.887  -0.034
  308    H    VAL  46           H        VAL  46   5.060  -8.402   1.611
  309    HA   VAL  46           HA       VAL  46   5.117 -11.176   0.622
  310    HB   VAL  46           HB       VAL  46   2.719 -11.101   1.840
  311   HG11  VAL  46          HG11      VAL  46   3.888 -12.129   3.827
  312   HG12  VAL  46          HG12      VAL  46   4.265 -12.838   2.257
  313   HG13  VAL  46          HG13      VAL  46   5.408 -11.736   3.025
  314   HG21  VAL  46          HG21      VAL  46   2.520  -9.692   3.606
  315   HG22  VAL  46          HG22      VAL  46   4.255  -9.676   3.926
  316   HG23  VAL  46          HG23      VAL  46   3.588  -8.688   2.625
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  -2.928  10.951   9.481
    2    H2   GLY   1           H2       GLY   1  -3.208  11.908   8.114
    3    H3   GLY   1           H3       GLY   1  -1.646  11.328   8.435
    4    HA2  GLY   1           HA3      GLY   1  -2.669   9.014   8.267
    5    HA3  GLY   1           HA2      GLY   1  -4.015   9.840   7.492
    6    H    SER   2           H        SER   2  -3.657  10.928   5.498
    7    HA   SER   2           HA       SER   2  -1.249   9.984   4.091
    8    HB2  SER   2           HB2      SER   2  -3.928  10.506   2.805
    9    HB3  SER   2           HB3      SER   2  -2.555   9.618   2.144
   10    HG   SER   2           HG       SER   2  -4.232   8.846   4.316
   11    H    MET   3           H        MET   3   0.060  11.700   3.963
   12    HA   MET   3           HA       MET   3  -0.990  14.381   3.594
   13    HB2  MET   3           HB2      MET   3   1.665  13.187   4.198
   14    HB3  MET   3           HB3      MET   3   1.647  14.751   3.398
   15    HG2  MET   3           HG2      MET   3   0.996  15.827   5.233
   16    HG3  MET   3           HG3      MET   3  -0.161  14.575   5.679
   17    HE1  MET   3           HE1      MET   3   3.508  13.519   4.951
   18    HE2  MET   3           HE2      MET   3   3.726  15.211   5.398
   19    HE3  MET   3           HE3      MET   3   4.341  13.933   6.449
   20    H    ALA   4           H        ALA   4  -1.889  13.245   1.501
   21    HA   ALA   4           HA       ALA   4  -0.371  14.340  -0.705
   22    HB1  ALA   4           HB1      ALA   4  -0.052  11.624  -0.109
   23    HB2  ALA   4           HB2      ALA   4  -1.158  11.678  -1.483
   24    HB3  ALA   4           HB3      ALA   4   0.421  12.456  -1.591
   25    H    ALA   5           H        ALA   5  -2.261  15.701  -0.618
   26    HA   ALA   5           HA       ALA   5  -4.889  14.745  -0.824
   27    HB1  ALA   5           HB1      ALA   5  -3.883  17.397  -1.845
   28    HB2  ALA   5           HB2      ALA   5  -5.525  16.996  -1.343
   29    HB3  ALA   5           HB3      ALA   5  -4.227  17.053  -0.149
   30    H    HIS   6           H        HIS   6  -2.854  16.169  -3.379
   31    HA   HIS   6           HA       HIS   6  -4.381  14.574  -5.332
   32    HB2  HIS   6           HB2      HIS   6  -4.658  17.238  -5.152
   33    HB3  HIS   6           HB3      HIS   6  -3.243  17.178  -6.198
   34    HD1  HIS   6           HD1      HIS   6  -3.791  17.146  -8.599
   35    HD2  HIS   6           HD2      HIS   6  -6.810  15.439  -6.302
   36    HE1  HIS   6           HE1      HIS   6  -5.598  16.493 -10.222
   37    HE2  HIS   6           HE2      HIS   6  -7.335  15.306  -8.834
   38    H    SER   7           H        SER   7  -1.770  14.138  -3.975
   39    HA   SER   7           HA       SER   7   0.237  14.516  -5.993
   40    HB2  SER   7           HB2      SER   7   0.562  12.596  -3.717
   41    HB3  SER   7           HB3      SER   7   1.746  13.684  -4.445
   42    HG   SER   7           HG       SER   7   0.533  15.438  -3.518
   43    H    ALA   8           H        ALA   8   1.441  12.730  -6.952
   44    HA   ALA   8           HA       ALA   8  -0.383  10.789  -8.077
   45    HB1  ALA   8           HB1      ALA   8   1.051  10.691  -9.808
   46    HB2  ALA   8           HB2      ALA   8   1.717  12.161  -9.096
   47    HB3  ALA   8           HB3      ALA   8   2.469  10.602  -8.764
   48    H    ASP   9           H        ASP   9   0.870   8.553  -8.544
   49    HA   ASP   9           HA       ASP   9   0.905   7.240  -6.016
   50    HB2  ASP   9           HB2      ASP   9   0.061   6.162  -8.083
   51    HB3  ASP   9           HB3      ASP   9   1.702   6.147  -8.723
   52    H    LEU  10           H        LEU  10   2.569   7.990  -4.785
   53    HA   LEU  10           HA       LEU  10   5.313   7.678  -5.744
   54    HB2  LEU  10           HB2      LEU  10   5.856   8.585  -3.432
   55    HB3  LEU  10           HB3      LEU  10   5.020   9.677  -4.521
   56    HG   LEU  10           HG       LEU  10   2.995   8.366  -3.083
   57   HD11  LEU  10          HD11      LEU  10   4.096   9.449  -0.801
   58   HD12  LEU  10          HD12      LEU  10   3.923   7.731  -1.163
   59   HD13  LEU  10          HD13      LEU  10   5.436   8.563  -1.527
   60   HD21  LEU  10          HD21      LEU  10   3.574  10.873  -3.890
   61   HD22  LEU  10          HD22      LEU  10   2.289  10.475  -2.749
   62   HD23  LEU  10          HD23      LEU  10   3.858  11.021  -2.154
   63    H    LYS  11           H        LYS  11   3.071   5.689  -4.767
   64    HA   LYS  11           HA       LYS  11   2.903   3.657  -3.893
   65    HB2  LYS  11           HB2      LYS  11   5.647   3.848  -4.746
   66    HB3  LYS  11           HB3      LYS  11   5.485   2.775  -3.359
   67    HG2  LYS  11           HG2      LYS  11   3.846   2.588  -5.874
   68    HG3  LYS  11           HG3      LYS  11   5.274   1.625  -5.524
   69    HD2  LYS  11           HD2      LYS  11   2.898   1.689  -3.684
   70    HD3  LYS  11           HD3      LYS  11   3.000   0.564  -5.037
   71    HE2  LYS  11           HE2      LYS  11   4.219  -0.817  -3.798
   72    HE3  LYS  11           HE3      LYS  11   5.447   0.437  -3.610
   73    HZ1  LYS  11           HZ1      LYS  11   3.028   0.328  -1.892
   74    HZ2  LYS  11           HZ2      LYS  11   4.458   1.186  -1.628
   75    HZ3  LYS  11           HZ3      LYS  11   4.451  -0.501  -1.500
   76    H    CYS  12           H        CYS  12   2.364   2.949  -2.012
   77    HA   CYS  12           HA       CYS  12   2.815   4.398   0.338
   78    HB2  CYS  12           HB2      CYS  12   1.621   2.603   1.445
   79    HB3  CYS  12           HB3      CYS  12   0.863   2.910  -0.115
   80    HA   PRO  13           HA       PRO  13   6.530   2.898   2.200
   81    HB2  PRO  13           HB2      PRO  13   5.635   2.048   4.676
   82    HB3  PRO  13           HB3      PRO  13   5.998   3.719   4.249
   83    HG2  PRO  13           HG2      PRO  13   3.368   2.324   4.336
   84    HG3  PRO  13           HG3      PRO  13   3.788   3.964   4.866
   85    HD2  PRO  13           HD2      PRO  13   2.525   3.542   2.550
   86    HD3  PRO  13           HD3      PRO  13   3.770   4.799   2.698
   87    H    THR  14           H        THR  14   3.740   0.780   2.305
   88    HA   THR  14           HA       THR  14   5.009  -1.600   3.112
   89    HB   THR  14           HB       THR  14   2.589  -1.386   1.314
   90    HG1  THR  14           HG1      THR  14   1.465  -0.779   3.024
   91   HG21  THR  14          HG21      THR  14   3.945  -3.576   2.676
   92   HG22  THR  14          HG22      THR  14   2.726  -3.621   1.401
   93   HG23  THR  14          HG23      THR  14   2.234  -3.468   3.089
   94    HA   PRO  15           HA       PRO  15   7.520  -2.130  -0.543
   95    HB2  PRO  15           HB2      PRO  15   8.184  -4.696   0.772
   96    HB3  PRO  15           HB3      PRO  15   9.253  -3.395   0.242
   97    HG2  PRO  15           HG2      PRO  15   8.775  -3.784   2.821
   98    HG3  PRO  15           HG3      PRO  15   8.902  -2.145   2.156
   99    HD2  PRO  15           HD2      PRO  15   6.445  -3.706   2.876
  100    HD3  PRO  15           HD3      PRO  15   6.821  -1.995   3.177
  101    H    GLY  16           H        GLY  16   5.774  -4.946   0.778
  102    HA2  GLY  16           HA2      GLY  16   5.736  -6.253  -1.767
  103    HA3  GLY  16           HA3      GLY  16   4.978  -6.827  -0.293
  104    H    CYS  17           H        CYS  17   3.978  -3.716  -0.800
  105    HA   CYS  17           HA       CYS  17   1.336  -4.541  -1.542
  106    HB2  CYS  17           HB2      CYS  17   2.327  -2.495  -0.090
  107    HB3  CYS  17           HB3      CYS  17   2.060  -1.679  -1.625
  108    H    ASP  18           H        ASP  18   0.136  -3.621  -3.326
  109    HA   ASP  18           HA       ASP  18   1.762  -3.351  -5.749
  110    HB2  ASP  18           HB2      ASP  18  -0.030  -4.097  -6.977
  111    HB3  ASP  18           HB3      ASP  18  -0.378  -4.895  -5.450
  112    H    GLY  19           H        GLY  19  -0.529  -1.666  -3.708
  113    HA2  GLY  19           HA2      GLY  19  -0.345   0.661  -3.347
  114    HA3  GLY  19           HA3      GLY  19   0.362   0.828  -4.940
  115    H    SER  20           H        SER  20  -2.021  -0.964  -5.890
  116    HA   SER  20           HA       SER  20  -3.768   1.369  -6.226
  117    HB2  SER  20           HB2      SER  20  -4.287  -0.816  -8.068
  118    HB3  SER  20           HB3      SER  20  -3.851   0.858  -8.411
  119    HG   SER  20           HG       SER  20  -2.124  -1.331  -7.856
  120    H    GLY  21           H        GLY  21  -4.817   0.879  -4.165
  121    HA2  GLY  21           HA2      GLY  21  -7.345   0.095  -4.381
  122    HA3  GLY  21           HA3      GLY  21  -6.550  -1.447  -4.107
  123    H    HIS  22           H        HIS  22  -8.226  -1.134  -2.308
  124    HA   HIS  22           HA       HIS  22  -6.714  -0.506   0.100
  125    HB2  HIS  22           HB2      HIS  22  -9.217   0.886  -0.698
  126    HB3  HIS  22           HB3      HIS  22  -9.134   0.331   0.962
  127    HD1  HIS  22           HD1      HIS  22  -8.500   2.159   2.451
  128    HD2  HIS  22           HD2      HIS  22  -6.574   2.486  -1.225
  129    HE1  HIS  22           HE1      HIS  22  -7.153   4.266   2.571
  130    HE2  HIS  22           HE2      HIS  22  -6.229   4.580   0.248
  131    H    ILE  23           H        ILE  23  -7.383  -1.810   1.872
  132    HA   ILE  23           HA       ILE  23  -8.665  -4.263   1.178
  133    HB   ILE  23           HB       ILE  23  -7.111  -3.295   3.348
  134   HG12  ILE  23          HG12      ILE  23  -6.837  -5.396   2.037
  135   HG13  ILE  23          HG13      ILE  23  -6.737  -5.633   3.779
  136   HG21  ILE  23          HG21      ILE  23  -9.795  -4.326   4.206
  137   HG22  ILE  23          HG22      ILE  23  -8.362  -4.497   5.220
  138   HG23  ILE  23          HG23      ILE  23  -8.931  -2.891   4.758
  139   HD11  ILE  23          HD11      ILE  23  -8.750  -6.589   1.840
  140   HD12  ILE  23          HD12      ILE  23  -8.084  -7.372   3.275
  141   HD13  ILE  23          HD13      ILE  23  -9.332  -6.136   3.444
  142    H    THR  24           H        THR  24  -9.708  -1.214   2.420
  143    HA   THR  24           HA       THR  24 -12.198  -2.053   3.496
  144    HB   THR  24           HB       THR  24 -11.008   0.128   4.005
  145    HG1  THR  24           HG1      THR  24 -13.230  -0.317   4.576
  146   HG21  THR  24          HG21      THR  24 -12.007   1.975   2.384
  147   HG22  THR  24          HG22      THR  24 -11.895   0.656   1.220
  148   HG23  THR  24          HG23      THR  24 -10.452   1.203   2.072
  149    H    GLY  25           H        GLY  25 -11.088  -1.649   0.282
  150    HA2  GLY  25           HA2      GLY  25 -12.136  -1.967  -1.734
  151    HA3  GLY  25           HA3      GLY  25 -13.491  -2.611  -0.822
  152    H    ASN  26           H        ASN  26 -12.359   0.629  -0.287
  153    HA   ASN  26           HA       ASN  26 -14.795   1.649  -1.593
  154    HB2  ASN  26           HB2      ASN  26 -13.580   2.192   1.068
  155    HB3  ASN  26           HB3      ASN  26 -14.344   3.540   0.241
  156   HD21  ASN  26          HD21      ASN  26 -14.900   1.447   2.538
  157   HD22  ASN  26          HD22      ASN  26 -16.595   1.179   2.344
  158    H    TYR  27           H        TYR  27 -11.536   1.584  -1.874
  159    HA   TYR  27           HA       TYR  27 -11.451   4.275  -3.061
  160    HB2  TYR  27           HB2      TYR  27  -9.359   2.824  -1.445
  161    HB3  TYR  27           HB3      TYR  27  -8.984   4.212  -2.446
  162    HD1  TYR  27           HD1      TYR  27 -10.914   3.087   0.497
  163    HD2  TYR  27           HD2      TYR  27  -9.468   6.428  -1.709
  164    HE1  TYR  27           HE1      TYR  27 -11.561   4.577   2.339
  165    HE2  TYR  27           HE2      TYR  27 -10.117   7.929   0.128
  166    HH   TYR  27           HH       TYR  27 -11.639   7.986   2.024
  167    H    ALA  28           H        ALA  28  -9.562   4.442  -4.647
  168    HA   ALA  28           HA       ALA  28  -9.591   2.020  -6.321
  169    HB1  ALA  28           HB1      ALA  28  -9.613   4.913  -6.911
  170    HB2  ALA  28           HB2      ALA  28  -8.647   3.906  -7.988
  171    HB3  ALA  28           HB3      ALA  28 -10.366   3.573  -7.774
  172    H    SER  29           H        SER  29  -7.543   4.274  -4.642
  173    HA   SER  29           HA       SER  29  -5.302   2.492  -4.927
  174    HB2  SER  29           HB2      SER  29  -3.949   4.727  -5.634
  175    HB3  SER  29           HB3      SER  29  -4.546   3.546  -6.800
  176    HG   SER  29           HG       SER  29  -6.009   5.828  -5.934
  177    H    HIS  30           H        HIS  30  -3.288   3.722  -3.860
  178    HA   HIS  30           HA       HIS  30  -3.943   5.581  -1.784
  179    HB2  HIS  30           HB2      HIS  30  -3.620   4.157   0.119
  180    HB3  HIS  30           HB3      HIS  30  -4.807   3.373  -0.904
  181    HD1  HIS  30           HD1      HIS  30  -3.707   1.452  -2.553
  182    HD2  HIS  30           HD2      HIS  30  -1.601   2.507   0.874
  183    HE1  HIS  30           HE1      HIS  30  -2.018  -0.384  -2.165
  184    H    ARG  31           H        ARG  31  -1.960   6.033  -0.428
  185    HA   ARG  31           HA       ARG  31   0.543   5.084  -1.597
  186    HB2  ARG  31           HB2      ARG  31   1.299   7.594  -1.574
  187    HB3  ARG  31           HB3      ARG  31   0.462   6.923  -2.967
  188    HG2  ARG  31           HG2      ARG  31  -1.667   7.806  -1.725
  189    HG3  ARG  31           HG3      ARG  31  -0.500   8.861  -0.924
  190    HD2  ARG  31           HD2      ARG  31  -0.960  10.179  -2.705
  191    HD3  ARG  31           HD3      ARG  31   0.303   9.195  -3.443
  192    HE   ARG  31           HE       ARG  31  -1.366   7.967  -4.605
  193   HH11  ARG  31          HH12      ARG  31  -2.643  10.687  -2.798
  194   HH12  ARG  31          HH11      ARG  31  -4.109  10.782  -3.726
  195   HH21  ARG  31          HH22      ARG  31  -3.296   8.091  -5.828
  196   HH22  ARG  31          HH21      ARG  31  -4.490   9.292  -5.429
  197    H    SER  32           H        SER  32  -0.999   5.094   1.045
  198    HA   SER  32           HA       SER  32   1.357   5.611   2.669
  199    HB2  SER  32           HB2      SER  32  -0.668   6.573   4.312
  200    HB3  SER  32           HB3      SER  32   0.544   7.547   3.478
  201    HG   SER  32           HG       SER  32  -1.997   7.740   3.162
  202    H    LEU  33           H        LEU  33   1.066   4.723   4.918
  203    HA   LEU  33           HA       LEU  33  -0.087   2.111   4.745
  204    HB2  LEU  33           HB2      LEU  33   1.763   3.532   6.473
  205    HB3  LEU  33           HB3      LEU  33   0.646   2.540   7.392
  206    HG   LEU  33           HG       LEU  33   2.321   1.500   5.117
  207   HD11  LEU  33          HD11      LEU  33   3.421   0.367   7.270
  208   HD12  LEU  33          HD12      LEU  33   4.004   1.882   6.583
  209   HD13  LEU  33          HD13      LEU  33   2.932   1.905   7.983
  210   HD21  LEU  33          HD21      LEU  33   0.527   0.045   5.391
  211   HD22  LEU  33          HD22      LEU  33   1.793  -0.670   6.392
  212   HD23  LEU  33          HD23      LEU  33   0.495   0.259   7.143
  213    H    SER  34           H        SER  34  -2.281   3.067   4.385
  214    HA   SER  34           HA       SER  34  -3.661   3.293   6.968
  215    HB2  SER  34           HB2      SER  34  -4.508   4.860   4.535
  216    HB3  SER  34           HB3      SER  34  -5.050   5.061   6.200
  217    HG   SER  34           HG       SER  34  -2.385   5.321   6.091
  218    H    GLY  35           H        GLY  35  -3.895   2.545   3.511
  219    HA2  GLY  35           HA2      GLY  35  -5.928   0.538   4.192
  220    HA3  GLY  35           HA3      GLY  35  -6.250   1.685   2.900
  221    H    CYS  36           H        CYS  36  -3.520  -0.375   3.872
  222    HA   CYS  36           HA       CYS  36  -2.826  -0.956   1.151
  223    HB2  CYS  36           HB2      CYS  36  -1.860  -1.918   3.836
  224    HB3  CYS  36           HB3      CYS  36  -1.285  -2.654   2.337
  225    HA   PRO  37           HA       PRO  37  -5.731  -4.390   0.930
  226    HB2  PRO  37           HB2      PRO  37  -5.463  -4.842  -1.710
  227    HB3  PRO  37           HB3      PRO  37  -6.396  -3.479  -1.086
  228    HG2  PRO  37           HG2      PRO  37  -3.642  -3.529  -2.224
  229    HG3  PRO  37           HG3      PRO  37  -4.917  -2.313  -2.417
  230    HD2  PRO  37           HD2      PRO  37  -2.782  -2.083  -0.687
  231    HD3  PRO  37           HD3      PRO  37  -4.322  -1.221  -0.509
  232    H    ARG  38           H        ARG  38  -2.402  -4.257  -0.029
  233    HA   ARG  38           HA       ARG  38  -2.193  -7.178   0.275
  234    HB2  ARG  38           HB2      ARG  38   0.015  -5.658  -1.028
  235    HB3  ARG  38           HB3      ARG  38  -0.520  -7.305  -1.299
  236    HG2  ARG  38           HG2      ARG  38  -2.652  -5.839  -2.184
  237    HG3  ARG  38           HG3      ARG  38  -1.272  -4.842  -2.647
  238    HD2  ARG  38           HD2      ARG  38  -0.492  -6.369  -4.125
  239    HD3  ARG  38           HD3      ARG  38  -1.047  -7.737  -3.164
  240    HE   ARG  38           HE       ARG  38  -3.278  -6.362  -4.187
  241   HH11  ARG  38          HH12      ARG  38  -0.639  -8.396  -5.276
  242   HH12  ARG  38          HH11      ARG  38  -1.501  -8.991  -6.660
  243   HH21  ARG  38          HH22      ARG  38  -4.416  -7.146  -6.015
  244   HH22  ARG  38          HH21      ARG  38  -3.659  -8.312  -7.061
  245    H    ALA  39           H        ALA  39  -2.370  -5.548   2.460
  246    HA   ALA  39           HA       ALA  39  -0.018  -4.386   3.365
  247    HB1  ALA  39           HB1      ALA  39  -1.017  -4.509   5.610
  248    HB2  ALA  39           HB2      ALA  39  -2.120  -3.869   4.391
  249    HB3  ALA  39           HB3      ALA  39  -2.296  -5.529   4.957
  250    H    LYS  40           H        LYS  40   1.777  -5.530   3.226
  251    HA   LYS  40           HA       LYS  40   3.435  -6.962   3.777
  252    HB2  LYS  40           HB2      LYS  40   1.697  -7.229   6.229
  253    HB3  LYS  40           HB3      LYS  40   3.253  -8.034   6.078
  254    HG2  LYS  40           HG2      LYS  40   3.995  -6.174   7.097
  255    HG3  LYS  40           HG3      LYS  40   3.983  -5.530   5.454
  256    HD2  LYS  40           HD2      LYS  40   1.385  -5.162   6.371
  257    HD3  LYS  40           HD3      LYS  40   2.406  -4.759   7.753
  258    HE2  LYS  40           HE2      LYS  40   3.031  -2.836   6.823
  259    HE3  LYS  40           HE3      LYS  40   3.481  -3.642   5.319
  260    HZ1  LYS  40           HZ1      LYS  40   0.816  -2.580   6.090
  261    HZ2  LYS  40           HZ2      LYS  40   1.050  -3.609   4.769
  262    HZ3  LYS  40           HZ3      LYS  40   1.800  -2.096   4.792
  263    H    LYS  41           H        LYS  41   2.956  -9.433   5.410
  264    HA   LYS  41           HA       LYS  41   1.142 -11.106   4.016
  265    HB2  LYS  41           HB2      LYS  41   3.522 -10.627   2.638
  266    HB3  LYS  41           HB3      LYS  41   3.790 -12.175   3.427
  267    HG2  LYS  41           HG2      LYS  41   2.715 -13.116   1.737
  268    HG3  LYS  41           HG3      LYS  41   1.238 -12.373   2.351
  269    HD2  LYS  41           HD2      LYS  41   2.620 -10.380   0.912
  270    HD3  LYS  41           HD3      LYS  41   2.647 -11.841  -0.079
  271    HE2  LYS  41           HE2      LYS  41   0.547 -11.439  -0.678
  272    HE3  LYS  41           HE3      LYS  41   0.053 -11.641   1.003
  273    HZ1  LYS  41           HZ1      LYS  41   0.775  -9.132  -0.394
  274    HZ2  LYS  41           HZ2      LYS  41   0.676  -9.236   1.298
  275    HZ3  LYS  41           HZ3      LYS  41  -0.700  -9.534   0.347
  276    H    SER  42           H        SER  42   1.850 -13.531   4.520
  277    HA   SER  42           HA       SER  42   2.035 -13.814   7.321
  278    HB2  SER  42           HB2      SER  42   2.899 -16.100   5.650
  279    HB3  SER  42           HB3      SER  42   1.655 -16.022   6.899
  280    HG   SER  42           HG       SER  42   0.285 -14.998   5.395
  281    H    GLY  43           H        GLY  43   4.385 -14.205   4.705
  282    HA2  GLY  43           HA2      GLY  43   6.534 -13.934   6.719
  283    HA3  GLY  43           HA3      GLY  43   6.741 -14.828   5.216
  284    H    LEU  44           H        LEU  44   5.705 -11.629   6.346
  285    HA   LEU  44           HA       LEU  44   5.993 -10.318   3.917
  286    HB2  LEU  44           HB2      LEU  44   6.114  -8.232   5.371
  287    HB3  LEU  44           HB3      LEU  44   4.694  -9.247   5.533
  288    HG   LEU  44           HG       LEU  44   6.421 -10.232   7.468
  289   HD11  LEU  44          HD11      LEU  44   6.809  -7.990   8.723
  290   HD12  LEU  44          HD12      LEU  44   7.968  -8.532   7.508
  291   HD13  LEU  44          HD13      LEU  44   6.780  -7.295   7.104
  292   HD21  LEU  44          HD21      LEU  44   4.715  -9.744   8.881
  293   HD22  LEU  44          HD22      LEU  44   4.504  -8.115   8.241
  294   HD23  LEU  44          HD23      LEU  44   3.865  -9.498   7.354
  295    H    ARG  45           H        ARG  45   7.615  -9.472   2.829
  296    HA   ARG  45           HA       ARG  45   9.688  -8.821   2.197
  297    HB2  ARG  45           HB2      ARG  45   9.290  -7.736   4.793
  298    HB3  ARG  45           HB3      ARG  45  10.964  -8.265   4.686
  299    HG2  ARG  45           HG2      ARG  45  10.969  -6.988   2.437
  300    HG3  ARG  45           HG3      ARG  45   9.530  -6.195   3.081
  301    HD2  ARG  45           HD2      ARG  45  11.840  -5.113   3.480
  302    HD3  ARG  45           HD3      ARG  45  10.699  -5.205   4.821
  303    HE   ARG  45           HE       ARG  45  12.011  -6.910   5.793
  304   HH11  ARG  45          HH12      ARG  45  13.422  -5.581   2.876
  305   HH12  ARG  45          HH11      ARG  45  14.995  -6.260   3.175
  306   HH21  ARG  45          HH22      ARG  45  14.072  -7.801   6.197
  307   HH22  ARG  45          HH21      ARG  45  15.381  -7.469   5.097
  308    H    VAL  46           H        VAL  46   9.167 -11.630   3.162
  309    HA   VAL  46           HA       VAL  46  11.982 -12.396   3.582
  310    HB   VAL  46           HB       VAL  46   9.580 -14.115   4.223
  311   HG11  VAL  46          HG11      VAL  46  12.326 -14.684   3.978
  312   HG12  VAL  46          HG12      VAL  46  11.952 -14.720   5.701
  313   HG13  VAL  46          HG13      VAL  46  11.050 -15.741   4.582
  314   HG21  VAL  46          HG21      VAL  46  11.049 -13.230   6.535
  315   HG22  VAL  46          HG22      VAL  46  10.408 -11.855   5.637
  316   HG23  VAL  46          HG23      VAL  46   9.322 -13.128   6.196
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  17.983 -10.648   9.220
    2    H2   GLY   1           H2       GLY   1  18.268  -9.001   8.957
    3    H3   GLY   1           H3       GLY   1  19.058 -10.157   8.001
    4    HA2  GLY   1           HA3      GLY   1  17.379  -9.414   6.610
    5    HA3  GLY   1           HA2      GLY   1  16.735 -10.899   7.300
    6    H    SER   2           H        SER   2  14.769  -9.638   6.464
    7    HA   SER   2           HA       SER   2  12.842  -8.504   6.857
    8    HB2  SER   2           HB2      SER   2  13.310  -8.781   9.806
    9    HB3  SER   2           HB3      SER   2  11.811  -8.957   8.896
   10    HG   SER   2           HG       SER   2  12.992 -10.856   7.908
   11    H    MET   3           H        MET   3  13.867  -6.536   6.067
   12    HA   MET   3           HA       MET   3  14.177  -4.529   8.207
   13    HB2  MET   3           HB2      MET   3  16.318  -4.740   7.247
   14    HB3  MET   3           HB3      MET   3  15.672  -4.890   5.619
   15    HG2  MET   3           HG2      MET   3  15.050  -2.348   6.932
   16    HG3  MET   3           HG3      MET   3  16.769  -2.641   6.680
   17    HE1  MET   3           HE1      MET   3  17.339  -1.607   3.197
   18    HE2  MET   3           HE2      MET   3  17.495  -0.989   4.842
   19    HE3  MET   3           HE3      MET   3  17.965  -2.647   4.477
   20    H    ALA   4           H        ALA   4  12.915  -2.761   8.097
   21    HA   ALA   4           HA       ALA   4  11.323  -2.369   5.646
   22    HB1  ALA   4           HB1      ALA   4  10.224  -1.322   8.172
   23    HB2  ALA   4           HB2      ALA   4   9.414  -2.122   6.824
   24    HB3  ALA   4           HB3      ALA   4  10.274  -3.079   8.030
   25    H    ALA   5           H        ALA   5  12.506  -0.796   4.679
   26    HA   ALA   5           HA       ALA   5  13.248   1.556   6.277
   27    HB1  ALA   5           HB1      ALA   5  14.220   0.909   3.506
   28    HB2  ALA   5           HB2      ALA   5  14.925   2.018   4.682
   29    HB3  ALA   5           HB3      ALA   5  14.992   0.277   4.960
   30    H    HIS   6           H        HIS   6  13.058   3.667   5.221
   31    HA   HIS   6           HA       HIS   6  10.815   3.813   3.320
   32    HB2  HIS   6           HB2      HIS   6  10.191   4.433   5.708
   33    HB3  HIS   6           HB3      HIS   6  11.280   5.806   5.547
   34    HD1  HIS   6           HD1      HIS   6   9.076   7.243   5.995
   35    HD2  HIS   6           HD2      HIS   6   9.187   5.178   2.386
   36    HE1  HIS   6           HE1      HIS   6   7.312   8.305   4.549
   37    HE2  HIS   6           HE2      HIS   6   7.501   7.145   2.316
   38    H    SER   7           H        SER   7  13.139   3.731   2.202
   39    HA   SER   7           HA       SER   7  14.332   6.376   1.998
   40    HB2  SER   7           HB2      SER   7  15.285   4.352   0.114
   41    HB3  SER   7           HB3      SER   7  16.183   5.276   1.323
   42    HG   SER   7           HG       SER   7  15.341   3.797   2.909
   43    H    ALA   8           H        ALA   8  12.271   4.192   0.236
   44    HA   ALA   8           HA       ALA   8  12.109   6.068  -2.016
   45    HB1  ALA   8           HB1      ALA   8  12.431   3.774  -2.683
   46    HB2  ALA   8           HB2      ALA   8  11.052   3.261  -1.710
   47    HB3  ALA   8           HB3      ALA   8  10.800   4.281  -3.124
   48    H    ASP   9           H        ASP   9  10.023   6.771  -2.736
   49    HA   ASP   9           HA       ASP   9   7.732   6.414  -1.007
   50    HB2  ASP   9           HB2      ASP   9   9.394   8.291  -0.089
   51    HB3  ASP   9           HB3      ASP   9   8.576   9.267  -1.302
   52    H    LEU  10           H        LEU  10   8.176   5.804  -3.641
   53    HA   LEU  10           HA       LEU  10   6.891   7.836  -5.282
   54    HB2  LEU  10           HB2      LEU  10   7.118   6.240  -7.106
   55    HB3  LEU  10           HB3      LEU  10   8.650   6.440  -6.278
   56    HG   LEU  10           HG       LEU  10   7.113   4.220  -5.198
   57   HD11  LEU  10          HD11      LEU  10   6.322   3.361  -7.093
   58   HD12  LEU  10          HD12      LEU  10   7.217   4.515  -8.082
   59   HD13  LEU  10          HD13      LEU  10   8.000   3.035  -7.529
   60   HD21  LEU  10          HD21      LEU  10   9.227   3.063  -5.490
   61   HD22  LEU  10          HD22      LEU  10   9.839   4.389  -6.476
   62   HD23  LEU  10          HD23      LEU  10   9.492   4.649  -4.766
   63    H    LYS  11           H        LYS  11   6.188   4.948  -3.519
   64    HA   LYS  11           HA       LYS  11   3.346   5.432  -3.941
   65    HB2  LYS  11           HB2      LYS  11   2.858   3.092  -4.229
   66    HB3  LYS  11           HB3      LYS  11   4.053   3.562  -5.424
   67    HG2  LYS  11           HG2      LYS  11   5.771   2.410  -4.344
   68    HG3  LYS  11           HG3      LYS  11   4.857   2.285  -2.836
   69    HD2  LYS  11           HD2      LYS  11   3.176   1.017  -4.492
   70    HD3  LYS  11           HD3      LYS  11   4.704   0.663  -5.299
   71    HE2  LYS  11           HE2      LYS  11   3.952  -1.040  -3.609
   72    HE3  LYS  11           HE3      LYS  11   5.579  -0.406  -3.380
   73    HZ1  LYS  11           HZ1      LYS  11   4.764   1.040  -1.652
   74    HZ2  LYS  11           HZ2      LYS  11   4.323  -0.554  -1.303
   75    HZ3  LYS  11           HZ3      LYS  11   3.167   0.530  -1.904
   76    H    CYS  12           H        CYS  12   2.697   3.118  -2.303
   77    HA   CYS  12           HA       CYS  12   2.892   4.375   0.231
   78    HB2  CYS  12           HB2      CYS  12   1.629   2.303   0.961
   79    HB3  CYS  12           HB3      CYS  12   0.868   3.274  -0.293
   80    HA   PRO  13           HA       PRO  13   6.266   2.492   2.244
   81    HB2  PRO  13           HB2      PRO  13   4.520   1.453   4.403
   82    HB3  PRO  13           HB3      PRO  13   5.858   2.595   4.494
   83    HG2  PRO  13           HG2      PRO  13   3.352   3.424   4.749
   84    HG3  PRO  13           HG3      PRO  13   4.549   4.395   3.869
   85    HD2  PRO  13           HD2      PRO  13   2.390   2.618   2.799
   86    HD3  PRO  13           HD3      PRO  13   2.918   4.216   2.231
   87    H    THR  14           H        THR  14   3.466   0.286   2.242
   88    HA   THR  14           HA       THR  14   4.867  -2.028   2.949
   89    HB   THR  14           HB       THR  14   2.409  -2.038   1.216
   90    HG1  THR  14           HG1      THR  14   1.331  -1.151   2.810
   91   HG21  THR  14          HG21      THR  14   1.950  -4.119   2.161
   92   HG22  THR  14          HG22      THR  14   3.005  -3.834   3.547
   93   HG23  THR  14          HG23      THR  14   3.702  -4.164   1.960
   94    HA   PRO  15           HA       PRO  15   7.200  -2.672  -0.786
   95    HB2  PRO  15           HB2      PRO  15   7.978  -5.168   0.586
   96    HB3  PRO  15           HB3      PRO  15   8.989  -3.844   0.005
   97    HG2  PRO  15           HG2      PRO  15   8.590  -4.191   2.603
   98    HG3  PRO  15           HG3      PRO  15   8.634  -2.561   1.901
   99    HD2  PRO  15           HD2      PRO  15   6.250  -4.223   2.666
  100    HD3  PRO  15           HD3      PRO  15   6.573  -2.506   2.998
  101    H    GLY  16           H        GLY  16   5.187  -5.166   0.707
  102    HA2  GLY  16           HA2      GLY  16   5.126  -6.751  -1.703
  103    HA3  GLY  16           HA3      GLY  16   4.280  -7.097  -0.203
  104    H    CYS  17           H        CYS  17   3.742  -3.943  -1.004
  105    HA   CYS  17           HA       CYS  17   1.107  -4.580  -2.117
  106    HB2  CYS  17           HB2      CYS  17   1.352  -3.222   0.003
  107    HB3  CYS  17           HB3      CYS  17   2.095  -1.963  -0.968
  108    H    ASP  18           H        ASP  18   0.295  -2.715  -3.596
  109    HA   ASP  18           HA       ASP  18   2.445  -2.023  -5.492
  110    HB2  ASP  18           HB2      ASP  18   1.227  -2.697  -7.315
  111    HB3  ASP  18           HB3      ASP  18   0.621  -3.846  -6.128
  112    H    GLY  19           H        GLY  19  -0.060  -0.935  -3.513
  113    HA2  GLY  19           HA2      GLY  19  -0.275   1.343  -2.950
  114    HA3  GLY  19           HA3      GLY  19   0.372   1.771  -4.523
  115    H    SER  20           H        SER  20  -1.846  -0.492  -5.248
  116    HA   SER  20           HA       SER  20  -3.924   1.551  -5.627
  117    HB2  SER  20           HB2      SER  20  -3.882  -1.031  -7.145
  118    HB3  SER  20           HB3      SER  20  -4.506   0.543  -7.639
  119    HG   SER  20           HG       SER  20  -1.897  -0.464  -7.707
  120    H    GLY  21           H        GLY  21  -6.152   0.893  -5.432
  121    HA2  GLY  21           HA2      GLY  21  -7.909  -0.267  -4.486
  122    HA3  GLY  21           HA3      GLY  21  -6.809  -1.592  -4.140
  123    H    HIS  22           H        HIS  22  -8.165  -1.573  -2.160
  124    HA   HIS  22           HA       HIS  22  -6.679  -0.337  -0.029
  125    HB2  HIS  22           HB2      HIS  22  -9.379   0.656  -0.729
  126    HB3  HIS  22           HB3      HIS  22  -9.143   0.266   0.964
  127    HD1  HIS  22           HD1      HIS  22  -8.415   2.162   2.317
  128    HD2  HIS  22           HD2      HIS  22  -7.201   2.580  -1.631
  129    HE1  HIS  22           HE1      HIS  22  -7.332   4.411   2.186
  130    HE2  HIS  22           HE2      HIS  22  -6.809   4.741  -0.254
  131    H    ILE  23           H        ILE  23  -7.280  -1.248   2.069
  132    HA   ILE  23           HA       ILE  23  -8.035  -4.002   1.907
  133    HB   ILE  23           HB       ILE  23  -6.999  -2.211   3.953
  134   HG12  ILE  23          HG12      ILE  23  -5.775  -4.110   3.027
  135   HG13  ILE  23          HG13      ILE  23  -5.971  -4.285   4.767
  136   HG21  ILE  23          HG21      ILE  23  -7.920  -3.475   5.894
  137   HG22  ILE  23          HG22      ILE  23  -9.082  -2.424   5.087
  138   HG23  ILE  23          HG23      ILE  23  -9.123  -4.164   4.805
  139   HD11  ILE  23          HD11      ILE  23  -6.728  -6.324   4.379
  140   HD12  ILE  23          HD12      ILE  23  -8.166  -5.592   3.663
  141   HD13  ILE  23          HD13      ILE  23  -6.798  -6.031   2.640
  142    H    THR  24           H        THR  24  -9.640  -0.997   2.557
  143    HA   THR  24           HA       THR  24 -12.100  -2.191   3.453
  144    HB   THR  24           HB       THR  24 -11.223   0.153   4.055
  145    HG1  THR  24           HG1      THR  24 -13.527  -0.826   4.179
  146   HG21  THR  24          HG21      THR  24 -11.358   1.881   2.593
  147   HG22  THR  24          HG22      THR  24 -12.727   1.185   1.724
  148   HG23  THR  24          HG23      THR  24 -11.094   0.587   1.425
  149    H    GLY  25           H        GLY  25 -10.612  -1.814   0.466
  150    HA2  GLY  25           HA2      GLY  25 -11.298  -2.174  -1.688
  151    HA3  GLY  25           HA3      GLY  25 -12.681  -2.982  -0.971
  152    H    ASN  26           H        ASN  26 -12.295   0.330  -0.169
  153    HA   ASN  26           HA       ASN  26 -14.636   0.922  -1.831
  154    HB2  ASN  26           HB2      ASN  26 -13.672   1.859   0.831
  155    HB3  ASN  26           HB3      ASN  26 -14.648   2.966  -0.129
  156   HD21  ASN  26          HD21      ASN  26 -15.293   1.738   2.387
  157   HD22  ASN  26          HD22      ASN  26 -16.727   0.801   2.131
  158    H    TYR  27           H        TYR  27 -11.429   1.370  -2.080
  159    HA   TYR  27           HA       TYR  27 -11.734   3.967  -3.406
  160    HB2  TYR  27           HB2      TYR  27  -9.450   3.070  -1.644
  161    HB3  TYR  27           HB3      TYR  27  -9.453   4.530  -2.610
  162    HD1  TYR  27           HD2      TYR  27 -10.950   2.866   0.308
  163    HD2  TYR  27           HD1      TYR  27 -10.625   6.495  -1.886
  164    HE1  TYR  27           HE2      TYR  27 -11.997   4.077   2.167
  165    HE2  TYR  27           HE1      TYR  27 -11.667   7.721  -0.026
  166    HH   TYR  27           HH       TYR  27 -13.258   6.162   2.531
  167    H    ALA  28           H        ALA  28 -10.259   4.369  -5.116
  168    HA   ALA  28           HA       ALA  28  -9.684   2.026  -6.668
  169    HB1  ALA  28           HB1      ALA  28 -10.305   4.604  -7.283
  170    HB2  ALA  28           HB2      ALA  28  -8.576   4.560  -7.620
  171    HB3  ALA  28           HB3      ALA  28  -9.659   3.421  -8.419
  172    H    SER  29           H        SER  29  -7.739   4.420  -4.917
  173    HA   SER  29           HA       SER  29  -5.516   2.581  -4.842
  174    HB2  SER  29           HB2      SER  29  -4.253   4.935  -5.709
  175    HB3  SER  29           HB3      SER  29  -4.390   3.419  -6.594
  176    HG   SER  29           HG       SER  29  -5.772   4.317  -7.896
  177    H    HIS  30           H        HIS  30  -3.603   3.651  -3.686
  178    HA   HIS  30           HA       HIS  30  -4.381   5.792  -1.867
  179    HB2  HIS  30           HB2      HIS  30  -3.542   4.516   0.091
  180    HB3  HIS  30           HB3      HIS  30  -4.999   3.822  -0.603
  181    HD1  HIS  30           HD1      HIS  30  -4.660   1.527  -1.962
  182    HD2  HIS  30           HD2      HIS  30  -1.356   2.908   0.164
  183    HE1  HIS  30           HE1      HIS  30  -3.009  -0.392  -1.865
  184    H    ARG  31           H        ARG  31  -2.211   5.833  -0.219
  185    HA   ARG  31           HA       ARG  31   0.173   5.685  -1.897
  186    HB2  ARG  31           HB2      ARG  31  -1.216   8.152  -1.156
  187    HB3  ARG  31           HB3      ARG  31   0.492   8.150  -0.728
  188    HG2  ARG  31           HG2      ARG  31  -0.588   7.519  -3.461
  189    HG3  ARG  31           HG3      ARG  31   0.023   9.096  -2.956
  190    HD2  ARG  31           HD2      ARG  31   1.752   6.707  -2.561
  191    HD3  ARG  31           HD3      ARG  31   1.564   7.348  -4.193
  192    HE   ARG  31           HE       ARG  31   2.944   8.592  -1.963
  193   HH11  ARG  31          HH12      ARG  31   1.541   9.006  -5.150
  194   HH12  ARG  31          HH11      ARG  31   2.448  10.451  -5.503
  195   HH21  ARG  31          HH22      ARG  31   4.146  10.464  -2.415
  196   HH22  ARG  31          HH21      ARG  31   3.944  11.286  -3.941
  197    H    SER  32           H        SER  32  -1.334   5.438   1.080
  198    HA   SER  32           HA       SER  32   1.264   5.247   2.450
  199    HB2  SER  32           HB2      SER  32  -0.887   6.063   4.222
  200    HB3  SER  32           HB3      SER  32   0.673   6.833   3.937
  201    HG   SER  32           HG       SER  32  -1.623   7.109   2.271
  202    H    LEU  33           H        LEU  33   0.950   4.090   4.664
  203    HA   LEU  33           HA       LEU  33  -0.210   1.537   4.157
  204    HB2  LEU  33           HB2      LEU  33   1.560   2.756   6.083
  205    HB3  LEU  33           HB3      LEU  33   0.387   1.728   6.883
  206    HG   LEU  33           HG       LEU  33   2.011   0.755   4.559
  207   HD11  LEU  33          HD11      LEU  33   3.609   1.496   6.201
  208   HD12  LEU  33          HD12      LEU  33   2.720   0.682   7.487
  209   HD13  LEU  33          HD13      LEU  33   3.525  -0.265   6.236
  210   HD21  LEU  33          HD21      LEU  33  -0.116  -0.308   6.029
  211   HD22  LEU  33          HD22      LEU  33   0.921  -1.155   4.880
  212   HD23  LEU  33          HD23      LEU  33   1.324  -1.154   6.598
  213    H    SER  34           H        SER  34  -1.983   3.951   4.403
  214    HA   SER  34           HA       SER  34  -3.606   3.407   6.730
  215    HB2  SER  34           HB2      SER  34  -4.664   5.178   4.635
  216    HB3  SER  34           HB3      SER  34  -4.452   5.480   6.361
  217    HG   SER  34           HG       SER  34  -2.488   6.252   6.007
  218    H    GLY  35           H        GLY  35  -3.408   2.380   3.463
  219    HA2  GLY  35           HA2      GLY  35  -5.896   0.889   3.774
  220    HA3  GLY  35           HA3      GLY  35  -5.842   2.055   2.466
  221    H    CYS  36           H        CYS  36  -3.046   0.196   3.441
  222    HA   CYS  36           HA       CYS  36  -2.635  -0.850   0.833
  223    HB2  CYS  36           HB2      CYS  36  -1.414  -1.372   3.531
  224    HB3  CYS  36           HB3      CYS  36  -1.003  -2.394   2.159
  225    HA   PRO  37           HA       PRO  37  -5.517  -4.283   1.453
  226    HB2  PRO  37           HB2      PRO  37  -5.609  -5.080  -1.115
  227    HB3  PRO  37           HB3      PRO  37  -6.477  -3.645  -0.555
  228    HG2  PRO  37           HG2      PRO  37  -3.892  -3.843  -2.033
  229    HG3  PRO  37           HG3      PRO  37  -5.212  -2.677  -2.234
  230    HD2  PRO  37           HD2      PRO  37  -2.886  -2.177  -0.844
  231    HD3  PRO  37           HD3      PRO  37  -4.418  -1.325  -0.577
  232    H    ARG  38           H        ARG  38  -2.294  -4.139   0.542
  233    HA   ARG  38           HA       ARG  38  -2.001  -7.065   0.644
  234    HB2  ARG  38           HB2      ARG  38   0.137  -5.194  -0.335
  235    HB3  ARG  38           HB3      ARG  38  -0.054  -6.910  -0.656
  236    HG2  ARG  38           HG2      ARG  38  -2.342  -5.821  -1.715
  237    HG3  ARG  38           HG3      ARG  38  -1.110  -4.609  -2.076
  238    HD2  ARG  38           HD2      ARG  38  -0.093  -5.921  -3.572
  239    HD3  ARG  38           HD3      ARG  38  -0.232  -7.349  -2.547
  240    HE   ARG  38           HE       ARG  38  -2.645  -7.365  -3.343
  241   HH11  ARG  38          HH12      ARG  38   0.027  -6.199  -5.284
  242   HH12  ARG  38          HH11      ARG  38  -0.773  -6.509  -6.797
  243   HH21  ARG  38          HH22      ARG  38  -3.682  -7.808  -5.319
  244   HH22  ARG  38          HH21      ARG  38  -2.875  -7.451  -6.820
  245    H    ALA  39           H        ALA  39  -2.421  -5.480   2.923
  246    HA   ALA  39           HA       ALA  39  -0.165  -4.622   4.287
  247    HB1  ALA  39           HB1      ALA  39  -2.702  -4.521   4.897
  248    HB2  ALA  39           HB2      ALA  39  -2.357  -6.027   5.748
  249    HB3  ALA  39           HB3      ALA  39  -1.487  -4.553   6.176
  250    H    LYS  40           H        LYS  40   1.548  -5.638   5.047
  251    HA   LYS  40           HA       LYS  40   1.900  -8.394   4.593
  252    HB2  LYS  40           HB2      LYS  40   4.128  -8.007   5.765
  253    HB3  LYS  40           HB3      LYS  40   3.811  -7.079   4.306
  254    HG2  LYS  40           HG2      LYS  40   3.038  -5.217   5.873
  255    HG3  LYS  40           HG3      LYS  40   3.807  -6.150   7.158
  256    HD2  LYS  40           HD2      LYS  40   5.716  -6.102   5.171
  257    HD3  LYS  40           HD3      LYS  40   4.991  -4.496   5.076
  258    HE2  LYS  40           HE2      LYS  40   5.887  -5.709   7.674
  259    HE3  LYS  40           HE3      LYS  40   6.973  -4.784   6.641
  260    HZ1  LYS  40           HZ1      LYS  40   6.202  -3.154   8.005
  261    HZ2  LYS  40           HZ2      LYS  40   4.680  -3.869   8.207
  262    HZ3  LYS  40           HZ3      LYS  40   5.040  -3.048   6.768
  263    H    LYS  41           H        LYS  41  -0.168  -8.473   6.214
  264    HA   LYS  41           HA       LYS  41  -1.056  -9.410   8.085
  265    HB2  LYS  41           HB2      LYS  41   1.437 -10.964   7.508
  266    HB3  LYS  41           HB3      LYS  41   0.432 -11.400   8.884
  267    HG2  LYS  41           HG2      LYS  41  -0.731 -11.109   6.141
  268    HG3  LYS  41           HG3      LYS  41   0.042 -12.606   6.664
  269    HD2  LYS  41           HD2      LYS  41  -1.594 -13.076   8.200
  270    HD3  LYS  41           HD3      LYS  41  -2.011 -11.376   8.435
  271    HE2  LYS  41           HE2      LYS  41  -2.663 -11.752   5.816
  272    HE3  LYS  41           HE3      LYS  41  -3.041 -13.329   6.507
  273    HZ1  LYS  41           HZ1      LYS  41  -4.426 -12.219   8.163
  274    HZ2  LYS  41           HZ2      LYS  41  -4.954 -11.883   6.585
  275    HZ3  LYS  41           HZ3      LYS  41  -4.084 -10.713   7.455
  276    H    SER  42           H        SER  42   1.623 -10.546   9.726
  277    HA   SER  42           HA       SER  42   1.098  -8.960  12.005
  278    HB2  SER  42           HB2      SER  42   3.636 -10.523  11.600
  279    HB3  SER  42           HB3      SER  42   2.721 -10.266  13.088
  280    HG   SER  42           HG       SER  42   0.988 -11.464  11.756
  281    H    GLY  43           H        GLY  43   1.677  -6.956  12.355
  282    HA2  GLY  43           HA2      GLY  43   2.979  -5.061  12.445
  283    HA3  GLY  43           HA3      GLY  43   4.332  -6.010  11.843
  284    H    LEU  44           H        LEU  44   1.138  -5.322  10.406
  285    HA   LEU  44           HA       LEU  44   2.198  -4.847   7.827
  286    HB2  LEU  44           HB2      LEU  44  -0.102  -3.464   7.698
  287    HB3  LEU  44           HB3      LEU  44  -0.003  -5.203   7.527
  288    HG   LEU  44           HG       LEU  44  -0.317  -4.915  10.239
  289   HD11  LEU  44          HD11      LEU  44  -1.454  -2.564   8.874
  290   HD12  LEU  44          HD12      LEU  44  -2.517  -3.388  10.015
  291   HD13  LEU  44          HD13      LEU  44  -0.953  -2.774  10.552
  292   HD21  LEU  44          HD21      LEU  44  -1.497  -6.564   9.061
  293   HD22  LEU  44          HD22      LEU  44  -2.740  -5.485   9.697
  294   HD23  LEU  44          HD23      LEU  44  -2.264  -5.380   8.001
  295    H    ARG  45           H        ARG  45   1.359  -2.778  10.518
  296    HA   ARG  45           HA       ARG  45   3.096  -0.710   9.356
  297    HB2  ARG  45           HB2      ARG  45   0.844  -0.007  11.227
  298    HB3  ARG  45           HB3      ARG  45   1.788   1.062  10.202
  299    HG2  ARG  45           HG2      ARG  45   0.686   0.234   8.235
  300    HG3  ARG  45           HG3      ARG  45  -0.171  -0.984   9.186
  301    HD2  ARG  45           HD2      ARG  45  -0.457   1.845  10.017
  302    HD3  ARG  45           HD3      ARG  45  -1.263   1.356   8.527
  303    HE   ARG  45           HE       ARG  45  -1.728   0.118  11.167
  304   HH11  ARG  45          HH12      ARG  45  -2.804   1.011   7.958
  305   HH12  ARG  45          HH11      ARG  45  -4.464   0.566   8.246
  306   HH21  ARG  45          HH22      ARG  45  -3.877  -0.540  11.537
  307   HH22  ARG  45          HH21      ARG  45  -5.070  -0.339  10.290
  308    H    VAL  46           H        VAL  46   1.456  -0.861  12.462
  309    HA   VAL  46           HA       VAL  46   3.862  -1.812  13.786
  310    HB   VAL  46           HB       VAL  46   2.925   0.187  15.526
  311   HG11  VAL  46          HG11      VAL  46   5.119   0.085  15.818
  312   HG12  VAL  46          HG12      VAL  46   5.368  -0.614  14.218
  313   HG13  VAL  46          HG13      VAL  46   5.284   1.137  14.414
  314   HG21  VAL  46          HG21      VAL  46   3.578   2.192  13.957
  315   HG22  VAL  46          HG22      VAL  46   2.969   1.117  12.696
  316   HG23  VAL  46          HG23      VAL  46   1.919   1.599  14.029
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  10.731  13.383   1.521
    2    H2   GLY   1           H2       GLY   1  10.065  11.830   1.380
    3    H3   GLY   1           H3       GLY   1  11.654  12.024   1.932
    4    HA2  GLY   1           HA3      GLY   1   9.632  11.626   3.567
    5    HA3  GLY   1           HA2      GLY   1  11.044  12.574   4.013
    6    H    SER   2           H        SER   2   8.403  13.444   1.803
    7    HA   SER   2           HA       SER   2   8.051  15.920   3.281
    8    HB2  SER   2           HB2      SER   2   6.324  15.221   0.948
    9    HB3  SER   2           HB3      SER   2   7.046  16.767   1.388
   10    HG   SER   2           HG       SER   2   7.930  15.523  -0.503
   11    H    MET   3           H        MET   3   5.850  13.378   2.054
   12    HA   MET   3           HA       MET   3   3.841  14.204   3.975
   13    HB2  MET   3           HB2      MET   3   3.424  13.443   1.547
   14    HB3  MET   3           HB3      MET   3   3.635  11.811   2.167
   15    HG2  MET   3           HG2      MET   3   1.445  11.867   2.547
   16    HG3  MET   3           HG3      MET   3   1.854  12.859   3.944
   17    HE1  MET   3           HE1      MET   3   1.156  15.716   3.966
   18    HE2  MET   3           HE2      MET   3  -0.529  15.502   3.493
   19    HE3  MET   3           HE3      MET   3   0.278  14.271   4.462
   20    H    ALA   4           H        ALA   4   5.477  11.130   3.205
   21    HA   ALA   4           HA       ALA   4   5.144  10.377   6.039
   22    HB1  ALA   4           HB1      ALA   4   3.937   9.136   3.865
   23    HB2  ALA   4           HB2      ALA   4   5.307   8.097   4.261
   24    HB3  ALA   4           HB3      ALA   4   4.105   8.479   5.494
   25    H    ALA   5           H        ALA   5   6.651   8.313   6.410
   26    HA   ALA   5           HA       ALA   5   9.344   9.205   5.957
   27    HB1  ALA   5           HB1      ALA   5   9.982   7.610   7.474
   28    HB2  ALA   5           HB2      ALA   5   8.298   7.828   7.951
   29    HB3  ALA   5           HB3      ALA   5   8.758   6.457   6.941
   30    H    HIS   6           H        HIS   6   9.345   9.238   3.671
   31    HA   HIS   6           HA       HIS   6  10.129   6.731   2.438
   32    HB2  HIS   6           HB2      HIS   6   7.452   7.650   2.249
   33    HB3  HIS   6           HB3      HIS   6   8.205   7.969   0.690
   34    HD1  HIS   6           HD1      HIS   6   9.609   5.005   2.324
   35    HD2  HIS   6           HD2      HIS   6   6.408   5.871  -0.192
   36    HE1  HIS   6           HE1      HIS   6   8.842   2.791   1.406
   37    HE2  HIS   6           HE2      HIS   6   6.818   3.330   0.003
   38    H    SER   7           H        SER   7  11.476   7.067   0.702
   39    HA   SER   7           HA       SER   7  12.584   9.675   0.367
   40    HB2  SER   7           HB2      SER   7  13.169   7.687  -1.722
   41    HB3  SER   7           HB3      SER   7  14.272   8.575  -0.670
   42    HG   SER   7           HG       SER   7  13.582   7.091   1.033
   43    H    ALA   8           H        ALA   8  10.294   7.669  -1.352
   44    HA   ALA   8           HA       ALA   8   9.512  10.011  -2.932
   45    HB1  ALA   8           HB1      ALA   8  10.554   8.943  -4.672
   46    HB2  ALA   8           HB2      ALA   8  10.293   7.339  -3.988
   47    HB3  ALA   8           HB3      ALA   8   8.961   8.193  -4.771
   48    H    ASP   9           H        ASP   9   7.278  10.027  -3.505
   49    HA   ASP   9           HA       ASP   9   5.649   8.200  -1.856
   50    HB2  ASP   9           HB2      ASP   9   5.800  10.773  -1.361
   51    HB3  ASP   9           HB3      ASP   9   4.710  10.918  -2.734
   52    H    LEU  10           H        LEU  10   6.447   7.503  -4.423
   53    HA   LEU  10           HA       LEU  10   4.110   7.899  -6.138
   54    HB2  LEU  10           HB2      LEU  10   6.603   6.246  -6.579
   55    HB3  LEU  10           HB3      LEU  10   5.326   6.493  -7.756
   56    HG   LEU  10           HG       LEU  10   7.031   8.711  -6.629
   57   HD11  LEU  10          HD11      LEU  10   7.565   6.753  -8.702
   58   HD12  LEU  10          HD12      LEU  10   7.647   8.412  -9.297
   59   HD13  LEU  10          HD13      LEU  10   8.647   7.913  -7.933
   60   HD21  LEU  10          HD21      LEU  10   4.602   8.940  -7.771
   61   HD22  LEU  10          HD22      LEU  10   5.872  10.153  -7.919
   62   HD23  LEU  10          HD23      LEU  10   5.625   8.972  -9.207
   63    H    LYS  11           H        LYS  11   5.507   5.743  -3.893
   64    HA   LYS  11           HA       LYS  11   3.232   3.950  -4.169
   65    HB2  LYS  11           HB2      LYS  11   6.139   3.307  -4.036
   66    HB3  LYS  11           HB3      LYS  11   5.040   2.267  -3.137
   67    HG2  LYS  11           HG2      LYS  11   4.797   2.887  -6.069
   68    HG3  LYS  11           HG3      LYS  11   5.541   1.435  -5.399
   69    HD2  LYS  11           HD2      LYS  11   3.121   1.503  -4.120
   70    HD3  LYS  11           HD3      LYS  11   2.722   2.128  -5.722
   71    HE2  LYS  11           HE2      LYS  11   2.463  -0.125  -6.063
   72    HE3  LYS  11           HE3      LYS  11   4.146   0.092  -6.541
   73    HZ1  LYS  11           HZ1      LYS  11   4.882  -1.098  -4.802
   74    HZ2  LYS  11           HZ2      LYS  11   3.321  -1.748  -4.797
   75    HZ3  LYS  11           HZ3      LYS  11   3.715  -0.490  -3.730
   76    H    CYS  12           H        CYS  12   3.155   2.611  -2.090
   77    HA   CYS  12           HA       CYS  12   3.091   4.445   0.154
   78    HB2  CYS  12           HB2      CYS  12   1.659   2.790   1.188
   79    HB3  CYS  12           HB3      CYS  12   1.123   3.016  -0.474
   80    HA   PRO  13           HA       PRO  13   6.433   2.686   2.507
   81    HB2  PRO  13           HB2      PRO  13   5.272   1.716   4.804
   82    HB3  PRO  13           HB3      PRO  13   5.604   3.422   4.506
   83    HG2  PRO  13           HG2      PRO  13   3.048   1.912   4.155
   84    HG3  PRO  13           HG3      PRO  13   3.315   3.509   4.883
   85    HD2  PRO  13           HD2      PRO  13   2.394   3.281   2.394
   86    HD3  PRO  13           HD3      PRO  13   3.571   4.544   2.816
   87    H    THR  14           H        THR  14   3.671   0.641   2.002
   88    HA   THR  14           HA       THR  14   4.915  -1.789   2.859
   89    HB   THR  14           HB       THR  14   2.372  -1.330   1.295
   90    HG1  THR  14           HG1      THR  14   1.486  -1.005   3.203
   91   HG21  THR  14          HG21      THR  14   3.173  -3.597   0.945
   92   HG22  THR  14          HG22      THR  14   1.771  -3.612   2.016
   93   HG23  THR  14          HG23      THR  14   3.392  -3.810   2.682
   94    HA   PRO  15           HA       PRO  15   7.184  -2.284  -1.005
   95    HB2  PRO  15           HB2      PRO  15   8.072  -4.755   0.361
   96    HB3  PRO  15           HB3      PRO  15   9.032  -3.438  -0.313
   97    HG2  PRO  15           HG2      PRO  15   8.808  -3.722   2.310
   98    HG3  PRO  15           HG3      PRO  15   8.776  -2.108   1.571
   99    HD2  PRO  15           HD2      PRO  15   6.478  -3.787   2.532
  100    HD3  PRO  15           HD3      PRO  15   6.789  -2.056   2.793
  101    H    GLY  16           H        GLY  16   5.221  -4.736   0.598
  102    HA2  GLY  16           HA2      GLY  16   5.171  -6.419  -1.745
  103    HA3  GLY  16           HA3      GLY  16   4.362  -6.734  -0.221
  104    H    CYS  17           H        CYS  17   3.606  -3.641  -1.086
  105    HA   CYS  17           HA       CYS  17   0.926  -4.369  -1.778
  106    HB2  CYS  17           HB2      CYS  17   2.355  -2.008  -0.929
  107    HB3  CYS  17           HB3      CYS  17   1.261  -1.637  -2.255
  108    H    ASP  18           H        ASP  18  -0.219  -3.450  -3.598
  109    HA   ASP  18           HA       ASP  18   1.359  -3.481  -6.071
  110    HB2  ASP  18           HB2      ASP  18  -0.585  -4.032  -7.226
  111    HB3  ASP  18           HB3      ASP  18  -0.837  -4.850  -5.687
  112    H    GLY  19           H        GLY  19  -0.659  -1.478  -4.036
  113    HA2  GLY  19           HA2      GLY  19  -0.288   0.849  -3.844
  114    HA3  GLY  19           HA3      GLY  19   0.346   0.860  -5.480
  115    H    SER  20           H        SER  20  -2.223  -0.838  -6.130
  116    HA   SER  20           HA       SER  20  -3.914   1.555  -6.444
  117    HB2  SER  20           HB2      SER  20  -4.670  -0.337  -8.374
  118    HB3  SER  20           HB3      SER  20  -3.745   1.141  -8.640
  119    HG   SER  20           HG       SER  20  -2.679  -1.414  -7.963
  120    H    GLY  21           H        GLY  21  -4.872   0.985  -4.362
  121    HA2  GLY  21           HA2      GLY  21  -7.387   0.066  -4.465
  122    HA3  GLY  21           HA3      GLY  21  -6.473  -1.416  -4.226
  123    H    HIS  22           H        HIS  22  -7.964  -1.314  -2.316
  124    HA   HIS  22           HA       HIS  22  -6.423  -0.431  -0.013
  125    HB2  HIS  22           HB2      HIS  22  -9.110   0.642  -0.704
  126    HB3  HIS  22           HB3      HIS  22  -8.880   0.143   0.962
  127    HD1  HIS  22           HD1      HIS  22  -8.482   2.137   2.327
  128    HD2  HIS  22           HD2      HIS  22  -6.572   2.424  -1.354
  129    HE1  HIS  22           HE1      HIS  22  -7.360   4.374   2.324
  130    HE2  HIS  22           HE2      HIS  22  -6.398   4.620   0.008
  131    H    ILE  23           H        ILE  23  -7.644  -1.337   2.022
  132    HA   ILE  23           HA       ILE  23  -8.348  -4.106   1.448
  133    HB   ILE  23           HB       ILE  23  -7.468  -2.607   3.829
  134   HG12  ILE  23          HG12      ILE  23  -5.969  -4.170   2.838
  135   HG13  ILE  23          HG13      ILE  23  -6.501  -4.878   4.360
  136   HG21  ILE  23          HG21      ILE  23  -9.206  -4.997   4.338
  137   HG22  ILE  23          HG22      ILE  23  -8.563  -3.828   5.494
  138   HG23  ILE  23          HG23      ILE  23  -9.842  -3.349   4.377
  139   HD11  ILE  23          HD11      ILE  23  -6.924  -5.781   1.599
  140   HD12  ILE  23          HD12      ILE  23  -6.791  -6.704   3.097
  141   HD13  ILE  23          HD13      ILE  23  -8.319  -5.932   2.671
  142    H    THR  24           H        THR  24  -9.750  -1.102   2.571
  143    HA   THR  24           HA       THR  24 -12.247  -1.999   3.398
  144    HB   THR  24           HB       THR  24 -11.516   0.252   3.892
  145    HG1  THR  24           HG1      THR  24 -13.666   0.324   3.965
  146   HG21  THR  24          HG21      THR  24 -10.381   1.312   2.276
  147   HG22  THR  24          HG22      THR  24 -11.970   1.815   1.698
  148   HG23  THR  24          HG23      THR  24 -11.180   0.405   0.991
  149    H    GLY  25           H        GLY  25 -11.098  -1.287   0.136
  150    HA2  GLY  25           HA2      GLY  25 -12.015  -2.085  -1.855
  151    HA3  GLY  25           HA3      GLY  25 -13.419  -2.643  -0.958
  152    H    ASN  26           H        ASN  26 -12.585   0.525  -0.206
  153    HA   ASN  26           HA       ASN  26 -14.811   1.519  -1.826
  154    HB2  ASN  26           HB2      ASN  26 -13.678   2.249   0.841
  155    HB3  ASN  26           HB3      ASN  26 -14.528   3.486  -0.081
  156   HD21  ASN  26          HD21      ASN  26 -14.787   0.697   1.851
  157   HD22  ASN  26          HD22      ASN  26 -16.510   0.553   1.821
  158    H    TYR  27           H        TYR  27 -11.544   1.470  -2.027
  159    HA   TYR  27           HA       TYR  27 -11.438   4.157  -3.226
  160    HB2  TYR  27           HB2      TYR  27  -9.429   2.734  -1.493
  161    HB3  TYR  27           HB3      TYR  27  -8.964   4.057  -2.550
  162    HD1  TYR  27           HD2      TYR  27 -11.178   3.176   0.303
  163    HD2  TYR  27           HD1      TYR  27  -9.286   6.294  -1.896
  164    HE1  TYR  27           HE2      TYR  27 -11.852   4.796   2.022
  165    HE2  TYR  27           HE1      TYR  27  -9.950   7.917  -0.175
  166    HH   TYR  27           HH       TYR  27 -12.037   7.914   1.666
  167    H    ALA  28           H        ALA  28  -9.590   4.396  -4.792
  168    HA   ALA  28           HA       ALA  28  -9.438   1.976  -6.458
  169    HB1  ALA  28           HB1      ALA  28  -8.925   3.535  -8.311
  170    HB2  ALA  28           HB2      ALA  28 -10.496   3.835  -7.567
  171    HB3  ALA  28           HB3      ALA  28  -9.128   4.884  -7.193
  172    H    SER  29           H        SER  29  -7.565   4.208  -4.616
  173    HA   SER  29           HA       SER  29  -5.166   2.669  -5.086
  174    HB2  SER  29           HB2      SER  29  -3.887   4.815  -5.677
  175    HB3  SER  29           HB3      SER  29  -4.872   4.094  -6.945
  176    HG   SER  29           HG       SER  29  -6.495   5.700  -5.720
  177    H    HIS  30           H        HIS  30  -3.268   3.888  -3.828
  178    HA   HIS  30           HA       HIS  30  -4.094   5.514  -1.626
  179    HB2  HIS  30           HB2      HIS  30  -3.748   4.001   0.180
  180    HB3  HIS  30           HB3      HIS  30  -4.824   3.185  -0.941
  181    HD1  HIS  30           HD1      HIS  30  -3.527   1.398  -2.593
  182    HD2  HIS  30           HD2      HIS  30  -1.619   2.529   0.925
  183    HE1  HIS  30           HE1      HIS  30  -1.727  -0.333  -2.164
  184    H    ARG  31           H        ARG  31  -2.168   5.802  -0.056
  185    HA   ARG  31           HA       ARG  31   0.410   5.273  -1.322
  186    HB2  ARG  31           HB2      ARG  31   0.973   7.779  -0.845
  187    HB3  ARG  31           HB3      ARG  31   0.151   7.333  -2.331
  188    HG2  ARG  31           HG2      ARG  31  -2.016   7.859  -1.109
  189    HG3  ARG  31           HG3      ARG  31  -1.003   8.610   0.125
  190    HD2  ARG  31           HD2      ARG  31  -0.821   9.336  -2.786
  191    HD3  ARG  31           HD3      ARG  31  -1.925  10.142  -1.671
  192    HE   ARG  31           HE       ARG  31   1.027  10.146  -1.429
  193   HH11  ARG  31          HH12      ARG  31  -2.105  11.633  -0.874
  194   HH12  ARG  31          HH11      ARG  31  -1.430  13.070  -0.162
  195   HH21  ARG  31          HH22      ARG  31   1.902  12.022  -0.523
  196   HH22  ARG  31          HH21      ARG  31   0.854  13.298   0.030
  197    H    SER  32           H        SER  32  -1.226   4.792   1.272
  198    HA   SER  32           HA       SER  32   1.069   5.035   3.025
  199    HB2  SER  32           HB2      SER  32  -1.025   5.853   4.691
  200    HB3  SER  32           HB3      SER  32   0.296   6.859   4.096
  201    HG   SER  32           HG       SER  32  -1.046   7.843   2.801
  202    H    LEU  33           H        LEU  33   0.609   3.915   5.162
  203    HA   LEU  33           HA       LEU  33  -0.497   1.345   4.600
  204    HB2  LEU  33           HB2      LEU  33   1.126   2.596   6.672
  205    HB3  LEU  33           HB3      LEU  33  -0.006   1.424   7.318
  206    HG   LEU  33           HG       LEU  33   1.721   0.663   5.005
  207   HD11  LEU  33          HD11      LEU  33   2.962  -0.196   7.391
  208   HD12  LEU  33          HD12      LEU  33   3.607   0.881   6.152
  209   HD13  LEU  33          HD13      LEU  33   2.719   1.546   7.524
  210   HD21  LEU  33          HD21      LEU  33  -0.230  -0.649   6.331
  211   HD22  LEU  33          HD22      LEU  33   1.120  -1.446   5.525
  212   HD23  LEU  33          HD23      LEU  33   1.182  -1.147   7.261
  213    H    SER  34           H        SER  34  -2.221   3.906   4.988
  214    HA   SER  34           HA       SER  34  -3.940   3.228   7.187
  215    HB2  SER  34           HB2      SER  34  -5.087   5.034   5.233
  216    HB3  SER  34           HB3      SER  34  -4.662   5.338   6.919
  217    HG   SER  34           HG       SER  34  -3.487   6.455   5.011
  218    H    GLY  35           H        GLY  35  -3.659   2.323   3.905
  219    HA2  GLY  35           HA2      GLY  35  -6.087   0.732   4.126
  220    HA3  GLY  35           HA3      GLY  35  -6.064   1.933   2.843
  221    H    CYS  36           H        CYS  36  -3.317   0.078   3.976
  222    HA   CYS  36           HA       CYS  36  -2.579  -0.704   1.354
  223    HB2  CYS  36           HB2      CYS  36  -1.625  -1.299   4.127
  224    HB3  CYS  36           HB3      CYS  36  -1.030  -2.279   2.787
  225    HA   PRO  37           HA       PRO  37  -5.320  -4.286   1.301
  226    HB2  PRO  37           HB2      PRO  37  -4.931  -4.905  -1.309
  227    HB3  PRO  37           HB3      PRO  37  -5.997  -3.598  -0.788
  228    HG2  PRO  37           HG2      PRO  37  -3.227  -3.463  -1.876
  229    HG3  PRO  37           HG3      PRO  37  -4.601  -2.376  -2.152
  230    HD2  PRO  37           HD2      PRO  37  -2.532  -1.845  -0.421
  231    HD3  PRO  37           HD3      PRO  37  -4.155  -1.148  -0.283
  232    H    ARG  38           H        ARG  38  -1.954  -4.050   0.656
  233    HA   ARG  38           HA       ARG  38  -1.685  -6.947   1.098
  234    HB2  ARG  38           HB2      ARG  38  -0.365  -5.214  -0.938
  235    HB3  ARG  38           HB3      ARG  38   0.579  -6.510  -0.222
  236    HG2  ARG  38           HG2      ARG  38  -0.332  -7.932  -1.645
  237    HG3  ARG  38           HG3      ARG  38  -1.922  -7.596  -0.950
  238    HD2  ARG  38           HD2      ARG  38  -1.140  -5.433  -2.638
  239    HD3  ARG  38           HD3      ARG  38  -0.974  -6.948  -3.521
  240    HE   ARG  38           HE       ARG  38  -3.477  -6.494  -2.091
  241   HH11  ARG  38          HH12      ARG  38  -1.755  -6.596  -5.139
  242   HH12  ARG  38          HH11      ARG  38  -3.209  -6.657  -6.093
  243   HH21  ARG  38          HH22      ARG  38  -5.386  -6.576  -3.336
  244   HH22  ARG  38          HH21      ARG  38  -5.276  -6.604  -5.073
  245    H    ALA  39           H        ALA  39  -1.750  -4.762   2.968
  246    HA   ALA  39           HA       ALA  39   0.676  -3.762   3.795
  247    HB1  ALA  39           HB1      ALA  39  -0.563  -2.865   5.402
  248    HB2  ALA  39           HB2      ALA  39  -1.930  -3.770   4.752
  249    HB3  ALA  39           HB3      ALA  39  -0.969  -4.449   6.064
  250    H    LYS  40           H        LYS  40   2.470  -4.674   4.433
  251    HA   LYS  40           HA       LYS  40   3.995  -6.111   5.279
  252    HB2  LYS  40           HB2      LYS  40   1.736  -6.652   7.210
  253    HB3  LYS  40           HB3      LYS  40   3.392  -7.194   7.442
  254    HG2  LYS  40           HG2      LYS  40   2.781  -4.295   7.030
  255    HG3  LYS  40           HG3      LYS  40   2.605  -5.044   8.618
  256    HD2  LYS  40           HD2      LYS  40   4.945  -5.768   8.531
  257    HD3  LYS  40           HD3      LYS  40   5.119  -5.015   6.945
  258    HE2  LYS  40           HE2      LYS  40   4.661  -3.684   9.600
  259    HE3  LYS  40           HE3      LYS  40   6.024  -3.485   8.500
  260    HZ1  LYS  40           HZ1      LYS  40   4.854  -1.630   7.986
  261    HZ2  LYS  40           HZ2      LYS  40   3.353  -2.308   8.392
  262    HZ3  LYS  40           HZ3      LYS  40   4.086  -2.694   6.909
  263    H    LYS  41           H        LYS  41   1.641  -8.360   6.454
  264    HA   LYS  41           HA       LYS  41   1.366  -9.950   4.147
  265    HB2  LYS  41           HB2      LYS  41   3.860 -10.273   5.387
  266    HB3  LYS  41           HB3      LYS  41   2.913 -11.659   5.908
  267    HG2  LYS  41           HG2      LYS  41   3.435 -12.634   3.991
  268    HG3  LYS  41           HG3      LYS  41   2.417 -11.444   3.178
  269    HD2  LYS  41           HD2      LYS  41   4.676 -10.004   3.496
  270    HD3  LYS  41           HD3      LYS  41   5.358 -11.625   3.350
  271    HE2  LYS  41           HE2      LYS  41   4.682 -11.865   1.189
  272    HE3  LYS  41           HE3      LYS  41   3.258 -10.848   1.409
  273    HZ1  LYS  41           HZ1      LYS  41   5.900 -10.140   0.523
  274    HZ2  LYS  41           HZ2      LYS  41   5.312  -9.108   1.734
  275    HZ3  LYS  41           HZ3      LYS  41   4.426  -9.329   0.303
  276    H    SER  42           H        SER  42   1.951 -11.997   6.755
  277    HA   SER  42           HA       SER  42  -0.906 -12.145   7.355
  278    HB2  SER  42           HB2      SER  42   0.618 -14.112   8.767
  279    HB3  SER  42           HB3      SER  42  -0.522 -14.351   7.442
  280    HG   SER  42           HG       SER  42   1.078 -14.457   6.041
  281    H    GLY  43           H        GLY  43  -0.025  -9.887   8.342
  282    HA2  GLY  43           HA2      GLY  43  -0.643  -9.443  10.836
  283    HA3  GLY  43           HA3      GLY  43   0.857 -10.324  11.103
  284    H    LEU  44           H        LEU  44  -0.231  -7.380  11.272
  285    HA   LEU  44           HA       LEU  44   1.614  -5.983   9.554
  286    HB2  LEU  44           HB2      LEU  44   0.043  -4.703  11.762
  287    HB3  LEU  44           HB3      LEU  44   0.537  -4.018  10.225
  288    HG   LEU  44           HG       LEU  44  -1.429  -6.281  10.319
  289   HD11  LEU  44          HD11      LEU  44  -2.571  -4.834  11.710
  290   HD12  LEU  44          HD12      LEU  44  -1.917  -3.395  10.926
  291   HD13  LEU  44          HD13      LEU  44  -3.151  -4.359  10.113
  292   HD21  LEU  44          HD21      LEU  44  -1.382  -5.998   8.128
  293   HD22  LEU  44          HD22      LEU  44  -1.964  -4.346   8.335
  294   HD23  LEU  44          HD23      LEU  44  -0.233  -4.673   8.303
  295    H    ARG  45           H        ARG  45   1.529  -6.997  12.868
  296    HA   ARG  45           HA       ARG  45   3.742  -5.265  13.621
  297    HB2  ARG  45           HB2      ARG  45   3.447  -6.156  15.857
  298    HB3  ARG  45           HB3      ARG  45   1.885  -5.688  15.201
  299    HG2  ARG  45           HG2      ARG  45   1.607  -8.136  14.554
  300    HG3  ARG  45           HG3      ARG  45   2.988  -8.445  15.608
  301    HD2  ARG  45           HD2      ARG  45   1.838  -7.695  17.513
  302    HD3  ARG  45           HD3      ARG  45   0.580  -6.919  16.553
  303    HE   ARG  45           HE       ARG  45  -0.435  -8.992  16.219
  304   HH11  ARG  45          HH12      ARG  45   2.554  -9.318  18.029
  305   HH12  ARG  45          HH11      ARG  45   2.194 -10.938  18.561
  306   HH21  ARG  45          HH22      ARG  45  -0.888 -11.136  16.924
  307   HH22  ARG  45          HH21      ARG  45   0.261 -11.955  17.938
  308    H    VAL  46           H        VAL  46   3.843  -7.667  11.683
  309    HA   VAL  46           HA       VAL  46   6.105  -9.042  12.978
  310    HB   VAL  46           HB       VAL  46   4.822 -10.293  10.610
  311   HG11  VAL  46          HG11      VAL  46   6.782 -11.020  12.341
  312   HG12  VAL  46          HG12      VAL  46   5.385 -11.841  13.036
  313   HG13  VAL  46          HG13      VAL  46   5.843 -12.144  11.360
  314   HG21  VAL  46          HG21      VAL  46   3.024  -9.444  12.333
  315   HG22  VAL  46          HG22      VAL  46   2.913 -11.056  11.624
  316   HG23  VAL  46          HG23      VAL  46   3.562 -10.852  13.253
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1   9.021  21.523  -9.636
    2    H2   GLY   1           H2       GLY   1   7.501  20.960  -9.136
    3    H3   GLY   1           H3       GLY   1   7.735  21.450 -10.741
    4    HA2  GLY   1           HA3      GLY   1   7.848  18.904  -9.886
    5    HA3  GLY   1           HA2      GLY   1   8.593  19.503 -11.364
    6    H    SER   2           H        SER   2  10.500  18.550 -11.536
    7    HA   SER   2           HA       SER   2  12.593  17.807 -11.085
    8    HB2  SER   2           HB2      SER   2  12.657  19.998  -9.003
    9    HB3  SER   2           HB3      SER   2  14.036  19.274  -9.829
   10    HG   SER   2           HG       SER   2  11.942  20.704 -11.133
   11    H    MET   3           H        MET   3  11.037  16.046 -10.056
   12    HA   MET   3           HA       MET   3  11.945  15.634  -7.278
   13    HB2  MET   3           HB2      MET   3   9.341  15.747  -8.236
   14    HB3  MET   3           HB3      MET   3   9.658  14.025  -8.071
   15    HG2  MET   3           HG2      MET   3   9.733  14.115  -5.823
   16    HG3  MET   3           HG3      MET   3  10.482  15.710  -5.801
   17    HE1  MET   3           HE1      MET   3   8.976  17.507  -7.322
   18    HE2  MET   3           HE2      MET   3   7.404  17.971  -6.673
   19    HE3  MET   3           HE3      MET   3   8.848  18.103  -5.666
   20    H    ALA   4           H        ALA   4  13.012  14.860 -10.032
   21    HA   ALA   4           HA       ALA   4  14.158  13.158 -10.975
   22    HB1  ALA   4           HB1      ALA   4  15.650  12.508  -9.479
   23    HB2  ALA   4           HB2      ALA   4  14.562  12.962  -8.169
   24    HB3  ALA   4           HB3      ALA   4  14.500  11.332  -8.844
   25    H    ALA   5           H        ALA   5  13.218  10.625  -8.870
   26    HA   ALA   5           HA       ALA   5  11.482   9.560 -10.994
   27    HB1  ALA   5           HB1      ALA   5  12.803   7.976  -8.804
   28    HB2  ALA   5           HB2      ALA   5  12.084   7.375 -10.299
   29    HB3  ALA   5           HB3      ALA   5  13.577   8.312 -10.353
   30    H    HIS   6           H        HIS   6  11.706  10.123  -7.529
   31    HA   HIS   6           HA       HIS   6   9.067   9.014  -7.059
   32    HB2  HIS   6           HB2      HIS   6  10.989   8.811  -5.417
   33    HB3  HIS   6           HB3      HIS   6  10.793  10.530  -5.094
   34    HD1  HIS   6           HD1      HIS   6   9.614  10.824  -2.946
   35    HD2  HIS   6           HD2      HIS   6   8.097   7.601  -5.107
   36    HE1  HIS   6           HE1      HIS   6   7.699   9.928  -1.586
   37    HE2  HIS   6           HE2      HIS   6   6.844   7.928  -2.859
   38    H    SER   7           H        SER   7   8.390  10.715  -8.776
   39    HA   SER   7           HA       SER   7   8.047  13.407  -7.873
   40    HB2  SER   7           HB2      SER   7   6.132  12.784  -9.885
   41    HB3  SER   7           HB3      SER   7   7.644  13.677 -10.066
   42    HG   SER   7           HG       SER   7   7.154  10.909 -10.411
   43    H    ALA   8           H        ALA   8   5.948  10.562  -8.110
   44    HA   ALA   8           HA       ALA   8   4.162  11.828  -6.141
   45    HB1  ALA   8           HB1      ALA   8   2.258  10.856  -7.143
   46    HB2  ALA   8           HB2      ALA   8   3.176  11.583  -8.459
   47    HB3  ALA   8           HB3      ALA   8   3.237   9.840  -8.201
   48    H    ASP   9           H        ASP   9   3.301  10.457  -4.559
   49    HA   ASP   9           HA       ASP   9   4.971   8.141  -3.954
   50    HB2  ASP   9           HB2      ASP   9   4.040  10.069  -2.351
   51    HB3  ASP   9           HB3      ASP   9   2.699   8.937  -2.203
   52    H    LEU  10           H        LEU  10   4.055   7.097  -5.886
   53    HA   LEU  10           HA       LEU  10   1.355   6.113  -5.728
   54    HB2  LEU  10           HB2      LEU  10   3.575   5.139  -7.516
   55    HB3  LEU  10           HB3      LEU  10   1.849   4.938  -7.759
   56    HG   LEU  10           HG       LEU  10   2.664   7.740  -7.570
   57   HD11  LEU  10          HD11      LEU  10   4.354   6.034  -9.060
   58   HD12  LEU  10          HD12      LEU  10   3.374   6.948 -10.206
   59   HD13  LEU  10          HD13      LEU  10   4.346   7.798  -9.005
   60   HD21  LEU  10          HD21      LEU  10   0.543   7.528  -8.364
   61   HD22  LEU  10          HD22      LEU  10   1.414   7.532  -9.896
   62   HD23  LEU  10          HD23      LEU  10   0.883   6.006  -9.189
   63    H    LYS  11           H        LYS  11   4.489   5.122  -4.715
   64    HA   LYS  11           HA       LYS  11   3.419   2.495  -4.005
   65    HB2  LYS  11           HB2      LYS  11   6.016   3.368  -4.987
   66    HB3  LYS  11           HB3      LYS  11   6.126   2.339  -3.563
   67    HG2  LYS  11           HG2      LYS  11   4.774   1.705  -6.169
   68    HG3  LYS  11           HG3      LYS  11   6.226   0.968  -5.506
   69    HD2  LYS  11           HD2      LYS  11   3.453   0.794  -4.330
   70    HD3  LYS  11           HD3      LYS  11   4.280  -0.484  -5.218
   71    HE2  LYS  11           HE2      LYS  11   5.290  -1.176  -3.363
   72    HE3  LYS  11           HE3      LYS  11   5.955   0.434  -3.085
   73    HZ1  LYS  11           HZ1      LYS  11   4.123  -0.826  -1.522
   74    HZ2  LYS  11           HZ2      LYS  11   3.170   0.248  -2.413
   75    HZ3  LYS  11           HZ3      LYS  11   4.467   0.830  -1.494
   76    H    CYS  12           H        CYS  12   2.563   2.668  -2.165
   77    HA   CYS  12           HA       CYS  12   3.162   4.184   0.064
   78    HB2  CYS  12           HB2      CYS  12   1.936   2.074   1.120
   79    HB3  CYS  12           HB3      CYS  12   1.087   3.187   0.056
   80    HA   PRO  13           HA       PRO  13   6.513   2.440   2.365
   81    HB2  PRO  13           HB2      PRO  13   5.314   1.463   4.675
   82    HB3  PRO  13           HB3      PRO  13   5.830   3.128   4.412
   83    HG2  PRO  13           HG2      PRO  13   3.122   1.916   4.129
   84    HG3  PRO  13           HG3      PRO  13   3.583   3.499   4.784
   85    HD2  PRO  13           HD2      PRO  13   2.548   3.276   2.335
   86    HD3  PRO  13           HD3      PRO  13   3.865   4.423   2.662
   87    H    THR  14           H        THR  14   3.687   0.303   2.295
   88    HA   THR  14           HA       THR  14   5.096  -2.073   2.931
   89    HB   THR  14           HB       THR  14   2.544  -1.977   1.341
   90    HG1  THR  14           HG1      THR  14   1.567  -1.098   3.002
   91   HG21  THR  14          HG21      THR  14   2.256  -4.132   1.972
   92   HG22  THR  14          HG22      THR  14   2.934  -3.858   3.577
   93   HG23  THR  14          HG23      THR  14   4.006  -4.096   2.198
   94    HA   PRO  15           HA       PRO  15   7.085  -2.383  -1.111
   95    HB2  PRO  15           HB2      PRO  15   8.215  -4.828   0.099
   96    HB3  PRO  15           HB3      PRO  15   9.040  -3.432  -0.595
   97    HG2  PRO  15           HG2      PRO  15   9.037  -3.822   2.028
   98    HG3  PRO  15           HG3      PRO  15   8.865  -2.190   1.352
   99    HD2  PRO  15           HD2      PRO  15   6.738  -4.026   2.415
  100    HD3  PRO  15           HD3      PRO  15   6.974  -2.290   2.724
  101    H    GLY  16           H        GLY  16   5.307  -4.855   0.581
  102    HA2  GLY  16           HA2      GLY  16   5.134  -6.605  -1.702
  103    HA3  GLY  16           HA3      GLY  16   4.341  -6.832  -0.152
  104    H    CYS  17           H        CYS  17   3.542  -3.843  -0.712
  105    HA   CYS  17           HA       CYS  17   0.994  -4.543  -1.939
  106    HB2  CYS  17           HB2      CYS  17   1.070  -3.333   0.224
  107    HB3  CYS  17           HB3      CYS  17   1.903  -2.004  -0.567
  108    H    ASP  18           H        ASP  18   0.090  -3.096  -3.581
  109    HA   ASP  18           HA       ASP  18   2.212  -2.252  -5.414
  110    HB2  ASP  18           HB2      ASP  18   0.877  -2.845  -7.186
  111    HB3  ASP  18           HB3      ASP  18   0.273  -3.962  -5.968
  112    H    GLY  19           H        GLY  19  -0.189  -1.007  -3.378
  113    HA2  GLY  19           HA2      GLY  19  -0.224   1.278  -2.799
  114    HA3  GLY  19           HA3      GLY  19   0.444   1.669  -4.375
  115    H    SER  20           H        SER  20  -1.950  -0.437  -5.058
  116    HA   SER  20           HA       SER  20  -3.886   1.752  -5.405
  117    HB2  SER  20           HB2      SER  20  -4.137  -0.794  -6.937
  118    HB3  SER  20           HB3      SER  20  -4.526   0.856  -7.425
  119    HG   SER  20           HG       SER  20  -2.091  -0.517  -7.489
  120    H    GLY  21           H        GLY  21  -6.178   1.111  -5.346
  121    HA2  GLY  21           HA2      GLY  21  -7.990   0.139  -4.335
  122    HA3  GLY  21           HA3      GLY  21  -7.005  -1.295  -4.103
  123    H    HIS  22           H        HIS  22  -8.261  -1.381  -2.129
  124    HA   HIS  22           HA       HIS  22  -6.722  -0.361   0.092
  125    HB2  HIS  22           HB2      HIS  22  -9.474   0.624  -0.500
  126    HB3  HIS  22           HB3      HIS  22  -9.149   0.172   1.162
  127    HD1  HIS  22           HD1      HIS  22  -8.456   2.047   2.563
  128    HD2  HIS  22           HD2      HIS  22  -7.357   2.635  -1.408
  129    HE1  HIS  22           HE1      HIS  22  -7.464   4.348   2.465
  130    HE2  HIS  22           HE2      HIS  22  -6.950   4.753   0.031
  131    H    ILE  23           H        ILE  23  -7.270  -1.580   2.080
  132    HA   ILE  23           HA       ILE  23  -8.110  -4.271   1.545
  133    HB   ILE  23           HB       ILE  23  -6.759  -3.020   3.647
  134   HG12  ILE  23          HG12      ILE  23  -6.323  -5.257   2.761
  135   HG13  ILE  23          HG13      ILE  23  -6.501  -5.303   4.511
  136   HG21  ILE  23          HG21      ILE  23  -8.117  -4.024   5.610
  137   HG22  ILE  23          HG22      ILE  23  -8.552  -2.435   4.980
  138   HG23  ILE  23          HG23      ILE  23  -9.491  -3.856   4.519
  139   HD11  ILE  23          HD11      ILE  23  -8.953  -5.931   4.009
  140   HD12  ILE  23          HD12      ILE  23  -8.346  -6.327   2.401
  141   HD13  ILE  23          HD13      ILE  23  -7.693  -7.151   3.818
  142    H    THR  24           H        THR  24  -9.538  -1.327   2.341
  143    HA   THR  24           HA       THR  24 -12.041  -2.029   3.359
  144    HB   THR  24           HB       THR  24 -11.705   0.199   1.410
  145    HG1  THR  24           HG1      THR  24 -10.448   0.018   3.967
  146   HG21  THR  24          HG21      THR  24 -13.169   1.331   2.810
  147   HG22  THR  24          HG22      THR  24 -12.830   0.269   4.177
  148   HG23  THR  24          HG23      THR  24 -13.763  -0.327   2.803
  149    H    GLY  25           H        GLY  25 -11.176  -1.136   0.038
  150    HA2  GLY  25           HA2      GLY  25 -11.870  -2.313  -1.926
  151    HA3  GLY  25           HA3      GLY  25 -13.185  -3.017  -0.992
  152    H    ASN  26           H        ASN  26 -12.454   0.355  -0.699
  153    HA   ASN  26           HA       ASN  26 -14.924   0.994  -2.169
  154    HB2  ASN  26           HB2      ASN  26 -13.902   1.827   0.502
  155    HB3  ASN  26           HB3      ASN  26 -14.814   3.011  -0.425
  156   HD21  ASN  26          HD21      ASN  26 -15.323   1.394   2.063
  157   HD22  ASN  26          HD22      ASN  26 -16.872   0.672   1.792
  158    H    TYR  27           H        TYR  27 -11.660   1.362  -2.335
  159    HA   TYR  27           HA       TYR  27 -11.875   4.047  -3.521
  160    HB2  TYR  27           HB2      TYR  27  -9.645   2.847  -1.873
  161    HB3  TYR  27           HB3      TYR  27  -9.493   4.345  -2.773
  162    HD1  TYR  27           HD2      TYR  27 -11.285   2.718   0.015
  163    HD2  TYR  27           HD1      TYR  27 -10.317   6.391  -1.894
  164    HE1  TYR  27           HE2      TYR  27 -12.179   3.945   1.947
  165    HE2  TYR  27           HE1      TYR  27 -11.194   7.633   0.039
  166    HH   TYR  27           HH       TYR  27 -11.676   7.343   2.348
  167    H    ALA  28           H        ALA  28  -9.805   4.487  -4.886
  168    HA   ALA  28           HA       ALA  28  -9.531   2.237  -6.753
  169    HB1  ALA  28           HB1      ALA  28  -8.776   3.886  -8.376
  170    HB2  ALA  28           HB2      ALA  28 -10.330   4.361  -7.689
  171    HB3  ALA  28           HB3      ALA  28  -8.849   5.149  -7.146
  172    H    SER  29           H        SER  29  -7.658   4.508  -4.789
  173    HA   SER  29           HA       SER  29  -5.444   2.671  -4.681
  174    HB2  SER  29           HB2      SER  29  -3.984   4.813  -5.519
  175    HB3  SER  29           HB3      SER  29  -4.463   3.476  -6.565
  176    HG   SER  29           HG       SER  29  -5.531   4.897  -7.676
  177    H    HIS  30           H        HIS  30  -3.540   3.732  -3.482
  178    HA   HIS  30           HA       HIS  30  -4.372   5.898  -1.715
  179    HB2  HIS  30           HB2      HIS  30  -3.421   4.670   0.262
  180    HB3  HIS  30           HB3      HIS  30  -4.928   4.012  -0.345
  181    HD1  HIS  30           HD1      HIS  30  -4.701   1.693  -1.726
  182    HD2  HIS  30           HD2      HIS  30  -1.330   2.970   0.350
  183    HE1  HIS  30           HE1      HIS  30  -3.111  -0.282  -1.634
  184    H    ARG  31           H        ARG  31  -2.022   5.579  -0.012
  185    HA   ARG  31           HA       ARG  31   0.269   5.598  -1.758
  186    HB2  ARG  31           HB2      ARG  31   0.836   7.990  -0.735
  187    HB3  ARG  31           HB3      ARG  31  -0.006   7.798  -2.265
  188    HG2  ARG  31           HG2      ARG  31  -2.153   7.931  -0.840
  189    HG3  ARG  31           HG3      ARG  31  -1.093   8.604   0.401
  190    HD2  ARG  31           HD2      ARG  31  -2.228  10.297  -1.055
  191    HD3  ARG  31           HD3      ARG  31  -0.471  10.422  -0.997
  192    HE   ARG  31           HE       ARG  31  -1.082   8.817  -3.177
  193   HH11  ARG  31          HH12      ARG  31  -1.621  12.124  -2.153
  194   HH12  ARG  31          HH11      ARG  31  -1.722  12.744  -3.776
  195   HH21  ARG  31          HH22      ARG  31  -1.204   9.609  -5.298
  196   HH22  ARG  31          HH21      ARG  31  -1.456  11.309  -5.576
  197    H    SER  32           H        SER  32  -1.188   5.597   1.342
  198    HA   SER  32           HA       SER  32   1.449   5.080   2.545
  199    HB2  SER  32           HB2      SER  32  -0.748   6.266   4.189
  200    HB3  SER  32           HB3      SER  32   0.997   6.426   4.372
  201    HG   SER  32           HG       SER  32   0.848   7.651   2.296
  202    H    LEU  33           H        LEU  33   0.908   4.091   4.924
  203    HA   LEU  33           HA       LEU  33  -0.346   1.583   4.382
  204    HB2  LEU  33           HB2      LEU  33   1.370   2.736   6.409
  205    HB3  LEU  33           HB3      LEU  33   0.109   1.754   7.130
  206    HG   LEU  33           HG       LEU  33   1.782   0.701   4.882
  207   HD11  LEU  33          HD11      LEU  33   3.391  -0.149   6.390
  208   HD12  LEU  33          HD12      LEU  33   3.222   1.570   6.753
  209   HD13  LEU  33          HD13      LEU  33   2.455   0.370   7.793
  210   HD21  LEU  33          HD21      LEU  33   0.293  -0.612   7.155
  211   HD22  LEU  33          HD22      LEU  33  -0.242  -0.525   5.476
  212   HD23  LEU  33          HD23      LEU  33   1.200  -1.451   5.896
  213    H    SER  34           H        SER  34  -2.003   4.067   4.442
  214    HA   SER  34           HA       SER  34  -3.765   3.801   6.694
  215    HB2  SER  34           HB2      SER  34  -4.860   5.230   4.426
  216    HB3  SER  34           HB3      SER  34  -4.435   5.843   6.025
  217    HG   SER  34           HG       SER  34  -2.494   6.420   5.327
  218    H    GLY  35           H        GLY  35  -3.535   2.584   3.444
  219    HA2  GLY  35           HA2      GLY  35  -5.861   0.894   3.924
  220    HA3  GLY  35           HA3      GLY  35  -5.972   2.009   2.573
  221    H    CYS  36           H        CYS  36  -3.141   0.210   3.667
  222    HA   CYS  36           HA       CYS  36  -2.604  -0.812   1.046
  223    HB2  CYS  36           HB2      CYS  36  -1.414  -1.180   3.779
  224    HB3  CYS  36           HB3      CYS  36  -0.976  -2.299   2.488
  225    HA   PRO  37           HA       PRO  37  -5.376  -4.315   1.817
  226    HB2  PRO  37           HB2      PRO  37  -5.880  -4.928  -0.725
  227    HB3  PRO  37           HB3      PRO  37  -6.582  -3.474   0.010
  228    HG2  PRO  37           HG2      PRO  37  -4.206  -3.724  -1.807
  229    HG3  PRO  37           HG3      PRO  37  -5.508  -2.519  -1.822
  230    HD2  PRO  37           HD2      PRO  37  -3.018  -2.121  -0.680
  231    HD3  PRO  37           HD3      PRO  37  -4.488  -1.229  -0.243
  232    H    ARG  38           H        ARG  38  -2.279  -4.032   0.659
  233    HA   ARG  38           HA       ARG  38  -1.926  -6.954   0.561
  234    HB2  ARG  38           HB2      ARG  38  -0.797  -4.789  -1.140
  235    HB3  ARG  38           HB3      ARG  38   0.252  -6.144  -0.746
  236    HG2  ARG  38           HG2      ARG  38  -1.003  -7.639  -1.941
  237    HG3  ARG  38           HG3      ARG  38  -2.476  -6.675  -1.803
  238    HD2  ARG  38           HD2      ARG  38  -0.903  -4.963  -3.167
  239    HD3  ARG  38           HD3      ARG  38  -0.272  -6.503  -3.749
  240    HE   ARG  38           HE       ARG  38  -3.165  -6.128  -3.814
  241   HH11  ARG  38          HH12      ARG  38  -0.111  -6.192  -5.533
  242   HH12  ARG  38          HH11      ARG  38  -0.853  -6.384  -7.096
  243   HH21  ARG  38          HH22      ARG  38  -4.138  -6.386  -5.860
  244   HH22  ARG  38          HH21      ARG  38  -3.147  -6.497  -7.284
  245    H    ALA  39           H        ALA  39  -1.802  -4.834   2.727
  246    HA   ALA  39           HA       ALA  39   0.851  -4.382   3.493
  247    HB1  ALA  39           HB1      ALA  39  -1.482  -3.509   4.428
  248    HB2  ALA  39           HB2      ALA  39  -1.158  -4.757   5.633
  249    HB3  ALA  39           HB3      ALA  39   0.004  -3.456   5.379
  250    H    LYS  40           H        LYS  40   2.300  -5.901   3.752
  251    HA   LYS  40           HA       LYS  40   3.404  -7.763   4.415
  252    HB2  LYS  40           HB2      LYS  40   1.433  -7.340   6.558
  253    HB3  LYS  40           HB3      LYS  40   2.042  -8.985   6.438
  254    HG2  LYS  40           HG2      LYS  40   3.493  -7.983   7.938
  255    HG3  LYS  40           HG3      LYS  40   4.373  -7.898   6.412
  256    HD2  LYS  40           HD2      LYS  40   4.639  -5.764   7.298
  257    HD3  LYS  40           HD3      LYS  40   3.289  -5.566   6.178
  258    HE2  LYS  40           HE2      LYS  40   1.905  -6.191   8.360
  259    HE3  LYS  40           HE3      LYS  40   3.329  -5.510   9.145
  260    HZ1  LYS  40           HZ1      LYS  40   2.683  -3.470   8.622
  261    HZ2  LYS  40           HZ2      LYS  40   1.198  -4.118   8.124
  262    HZ3  LYS  40           HZ3      LYS  40   2.439  -3.867   6.993
  263    H    LYS  41           H        LYS  41   1.339  -7.878   2.369
  264    HA   LYS  41           HA       LYS  41   0.329 -10.615   2.651
  265    HB2  LYS  41           HB2      LYS  41  -0.496  -8.240   1.149
  266    HB3  LYS  41           HB3      LYS  41  -0.515  -9.712   0.186
  267    HG2  LYS  41           HG2      LYS  41  -1.728 -10.007   2.826
  268    HG3  LYS  41           HG3      LYS  41  -2.543  -8.843   1.777
  269    HD2  LYS  41           HD2      LYS  41  -3.206 -10.435   0.300
  270    HD3  LYS  41           HD3      LYS  41  -1.764 -11.420   0.553
  271    HE2  LYS  41           HE2      LYS  41  -3.014 -12.772   1.798
  272    HE3  LYS  41           HE3      LYS  41  -3.106 -11.478   2.991
  273    HZ1  LYS  41           HZ1      LYS  41  -5.308 -11.955   2.591
  274    HZ2  LYS  41           HZ2      LYS  41  -5.069 -12.249   0.938
  275    HZ3  LYS  41           HZ3      LYS  41  -5.048 -10.658   1.529
  276    H    SER  42           H        SER  42   1.177  -9.097  -0.389
  277    HA   SER  42           HA       SER  42   2.876 -11.340  -1.089
  278    HB2  SER  42           HB2      SER  42   2.664  -9.025  -2.919
  279    HB3  SER  42           HB3      SER  42   2.469 -10.747  -3.251
  280    HG   SER  42           HG       SER  42   0.402 -10.601  -2.186
  281    H    GLY  43           H        GLY  43   3.989 -10.067   0.999
  282    HA2  GLY  43           HA2      GLY  43   6.567  -9.629   0.667
  283    HA3  GLY  43           HA3      GLY  43   5.933  -8.124   0.006
  284    H    LEU  44           H        LEU  44   6.925  -9.714   2.785
  285    HA   LEU  44           HA       LEU  44   5.405  -7.902   4.527
  286    HB2  LEU  44           HB2      LEU  44   6.641  -9.802   6.134
  287    HB3  LEU  44           HB3      LEU  44   4.954  -9.761   5.665
  288    HG   LEU  44           HG       LEU  44   6.723 -11.035   3.693
  289   HD11  LEU  44          HD11      LEU  44   6.960 -13.106   4.969
  290   HD12  LEU  44          HD12      LEU  44   7.833 -11.773   5.725
  291   HD13  LEU  44          HD13      LEU  44   6.290 -12.305   6.391
  292   HD21  LEU  44          HD21      LEU  44   4.695 -11.708   3.089
  293   HD22  LEU  44          HD22      LEU  44   4.673 -12.743   4.517
  294   HD23  LEU  44          HD23      LEU  44   3.990 -11.119   4.594
  295    H    ARG  45           H        ARG  45   8.632  -9.368   4.177
  296    HA   ARG  45           HA       ARG  45   9.734  -6.995   5.535
  297    HB2  ARG  45           HB2      ARG  45  11.685  -8.793   5.956
  298    HB3  ARG  45           HB3      ARG  45  10.370  -8.524   7.090
  299    HG2  ARG  45           HG2      ARG  45   9.657 -10.608   6.860
  300    HG3  ARG  45           HG3      ARG  45   9.604 -10.455   5.101
  301    HD2  ARG  45           HD2      ARG  45  12.250 -10.659   5.437
  302    HD3  ARG  45           HD3      ARG  45  11.717 -11.562   6.855
  303    HE   ARG  45           HE       ARG  45  10.620 -13.113   5.411
  304   HH11  ARG  45          HH12      ARG  45  12.678 -10.783   3.810
  305   HH12  ARG  45          HH11      ARG  45  12.764 -11.678   2.323
  306   HH21  ARG  45          HH22      ARG  45  10.722 -14.305   3.457
  307   HH22  ARG  45          HH21      ARG  45  11.661 -13.690   2.125
  308    H    VAL  46           H        VAL  46   9.925  -6.000   3.497
  309    HA   VAL  46           HA       VAL  46  12.349  -6.794   2.086
  310    HB   VAL  46           HB       VAL  46  10.740  -5.823   0.029
  311   HG11  VAL  46          HG11      VAL  46  11.728  -8.552   0.776
  312   HG12  VAL  46          HG12      VAL  46  10.841  -8.266  -0.721
  313   HG13  VAL  46          HG13      VAL  46  12.366  -7.431  -0.426
  314   HG21  VAL  46          HG21      VAL  46   8.698  -6.183   1.236
  315   HG22  VAL  46          HG22      VAL  46   8.834  -7.439   0.005
  316   HG23  VAL  46          HG23      VAL  46   9.196  -7.813   1.690
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1   9.337  21.031 -17.160
    2    H2   GLY   1           H2       GLY   1   7.963  22.020 -17.084
    3    H3   GLY   1           H3       GLY   1   8.685  21.680 -18.581
    4    HA2  GLY   1           HA3      GLY   1   6.565  20.412 -17.925
    5    HA3  GLY   1           HA2      GLY   1   7.899  19.538 -18.665
    6    H    SER   2           H        SER   2   7.828  17.585 -17.763
    7    HA   SER   2           HA       SER   2   7.935  15.918 -16.237
    8    HB2  SER   2           HB2      SER   2   9.019  17.874 -14.224
    9    HB3  SER   2           HB3      SER   2   9.428  16.173 -14.443
   10    HG   SER   2           HG       SER   2  10.188  16.998 -16.641
   11    H    MET   3           H        MET   3   5.462  16.529 -16.399
   12    HA   MET   3           HA       MET   3   4.372  17.367 -13.828
   13    HB2  MET   3           HB2      MET   3   3.468  17.689 -16.375
   14    HB3  MET   3           HB3      MET   3   2.537  16.285 -15.870
   15    HG2  MET   3           HG2      MET   3   2.202  17.877 -13.724
   16    HG3  MET   3           HG3      MET   3   2.370  19.086 -14.996
   17    HE1  MET   3           HE1      MET   3  -1.528  18.506 -14.070
   18    HE2  MET   3           HE2      MET   3  -0.248  17.956 -12.986
   19    HE3  MET   3           HE3      MET   3  -0.135  19.541 -13.754
   20    H    ALA   4           H        ALA   4   5.374  14.532 -15.328
   21    HA   ALA   4           HA       ALA   4   4.373  12.928 -13.136
   22    HB1  ALA   4           HB1      ALA   4   3.804  11.521 -15.610
   23    HB2  ALA   4           HB2      ALA   4   2.786  11.765 -14.189
   24    HB3  ALA   4           HB3      ALA   4   2.848  12.996 -15.450
   25    H    ALA   5           H        ALA   5   6.927  13.818 -13.987
   26    HA   ALA   5           HA       ALA   5   8.222  11.562 -15.279
   27    HB1  ALA   5           HB1      ALA   5   9.212  13.473 -16.057
   28    HB2  ALA   5           HB2      ALA   5   9.033  14.323 -14.524
   29    HB3  ALA   5           HB3      ALA   5  10.287  13.100 -14.713
   30    H    HIS   6           H        HIS   6   7.141  10.594 -13.117
   31    HA   HIS   6           HA       HIS   6   9.368  10.284 -11.211
   32    HB2  HIS   6           HB2      HIS   6   6.560  10.910 -10.737
   33    HB3  HIS   6           HB3      HIS   6   7.066   9.459  -9.876
   34    HD1  HIS   6           HD1      HIS   6   7.707  10.038  -7.567
   35    HD2  HIS   6           HD2      HIS   6   8.790  13.014 -10.257
   36    HE1  HIS   6           HE1      HIS   6   8.862  11.803  -6.194
   37    HE2  HIS   6           HE2      HIS   6   9.704  13.475  -7.881
   38    H    SER   7           H        SER   7   9.351   8.105 -10.134
   39    HA   SER   7           HA       SER   7   8.819   6.086 -12.166
   40    HB2  SER   7           HB2      SER   7   9.950   5.241  -9.576
   41    HB3  SER   7           HB3      SER   7  10.493   4.893 -11.218
   42    HG   SER   7           HG       SER   7  11.112   7.276 -11.147
   43    H    ALA   8           H        ALA   8   8.330   3.822 -10.704
   44    HA   ALA   8           HA       ALA   8   5.548   4.159 -10.077
   45    HB1  ALA   8           HB1      ALA   8   7.391   1.908 -10.491
   46    HB2  ALA   8           HB2      ALA   8   6.051   1.599  -9.386
   47    HB3  ALA   8           HB3      ALA   8   5.727   2.135 -11.034
   48    H    ASP   9           H        ASP   9   7.819   5.224  -8.269
   49    HA   ASP   9           HA       ASP   9   7.056   3.917  -5.770
   50    HB2  ASP   9           HB2      ASP   9   9.497   4.668  -6.522
   51    HB3  ASP   9           HB3      ASP   9   8.974   6.197  -5.822
   52    H    LEU  10           H        LEU  10   5.165   5.395  -7.195
   53    HA   LEU  10           HA       LEU  10   4.720   7.786  -5.548
   54    HB2  LEU  10           HB2      LEU  10   2.603   7.799  -7.182
   55    HB3  LEU  10           HB3      LEU  10   4.140   8.516  -7.623
   56    HG   LEU  10           HG       LEU  10   4.664   6.220  -8.696
   57   HD11  LEU  10          HD11      LEU  10   1.670   6.061  -8.443
   58   HD12  LEU  10          HD12      LEU  10   2.644   5.057  -9.516
   59   HD13  LEU  10          HD13      LEU  10   2.857   4.945  -7.769
   60   HD21  LEU  10          HD21      LEU  10   3.557   6.893 -10.771
   61   HD22  LEU  10          HD22      LEU  10   2.579   8.051  -9.867
   62   HD23  LEU  10          HD23      LEU  10   4.327   8.259  -9.965
   63    H    LYS  11           H        LYS  11   4.586   4.935  -4.792
   64    HA   LYS  11           HA       LYS  11   1.747   4.632  -4.173
   65    HB2  LYS  11           HB2      LYS  11   2.215   2.249  -4.027
   66    HB3  LYS  11           HB3      LYS  11   2.783   2.890  -5.554
   67    HG2  LYS  11           HG2      LYS  11   5.019   2.705  -4.954
   68    HG3  LYS  11           HG3      LYS  11   4.645   2.589  -3.231
   69    HD2  LYS  11           HD2      LYS  11   3.273   0.468  -4.332
   70    HD3  LYS  11           HD3      LYS  11   4.775   0.502  -5.257
   71    HE2  LYS  11           HE2      LYS  11   5.201  -0.899  -3.423
   72    HE3  LYS  11           HE3      LYS  11   5.965   0.638  -3.023
   73    HZ1  LYS  11           HZ1      LYS  11   4.364  -0.668  -1.368
   74    HZ2  LYS  11           HZ2      LYS  11   3.214   0.308  -2.133
   75    HZ3  LYS  11           HZ3      LYS  11   4.536   1.014  -1.345
   76    H    CYS  12           H        CYS  12   2.391   2.570  -2.210
   77    HA   CYS  12           HA       CYS  12   2.636   4.354   0.053
   78    HB2  CYS  12           HB2      CYS  12   1.843   2.200   1.214
   79    HB3  CYS  12           HB3      CYS  12   0.740   2.965   0.075
   80    HA   PRO  13           HA       PRO  13   6.525   2.755   1.559
   81    HB2  PRO  13           HB2      PRO  13   6.133   2.127   4.152
   82    HB3  PRO  13           HB3      PRO  13   6.076   3.792   3.570
   83    HG2  PRO  13           HG2      PRO  13   3.813   1.928   4.149
   84    HG3  PRO  13           HG3      PRO  13   3.993   3.637   4.587
   85    HD2  PRO  13           HD2      PRO  13   2.526   2.816   2.466
   86    HD3  PRO  13           HD3      PRO  13   3.382   4.370   2.501
   87    H    THR  14           H        THR  14   3.796   0.636   2.079
   88    HA   THR  14           HA       THR  14   5.093  -1.670   2.965
   89    HB   THR  14           HB       THR  14   2.658  -1.737   1.207
   90    HG1  THR  14           HG1      THR  14   1.481  -0.821   2.787
   91   HG21  THR  14          HG21      THR  14   3.941  -3.493   3.173
   92   HG22  THR  14          HG22      THR  14   2.806  -3.885   1.883
   93   HG23  THR  14          HG23      THR  14   2.210  -3.281   3.430
   94    HA   PRO  15           HA       PRO  15   7.413  -2.610  -0.749
   95    HB2  PRO  15           HB2      PRO  15   8.028  -5.094   0.748
   96    HB3  PRO  15           HB3      PRO  15   9.126  -3.900   0.052
   97    HG2  PRO  15           HG2      PRO  15   8.769  -4.030   2.676
   98    HG3  PRO  15           HG3      PRO  15   8.929  -2.466   1.857
   99    HD2  PRO  15           HD2      PRO  15   6.454  -3.847   2.840
  100    HD3  PRO  15           HD3      PRO  15   6.914  -2.133   2.963
  101    H    GLY  16           H        GLY  16   5.399  -5.077   0.837
  102    HA2  GLY  16           HA2      GLY  16   5.261  -6.680  -1.536
  103    HA3  GLY  16           HA3      GLY  16   4.399  -6.972  -0.035
  104    H    CYS  17           H        CYS  17   3.595  -3.975  -0.450
  105    HA   CYS  17           HA       CYS  17   1.148  -4.625  -1.896
  106    HB2  CYS  17           HB2      CYS  17   1.033  -3.620   0.364
  107    HB3  CYS  17           HB3      CYS  17   1.874  -2.202  -0.241
  108    H    ASP  18           H        ASP  18   0.372  -3.258  -3.577
  109    HA   ASP  18           HA       ASP  18   2.579  -2.102  -5.108
  110    HB2  ASP  18           HB2      ASP  18   1.494  -2.725  -7.027
  111    HB3  ASP  18           HB3      ASP  18   0.836  -3.927  -5.925
  112    H    GLY  19           H        GLY  19  -0.137  -1.144  -3.305
  113    HA2  GLY  19           HA2      GLY  19  -0.426   1.105  -2.661
  114    HA3  GLY  19           HA3      GLY  19   0.382   1.607  -4.133
  115    H    SER  20           H        SER  20  -1.822  -0.661  -5.064
  116    HA   SER  20           HA       SER  20  -3.803   1.440  -5.637
  117    HB2  SER  20           HB2      SER  20  -3.716  -1.186  -7.089
  118    HB3  SER  20           HB3      SER  20  -4.332   0.372  -7.643
  119    HG   SER  20           HG       SER  20  -1.711  -0.608  -7.565
  120    H    GLY  21           H        GLY  21  -6.032   0.927  -5.480
  121    HA2  GLY  21           HA2      GLY  21  -7.893  -0.097  -4.568
  122    HA3  GLY  21           HA3      GLY  21  -6.914  -1.532  -4.303
  123    H    HIS  22           H        HIS  22  -8.405  -1.378  -2.375
  124    HA   HIS  22           HA       HIS  22  -6.819  -0.429  -0.141
  125    HB2  HIS  22           HB2      HIS  22  -9.448   0.749  -0.862
  126    HB3  HIS  22           HB3      HIS  22  -9.244   0.313   0.826
  127    HD1  HIS  22           HD1      HIS  22  -8.382   2.120   2.224
  128    HD2  HIS  22           HD2      HIS  22  -7.150   2.547  -1.728
  129    HE1  HIS  22           HE1      HIS  22  -7.185   4.319   2.123
  130    HE2  HIS  22           HE2      HIS  22  -6.554   4.625  -0.295
  131    H    ILE  23           H        ILE  23  -7.505  -1.409   1.882
  132    HA   ILE  23           HA       ILE  23  -8.497  -4.079   1.560
  133    HB   ILE  23           HB       ILE  23  -7.116  -2.608   3.584
  134   HG12  ILE  23          HG12      ILE  23  -6.354  -4.717   2.711
  135   HG13  ILE  23          HG13      ILE  23  -6.634  -4.894   4.440
  136   HG21  ILE  23          HG21      ILE  23  -9.445  -4.150   4.713
  137   HG22  ILE  23          HG22      ILE  23  -8.171  -3.330   5.614
  138   HG23  ILE  23          HG23      ILE  23  -9.330  -2.391   4.673
  139   HD11  ILE  23          HD11      ILE  23  -7.586  -6.523   2.408
  140   HD12  ILE  23          HD12      ILE  23  -8.078  -6.539   4.101
  141   HD13  ILE  23          HD13      ILE  23  -8.987  -5.588   2.928
  142    H    THR  24           H        THR  24  -9.799  -0.982   2.498
  143    HA   THR  24           HA       THR  24 -12.272  -1.884   3.541
  144    HB   THR  24           HB       THR  24 -11.408   0.385   3.983
  145    HG1  THR  24           HG1      THR  24 -13.748  -0.128   3.981
  146   HG21  THR  24          HG21      THR  24 -11.320   0.497   1.101
  147   HG22  THR  24          HG22      THR  24 -10.564   1.552   2.292
  148   HG23  THR  24          HG23      THR  24 -12.219   1.857   1.771
  149    H    GLY  25           H        GLY  25 -11.071  -1.475   0.316
  150    HA2  GLY  25           HA2      GLY  25 -11.996  -2.002  -1.722
  151    HA3  GLY  25           HA3      GLY  25 -13.324  -2.753  -0.844
  152    H    ASN  26           H        ASN  26 -12.155   0.589  -0.972
  153    HA   ASN  26           HA       ASN  26 -14.730   1.446  -2.077
  154    HB2  ASN  26           HB2      ASN  26 -13.623   2.047   0.626
  155    HB3  ASN  26           HB3      ASN  26 -14.496   3.325  -0.206
  156   HD21  ASN  26          HD21      ASN  26 -14.773   0.754   1.830
  157   HD22  ASN  26          HD22      ASN  26 -16.473   0.487   1.686
  158    H    TYR  27           H        TYR  27 -11.527   1.546  -2.479
  159    HA   TYR  27           HA       TYR  27 -11.584   4.256  -3.581
  160    HB2  TYR  27           HB2      TYR  27  -9.408   3.081  -1.846
  161    HB3  TYR  27           HB3      TYR  27  -9.268   4.575  -2.746
  162    HD1  TYR  27           HD2      TYR  27 -10.457   6.583  -2.034
  163    HD2  TYR  27           HD1      TYR  27 -10.770   2.954   0.165
  164    HE1  TYR  27           HE2      TYR  27 -11.425   7.816  -0.142
  165    HE2  TYR  27           HE1      TYR  27 -11.729   4.183   2.064
  166    HH   TYR  27           HH       TYR  27 -12.628   7.560   1.802
  167    H    ALA  28           H        ALA  28  -9.795   4.629  -5.143
  168    HA   ALA  28           HA       ALA  28  -9.464   2.277  -6.815
  169    HB1  ALA  28           HB1      ALA  28  -9.915   3.951  -8.255
  170    HB2  ALA  28           HB2      ALA  28  -9.256   5.192  -7.189
  171    HB3  ALA  28           HB3      ALA  28  -8.173   4.210  -8.176
  172    H    SER  29           H        SER  29  -7.452   4.500  -4.956
  173    HA   SER  29           HA       SER  29  -5.349   2.536  -4.800
  174    HB2  SER  29           HB2      SER  29  -3.859   4.734  -5.618
  175    HB3  SER  29           HB3      SER  29  -4.187   3.290  -6.576
  176    HG   SER  29           HG       SER  29  -6.144   5.290  -6.543
  177    H    HIS  30           H        HIS  30  -3.385   3.590  -3.621
  178    HA   HIS  30           HA       HIS  30  -4.158   5.752  -1.837
  179    HB2  HIS  30           HB2      HIS  30  -3.441   4.477   0.167
  180    HB3  HIS  30           HB3      HIS  30  -4.889   3.826  -0.577
  181    HD1  HIS  30           HD1      HIS  30  -4.599   1.492  -1.870
  182    HD2  HIS  30           HD2      HIS  30  -1.327   2.792   0.357
  183    HE1  HIS  30           HE1      HIS  30  -3.037  -0.495  -1.645
  184    H    ARG  31           H        ARG  31  -2.037   5.706  -0.092
  185    HA   ARG  31           HA       ARG  31   0.416   5.509  -1.639
  186    HB2  ARG  31           HB2      ARG  31  -1.057   7.878  -1.654
  187    HB3  ARG  31           HB3      ARG  31   0.223   8.162  -0.482
  188    HG2  ARG  31           HG2      ARG  31   1.750   8.374  -2.072
  189    HG3  ARG  31           HG3      ARG  31   1.219   6.902  -2.883
  190    HD2  ARG  31           HD2      ARG  31  -0.405   9.401  -3.108
  191    HD3  ARG  31           HD3      ARG  31   1.032   9.192  -4.107
  192    HE   ARG  31           HE       ARG  31  -0.118   6.994  -4.762
  193   HH11  ARG  31          HH12      ARG  31  -1.775   9.999  -4.038
  194   HH12  ARG  31          HH11      ARG  31  -3.139   9.632  -5.056
  195   HH21  ARG  31          HH22      ARG  31  -1.916   6.497  -6.071
  196   HH22  ARG  31          HH21      ARG  31  -3.228   7.639  -6.211
  197    H    SER  32           H        SER  32  -1.041   4.898   1.139
  198    HA   SER  32           HA       SER  32   1.438   5.025   2.643
  199    HB2  SER  32           HB2      SER  32  -0.717   5.868   4.377
  200    HB3  SER  32           HB3      SER  32   0.863   6.601   4.123
  201    HG   SER  32           HG       SER  32  -1.200   6.911   2.219
  202    H    LEU  33           H        LEU  33   1.162   3.895   4.823
  203    HA   LEU  33           HA       LEU  33   0.030   1.325   4.344
  204    HB2  LEU  33           HB2      LEU  33   1.847   2.580   6.213
  205    HB3  LEU  33           HB3      LEU  33   0.736   1.508   7.043
  206    HG   LEU  33           HG       LEU  33   2.234   0.565   4.635
  207   HD11  LEU  33          HD11      LEU  33   3.618   1.608   6.674
  208   HD12  LEU  33          HD12      LEU  33   3.362  -0.021   7.295
  209   HD13  LEU  33          HD13      LEU  33   4.167   0.215   5.745
  210   HD21  LEU  33          HD21      LEU  33   1.017  -0.759   7.054
  211   HD22  LEU  33          HD22      LEU  33   0.471  -0.871   5.381
  212   HD23  LEU  33          HD23      LEU  33   2.002  -1.604   5.859
  213    H    SER  34           H        SER  34  -2.045   3.196   4.341
  214    HA   SER  34           HA       SER  34  -3.449   2.644   6.865
  215    HB2  SER  34           HB2      SER  34  -4.627   4.573   4.956
  216    HB3  SER  34           HB3      SER  34  -4.475   4.671   6.712
  217    HG   SER  34           HG       SER  34  -2.205   5.100   6.350
  218    H    GLY  35           H        GLY  35  -3.838   2.686   3.337
  219    HA2  GLY  35           HA2      GLY  35  -6.131   0.862   3.674
  220    HA3  GLY  35           HA3      GLY  35  -5.938   1.975   2.327
  221    H    CYS  36           H        CYS  36  -3.284   0.089   3.568
  222    HA   CYS  36           HA       CYS  36  -2.698  -1.040   1.038
  223    HB2  CYS  36           HB2      CYS  36  -1.650  -1.440   3.825
  224    HB3  CYS  36           HB3      CYS  36  -1.125  -2.495   2.514
  225    HA   PRO  37           HA       PRO  37  -5.473  -4.574   1.608
  226    HB2  PRO  37           HB2      PRO  37  -5.464  -5.352  -0.968
  227    HB3  PRO  37           HB3      PRO  37  -6.446  -3.996  -0.405
  228    HG2  PRO  37           HG2      PRO  37  -3.853  -3.979  -1.878
  229    HG3  PRO  37           HG3      PRO  37  -5.249  -2.897  -2.043
  230    HD2  PRO  37           HD2      PRO  37  -2.945  -2.293  -0.634
  231    HD3  PRO  37           HD3      PRO  37  -4.520  -1.522  -0.380
  232    H    ARG  38           H        ARG  38  -2.285  -4.270   0.310
  233    HA   ARG  38           HA       ARG  38  -1.775  -7.137   0.759
  234    HB2  ARG  38           HB2      ARG  38  -0.603  -5.136  -1.121
  235    HB3  ARG  38           HB3      ARG  38   0.445  -6.404  -0.498
  236    HG2  ARG  38           HG2      ARG  38  -0.745  -8.083  -1.556
  237    HG3  ARG  38           HG3      ARG  38  -2.197  -7.093  -1.713
  238    HD2  ARG  38           HD2      ARG  38  -0.311  -5.664  -3.116
  239    HD3  ARG  38           HD3      ARG  38   0.104  -7.338  -3.481
  240    HE   ARG  38           HE       ARG  38  -2.677  -6.972  -3.762
  241   HH11  ARG  38          HH12      ARG  38   0.354  -6.215  -5.354
  242   HH12  ARG  38          HH11      ARG  38  -0.382  -6.018  -6.924
  243   HH21  ARG  38          HH22      ARG  38  -3.635  -6.740  -5.823
  244   HH22  ARG  38          HH21      ARG  38  -2.640  -6.315  -7.187
  245    H    ALA  39           H        ALA  39  -2.034  -5.355   2.887
  246    HA   ALA  39           HA       ALA  39   0.211  -4.051   3.781
  247    HB1  ALA  39           HB1      ALA  39  -1.913  -3.821   4.886
  248    HB2  ALA  39           HB2      ALA  39  -1.862  -5.502   5.417
  249    HB3  ALA  39           HB3      ALA  39  -0.699  -4.341   6.053
  250    H    LYS  40           H        LYS  40   1.870  -4.528   5.151
  251    HA   LYS  40           HA       LYS  40   3.506  -6.598   4.682
  252    HB2  LYS  40           HB2      LYS  40   3.161  -4.936   7.159
  253    HB3  LYS  40           HB3      LYS  40   4.391  -6.191   7.090
  254    HG2  LYS  40           HG2      LYS  40   5.747  -4.727   6.145
  255    HG3  LYS  40           HG3      LYS  40   4.689  -4.726   4.730
  256    HD2  LYS  40           HD2      LYS  40   4.279  -2.575   5.138
  257    HD3  LYS  40           HD3      LYS  40   3.423  -3.079   6.598
  258    HE2  LYS  40           HE2      LYS  40   6.382  -2.858   6.726
  259    HE3  LYS  40           HE3      LYS  40   5.451  -1.364   6.664
  260    HZ1  LYS  40           HZ1      LYS  40   5.217  -1.599   8.844
  261    HZ2  LYS  40           HZ2      LYS  40   5.803  -3.192   8.828
  262    HZ3  LYS  40           HZ3      LYS  40   4.161  -2.890   8.527
  263    H    LYS  41           H        LYS  41   3.267  -8.690   4.804
  264    HA   LYS  41           HA       LYS  41   1.685  -9.828   7.000
  265    HB2  LYS  41           HB2      LYS  41   1.468 -10.158   4.204
  266    HB3  LYS  41           HB3      LYS  41   2.096 -11.676   4.835
  267    HG2  LYS  41           HG2      LYS  41  -0.001 -12.215   5.301
  268    HG3  LYS  41           HG3      LYS  41   0.067 -11.012   6.591
  269    HD2  LYS  41           HD2      LYS  41  -0.426  -9.527   4.306
  270    HD3  LYS  41           HD3      LYS  41  -1.405 -10.980   4.091
  271    HE2  LYS  41           HE2      LYS  41  -1.452  -9.087   6.438
  272    HE3  LYS  41           HE3      LYS  41  -2.710  -9.300   5.222
  273    HZ1  LYS  41           HZ1      LYS  41  -2.915 -10.469   7.507
  274    HZ2  LYS  41           HZ2      LYS  41  -1.854 -11.608   6.840
  275    HZ3  LYS  41           HZ3      LYS  41  -3.350 -11.307   6.100
  276    H    SER  42           H        SER  42   2.498 -12.511   6.475
  277    HA   SER  42           HA       SER  42   4.666 -12.692   8.206
  278    HB2  SER  42           HB2      SER  42   4.340 -15.056   6.553
  279    HB3  SER  42           HB3      SER  42   4.015 -14.835   8.274
  280    HG   SER  42           HG       SER  42   1.969 -14.361   7.869
  281    H    GLY  43           H        GLY  43   4.582 -12.668   4.679
  282    HA2  GLY  43           HA2      GLY  43   7.444 -13.319   4.594
  283    HA3  GLY  43           HA3      GLY  43   6.351 -13.283   3.220
  284    H    LEU  44           H        LEU  44   5.372 -10.612   4.434
  285    HA   LEU  44           HA       LEU  44   7.442  -9.009   3.108
  286    HB2  LEU  44           HB2      LEU  44   4.834  -7.791   3.799
  287    HB3  LEU  44           HB3      LEU  44   5.840  -7.560   2.384
  288    HG   LEU  44           HG       LEU  44   4.333 -10.123   2.777
  289   HD11  LEU  44          HD11      LEU  44   2.529  -9.126   1.389
  290   HD12  LEU  44          HD12      LEU  44   2.639  -8.443   3.012
  291   HD13  LEU  44          HD13      LEU  44   3.273  -7.545   1.630
  292   HD21  LEU  44          HD21      LEU  44   5.698  -8.701   0.549
  293   HD22  LEU  44          HD22      LEU  44   5.730 -10.408   0.991
  294   HD23  LEU  44          HD23      LEU  44   4.318  -9.734   0.178
  295    H    ARG  45           H        ARG  45   8.736  -9.120   5.057
  296    HA   ARG  45           HA       ARG  45   9.587  -8.292   6.986
  297    HB2  ARG  45           HB2      ARG  45   9.199  -6.197   5.504
  298    HB3  ARG  45           HB3      ARG  45   7.894  -5.842   6.627
  299    HG2  ARG  45           HG2      ARG  45   9.679  -4.644   7.482
  300    HG3  ARG  45           HG3      ARG  45   9.678  -6.111   8.460
  301    HD2  ARG  45           HD2      ARG  45  11.922  -5.282   7.556
  302    HD3  ARG  45           HD3      ARG  45  11.536  -6.990   7.355
  303    HE   ARG  45           HE       ARG  45  11.139  -5.022   5.188
  304   HH11  ARG  45          HH12      ARG  45  12.456  -8.052   6.380
  305   HH12  ARG  45          HH11      ARG  45  12.926  -8.614   4.799
  306   HH21  ARG  45          HH22      ARG  45  11.753  -5.762   3.120
  307   HH22  ARG  45          HH21      ARG  45  12.498  -7.324   2.940
  308    H    VAL  46           H        VAL  46   8.139 -10.016   7.946
  309    HA   VAL  46           HA       VAL  46   5.794  -9.220   9.348
  310    HB   VAL  46           HB       VAL  46   6.325 -11.592   8.732
  311   HG11  VAL  46          HG11      VAL  46   8.339 -12.363   9.260
  312   HG12  VAL  46          HG12      VAL  46   8.619 -11.061  10.416
  313   HG13  VAL  46          HG13      VAL  46   7.746 -12.510  10.914
  314   HG21  VAL  46          HG21      VAL  46   5.503 -10.738  11.457
  315   HG22  VAL  46          HG22      VAL  46   4.568 -11.525  10.187
  316   HG23  VAL  46          HG23      VAL  46   5.717 -12.460  11.140
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1   1.864  -8.068  -6.470
    2    H2   GLY   1           H2       GLY   1   3.274  -8.892  -6.011
    3    H3   GLY   1           H3       GLY   1   3.189  -8.140  -7.529
    4    HA2  GLY   1           HA3      GLY   1   3.013  -6.676  -4.963
    5    HA3  GLY   1           HA2      GLY   1   4.517  -6.911  -5.845
    6    H    SER   2           H        SER   2   5.069  -5.159  -6.950
    7    HA   SER   2           HA       SER   2   3.006  -3.298  -7.831
    8    HB2  SER   2           HB2      SER   2   5.508  -2.335  -8.630
    9    HB3  SER   2           HB3      SER   2   4.602  -1.847  -7.196
   10    HG   SER   2           HG       SER   2   5.913  -2.973  -5.963
   11    H    MET   3           H        MET   3   2.179  -3.433  -9.813
   12    HA   MET   3           HA       MET   3   3.526  -5.021 -11.841
   13    HB2  MET   3           HB2      MET   3   0.987  -5.027 -11.295
   14    HB3  MET   3           HB3      MET   3   0.940  -3.552 -12.251
   15    HG2  MET   3           HG2      MET   3   2.104  -4.910 -14.072
   16    HG3  MET   3           HG3      MET   3   1.645  -6.325 -13.128
   17    HE1  MET   3           HE1      MET   3   0.671  -5.351 -16.308
   18    HE2  MET   3           HE2      MET   3  -0.781  -4.352 -16.245
   19    HE3  MET   3           HE3      MET   3   0.748  -3.725 -15.628
   20    H    ALA   4           H        ALA   4   2.369  -1.698 -11.400
   21    HA   ALA   4           HA       ALA   4   4.068  -0.898 -13.679
   22    HB1  ALA   4           HB1      ALA   4   1.314  -0.248 -12.988
   23    HB2  ALA   4           HB2      ALA   4   2.303   1.173 -13.326
   24    HB3  ALA   4           HB3      ALA   4   2.161  -0.109 -14.530
   25    H    ALA   5           H        ALA   5   3.945  -0.879 -10.419
   26    HA   ALA   5           HA       ALA   5   5.178   1.776 -10.157
   27    HB1  ALA   5           HB1      ALA   5   4.158  -0.010  -7.953
   28    HB2  ALA   5           HB2      ALA   5   4.679   1.667  -7.807
   29    HB3  ALA   5           HB3      ALA   5   3.218   1.273  -8.711
   30    H    HIS   6           H        HIS   6   6.801   1.652  -8.128
   31    HA   HIS   6           HA       HIS   6   8.526  -0.696  -8.422
   32    HB2  HIS   6           HB2      HIS   6   9.102   1.859  -9.540
   33    HB3  HIS   6           HB3      HIS   6  10.198   1.612  -8.184
   34    HD1  HIS   6           HD1      HIS   6  12.321   0.612  -8.911
   35    HD2  HIS   6           HD2      HIS   6   9.119  -0.727 -11.207
   36    HE1  HIS   6           HE1      HIS   6  13.307  -0.973 -10.600
   37    HE2  HIS   6           HE2      HIS   6  11.378  -1.605 -12.101
   38    H    SER   7           H        SER   7  10.391  -0.504  -6.750
   39    HA   SER   7           HA       SER   7   9.127  -0.125  -4.194
   40    HB2  SER   7           HB2      SER   7  11.918  -0.754  -3.979
   41    HB3  SER   7           HB3      SER   7  10.526  -1.777  -3.620
   42    HG   SER   7           HG       SER   7  12.076  -2.481  -5.333
   43    H    ALA   8           H        ALA   8   8.951   2.256  -4.687
   44    HA   ALA   8           HA       ALA   8  11.115   3.635  -3.312
   45    HB1  ALA   8           HB1      ALA   8  10.754   5.535  -5.097
   46    HB2  ALA   8           HB2      ALA   8  11.902   4.227  -5.387
   47    HB3  ALA   8           HB3      ALA   8  10.303   4.176  -6.131
   48    H    ASP   9           H        ASP   9  10.329   6.066  -3.024
   49    HA   ASP   9           HA       ASP   9   7.774   5.846  -1.713
   50    HB2  ASP   9           HB2      ASP   9   9.939   7.176  -0.993
   51    HB3  ASP   9           HB3      ASP   9   9.208   8.460  -1.952
   52    H    LEU  10           H        LEU  10   7.586   5.556  -4.462
   53    HA   LEU  10           HA       LEU  10   6.151   7.948  -5.368
   54    HB2  LEU  10           HB2      LEU  10   6.108   7.002  -7.518
   55    HB3  LEU  10           HB3      LEU  10   7.706   6.619  -6.905
   56    HG   LEU  10           HG       LEU  10   5.830   4.498  -6.295
   57   HD11  LEU  10          HD11      LEU  10   4.999   5.620  -8.538
   58   HD12  LEU  10          HD12      LEU  10   6.329   4.678  -9.214
   59   HD13  LEU  10          HD13      LEU  10   5.034   3.870  -8.331
   60   HD21  LEU  10          HD21      LEU  10   7.551   3.120  -7.139
   61   HD22  LEU  10          HD22      LEU  10   8.245   4.435  -8.083
   62   HD23  LEU  10          HD23      LEU  10   8.356   4.460  -6.325
   63    H    LYS  11           H        LYS  11   5.792   4.967  -3.832
   64    HA   LYS  11           HA       LYS  11   2.893   5.203  -3.945
   65    HB2  LYS  11           HB2      LYS  11   3.001   2.556  -3.814
   66    HB3  LYS  11           HB3      LYS  11   3.048   3.382  -5.357
   67    HG2  LYS  11           HG2      LYS  11   4.743   1.891  -5.624
   68    HG3  LYS  11           HG3      LYS  11   5.638   3.272  -4.987
   69    HD2  LYS  11           HD2      LYS  11   6.391   1.347  -3.807
   70    HD3  LYS  11           HD3      LYS  11   5.365   2.263  -2.701
   71    HE2  LYS  11           HE2      LYS  11   3.584   0.575  -3.942
   72    HE3  LYS  11           HE3      LYS  11   5.028  -0.425  -3.778
   73    HZ1  LYS  11           HZ1      LYS  11   4.786   0.854  -1.372
   74    HZ2  LYS  11           HZ2      LYS  11   4.387  -0.759  -1.691
   75    HZ3  LYS  11           HZ3      LYS  11   3.189   0.444  -1.771
   76    H    CYS  12           H        CYS  12   2.426   3.040  -2.186
   77    HA   CYS  12           HA       CYS  12   2.839   4.328   0.261
   78    HB2  CYS  12           HB2      CYS  12   1.826   2.114   1.113
   79    HB3  CYS  12           HB3      CYS  12   0.863   3.109   0.032
   80    HA   PRO  13           HA       PRO  13   6.485   2.640   2.050
   81    HB2  PRO  13           HB2      PRO  13   4.959   1.609   4.363
   82    HB3  PRO  13           HB3      PRO  13   6.234   2.822   4.317
   83    HG2  PRO  13           HG2      PRO  13   3.694   3.507   4.748
   84    HG3  PRO  13           HG3      PRO  13   4.791   4.536   3.803
   85    HD2  PRO  13           HD2      PRO  13   2.638   2.688   2.857
   86    HD3  PRO  13           HD3      PRO  13   3.102   4.291   2.254
   87    H    THR  14           H        THR  14   3.715   0.472   2.107
   88    HA   THR  14           HA       THR  14   5.010  -1.871   2.890
   89    HB   THR  14           HB       THR  14   2.610  -1.840   1.080
   90    HG1  THR  14           HG1      THR  14   1.419  -0.987   2.657
   91   HG21  THR  14          HG21      THR  14   3.687  -3.626   3.230
   92   HG22  THR  14          HG22      THR  14   3.117  -4.043   1.614
   93   HG23  THR  14          HG23      THR  14   1.960  -3.610   2.874
   94    HA   PRO  15           HA       PRO  15   7.393  -2.731  -0.820
   95    HB2  PRO  15           HB2      PRO  15   7.930  -5.253   0.630
   96    HB3  PRO  15           HB3      PRO  15   9.063  -4.052   0.005
   97    HG2  PRO  15           HG2      PRO  15   8.634  -4.269   2.613
   98    HG3  PRO  15           HG3      PRO  15   8.833  -2.677   1.856
   99    HD2  PRO  15           HD2      PRO  15   6.304  -4.074   2.677
  100    HD3  PRO  15           HD3      PRO  15   6.784  -2.383   2.937
  101    H    GLY  16           H        GLY  16   5.253  -5.119   0.728
  102    HA2  GLY  16           HA2      GLY  16   5.125  -6.770  -1.609
  103    HA3  GLY  16           HA3      GLY  16   4.164  -6.956  -0.152
  104    H    CYS  17           H        CYS  17   3.353  -4.059  -0.466
  105    HA   CYS  17           HA       CYS  17   1.095  -4.559  -2.228
  106    HB2  CYS  17           HB2      CYS  17   0.679  -3.664   0.008
  107    HB3  CYS  17           HB3      CYS  17   1.714  -2.288  -0.330
  108    H    ASP  18           H        ASP  18   0.407  -2.611  -3.596
  109    HA   ASP  18           HA       ASP  18   2.802  -1.502  -4.916
  110    HB2  ASP  18           HB2      ASP  18   2.007  -2.022  -7.008
  111    HB3  ASP  18           HB3      ASP  18   1.335  -3.364  -6.088
  112    H    GLY  19           H        GLY  19  -0.214  -0.856  -3.473
  113    HA2  GLY  19           HA2      GLY  19  -0.692   1.379  -2.771
  114    HA3  GLY  19           HA3      GLY  19   0.114   1.970  -4.215
  115    H    SER  20           H        SER  20  -1.722  -0.532  -5.282
  116    HA   SER  20           HA       SER  20  -3.908   1.296  -5.993
  117    HB2  SER  20           HB2      SER  20  -3.340  -1.385  -7.253
  118    HB3  SER  20           HB3      SER  20  -4.322  -0.068  -7.897
  119    HG   SER  20           HG       SER  20  -1.547  -0.382  -7.831
  120    H    GLY  21           H        GLY  21  -5.960   0.924  -5.395
  121    HA2  GLY  21           HA2      GLY  21  -7.794  -0.316  -4.648
  122    HA3  GLY  21           HA3      GLY  21  -6.724  -1.674  -4.337
  123    H    HIS  22           H        HIS  22  -8.196  -1.638  -2.410
  124    HA   HIS  22           HA       HIS  22  -6.721  -0.579  -0.166
  125    HB2  HIS  22           HB2      HIS  22  -9.376   0.537  -0.933
  126    HB3  HIS  22           HB3      HIS  22  -9.155   0.145   0.762
  127    HD1  HIS  22           HD1      HIS  22  -8.249   1.963   2.147
  128    HD2  HIS  22           HD2      HIS  22  -7.251   2.455  -1.862
  129    HE1  HIS  22           HE1      HIS  22  -7.159   4.218   1.992
  130    HE2  HIS  22           HE2      HIS  22  -6.708   4.571  -0.461
  131    H    ILE  23           H        ILE  23  -7.310  -1.690   1.804
  132    HA   ILE  23           HA       ILE  23  -8.368  -4.324   1.391
  133    HB   ILE  23           HB       ILE  23  -6.977  -2.928   3.505
  134   HG12  ILE  23          HG12      ILE  23  -5.980  -4.836   2.553
  135   HG13  ILE  23          HG13      ILE  23  -6.479  -5.345   4.161
  136   HG21  ILE  23          HG21      ILE  23  -8.161  -4.585   5.251
  137   HG22  ILE  23          HG22      ILE  23  -8.617  -2.891   5.052
  138   HG23  ILE  23          HG23      ILE  23  -9.551  -4.156   4.253
  139   HD11  ILE  23          HD11      ILE  23  -8.605  -6.203   2.972
  140   HD12  ILE  23          HD12      ILE  23  -7.629  -6.085   1.509
  141   HD13  ILE  23          HD13      ILE  23  -7.106  -7.124   2.836
  142    H    THR  24           H        THR  24  -9.590  -1.255   2.449
  143    HA   THR  24           HA       THR  24 -12.026  -2.163   3.574
  144    HB   THR  24           HB       THR  24 -11.057   0.082   4.013
  145    HG1  THR  24           HG1      THR  24 -13.505  -0.530   3.966
  146   HG21  THR  24          HG21      THR  24 -10.256   0.786   1.903
  147   HG22  THR  24          HG22      THR  24 -11.596   1.864   2.295
  148   HG23  THR  24          HG23      THR  24 -11.832   0.549   1.143
  149    H    GLY  25           H        GLY  25 -10.947  -1.781   0.322
  150    HA2  GLY  25           HA2      GLY  25 -11.970  -2.191  -1.690
  151    HA3  GLY  25           HA3      GLY  25 -13.228  -3.007  -0.772
  152    H    ASN  26           H        ASN  26 -12.253   0.386  -0.639
  153    HA   ASN  26           HA       ASN  26 -14.900   1.146  -1.664
  154    HB2  ASN  26           HB2      ASN  26 -13.626   1.799   0.958
  155    HB3  ASN  26           HB3      ASN  26 -14.656   3.008   0.204
  156   HD21  ASN  26          HD21      ASN  26 -14.701   0.826   2.483
  157   HD22  ASN  26          HD22      ASN  26 -16.324   0.252   2.367
  158    H    TYR  27           H        TYR  27 -11.781   1.368  -2.360
  159    HA   TYR  27           HA       TYR  27 -11.996   4.141  -3.299
  160    HB2  TYR  27           HB2      TYR  27  -9.707   2.875  -1.797
  161    HB3  TYR  27           HB3      TYR  27  -9.534   4.343  -2.737
  162    HD1  TYR  27           HD2      TYR  27 -11.029   2.867   0.274
  163    HD2  TYR  27           HD1      TYR  27 -10.468   6.430  -1.985
  164    HE1  TYR  27           HE2      TYR  27 -11.816   4.198   2.183
  165    HE2  TYR  27           HE1      TYR  27 -11.252   7.767  -0.082
  166    HH   TYR  27           HH       TYR  27 -12.606   7.520   1.893
  167    H    ALA  28           H        ALA  28  -9.623   4.420  -4.548
  168    HA   ALA  28           HA       ALA  28  -9.673   2.290  -6.585
  169    HB1  ALA  28           HB1      ALA  28  -9.636   5.208  -6.780
  170    HB2  ALA  28           HB2      ALA  28  -8.444   4.406  -7.803
  171    HB3  ALA  28           HB3      ALA  28 -10.155   3.998  -7.956
  172    H    SER  29           H        SER  29  -7.598   4.508  -4.745
  173    HA   SER  29           HA       SER  29  -5.501   2.557  -4.643
  174    HB2  SER  29           HB2      SER  29  -3.953   4.589  -5.650
  175    HB3  SER  29           HB3      SER  29  -4.487   3.183  -6.571
  176    HG   SER  29           HG       SER  29  -6.015   4.363  -7.549
  177    H    HIS  30           H        HIS  30  -3.429   3.747  -3.702
  178    HA   HIS  30           HA       HIS  30  -4.072   5.940  -1.921
  179    HB2  HIS  30           HB2      HIS  30  -3.376   4.664   0.091
  180    HB3  HIS  30           HB3      HIS  30  -4.866   4.050  -0.611
  181    HD1  HIS  30           HD1      HIS  30  -4.709   1.683  -1.816
  182    HD2  HIS  30           HD2      HIS  30  -1.252   2.936   0.135
  183    HE1  HIS  30           HE1      HIS  30  -3.173  -0.329  -1.692
  184    H    ARG  31           H        ARG  31  -1.874   5.791  -0.245
  185    HA   ARG  31           HA       ARG  31   0.503   5.265  -1.803
  186    HB2  ARG  31           HB2      ARG  31  -0.633   7.728  -2.185
  187    HB3  ARG  31           HB3      ARG  31   0.501   8.053  -0.880
  188    HG2  ARG  31           HG2      ARG  31   1.748   6.454  -2.905
  189    HG3  ARG  31           HG3      ARG  31   1.043   7.909  -3.612
  190    HD2  ARG  31           HD2      ARG  31   2.960   7.799  -1.283
  191    HD3  ARG  31           HD3      ARG  31   3.348   8.309  -2.925
  192    HE   ARG  31           HE       ARG  31   1.489  10.068  -2.400
  193   HH11  ARG  31          HH12      ARG  31   3.947   8.852  -0.220
  194   HH12  ARG  31          HH11      ARG  31   4.053  10.328   0.695
  195   HH21  ARG  31          HH22      ARG  31   1.604  12.016  -1.178
  196   HH22  ARG  31          HH21      ARG  31   2.697  12.110   0.173
  197    H    SER  32           H        SER  32  -0.956   4.975   0.950
  198    HA   SER  32           HA       SER  32   1.514   5.054   2.485
  199    HB2  SER  32           HB2      SER  32  -0.595   5.915   4.224
  200    HB3  SER  32           HB3      SER  32   0.906   6.744   3.821
  201    HG   SER  32           HG       SER  32  -0.090   7.881   2.289
  202    H    LEU  33           H        LEU  33   1.199   3.906   4.650
  203    HA   LEU  33           HA       LEU  33  -0.003   1.379   4.154
  204    HB2  LEU  33           HB2      LEU  33   1.790   2.583   6.087
  205    HB3  LEU  33           HB3      LEU  33   0.643   1.508   6.864
  206    HG   LEU  33           HG       LEU  33   2.118   0.554   4.459
  207   HD11  LEU  33          HD11      LEU  33   3.425   1.542   6.751
  208   HD12  LEU  33          HD12      LEU  33   3.493  -0.219   6.836
  209   HD13  LEU  33          HD13      LEU  33   4.115   0.620   5.414
  210   HD21  LEU  33          HD21      LEU  33   1.878  -1.595   5.588
  211   HD22  LEU  33          HD22      LEU  33   1.150  -0.795   6.982
  212   HD23  LEU  33          HD23      LEU  33   0.313  -0.797   5.429
  213    H    SER  34           H        SER  34  -1.895   3.620   4.300
  214    HA   SER  34           HA       SER  34  -3.429   2.979   6.709
  215    HB2  SER  34           HB2      SER  34  -4.556   5.031   4.983
  216    HB3  SER  34           HB3      SER  34  -4.093   5.126   6.682
  217    HG   SER  34           HG       SER  34  -1.909   5.405   5.969
  218    H    GLY  35           H        GLY  35  -3.320   2.379   3.341
  219    HA2  GLY  35           HA2      GLY  35  -5.945   1.078   3.524
  220    HA3  GLY  35           HA3      GLY  35  -5.657   2.233   2.233
  221    H    CYS  36           H        CYS  36  -3.093   0.155   3.317
  222    HA   CYS  36           HA       CYS  36  -2.689  -0.944   0.744
  223    HB2  CYS  36           HB2      CYS  36  -1.583  -1.554   3.475
  224    HB3  CYS  36           HB3      CYS  36  -1.137  -2.521   2.066
  225    HA   PRO  37           HA       PRO  37  -5.719  -4.259   1.152
  226    HB2  PRO  37           HB2      PRO  37  -5.396  -5.216  -1.365
  227    HB3  PRO  37           HB3      PRO  37  -6.368  -3.784  -1.010
  228    HG2  PRO  37           HG2      PRO  37  -3.589  -3.975  -2.081
  229    HG3  PRO  37           HG3      PRO  37  -4.889  -2.851  -2.521
  230    HD2  PRO  37           HD2      PRO  37  -2.808  -2.199  -0.857
  231    HD3  PRO  37           HD3      PRO  37  -4.403  -1.429  -0.799
  232    H    ARG  38           H        ARG  38  -2.373  -4.261   0.613
  233    HA   ARG  38           HA       ARG  38  -2.221  -7.135   1.223
  234    HB2  ARG  38           HB2      ARG  38  -0.422  -5.441  -0.504
  235    HB3  ARG  38           HB3      ARG  38   0.111  -6.971   0.180
  236    HG2  ARG  38           HG2      ARG  38  -0.988  -8.148  -1.354
  237    HG3  ARG  38           HG3      ARG  38  -2.452  -7.174  -1.172
  238    HD2  ARG  38           HD2      ARG  38  -0.583  -5.507  -2.409
  239    HD3  ARG  38           HD3      ARG  38  -0.417  -7.068  -3.207
  240    HE   ARG  38           HE       ARG  38  -3.080  -6.724  -3.214
  241   HH11  ARG  38          HH12      ARG  38  -0.464  -4.589  -4.113
  242   HH12  ARG  38          HH11      ARG  38  -1.396  -3.713  -5.294
  243   HH21  ARG  38          HH22      ARG  38  -4.312  -5.611  -4.759
  244   HH22  ARG  38          HH21      ARG  38  -3.582  -4.342  -5.697
  245    H    ALA  39           H        ALA  39  -2.576  -5.238   3.179
  246    HA   ALA  39           HA       ALA  39  -0.370  -4.049   4.321
  247    HB1  ALA  39           HB1      ALA  39  -2.125  -5.240   6.312
  248    HB2  ALA  39           HB2      ALA  39  -1.778  -3.544   5.973
  249    HB3  ALA  39           HB3      ALA  39  -3.000  -4.399   5.032
  250    H    LYS  40           H        LYS  40   1.264  -4.659   5.622
  251    HA   LYS  40           HA       LYS  40   2.294  -7.217   5.329
  252    HB2  LYS  40           HB2      LYS  40   3.234  -5.650   7.668
  253    HB3  LYS  40           HB3      LYS  40   4.159  -6.451   6.407
  254    HG2  LYS  40           HG2      LYS  40   2.956  -4.453   5.004
  255    HG3  LYS  40           HG3      LYS  40   3.189  -3.694   6.581
  256    HD2  LYS  40           HD2      LYS  40   5.470  -5.213   5.442
  257    HD3  LYS  40           HD3      LYS  40   5.064  -3.669   4.691
  258    HE2  LYS  40           HE2      LYS  40   5.336  -3.880   7.664
  259    HE3  LYS  40           HE3      LYS  40   6.770  -3.728   6.651
  260    HZ1  LYS  40           HZ1      LYS  40   5.993  -1.658   5.817
  261    HZ2  LYS  40           HZ2      LYS  40   5.881  -1.594   7.508
  262    HZ3  LYS  40           HZ3      LYS  40   4.486  -1.838   6.576
  263    H    LYS  41           H        LYS  41   0.176  -5.977   7.758
  264    HA   LYS  41           HA       LYS  41  -0.937  -6.909   9.487
  265    HB2  LYS  41           HB2      LYS  41   0.029  -9.468   8.215
  266    HB3  LYS  41           HB3      LYS  41  -1.027  -9.435   9.620
  267    HG2  LYS  41           HG2      LYS  41  -1.640  -8.307   6.896
  268    HG3  LYS  41           HG3      LYS  41  -2.307  -9.782   7.595
  269    HD2  LYS  41           HD2      LYS  41  -2.633  -7.219   9.082
  270    HD3  LYS  41           HD3      LYS  41  -3.637  -7.506   7.662
  271    HE2  LYS  41           HE2      LYS  41  -3.648  -9.870   9.223
  272    HE3  LYS  41           HE3      LYS  41  -3.950  -8.511  10.305
  273    HZ1  LYS  41           HZ1      LYS  41  -5.421  -8.554   7.786
  274    HZ2  LYS  41           HZ2      LYS  41  -5.918  -8.044   9.325
  275    HZ3  LYS  41           HZ3      LYS  41  -5.872  -9.698   8.957
  276    H    SER  42           H        SER  42   1.652  -9.332   9.426
  277    HA   SER  42           HA       SER  42   2.311  -8.915  12.171
  278    HB2  SER  42           HB2      SER  42   4.433 -10.191  10.706
  279    HB3  SER  42           HB3      SER  42   3.320 -10.903  11.873
  280    HG   SER  42           HG       SER  42   1.918 -11.406  10.252
  281    H    GLY  43           H        GLY  43   2.907  -6.813  12.538
  282    HA2  GLY  43           HA2      GLY  43   4.361  -5.021  12.645
  283    HA3  GLY  43           HA3      GLY  43   5.519  -5.944  11.693
  284    H    LEU  44           H        LEU  44   2.256  -4.566  11.235
  285    HA   LEU  44           HA       LEU  44   2.749  -4.244   8.446
  286    HB2  LEU  44           HB2      LEU  44   0.519  -2.951   8.545
  287    HB3  LEU  44           HB3      LEU  44   0.523  -4.676   8.843
  288    HG   LEU  44           HG       LEU  44   0.764  -3.726  11.382
  289   HD11  LEU  44          HD11      LEU  44   0.371  -1.408  10.171
  290   HD12  LEU  44          HD12      LEU  44  -1.314  -1.914  10.279
  291   HD13  LEU  44          HD13      LEU  44  -0.343  -1.765  11.743
  292   HD21  LEU  44          HD21      LEU  44  -1.808  -4.161   9.867
  293   HD22  LEU  44          HD22      LEU  44  -0.798  -5.432  10.556
  294   HD23  LEU  44          HD23      LEU  44  -1.591  -4.265  11.615
  295    H    ARG  45           H        ARG  45   2.590  -1.974  11.175
  296    HA   ARG  45           HA       ARG  45   3.793   0.017   9.373
  297    HB2  ARG  45           HB2      ARG  45   1.259   0.271  10.153
  298    HB3  ARG  45           HB3      ARG  45   2.034   0.984  11.561
  299    HG2  ARG  45           HG2      ARG  45   3.349   2.232   9.532
  300    HG3  ARG  45           HG3      ARG  45   1.737   2.026   8.843
  301    HD2  ARG  45           HD2      ARG  45   1.480   4.034   9.914
  302    HD3  ARG  45           HD3      ARG  45   0.964   2.922  11.179
  303    HE   ARG  45           HE       ARG  45   3.516   3.161  11.804
  304   HH11  ARG  45          HH12      ARG  45   1.214   5.623  10.861
  305   HH12  ARG  45          HH11      ARG  45   2.012   6.892  11.746
  306   HH21  ARG  45          HH22      ARG  45   4.550   4.814  13.006
  307   HH22  ARG  45          HH21      ARG  45   3.897   6.427  12.979
  308    H    VAL  46           H        VAL  46   5.213  -1.696  11.054
  309    HA   VAL  46           HA       VAL  46   6.417   0.311  12.815
  310    HB   VAL  46           HB       VAL  46   7.185  -1.962  14.083
  311   HG11  VAL  46          HG11      VAL  46   4.874  -1.220  15.446
  312   HG12  VAL  46          HG12      VAL  46   6.501  -0.577  15.680
  313   HG13  VAL  46          HG13      VAL  46   5.382   0.234  14.585
  314   HG21  VAL  46          HG21      VAL  46   4.520  -2.493  12.871
  315   HG22  VAL  46          HG22      VAL  46   5.857  -3.599  13.194
  316   HG23  VAL  46          HG23      VAL  46   4.825  -3.053  14.516