*HEADER    PROTEIN FIBRIL, METAL BINDING PROTEIN   06-NOV-13   2MGT              
*TITLE     ZINC INDUCED DIMER OF THE METAL BINDING DOMAIN 1-16 OF HUMAN AMYLOID  
*TITLE    2 BETA-PEPTIDE WITH ALZHEIMER'S DISEASE PATHOGENIC ENGLISH MUTATION H6R
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AMYLOID BETA A4 PROTEIN;                                   
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 FRAGMENT: METAL BINDING DOMAIN, UNP RESIDUES 672-687;                
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606;                                                
*SOURCE   6 OTHER_DETAILS: PURCHASED FROM BIOPEPTIDE CO., LLC (SAN DIEGO, CA,    
*SOURCE   7 USA)                                                                 
*KEYWDS    ALZHEIMER'S DISEASE, HUMAN AMYLOID -PEPTIDE, ZINC BINDING, PROTEIN    
*KEYWDS   2 FIBRIL, METAL BINDING PROTEIN                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    V.POLSHAKOV, A.ISTRATE, S.KOZIN                                       
*REVDAT   1   12-NOV-14 2MGT    0                                                


!Long range NOEs chain A
assign (resid   5 and segid A  and name Hd* ) (resid  12 and segid A  and name Ha  )  5.0  5.0  0.0 !  269 AbH6R_    
assign (resid  12 and segid A  and name Ha  ) (resid   4 and segid A  and name Hd* )  5.5  5.5  0.0 !  188 AbH6R_ 
assign (resid  15 and segid A  and name Hb1 ) (resid  10 and segid A  and name Hd* )  5.5  5.5  0.0 !  230 AbH6R_ 
assign (resid  15 and segid A  and name Hg* ) (resid  10 and segid A  and name Hd* )  5.5  5.5  0.0 !  175 AbH6R_ 

!Medium-range NOEs chain A
assign (resid  12 and segid A  and name Ha  ) (resid  10 and segid A  and name Hb2 )  5.5  5.5  0.0 !  267 AbH6R_ 
assign (resid  12 and segid A  and name Ha  ) (resid  10 and segid A  and name Hb1 )  4.5  4.5  0.0 !  268 AbH6R_ 
assign (resid   1 and segid A  and name Hb1 ) (resid   4 and segid A  and name H   )  4.5  4.5  0.0 !  123 AbH6R_
assign (resid   1 and segid A  and name Hb1 ) (resid   4 and segid A  and name Hd* )  4.5  4.5  0.0 !  139 AbH6R_
assign (resid   2 and segid A  and name Hb* ) (resid   4 and segid A  and name H   )  4.5  4.5  0.0 !   79 AbH6R_
assign (resid   2 and segid A  and name Hb* ) (resid   6 and segid A  and name Hd* )  5.5  5.5  0.0 !  262 AbH6R_
assign (resid   3 and segid A  and name Hg2 ) (resid   6 and segid A  and name He  )  5.5  5.5  0.0 !  160 AbH6R_
assign (resid   3 and segid A  and name Hg1 ) (resid   6 and segid A  and name He  )  6.0  6.0  0.0 !  162 AbH6R_
assign (resid   4 and segid A  and name Ha  ) (resid   6 and segid A  and name He  )  4.5  4.5  0.0 !  185 AbH6R_
assign (resid   4 and segid A  and name Hd* ) (resid   6 and segid A  and name H   )  5.0  5.0  0.0 !  108 AbH6R_
assign (resid   6 and segid A  and name Hg2 ) (resid   4 and segid A  and name Hd* )  5.0  5.0  0.0 !  168 AbH6R_
assign (resid   6 and segid A  and name Hg2 ) (resid   4 and segid A  and name Ha  )  5.5  5.5  0.0 !  212 AbH6R_
assign (resid   6 and segid A  and name Hb2 ) (resid   4 and segid A  and name Hd* )  6.0  6.0  0.0 !  170 AbH6R_
assign (resid   6 and segid A  and name Hb2 ) (resid  10 and segid A  and name He* )  4.5  4.5  0.0 !  228 AbH6R_
assign (resid   6 and segid A  and name Hg2 ) (resid  10 and segid A  and name He* )  4.5  4.5  0.0 !  178 AbH6R_
assign (resid   8 and segid A  and name Ha  ) (resid  10 and segid A  and name Hd* )  6.0  6.0  0.0 !  183 AbH6R_
assign (resid  11 and segid A  and name Hg* ) (resid  13 and segid A  and name H   )  5.0  5.0  0.0 !  138 AbH6R_
assign (resid  11 and segid A  and name Ha  ) (resid  13 and segid A  and name H   )  4.0  4.0  0.0 !   19 AbH6R_
assign (resid   9 and segid A  and name Ha* ) (resid  10 and segid A  and name He* )  3.5  3.5  0.0 !  181 AbH6R_
assign (resid  12 and segid A  and name Hg1*) (resid  10 and segid A  and name Hd* )  4.5  4.5  0.0 !  242 AbH6R_
assign (resid  12 and segid A  and name Hg2*) (resid  10 and segid A  and name Hd* )  5.5  5.5  0.0 !  241 AbH6R_
assign (resid  12 and segid A  and name Hg1*) (resid  10 and segid A  and name He* )  4.5  4.5  0.0 !  240 AbH6R_
assign (resid  12 and segid A  and name Hg2*) (resid  10 and segid A  and name He* )  4.5  4.5  0.0 !  239 AbH6R_
assign (resid  12 and segid A  and name H   ) (resid  14 and segid A  and name H   )  4.5  4.5  0.0 !   21 AbH6R_

!Sequential NOEs  chain A
assign (resid   1 and segid A  and name Hb2 ) (resid   2 and segid A  and name H   )  4.5  4.5  0.0 !  124 AbH6R_
assign (resid   1 and segid A  and name Ha  ) (resid   2 and segid A  and name H   )  3.5  3.5  0.0 !   17 AbH6R_
assign (resid   1 and segid A  and name Hb1 ) (resid   2 and segid A  and name H   )  3.5  3.5  0.0 !  125 AbH6R_
assign (resid   2 and segid A  and name Hb* ) (resid   1 and segid A  and name Ha  )  5.5  5.5  0.0 !  211 AbH6R_
assign (resid   2 and segid A  and name Hb* ) (resid   1 and segid A  and name Hb1 )  5.5  5.5  0.0 !  258 AbH6R_
assign (resid   2 and segid A  and name Hb* ) (resid   3 and segid A  and name Hg1 )  5.5  5.5  0.0 !  265 AbH6R_
assign (resid   2 and segid A  and name Ha  ) (resid   3 and segid A  and name H   )  3.5  3.5  0.0 !   18 AbH6R_
assign (resid   2 and segid A  and name Hb* ) (resid   3 and segid A  and name Hg2 )  4.0  4.0  0.0 !  266 AbH6R_
assign (resid   2 and segid A  and name Hb* ) (resid   3 and segid A  and name H   )  3.5  3.5  0.0 !   80 AbH6R_
assign (resid   3 and segid A  and name Hg1 ) (resid   4 and segid A  and name Hd* )  4.5  4.5  0.0 !  159 AbH6R_
assign (resid   3 and segid A  and name Ha  ) (resid   4 and segid A  and name H   )  3.5  3.5  0.0 !   19 AbH6R_
assign (resid   3 and segid A  and name Ha  ) (resid   4 and segid A  and name Hd* )  5.0  5.0  0.0 !  186 AbH6R_
assign (resid   3 and segid A  and name Hg2 ) (resid   4 and segid A  and name H   )  5.5  5.5  0.0 !   64 AbH6R_
assign (resid   3 and segid A  and name Hb* ) (resid   4 and segid A  and name H   )  3.5  3.5  0.0 !   47 AbH6R_
assign (resid   3 and segid A  and name Hb* ) (resid   4 and segid A  and name Hd* )  4.5  4.5  0.0 !  156 AbH6R_
assign (resid   3 and segid A  and name Hg2 ) (resid   4 and segid A  and name Hd* )  5.5  5.5  0.0 !  158 AbH6R_
assign (resid   3 and segid A  and name Ha  ) (resid   4 and segid A  and name Ha  )  5.5  5.5  0.0 !  246 AbH6R_
assign (resid   3 and segid A  and name Hg1 ) (resid   4 and segid A  and name H   )  3.5  3.5  0.0 !   63 AbH6R_
assign (resid   4 and segid A  and name He* ) (resid   3 and segid A  and name H   )  5.5  5.5  0.0 !  140 AbH6R_
assign (resid   4 and segid A  and name Hd* ) (resid   3 and segid A  and name H   )  5.5  5.5  0.0 !  107 AbH6R_
assign (resid   4 and segid A  and name H   ) (resid   3 and segid A  and name H   )  3.5  3.5  0.0 !  238 AbH6R_
assign (resid   4 and segid A  and name Ha  ) (resid   5 and segid A  and name H   )  3.5  3.5  0.0 !   20 AbH6R_
assign (resid   5 and segid A  and name Hb2 ) (resid   4 and segid A  and name Ha  )  5.5  5.5  0.0 !  213 AbH6R_
assign (resid   5 and segid A  and name Ha  ) (resid   6 and segid A  and name H   )  3.5  3.5  0.0 !   23 AbH6R_
assign (resid   6 and segid A  and name Ha  ) (resid   7 and segid A  and name H   )  3.5  3.5  0.0 !   25 AbH6R_
assign (resid   6 and segid A  and name Ha  ) (resid   7 and segid A  and name Ha  )  5.5  5.5  0.0 !  247 AbH6R_
assign (resid   7 and segid A  and name Ha  ) (resid   8 and segid A  and name H   )  3.5  3.5  0.0 !   26 AbH6R_
assign (resid   7 and segid A  and name Hb* ) (resid   8 and segid A  and name H   )  3.5  3.5  0.0 !   75 AbH6R_
assign (resid   8 and segid A  and name Ha  ) (resid   9 and segid A  and name H   )  4.5  4.5  0.0 !   27 AbH6R_
assign (resid   9 and segid A  and name Ha* ) (resid  10 and segid A  and name H   )  3.5  3.5  0.0 !   28 AbH6R_
assign (resid  10 and segid A  and name H   ) (resid   9 and segid A  and name H   )  4.0  4.0  0.0 !  119 AbH6R_
assign (resid  10 and segid A  and name Hb1 ) (resid  11 and segid A  and name H   )  3.5  3.5  0.0 !  114 AbH6R_
assign (resid  10 and segid A  and name Hb2 ) (resid  11 and segid A  and name H   )  4.5  4.5  0.0 !  113 AbH6R_
assign (resid  10 and segid A  and name Hd* ) (resid  11 and segid A  and name H   )  4.5  4.5  0.0 !   99 AbH6R_
assign (resid  10 and segid A  and name He* ) (resid  11 and segid A  and name H   )  4.0  4.0  0.0 !   66 AbH6R_
assign (resid  10 and segid A  and name H   ) (resid  11 and segid A  and name H   )  4.5  4.5  0.0 !  235 AbH6R_
assign (resid  10 and segid A  and name Ha  ) (resid  11 and segid A  and name H   )  2.5  2.5  0.0 !  130 AbH6R_
assign (resid  11 and segid A  and name Hb1 ) (resid  10 and segid A  and name H   )  6.0  6.0  0.0 !  131 AbH6R_    
assign (resid  11 and segid A  and name Ha  ) (resid  10 and segid A  and name H   )  4.5  4.5  0.0 !  128 AbH6R_
assign (resid  11 and segid A  and name Hb2 ) (resid  10 and segid A  and name Hd* )  5.5  5.5  0.0 !  227 AbH6R_
assign (resid  11 and segid A  and name Hb1 ) (resid  10 and segid A  and name Hd* )  4.5  4.5  0.0 !  226 AbH6R_
assign (resid  11 and segid A  and name Hb2 ) (resid  10 and segid A  and name H   )  5.5  5.5  0.0 !   76 AbH6R_
assign (resid  11 and segid A  and name Hb1 ) (resid  10 and segid A  and name He* )  6.0  6.0  0.0 !  176 AbH6R_
assign (resid  11 and segid A  and name Ha  ) (resid  12 and segid A  and name H   )  3.5  3.5  0.0 !   31 AbH6R_
assign (resid  12 and segid A  and name Ha  ) (resid  13 and segid A  and name H   )  3.5  3.5  0.0 !   32 AbH6R_
assign (resid  12 and segid A  and name Hb  ) (resid  13 and segid A  and name H   )  3.5  3.5  0.0 !  137 AbH6R_
assign (resid  12 and segid A  and name Hg2*) (resid  13 and segid A  and name Ha  )  5.5  5.5  0.0 !  122 AbH6R_
assign (resid  12 and segid A  and name Hg1*) (resid  13 and segid A  and name Ha  )  5.0  5.0  0.0 !  123 AbH6R_
assign (resid  12 and segid A  and name Ha  ) (resid  13 and segid A  and name Ha  )  4.5  4.5  0.0 !  121 AbH6R_
assign (resid  14 and segid A  and name Ha  ) (resid  15 and segid A  and name H   )  3.5  3.5  0.0 !  132 AbH6R_
assign (resid  14 and segid A  and name H   ) (resid  15 and segid A  and name H   )  3.5  3.5  0.0 !  236 AbH6R_
assign (resid  15 and segid A  and name Ha  ) (resid  16 and segid A  and name H   )  4.5  4.5  0.0 !   41 AbH6R_
assign (resid  15 and segid A  and name Hb1 ) (resid  16 and segid A  and name H   )  3.5  3.5  0.0 !   83 AbH6R_
assign (resid  15 and segid A  and name Hb2 ) (resid  16 and segid A  and name H   )  3.5  3.5  0.0 !   47 AbH6R_
assign (resid  16 and segid A  and name Hg1 ) (resid  15 and segid A  and name Hg* )  6.0  6.0  0.0 !  260 AbH6R_

!Intra-residue NOEs chain A
assign (resid   1 and segid A  and name Ha  ) (resid   1 and segid A  and name Hb1 )  3.5  3.5  0.0 !  216 AbH6R_
assign (resid   3 and segid A  and name Ha  ) (resid   3 and segid A  and name Hb* )  3.5  3.5  0.0 !  194 AbH6R_
assign (resid   4 and segid A  and name Ha  ) (resid   4 and segid A  and name Hb* )  3.5  3.5  0.0 !  217 AbH6R_
assign (resid   5 and segid A  and name Ha  ) (resid   5 and segid A  and name Hb2 )  3.0  3.0  0.0 !  199 AbH6R_
assign (resid   6 and segid A  and name Ha  ) (resid   6 and segid A  and name Hb2 )  3.0  3.0  0.0 !  202 AbH6R_    
assign (resid   8 and segid A  and name Ha  ) (resid   8 and segid A  and name Hb1 )  3.5  3.5  0.0 !  245 AbH6R_
assign (resid   8 and segid A  and name Ha  ) (resid   8 and segid A  and name Hb2 )  3.5  3.5  0.0 !  244 AbH6R_
assign (resid  10 and segid A  and name Ha  ) (resid  10 and segid A  and name Hb2 )  4.5  4.5  0.0 !  218 AbH6R_
assign (resid  10 and segid A  and name Ha  ) (resid  10 and segid A  and name Hb1 )  3.5  3.5  0.0 !  124 AbH6R_
assign (resid  15 and segid A  and name Ha  ) (resid  15 and segid A  and name Hb2 )  4.5  4.5  0.0 !   99 AbH6R_
assign (resid  15 and segid A  and name Ha  ) (resid  15 and segid A  and name Hb1 )  2.5  2.5  0.0 !  100 AbH6R_
assign (resid   1 and segid A  and name Hb2 ) (resid   1 and segid A  and name H   )  3.5  3.5  0.0 !  111 AbH6R_
assign (resid   1 and segid A  and name Ha  ) (resid   1 and segid A  and name H   )  3.5  3.5  0.0 !   33 AbH6R_
assign (resid   1 and segid A  and name Hb1 ) (resid   1 and segid A  and name H   )  3.5  3.5  0.0 !  112 AbH6R_
assign (resid   2 and segid A  and name Ha  ) (resid   2 and segid A  and name H   )  3.5  3.5  0.0 !   15 AbH6R_
assign (resid   2 and segid A  and name Hb* ) (resid   2 and segid A  and name H   )  3.5  3.5  0.0 !   78 AbH6R_
assign (resid   3 and segid A  and name Hg1 ) (resid   3 and segid A  and name Ha  )  4.5  4.5  0.0 !  193 AbH6R_
assign (resid   3 and segid A  and name Hg2 ) (resid   3 and segid A  and name H   )  4.5  4.5  0.0 !   68 AbH6R_
assign (resid   3 and segid A  and name Hg2 ) (resid   3 and segid A  and name Ha  )  4.5  4.5  0.0 !  192 AbH6R_
assign (resid   3 and segid A  and name Hb* ) (resid   3 and segid A  and name H   )  3.5  3.5  0.0 !   67 AbH6R_
assign (resid   3 and segid A  and name Hg1 ) (resid   3 and segid A  and name H   )  4.5  4.5  0.0 !   69 AbH6R_
assign (resid   3 and segid A  and name Ha  ) (resid   3 and segid A  and name H   )  3.5  3.5  0.0 !    5 AbH6R_
assign (resid   4 and segid A  and name Hb* ) (resid   4 and segid A  and name H   )  2.5  2.5  0.0 !   62 AbH6R_
assign (resid   4 and segid A  and name He* ) (resid   4 and segid A  and name H   )  4.5  4.5  0.0 !  106 AbH6R_
assign (resid   4 and segid A  and name Hd* ) (resid   4 and segid A  and name H   )  3.5  3.5  0.0 !  105 AbH6R_
assign (resid   4 and segid A  and name Ha  ) (resid   4 and segid A  and name Hd* )  3.5  3.5  0.0 !  184 AbH6R_
assign (resid   4 and segid A  and name Ha  ) (resid   4 and segid A  and name H   )  3.5  3.5  0.0 !    8 AbH6R_
assign (resid   4 and segid A  and name Hb* ) (resid   4 and segid A  and name Hd* )  2.5  2.5  0.0 !  135 AbH6R_
assign (resid   5 and segid A  and name Hg2 ) (resid   5 and segid A  and name He  )  4.5  4.5  0.0 !  152 AbH6R_
assign (resid   5 and segid A  and name Hg1 ) (resid   5 and segid A  and name He  )  4.5  4.5  0.0 !  153 AbH6R_
assign (resid   5 and segid A  and name Hb1 ) (resid   5 and segid A  and name H   )  3.5  3.5  0.0 !   66 AbH6R_
assign (resid   5 and segid A  and name Ha  ) (resid   5 and segid A  and name He  )  2.5  2.5  0.0 !   21 AbH6R_
assign (resid   5 and segid A  and name Hb2 ) (resid   5 and segid A  and name He  )  5.5  5.5  0.0 !  154 AbH6R_
assign (resid   5 and segid A  and name Hg1 ) (resid   5 and segid A  and name H   )  4.0  4.0  0.0 !   82 AbH6R_
assign (resid   5 and segid A  and name Hd* ) (resid   5 and segid A  and name Ha  )  3.5  3.5  0.0 !  215 AbH6R_
assign (resid   5 and segid A  and name Hg2 ) (resid   5 and segid A  and name Ha  )  6.0  6.0  0.0 !  201 AbH6R_
assign (resid   5 and segid A  and name Hg2 ) (resid   5 and segid A  and name H   )  4.5  4.5  0.0 !   81 AbH6R_
assign (resid   5 and segid A  and name Hb2 ) (resid   5 and segid A  and name H   )  3.5  3.5  0.0 !   77 AbH6R_
assign (resid   5 and segid A  and name Ha  ) (resid   5 and segid A  and name H   )  3.5  3.5  0.0 !    6 AbH6R_
assign (resid   5 and segid A  and name Hb1 ) (resid   5 and segid A  and name He  )  5.5  5.5  0.0 !  155 AbH6R_
assign (resid   6 and segid A  and name Ha  ) (resid   6 and segid A  and name He  )  3.5  3.5  0.0 !   22 AbH6R_
assign (resid   6 and segid A  and name Hg2 ) (resid   6 and segid A  and name He  )  3.5  3.5  0.0 !  167 AbH6R_
assign (resid   6 and segid A  and name Ha  ) (resid   6 and segid A  and name H   )  3.0  3.0  0.0 !   17 AbH6R_
assign (resid   6 and segid A  and name Hb2 ) (resid   6 and segid A  and name Hd* )  3.5  3.5  0.0 !  263 AbH6R_   
assign (resid   6 and segid A  and name Hg2 ) (resid   6 and segid A  and name H   )  2.5  2.5  0.0 !   87 AbH6R_
assign (resid   6 and segid A  and name Hb2 ) (resid   6 and segid A  and name H   )  3.5  3.5  0.0 !   86 AbH6R_
assign (resid   6 and segid A  and name Hb1 ) (resid   6 and segid A  and name Hd* )  2.5  2.5  0.0 !  264 AbH6R_
assign (resid   6 and segid A  and name Hg2 ) (resid   6 and segid A  and name Ha  )  3.0  3.0  0.0 !  200 AbH6R_
assign (resid   6 and segid A  and name Hg2 ) (resid   6 and segid A  and name Hd* )  2.5  2.5  0.0 !  261 AbH6R_
assign (resid   6 and segid A  and name Hb1 ) (resid   6 and segid A  and name H   )  5.5  5.5  0.0 !   85 AbH6R_
assign (resid   6 and segid A  and name Hg1 ) (resid   6 and segid A  and name He  )  6.0  6.0  0.0 !  166 AbH6R_
assign (resid   6 and segid A  and name Hb2 ) (resid   6 and segid A  and name He  )  4.5  4.5  0.0 !  165 AbH6R_
assign (resid   6 and segid A  and name Hg1 ) (resid   6 and segid A  and name H   )  5.5  5.5  0.0 !   94 AbH6R_
assign (resid   6 and segid A  and name Hb1 ) (resid   6 and segid A  and name He  )  4.5  4.5  0.0 !  164 AbH6R_
assign (resid   7 and segid A  and name Ha  ) (resid   7 and segid A  and name H   )  3.5  3.5  0.0 !   24 AbH6R_
assign (resid   8 and segid A  and name Hb1 ) (resid   8 and segid A  and name H   )  3.5  3.5  0.0 !   16 AbH6R_
assign (resid   8 and segid A  and name Hb2 ) (resid   8 and segid A  and name H   )  2.5  2.5  0.0 !   10 AbH6R_
assign (resid   8 and segid A  and name Ha  ) (resid   8 and segid A  and name H   )  3.0  3.0  0.0 !    8 AbH6R_
assign (resid   9 and segid A  and name Ha* ) (resid   9 and segid A  and name H   )  3.5  3.5  0.0 !   11 AbH6R_
assign (resid  10 and segid A  and name Hb1 ) (resid  10 and segid A  and name He* )  4.5  4.5  0.0 !  145 AbH6R_    
assign (resid  10 and segid A  and name Hb2 ) (resid  10 and segid A  and name He* )  6.0  6.0  0.0 !  144 AbH6R_
assign (resid  10 and segid A  and name Ha  ) (resid  10 and segid A  and name H   )  3.0  3.0  0.0 !   68 AbH6R_
assign (resid  10 and segid A  and name Hb1 ) (resid  10 and segid A  and name H   )  3.5  3.5  0.0 !   69 AbH6R_
assign (resid  10 and segid A  and name Hb2 ) (resid  10 and segid A  and name H   )  3.0  3.0  0.0 !   67 AbH6R_
assign (resid  10 and segid A  and name Hd* ) (resid  10 and segid A  and name H   )  4.5  4.5  0.0 !   63 AbH6R_
assign (resid  11 and segid A  and name Hg* ) (resid  11 and segid A  and name H   )  4.0  4.0  0.0 !   70 AbH6R_
assign (resid  11 and segid A  and name Ha  ) (resid  11 and segid A  and name H   )  3.5  3.5  0.0 !   30 AbH6R_
assign (resid  11 and segid A  and name Hb2 ) (resid  11 and segid A  and name H   )  3.0  3.0  0.0 !   84 AbH6R_
assign (resid  11 and segid A  and name Hb1 ) (resid  11 and segid A  and name H   )  3.5  3.5  0.0 !   73 AbH6R_
assign (resid  12 and segid A  and name Hg1*) (resid  12 and segid A  and name Ha  )  2.5  2.5  0.0 !   26 AbH6R_
assign (resid  12 and segid A  and name Hg2*) (resid  12 and segid A  and name Ha  )  3.5  3.5  0.0 !  254 AbH6R_
assign (resid  12 and segid A  and name Ha  ) (resid  12 and segid A  and name H   )  2.5  2.5  0.0 !  115 AbH6R_
assign (resid  12 and segid A  and name Ha  ) (resid  12 and segid A  and name Hg1*)  2.5  2.5  0.0 !   40 AbH6R_
assign (resid  13 and segid A  and name Hb* ) (resid  13 and segid A  and name Hd2 )  4.5  4.5  0.0 !  138 AbH6R_
assign (resid  13 and segid A  and name Hb* ) (resid  13 and segid A  and name H   )  3.5  3.5  0.0 !  118 AbH6R_
assign (resid  13 and segid A  and name Hb2 ) (resid  13 and segid A  and name H   )  3.5  3.5  0.0 !    7 AbH6R_
assign (resid  13 and segid A  and name Ha  ) (resid  13 and segid A  and name H   )  3.5  3.5  0.0 !   34 AbH6R_
assign (resid  14 and segid A  and name Hb1 ) (resid  14 and segid A  and name Hd2 )  3.5  3.5  0.0 !  137 AbH6R_
assign (resid  14 and segid A  and name Hb2 ) (resid  14 and segid A  and name Hd2 )  4.5  4.5  0.0 !  136 AbH6R_
assign (resid  14 and segid A  and name Hb1 ) (resid  14 and segid A  and name H   )  5.5  5.5  0.0 !  117 AbH6R_
assign (resid  14 and segid A  and name Hb2 ) (resid  14 and segid A  and name H   )  4.5  4.5  0.0 !  116 AbH6R_
assign (resid  14 and segid A  and name Ha  ) (resid  14 and segid A  and name H   )  3.5  3.5  0.0 !   35 AbH6R_
assign (resid  15 and segid A  and name Hg* ) (resid  15 and segid A  and name H   )  3.5  3.5  0.0 !   39 AbH6R_
assign (resid  15 and segid A  and name Hb1 ) (resid  15 and segid A  and name H   )  3.5  3.5  0.0 !   38 AbH6R_
assign (resid  15 and segid A  and name Hb2 ) (resid  15 and segid A  and name H   )  3.5  3.5  0.0 !   37 AbH6R_
assign (resid  15 and segid A  and name Ha  ) (resid  15 and segid A  and name H   )  3.0  3.0  0.0 !   36 AbH6R_
assign (resid  15 and segid A  and name Hg* ) (resid  15 and segid A  and name Ha  )  4.5  4.5  0.0 !  191 AbH6R_
assign (resid  15 and segid A  and name Hg* ) (resid  15 and segid A  and name He21)  3.5  3.5  0.0 !  173 AbH6R_
assign (resid  16 and segid A  and name Hb2 ) (resid  16 and segid A  and name He* )  5.5  5.5  0.0 !  252 AbH6R_
assign (resid  16 and segid A  and name Hb1 ) (resid  16 and segid A  and name He* )  5.5  5.5  0.0 !  251 AbH6R_
assign (resid  16 and segid A  and name Hg2 ) (resid  16 and segid A  and name He* )  4.5  4.5  0.0 !  250 AbH6R_
assign (resid  16 and segid A  and name Hg1 ) (resid  16 and segid A  and name He* )  4.5  4.5  0.0 !  249 AbH6R_
assign (resid  16 and segid A  and name Hd* ) (resid  16 and segid A  and name He* )  3.5  3.5  0.0 !  248 AbH6R_
assign (resid  16 and segid A  and name Hb1 ) (resid  16 and segid A  and name H   )  4.5  4.5  0.0 !   75 AbH6R_
assign (resid  16 and segid A  and name Hb2 ) (resid  16 and segid A  and name H   )  4.5  4.5  0.0 !   74 AbH6R_
assign (resid  16 and segid A  and name Ha  ) (resid  16 and segid A  and name H   )  3.5  3.5  0.0 !   11 AbH6R_


!Long range NOEs  chain B
assign (resid   5 and segid B  and name Hd* ) (resid  12 and segid B  and name Ha  )  5.0  5.0  0.0 !  269 AbH6R_    
assign (resid  12 and segid B  and name Ha  ) (resid   4 and segid B  and name Hd* )  5.5  5.5  0.0 !  188 AbH6R_ 
assign (resid  15 and segid B  and name Hb1 ) (resid  10 and segid B  and name Hd* )  5.5  5.5  0.0 !  230 AbH6R_ 
assign (resid  15 and segid B  and name Hg* ) (resid  10 and segid B  and name Hd* )  5.5  5.5  0.0 !  175 AbH6R_ 

!Medium-range NOEs  chain B
assign (resid  12 and segid B  and name Ha  ) (resid  10 and segid B  and name Hb2 )  5.5  5.5  0.0 !  267 AbH6R_ 
assign (resid  12 and segid B  and name Ha  ) (resid  10 and segid B  and name Hb1 )  4.5  4.5  0.0 !  268 AbH6R_ 
assign (resid   1 and segid B  and name Hb1 ) (resid   4 and segid B  and name H   )  4.5  4.5  0.0 !  123 AbH6R_
assign (resid   1 and segid B  and name Hb1 ) (resid   4 and segid B  and name Hd* )  4.5  4.5  0.0 !  139 AbH6R_
assign (resid   2 and segid B  and name Hb* ) (resid   4 and segid B  and name H   )  4.5  4.5  0.0 !   79 AbH6R_
assign (resid   2 and segid B  and name Hb* ) (resid   6 and segid B  and name Hd* )  5.5  5.5  0.0 !  262 AbH6R_
assign (resid   3 and segid B  and name Hg2 ) (resid   6 and segid B  and name He  )  5.5  5.5  0.0 !  160 AbH6R_
assign (resid   3 and segid B  and name Hg1 ) (resid   6 and segid B  and name He  )  6.0  6.0  0.0 !  162 AbH6R_
assign (resid   4 and segid B  and name Ha  ) (resid   6 and segid B  and name He  )  4.5  4.5  0.0 !  185 AbH6R_
assign (resid   4 and segid B  and name Hd* ) (resid   6 and segid B  and name H   )  5.0  5.0  0.0 !  108 AbH6R_
assign (resid   6 and segid B  and name Hg2 ) (resid   4 and segid B  and name Hd* )  5.0  5.0  0.0 !  168 AbH6R_
assign (resid   6 and segid B  and name Hg2 ) (resid   4 and segid B  and name Ha  )  5.5  5.5  0.0 !  212 AbH6R_
assign (resid   6 and segid B  and name Hb2 ) (resid   4 and segid B  and name Hd* )  6.0  6.0  0.0 !  170 AbH6R_
assign (resid   6 and segid B  and name Hb2 ) (resid  10 and segid B  and name He* )  4.5  4.5  0.0 !  228 AbH6R_
assign (resid   6 and segid B  and name Hg2 ) (resid  10 and segid B  and name He* )  4.5  4.5  0.0 !  178 AbH6R_
assign (resid   8 and segid B  and name Ha  ) (resid  10 and segid B  and name Hd* )  6.0  6.0  0.0 !  183 AbH6R_
assign (resid  11 and segid B  and name Hg* ) (resid  13 and segid B  and name H   )  5.0  5.0  0.0 !  138 AbH6R_
assign (resid  11 and segid B  and name Ha  ) (resid  13 and segid B  and name H   )  4.0  4.0  0.0 !   19 AbH6R_
assign (resid   9 and segid B  and name Ha* ) (resid  10 and segid B  and name He* )  3.5  3.5  0.0 !  181 AbH6R_
assign (resid  12 and segid B  and name Hg1*) (resid  10 and segid B  and name Hd* )  4.5  4.5  0.0 !  242 AbH6R_
assign (resid  12 and segid B  and name Hg2*) (resid  10 and segid B  and name Hd* )  5.5  5.5  0.0 !  241 AbH6R_
assign (resid  12 and segid B  and name Hg1*) (resid  10 and segid B  and name He* )  4.5  4.5  0.0 !  240 AbH6R_
assign (resid  12 and segid B  and name Hg2*) (resid  10 and segid B  and name He* )  4.5  4.5  0.0 !  239 AbH6R_
assign (resid  12 and segid B  and name H   ) (resid  14 and segid B  and name H   )  4.5  4.5  0.0 !   21 AbH6R_

!Sequential NOEs  chain B
assign (resid   1 and segid B  and name Hb2 ) (resid   2 and segid B  and name H   )  4.5  4.5  0.0 !  124 AbH6R_
assign (resid   1 and segid B  and name Ha  ) (resid   2 and segid B  and name H   )  3.5  3.5  0.0 !   17 AbH6R_
assign (resid   1 and segid B  and name Hb1 ) (resid   2 and segid B  and name H   )  3.5  3.5  0.0 !  125 AbH6R_
assign (resid   2 and segid B  and name Hb* ) (resid   1 and segid B  and name Ha  )  5.5  5.5  0.0 !  211 AbH6R_
assign (resid   2 and segid B  and name Hb* ) (resid   1 and segid B  and name Hb1 )  5.5  5.5  0.0 !  258 AbH6R_
assign (resid   2 and segid B  and name Hb* ) (resid   3 and segid B  and name Hg1 )  5.5  5.5  0.0 !  265 AbH6R_
assign (resid   2 and segid B  and name Ha  ) (resid   3 and segid B  and name H   )  3.5  3.5  0.0 !   18 AbH6R_
assign (resid   2 and segid B  and name Hb* ) (resid   3 and segid B  and name Hg2 )  4.0  4.0  0.0 !  266 AbH6R_
assign (resid   2 and segid B  and name Hb* ) (resid   3 and segid B  and name H   )  3.5  3.5  0.0 !   80 AbH6R_
assign (resid   3 and segid B  and name Hg1 ) (resid   4 and segid B  and name Hd* )  4.5  4.5  0.0 !  159 AbH6R_
assign (resid   3 and segid B  and name Ha  ) (resid   4 and segid B  and name H   )  3.5  3.5  0.0 !   19 AbH6R_
assign (resid   3 and segid B  and name Ha  ) (resid   4 and segid B  and name Hd* )  5.0  5.0  0.0 !  186 AbH6R_
assign (resid   3 and segid B  and name Hg2 ) (resid   4 and segid B  and name H   )  5.5  5.5  0.0 !   64 AbH6R_
assign (resid   3 and segid B  and name Hb* ) (resid   4 and segid B  and name H   )  3.5  3.5  0.0 !   47 AbH6R_
assign (resid   3 and segid B  and name Hb* ) (resid   4 and segid B  and name Hd* )  4.5  4.5  0.0 !  156 AbH6R_
assign (resid   3 and segid B  and name Hg2 ) (resid   4 and segid B  and name Hd* )  5.5  5.5  0.0 !  158 AbH6R_
assign (resid   3 and segid B  and name Ha  ) (resid   4 and segid B  and name Ha  )  5.5  5.5  0.0 !  246 AbH6R_
assign (resid   3 and segid B  and name Hg1 ) (resid   4 and segid B  and name H   )  3.5  3.5  0.0 !   63 AbH6R_
assign (resid   4 and segid B  and name He* ) (resid   3 and segid B  and name H   )  5.5  5.5  0.0 !  140 AbH6R_
assign (resid   4 and segid B  and name Hd* ) (resid   3 and segid B  and name H   )  5.5  5.5  0.0 !  107 AbH6R_
assign (resid   4 and segid B  and name H   ) (resid   3 and segid B  and name H   )  3.5  3.5  0.0 !  238 AbH6R_
assign (resid   4 and segid B  and name Ha  ) (resid   5 and segid B  and name H   )  3.5  3.5  0.0 !   20 AbH6R_
assign (resid   5 and segid B  and name Hb2 ) (resid   4 and segid B  and name Ha  )  5.5  5.5  0.0 !  213 AbH6R_
assign (resid   5 and segid B  and name Ha  ) (resid   6 and segid B  and name H   )  3.5  3.5  0.0 !   23 AbH6R_
assign (resid   6 and segid B  and name Ha  ) (resid   7 and segid B  and name H   )  3.5  3.5  0.0 !   25 AbH6R_
assign (resid   6 and segid B  and name Ha  ) (resid   7 and segid B  and name Ha  )  5.5  5.5  0.0 !  247 AbH6R_
assign (resid   7 and segid B  and name Ha  ) (resid   8 and segid B  and name H   )  3.5  3.5  0.0 !   26 AbH6R_
assign (resid   7 and segid B  and name Hb* ) (resid   8 and segid B  and name H   )  3.5  3.5  0.0 !   75 AbH6R_
assign (resid   8 and segid B  and name Ha  ) (resid   9 and segid B  and name H   )  4.5  4.5  0.0 !   27 AbH6R_
assign (resid   9 and segid B  and name Ha* ) (resid  10 and segid B  and name H   )  3.5  3.5  0.0 !   28 AbH6R_
assign (resid  10 and segid B  and name H   ) (resid   9 and segid B  and name H   )  4.0  4.0  0.0 !  119 AbH6R_
assign (resid  10 and segid B  and name Hb1 ) (resid  11 and segid B  and name H   )  3.5  3.5  0.0 !  114 AbH6R_
assign (resid  10 and segid B  and name Hb2 ) (resid  11 and segid B  and name H   )  4.5  4.5  0.0 !  113 AbH6R_
assign (resid  10 and segid B  and name Hd* ) (resid  11 and segid B  and name H   )  4.5  4.5  0.0 !   99 AbH6R_
assign (resid  10 and segid B  and name He* ) (resid  11 and segid B  and name H   )  4.0  4.0  0.0 !   66 AbH6R_
assign (resid  10 and segid B  and name H   ) (resid  11 and segid B  and name H   )  4.5  4.5  0.0 !  235 AbH6R_
assign (resid  10 and segid B  and name Ha  ) (resid  11 and segid B  and name H   )  2.5  2.5  0.0 !  130 AbH6R_
assign (resid  11 and segid B  and name Hb1 ) (resid  10 and segid B  and name H   )  6.0  6.0  0.0 !  131 AbH6R_    
assign (resid  11 and segid B  and name Ha  ) (resid  10 and segid B  and name H   )  4.5  4.5  0.0 !  128 AbH6R_
assign (resid  11 and segid B  and name Hb2 ) (resid  10 and segid B  and name Hd* )  5.5  5.5  0.0 !  227 AbH6R_
assign (resid  11 and segid B  and name Hb1 ) (resid  10 and segid B  and name Hd* )  4.5  4.5  0.0 !  226 AbH6R_
assign (resid  11 and segid B  and name Hb2 ) (resid  10 and segid B  and name H   )  5.5  5.5  0.0 !   76 AbH6R_
assign (resid  11 and segid B  and name Hb1 ) (resid  10 and segid B  and name He* )  6.0  6.0  0.0 !  176 AbH6R_
assign (resid  11 and segid B  and name Ha  ) (resid  12 and segid B  and name H   )  3.5  3.5  0.0 !   31 AbH6R_
assign (resid  12 and segid B  and name Ha  ) (resid  13 and segid B  and name H   )  3.5  3.5  0.0 !   32 AbH6R_
assign (resid  12 and segid B  and name Hb  ) (resid  13 and segid B  and name H   )  3.5  3.5  0.0 !  137 AbH6R_
assign (resid  12 and segid B  and name Hg2*) (resid  13 and segid B  and name Ha  )  5.5  5.5  0.0 !  122 AbH6R_
assign (resid  12 and segid B  and name Hg1*) (resid  13 and segid B  and name Ha  )  5.0  5.0  0.0 !  123 AbH6R_
assign (resid  12 and segid B  and name Ha  ) (resid  13 and segid B  and name Ha  )  4.5  4.5  0.0 !  121 AbH6R_
assign (resid  14 and segid B  and name Ha  ) (resid  15 and segid B  and name H   )  3.5  3.5  0.0 !  132 AbH6R_
assign (resid  14 and segid B  and name H   ) (resid  15 and segid B  and name H   )  3.5  3.5  0.0 !  236 AbH6R_
assign (resid  15 and segid B  and name Ha  ) (resid  16 and segid B  and name H   )  4.5  4.5  0.0 !   41 AbH6R_
assign (resid  15 and segid B  and name Hb1 ) (resid  16 and segid B  and name H   )  3.5  3.5  0.0 !   83 AbH6R_
assign (resid  15 and segid B  and name Hb2 ) (resid  16 and segid B  and name H   )  3.5  3.5  0.0 !   47 AbH6R_
assign (resid  16 and segid B  and name Hg1 ) (resid  15 and segid B  and name Hg* )  6.0  6.0  0.0 !  260 AbH6R_

!Intra-residue NOEs  chain B
assign (resid   1 and segid B  and name Ha  ) (resid   1 and segid B  and name Hb1 )  3.5  3.5  0.0 !  216 AbH6R_
assign (resid   3 and segid B  and name Ha  ) (resid   3 and segid B  and name Hb* )  3.5  3.5  0.0 !  194 AbH6R_
assign (resid   4 and segid B  and name Ha  ) (resid   4 and segid B  and name Hb* )  3.5  3.5  0.0 !  217 AbH6R_
assign (resid   5 and segid B  and name Ha  ) (resid   5 and segid B  and name Hb2 )  3.0  3.0  0.0 !  199 AbH6R_
assign (resid   6 and segid B  and name Ha  ) (resid   6 and segid B  and name Hb2 )  3.0  3.0  0.0 !  202 AbH6R_    
assign (resid   8 and segid B  and name Ha  ) (resid   8 and segid B  and name Hb1 )  3.5  3.5  0.0 !  245 AbH6R_
assign (resid   8 and segid B  and name Ha  ) (resid   8 and segid B  and name Hb2 )  3.5  3.5  0.0 !  244 AbH6R_
assign (resid  10 and segid B  and name Ha  ) (resid  10 and segid B  and name Hb2 )  4.5  4.5  0.0 !  218 AbH6R_
assign (resid  10 and segid B  and name Ha  ) (resid  10 and segid B  and name Hb1 )  3.5  3.5  0.0 !  124 AbH6R_
assign (resid  15 and segid B  and name Ha  ) (resid  15 and segid B  and name Hb2 )  4.5  4.5  0.0 !   99 AbH6R_
assign (resid  15 and segid B  and name Ha  ) (resid  15 and segid B  and name Hb1 )  2.5  2.5  0.0 !  100 AbH6R_
assign (resid   1 and segid B  and name Hb2 ) (resid   1 and segid B  and name H   )  3.5  3.5  0.0 !  111 AbH6R_
assign (resid   1 and segid B  and name Ha  ) (resid   1 and segid B  and name H   )  3.5  3.5  0.0 !   33 AbH6R_
assign (resid   1 and segid B  and name Hb1 ) (resid   1 and segid B  and name H   )  3.5  3.5  0.0 !  112 AbH6R_
assign (resid   2 and segid B  and name Ha  ) (resid   2 and segid B  and name H   )  3.5  3.5  0.0 !   15 AbH6R_
assign (resid   2 and segid B  and name Hb* ) (resid   2 and segid B  and name H   )  3.5  3.5  0.0 !   78 AbH6R_
assign (resid   3 and segid B  and name Hg1 ) (resid   3 and segid B  and name Ha  )  4.5  4.5  0.0 !  193 AbH6R_
assign (resid   3 and segid B  and name Hg2 ) (resid   3 and segid B  and name H   )  4.5  4.5  0.0 !   68 AbH6R_
assign (resid   3 and segid B  and name Hg2 ) (resid   3 and segid B  and name Ha  )  4.5  4.5  0.0 !  192 AbH6R_
assign (resid   3 and segid B  and name Hb* ) (resid   3 and segid B  and name H   )  3.5  3.5  0.0 !   67 AbH6R_
assign (resid   3 and segid B  and name Hg1 ) (resid   3 and segid B  and name H   )  4.5  4.5  0.0 !   69 AbH6R_
assign (resid   3 and segid B  and name Ha  ) (resid   3 and segid B  and name H   )  3.5  3.5  0.0 !    5 AbH6R_
assign (resid   4 and segid B  and name Hb* ) (resid   4 and segid B  and name H   )  2.5  2.5  0.0 !   62 AbH6R_
assign (resid   4 and segid B  and name He* ) (resid   4 and segid B  and name H   )  4.5  4.5  0.0 !  106 AbH6R_
assign (resid   4 and segid B  and name Hd* ) (resid   4 and segid B  and name H   )  3.5  3.5  0.0 !  105 AbH6R_
assign (resid   4 and segid B  and name Ha  ) (resid   4 and segid B  and name Hd* )  3.5  3.5  0.0 !  184 AbH6R_
assign (resid   4 and segid B  and name Ha  ) (resid   4 and segid B  and name H   )  3.5  3.5  0.0 !    8 AbH6R_
assign (resid   4 and segid B  and name Hb* ) (resid   4 and segid B  and name Hd* )  2.5  2.5  0.0 !  135 AbH6R_
assign (resid   5 and segid B  and name Hg2 ) (resid   5 and segid B  and name He  )  4.5  4.5  0.0 !  152 AbH6R_
assign (resid   5 and segid B  and name Hg1 ) (resid   5 and segid B  and name He  )  4.5  4.5  0.0 !  153 AbH6R_
assign (resid   5 and segid B  and name Hb1 ) (resid   5 and segid B  and name H   )  3.5  3.5  0.0 !   66 AbH6R_
assign (resid   5 and segid B  and name Ha  ) (resid   5 and segid B  and name He  )  2.5  2.5  0.0 !   21 AbH6R_
assign (resid   5 and segid B  and name Hb2 ) (resid   5 and segid B  and name He  )  5.5  5.5  0.0 !  154 AbH6R_
assign (resid   5 and segid B  and name Hg1 ) (resid   5 and segid B  and name H   )  4.0  4.0  0.0 !   82 AbH6R_
assign (resid   5 and segid B  and name Hd* ) (resid   5 and segid B  and name Ha  )  3.5  3.5  0.0 !  215 AbH6R_
assign (resid   5 and segid B  and name Hg2 ) (resid   5 and segid B  and name Ha  )  6.0  6.0  0.0 !  201 AbH6R_
assign (resid   5 and segid B  and name Hg2 ) (resid   5 and segid B  and name H   )  4.5  4.5  0.0 !   81 AbH6R_
assign (resid   5 and segid B  and name Hb2 ) (resid   5 and segid B  and name H   )  3.5  3.5  0.0 !   77 AbH6R_
assign (resid   5 and segid B  and name Ha  ) (resid   5 and segid B  and name H   )  3.5  3.5  0.0 !    6 AbH6R_
assign (resid   5 and segid B  and name Hb1 ) (resid   5 and segid B  and name He  )  5.5  5.5  0.0 !  155 AbH6R_
assign (resid   6 and segid B  and name Ha  ) (resid   6 and segid B  and name He  )  3.5  3.5  0.0 !   22 AbH6R_
assign (resid   6 and segid B  and name Hg2 ) (resid   6 and segid B  and name He  )  3.5  3.5  0.0 !  167 AbH6R_
assign (resid   6 and segid B  and name Ha  ) (resid   6 and segid B  and name H   )  3.0  3.0  0.0 !   17 AbH6R_
assign (resid   6 and segid B  and name Hb2 ) (resid   6 and segid B  and name Hd* )  3.5  3.5  0.0 !  263 AbH6R_   
assign (resid   6 and segid B  and name Hg2 ) (resid   6 and segid B  and name H   )  2.5  2.5  0.0 !   87 AbH6R_
assign (resid   6 and segid B  and name Hb2 ) (resid   6 and segid B  and name H   )  3.5  3.5  0.0 !   86 AbH6R_
assign (resid   6 and segid B  and name Hb1 ) (resid   6 and segid B  and name Hd* )  2.5  2.5  0.0 !  264 AbH6R_
assign (resid   6 and segid B  and name Hg2 ) (resid   6 and segid B  and name Ha  )  3.0  3.0  0.0 !  200 AbH6R_
assign (resid   6 and segid B  and name Hg2 ) (resid   6 and segid B  and name Hd* )  2.5  2.5  0.0 !  261 AbH6R_
assign (resid   6 and segid B  and name Hb1 ) (resid   6 and segid B  and name H   )  5.5  5.5  0.0 !   85 AbH6R_
assign (resid   6 and segid B  and name Hg1 ) (resid   6 and segid B  and name He  )  6.0  6.0  0.0 !  166 AbH6R_
assign (resid   6 and segid B  and name Hb2 ) (resid   6 and segid B  and name He  )  4.5  4.5  0.0 !  165 AbH6R_
assign (resid   6 and segid B  and name Hg1 ) (resid   6 and segid B  and name H   )  5.5  5.5  0.0 !   94 AbH6R_
assign (resid   6 and segid B  and name Hb1 ) (resid   6 and segid B  and name He  )  4.5  4.5  0.0 !  164 AbH6R_
assign (resid   7 and segid B  and name Ha  ) (resid   7 and segid B  and name H   )  3.5  3.5  0.0 !   24 AbH6R_
assign (resid   8 and segid B  and name Hb1 ) (resid   8 and segid B  and name H   )  3.5  3.5  0.0 !   16 AbH6R_
assign (resid   8 and segid B  and name Hb2 ) (resid   8 and segid B  and name H   )  2.5  2.5  0.0 !   10 AbH6R_
assign (resid   8 and segid B  and name Ha  ) (resid   8 and segid B  and name H   )  3.0  3.0  0.0 !    8 AbH6R_
assign (resid   9 and segid B  and name Ha* ) (resid   9 and segid B  and name H   )  3.5  3.5  0.0 !   11 AbH6R_
assign (resid  10 and segid B  and name Hb1 ) (resid  10 and segid B  and name He* )  4.5  4.5  0.0 !  145 AbH6R_    
assign (resid  10 and segid B  and name Hb2 ) (resid  10 and segid B  and name He* )  6.0  6.0  0.0 !  144 AbH6R_
assign (resid  10 and segid B  and name Ha  ) (resid  10 and segid B  and name H   )  3.0  3.0  0.0 !   68 AbH6R_
assign (resid  10 and segid B  and name Hb1 ) (resid  10 and segid B  and name H   )  3.5  3.5  0.0 !   69 AbH6R_
assign (resid  10 and segid B  and name Hb2 ) (resid  10 and segid B  and name H   )  3.0  3.0  0.0 !   67 AbH6R_
assign (resid  10 and segid B  and name Hd* ) (resid  10 and segid B  and name H   )  4.5  4.5  0.0 !   63 AbH6R_
assign (resid  11 and segid B  and name Hg* ) (resid  11 and segid B  and name H   )  4.0  4.0  0.0 !   70 AbH6R_
assign (resid  11 and segid B  and name Ha  ) (resid  11 and segid B  and name H   )  3.5  3.5  0.0 !   30 AbH6R_
assign (resid  11 and segid B  and name Hb2 ) (resid  11 and segid B  and name H   )  3.0  3.0  0.0 !   84 AbH6R_
assign (resid  11 and segid B  and name Hb1 ) (resid  11 and segid B  and name H   )  3.5  3.5  0.0 !   73 AbH6R_
assign (resid  12 and segid B  and name Hg1*) (resid  12 and segid B  and name Ha  )  2.5  2.5  0.0 !   26 AbH6R_
assign (resid  12 and segid B  and name Hg2*) (resid  12 and segid B  and name Ha  )  3.5  3.5  0.0 !  254 AbH6R_
assign (resid  12 and segid B  and name Ha  ) (resid  12 and segid B  and name H   )  2.5  2.5  0.0 !  115 AbH6R_
assign (resid  12 and segid B  and name Ha  ) (resid  12 and segid B  and name Hg1*)  2.5  2.5  0.0 !   40 AbH6R_
assign (resid  13 and segid B  and name Hb* ) (resid  13 and segid B  and name Hd2 )  4.5  4.5  0.0 !  138 AbH6R_
assign (resid  13 and segid B  and name Hb* ) (resid  13 and segid B  and name H   )  3.5  3.5  0.0 !  118 AbH6R_
assign (resid  13 and segid B  and name Hb2 ) (resid  13 and segid B  and name H   )  3.5  3.5  0.0 !    7 AbH6R_
assign (resid  13 and segid B  and name Ha  ) (resid  13 and segid B  and name H   )  3.5  3.5  0.0 !   34 AbH6R_
assign (resid  14 and segid B  and name Hb1 ) (resid  14 and segid B  and name Hd2 )  3.5  3.5  0.0 !  137 AbH6R_
assign (resid  14 and segid B  and name Hb2 ) (resid  14 and segid B  and name Hd2 )  4.5  4.5  0.0 !  136 AbH6R_
assign (resid  14 and segid B  and name Hb1 ) (resid  14 and segid B  and name H   )  5.5  5.5  0.0 !  117 AbH6R_
assign (resid  14 and segid B  and name Hb2 ) (resid  14 and segid B  and name H   )  4.5  4.5  0.0 !  116 AbH6R_
assign (resid  14 and segid B  and name Ha  ) (resid  14 and segid B  and name H   )  3.5  3.5  0.0 !   35 AbH6R_
assign (resid  15 and segid B  and name Hg* ) (resid  15 and segid B  and name H   )  3.5  3.5  0.0 !   39 AbH6R_
assign (resid  15 and segid B  and name Hb1 ) (resid  15 and segid B  and name H   )  3.5  3.5  0.0 !   38 AbH6R_
assign (resid  15 and segid B  and name Hb2 ) (resid  15 and segid B  and name H   )  3.5  3.5  0.0 !   37 AbH6R_
assign (resid  15 and segid B  and name Ha  ) (resid  15 and segid B  and name H   )  3.0  3.0  0.0 !   36 AbH6R_
assign (resid  15 and segid B  and name Hg* ) (resid  15 and segid B  and name Ha  )  4.5  4.5  0.0 !  191 AbH6R_
assign (resid  15 and segid B  and name Hg* ) (resid  15 and segid B  and name He21)  3.5  3.5  0.0 !  173 AbH6R_
assign (resid  16 and segid B  and name Hb2 ) (resid  16 and segid B  and name He* )  5.5  5.5  0.0 !  252 AbH6R_
assign (resid  16 and segid B  and name Hb1 ) (resid  16 and segid B  and name He* )  5.5  5.5  0.0 !  251 AbH6R_
assign (resid  16 and segid B  and name Hg2 ) (resid  16 and segid B  and name He* )  4.5  4.5  0.0 !  250 AbH6R_
assign (resid  16 and segid B  and name Hg1 ) (resid  16 and segid B  and name He* )  4.5  4.5  0.0 !  249 AbH6R_
assign (resid  16 and segid B  and name Hd* ) (resid  16 and segid B  and name He* )  3.5  3.5  0.0 !  248 AbH6R_
assign (resid  16 and segid B  and name Hb1 ) (resid  16 and segid B  and name H   )  4.5  4.5  0.0 !   75 AbH6R_
assign (resid  16 and segid B  and name Hb2 ) (resid  16 and segid B  and name H   )  4.5  4.5  0.0 !   74 AbH6R_
assign (resid  16 and segid B  and name Ha  ) (resid  16 and segid B  and name H   )  3.5  3.5  0.0 !   11 AbH6R_


!Zn RESTRAINTS
assign (resid  17  and name ZN  ) (resid  11 and segid A  and name Oe1   )  2.1  0.5  0.5 ! 
assign (resid  17  and name ZN  ) (resid  11 and segid A  and name Oe2   )  2.1  0.5  0.5 ! 
assign (resid  17  and name ZN  ) (resid  14 and segid A  and name Ne2   )  2.1  0.5  0.5 ! 
assign (resid  17  and name ZN  ) (resid  11 and segid B  and name Oe1   )  2.1  0.5  0.5 ! 
assign (resid  17  and name ZN  ) (resid  11 and segid B  and name Oe2   )  2.1  0.5  0.5 ! 
assign (resid  17  and name ZN  ) (resid  14 and segid B  and name Ne2   )  2.1  0.5  0.5 ! 

!impropers for Zn coordination taken from QM/MM calculations       
assign (resid 11 and segid A  and name    Cd) (resid 14 and segid B  and name   Ne2)
       (resid 17   and name    ZN)            (resid 11 and segid B  and name    Cd) 1.0  120.00    5.00 2
       
assign (resid 11 and segid B  and name    Cd) (resid 14 and segid B  and name   Ne2)
       (resid 17   and name    ZN)            (resid 14 and segid A  and name   Ne2) 1.0  120.00    5.00 2       

assign (resid 14 and segid A  and name   Ne2) (resid 14 and segid B  and name   Ne2)
       (resid 17   and name    ZN)            (resid 11 and segid A  and name    Cd) 1.0  120.00    5.00 2       
       
assign (resid 11 and segid B  and name    Cd) (resid 14 and segid A  and name   Ne2)
       (resid 17   and name    ZN)            (resid 11 and segid A  and name    Cd) 1.0  120.00    5.00 2       
       
assign (resid 11 and segid A  and name    Cd) (resid 14 and segid A  and name   Ne2)
       (resid 17   and name    ZN)            (resid 14 and segid B  and name   Ne2) 1.0  120.00    5.00 2              
       
assign (resid 14 and segid A  and name   Ne2) (resid 14 and segid A  and name   Ne2)
       (resid 17   and name    ZN)            (resid 11 and segid B  and name    Cd) 1.0  120.00    5.00 2              
       
assign (resid 14 and segid B  and name   Ne2) (resid 11 and segid A  and name    Cd)
       (resid 17   and name    ZN)            (resid 14 and segid A  and name   Ne2) 1.0  120.00    5.00 2              
       
assign (resid 14 and segid A  and name   Ne2) (resid 11 and segid A  and name    Cd)
       (resid 17   and name    ZN)            (resid 11 and segid B  and name    Cd) 1.0  120.00    5.00 2                     
       
assign (resid 11 and segid B  and name    Cd) (resid 11 and segid A  and name    Cd)
       (resid 17   and name    ZN)            (resid 14 and segid B  and name   Ne2) 1.0  120.00    5.00 2                     
       
assign (resid 14 and segid B  and name   Ne2) (resid 11 and segid B  and name    Cd)
       (resid 17   and name    ZN)            (resid 11 and segid A  and name    Cd) 1.0  120.00    5.00 2                     
       
assign (resid 11 and segid A  and name    Cd) (resid 11 and segid B  and name    Cd)
       (resid 17   and name    ZN)            (resid 14 and segid A  and name   Ne2) 1.0  120.00    5.00 2       
       
assign (resid 14 and segid A  and name   Ne2) (resid 11 and segid B  and name    Cd)
       (resid 17   and name    ZN)            (resid 14 and segid B  and name   Ne2) 1.0  120.00    5.00 2       
       
assign (resid 17   and name    ZN)            (resid 11 and segid A  and name   Oe2)
       (resid 11 and segid A  and name    Cd) (resid 11 and segid A  and name    Cg) 1.0  180.00    5.00 2       
       
assign (resid 17   and name    ZN)            (resid 11 and segid A  and name   Oe1)
       (resid 11 and segid A  and name    Cd) (resid 11 and segid A  and name    Cg) 1.0 -180.00    5.00 2              

assign (resid 17  and name     ZN)            (resid 14 and segid A  and name   Ne2)
       (resid 14 and segid A  and name   Ce1) (resid 14 and segid A  and name   Nd1) 1.0  180.00    5.00 2       
       
assign (resid 17   and name    ZN)            (resid 14 and segid A  and name   Ne2)
       (resid 14 and segid A  and name   Cd2) (resid 14 and segid A  and name    Cg) 1.0 -180.00    5.00 2              

assign (resid 17   and name    ZN)            (resid 11 and segid B  and name   Oe2)
       (resid 11 and segid B  and name    Cd) (resid 11 and segid B  and name    Cg) 1.0  180.00    5.00 2       
       
assign (resid 17   and name    ZN)            (resid 11 and segid B  and name   Oe1)
       (resid 11 and segid B  and name    Cd) (resid 11 and segid B  and name    Cg) 1.0 -180.00    5.00 2              

assign (resid 17   and name    ZN)            (resid 14 and segid B  and name   Ne2)
       (resid 14 and segid B  and name   Ce1) (resid 14 and segid B  and name   Nd1) 1.0  180.00    5.00 2       
       
assign (resid 17   and name    ZN)            (resid 14 and segid B  and name   Ne2)
       (resid 14 and segid B  and name   Cd2) (resid 14 and segid B  and name    Cg) 1.0 -180.00    5.00 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           H1       ACE   0 -12.392  -4.498  -1.936
    2    H2   ACE   0           H2       ACE   0 -12.455  -5.757  -3.177
    3    H3   ACE   0           H3       ACE   0 -12.325  -4.030  -3.616
    4    H    ASP   1           H        ASP   1 -14.358  -4.052  -1.048
    5    HA   ASP   1           HA       ASP   1 -16.805  -4.181  -2.708
    6    HB2  ASP   1           HB2      ASP   1 -16.250  -6.307  -1.219
    7    HB3  ASP   1           HB1      ASP   1 -16.835  -5.279   0.100
    8    H    ALA   2           H        ALA   2 -18.520  -2.955  -1.899
    9    HA   ALA   2           HA       ALA   2 -17.592  -0.418  -1.830
   10    HB1  ALA   2           HB1      ALA   2 -19.878   0.229  -1.777
   11    HB2  ALA   2           HB2      ALA   2 -19.729  -1.271  -2.703
   12    HB3  ALA   2           HB3      ALA   2 -20.359  -1.329  -1.036
   13    H    GLU   3           H        GLU   3 -18.856  -2.160   1.007
   14    HA   GLU   3           HA       GLU   3 -19.166   0.011   2.739
   15    HB2  GLU   3           HB2      GLU   3 -19.228  -1.705   4.502
   16    HB3  GLU   3           HB1      GLU   3 -20.161  -2.173   3.069
   17    HG2  GLU   3           HG2      GLU   3 -18.186  -3.518   2.286
   18    HG3  GLU   3           HG1      GLU   3 -17.392  -3.168   3.843
   19    H    PHE   4           H        PHE   4 -16.179  -1.707   1.995
   20    HA   PHE   4           HA       PHE   4 -14.746   0.063   3.906
   21    HB2  PHE   4           HB2      PHE   4 -13.092  -1.592   4.032
   22    HB3  PHE   4           HB1      PHE   4 -14.662  -2.379   4.325
   23    HD1  PHE   4           HD1      PHE   4 -11.948  -1.876   1.899
   24    HD2  PHE   4           HD2      PHE   4 -15.537  -3.990   2.849
   25    HE1  PHE   4           HE1      PHE   4 -11.417  -3.556   0.116
   26    HE2  PHE   4           HE2      PHE   4 -14.952  -5.764   1.191
   27    HZ   PHE   4           HZ       PHE   4 -12.856  -5.584  -0.119
   28    H    ARG   5           H        ARG   5 -15.234  -0.593   0.573
   29    HA   ARG   5           HA       ARG   5 -12.950   0.998  -0.324
   30    HB2  ARG   5           HB2      ARG   5 -15.510  -0.018  -1.593
   31    HB3  ARG   5           HB1      ARG   5 -14.405   1.060  -2.435
   32    HG2  ARG   5           HG2      ARG   5 -13.738  -1.727  -1.388
   33    HG3  ARG   5           HG1      ARG   5 -13.959  -1.271  -3.077
   34    HD2  ARG   5           HD2      ARG   5 -11.747  -0.426  -1.210
   35    HD3  ARG   5           HD1      ARG   5 -11.638  -1.461  -2.625
   36    HE   ARG   5           HE       ARG   5 -12.097   1.502  -2.587
   37   HH11  ARG   5          1HH1      ARG   5 -11.263  -1.392  -4.444
   38   HH12  ARG   5          1HH2      ARG   5 -10.729  -0.481  -5.834
   39   HH21  ARG   5          2HH1      ARG   5 -11.392   2.668  -4.426
   40   HH22  ARG   5          2HH2      ARG   5 -10.792   1.800  -5.821
   41    H    ARG   6           H        ARG   6 -13.357   2.408   1.474
   42    HA   ARG   6           HA       ARG   6 -15.391   4.427   1.094
   43    HB2  ARG   6           HB2      ARG   6 -13.594   3.648   3.393
   44    HB3  ARG   6           HB1      ARG   6 -14.744   5.005   3.464
   45    HG2  ARG   6           HG2      ARG   6 -15.430   2.068   3.038
   46    HG3  ARG   6           HG1      ARG   6 -15.466   2.914   4.581
   47    HD2  ARG   6           HD2      ARG   6 -17.674   2.871   4.055
   48    HD3  ARG   6           HD1      ARG   6 -17.194   4.489   3.535
   49    HE   ARG   6           HE       ARG   6 -17.495   2.062   1.783
   50   HH11  ARG   6          2HH1      ARG   6 -18.128   5.524   2.311
   51   HH12  ARG   6          2HH2      ARG   6 -18.840   5.731   0.728
   52   HH21  ARG   6          1HH1      ARG   6 -18.393   2.394  -0.230
   53   HH22  ARG   6          1HH2      ARG   6 -19.000   3.973  -0.688
   54    H    ASP   7           H        ASP   7 -14.782   6.567   1.057
   55    HA   ASP   7           HA       ASP   7 -12.290   7.296  -0.254
   56    HB2  ASP   7           HB2      ASP   7 -14.735   8.821   0.772
   57    HB3  ASP   7           HB1      ASP   7 -13.427   9.563  -0.069
   58    H    SER   8           H        SER   8 -13.547   7.182   2.978
   59    HA   SER   8           HA       SER   8 -12.236   9.450   3.968
   60    HB2  SER   8           HB2      SER   8 -13.844   7.195   5.216
   61    HB3  SER   8           HB1      SER   8 -13.297   8.609   6.112
   62    HG   SER   8           HG       SER   8 -15.364   8.978   5.231
   63    H    GLY   9           H        GLY   9 -10.437   6.986   3.052
   64    HA2  GLY   9           HA2      GLY   9  -8.747   6.917   5.479
   65    HA3  GLY   9           HA1      GLY   9  -8.967   5.514   4.431
   66    H    TYR  10           H        TYR  10  -6.886   6.853   1.882
   67    HA   TYR  10           HA       TYR  10  -6.899   4.754   3.859
   68    HB2  TYR  10           HB2      TYR  10  -8.999   5.150   1.938
   69    HB3  TYR  10           HB1      TYR  10  -7.967   3.958   1.223
   70    HD1  TYR  10           HD1      TYR  10  -7.055   2.330   3.550
   71    HD2  TYR  10           HD2      TYR  10 -10.849   4.190   2.842
   72    HE1  TYR  10           HE1      TYR  10  -8.117   0.615   4.899
   73    HE2  TYR  10           HE2      TYR  10 -11.956   2.430   4.160
   74    HH   TYR  10           HH       TYR  10 -11.706   0.455   5.310
   75    H    GLU  11           H        GLU  11  -5.393   3.125   3.281
   76    HA   GLU  11           HA       GLU  11  -5.081   2.871   0.390
   77    HB2  GLU  11           HB2      GLU  11  -2.884   3.495   1.350
   78    HB3  GLU  11           HB1      GLU  11  -2.990   2.141   2.459
   79    HG2  GLU  11           HG2      GLU  11  -3.324   0.690   0.269
   80    HG3  GLU  11           HG1      GLU  11  -2.633   2.055  -0.576
   81    H    VAL  12           H        VAL  12  -6.786   1.483   0.279
   82    HA   VAL  12           HA       VAL  12  -7.741  -0.193   2.233
   83    HB   VAL  12           HB       VAL  12  -8.157  -0.121  -0.762
   84   HG11  VAL  12          HG11      VAL  12 -10.211  -1.502  -0.353
   85   HG12  VAL  12          HG12      VAL  12  -8.738  -2.418  -0.118
   86   HG13  VAL  12          HG13      VAL  12  -9.648  -1.818   1.295
   87   HG21  VAL  12          HG21      VAL  12 -10.309   0.856  -0.062
   88   HG22  VAL  12          HG22      VAL  12  -9.858   0.645   1.650
   89   HG23  VAL  12          HG23      VAL  12  -8.957   1.778   0.605
   90    H    HIS  13           H        HIS  13  -5.011  -0.823   0.211
   91    HA   HIS  13           HA       HIS  13  -5.270  -3.543   0.059
   92    HB2  HIS  13           HB2      HIS  13  -3.683  -2.175  -1.223
   93    HB3  HIS  13           HB1      HIS  13  -2.804  -1.789   0.266
   94    HD1  HIS  13           HD1      HIS  13  -3.521  -4.888  -1.931
   95    HD2  HIS  13           HD2      HIS  13  -0.825  -3.360   0.910
   96    HE1  HIS  13           HE1      HIS  13  -1.659  -6.599  -1.700
   97    H    HIS  14           H        HIS  14  -4.601  -1.664   2.842
   98    HA   HIS  14           HA       HIS  14  -3.529  -3.967   4.382
   99    HB2  HIS  14           HB2      HIS  14  -3.630  -0.981   4.948
  100    HB3  HIS  14           HB1      HIS  14  -2.995  -2.176   6.052
  101    HD1  HIS  14           HD1      HIS  14  -0.778  -3.683   4.919
  102    HD2  HIS  14           HD2      HIS  14  -2.021  -0.068   3.211
  103    HE1  HIS  14           HE1      HIS  14   1.087  -2.934   3.329
  104    H    GLN  15           H        GLN  15  -6.564  -2.832   3.657
  105    HA   GLN  15           HA       GLN  15  -7.572  -3.999   6.102
  106    HB2  GLN  15           HB2      GLN  15  -8.520  -1.543   4.672
  107    HB3  GLN  15           HB1      GLN  15  -9.696  -2.533   5.477
  108    HG2  GLN  15           HG2      GLN  15  -7.246  -1.425   6.900
  109    HG3  GLN  15           HG1      GLN  15  -8.834  -0.678   6.916
  110   HE21  GLN  15          HE21      GLN  15  -8.525  -0.942   9.299
  111   HE22  GLN  15          HE22      GLN  15  -9.040  -2.450  10.029
  112    H    LYS  16           H        LYS  16  -9.891  -4.750   5.755
  113    HA   LYS  16           HA       LYS  16  -9.621  -6.650   3.465
  114    HB2  LYS  16           HB2      LYS  16 -10.758  -7.108   6.249
  115    HB3  LYS  16           HB1      LYS  16 -10.608  -8.309   4.955
  116    HG2  LYS  16           HG2      LYS  16  -8.117  -7.910   4.952
  117    HG3  LYS  16           HG1      LYS  16  -8.332  -6.905   6.393
  118    HD2  LYS  16           HD2      LYS  16  -9.315  -8.889   7.591
  119    HD3  LYS  16           HD1      LYS  16  -9.106  -9.852   6.126
  120    HE2  LYS  16           HE2      LYS  16  -7.265 -10.291   7.643
  121    HE3  LYS  16           HE1      LYS  16  -6.657  -9.440   6.208
  122    HZ1  LYS  16           HZ1      LYS  16  -5.771  -8.577   8.260
  123    HZ2  LYS  16           HZ2      LYS  16  -6.615  -7.432   7.441
  124    HZ3  LYS  16           HZ3      LYS  16  -7.282  -8.152   8.766
  125    HN1  NH2  17           H2       NH2  17 -13.349  -5.048   4.213
  126    HN2  NH2  17           H1       NH2  17 -12.060  -4.773   5.361
  127    H1   ACE   0           H1       ACE   0  11.268   5.866  -3.810
  128    H2   ACE   0           H2       ACE   0  10.147   6.721  -4.863
  129    H3   ACE   0           H3       ACE   0  10.196   4.948  -4.878
  130    H    ASP   1           H        ASP   1  13.355   5.769  -4.535
  131    HA   ASP   1           HA       ASP   1  13.958   6.217  -7.392
  132    HB2  ASP   1           HB2      ASP   1  15.119   7.531  -5.530
  133    HB3  ASP   1           HB1      ASP   1  15.869   6.016  -5.040
  134    H    ALA   2           H        ALA   2  15.676   4.910  -8.366
  135    HA   ALA   2           HA       ALA   2  14.838   2.339  -8.764
  136    HB1  ALA   2           HB1      ALA   2  16.932   2.045  -9.978
  137    HB2  ALA   2           HB2      ALA   2  16.201   3.632 -10.309
  138    HB3  ALA   2           HB3      ALA   2  17.597   3.505  -9.214
  139    H    GLU   3           H        GLU   3  17.289   3.315  -6.426
  140    HA   GLU   3           HA       GLU   3  18.606   0.822  -6.189
  141    HB2  GLU   3           HB2      GLU   3  18.300   2.978  -4.086
  142    HB3  GLU   3           HB1      GLU   3  19.665   1.851  -4.288
  143    HG2  GLU   3           HG2      GLU   3  19.994   2.994  -6.573
  144    HG3  GLU   3           HG1      GLU   3  18.809   4.198  -5.995
  145    H    PHE   4           H        PHE   4  15.883   2.266  -4.475
  146    HA   PHE   4           HA       PHE   4  15.384  -0.265  -3.007
  147    HB2  PHE   4           HB2      PHE   4  14.484   1.021  -1.245
  148    HB3  PHE   4           HB1      PHE   4  16.095   1.609  -1.645
  149    HD1  PHE   4           HD1      PHE   4  12.539   2.333  -1.723
  150    HD2  PHE   4           HD2      PHE   4  16.444   3.760  -2.657
  151    HE1  PHE   4           HE1      PHE   4  11.623   4.678  -1.855
  152    HE2  PHE   4           HE2      PHE   4  15.570   6.111  -2.816
  153    HZ   PHE   4           HZ       PHE   4  13.168   6.558  -2.406
  154    H    ARG   5           H        ARG   5  14.122   1.528  -5.543
  155    HA   ARG   5           HA       ARG   5  11.481   0.257  -5.456
  156    HB2  ARG   5           HB2      ARG   5  13.100   1.742  -7.510
  157    HB3  ARG   5           HB1      ARG   5  11.665   0.849  -7.971
  158    HG2  ARG   5           HG2      ARG   5  11.763   3.130  -5.940
  159    HG3  ARG   5           HG1      ARG   5  11.132   3.227  -7.581
  160    HD2  ARG   5           HD2      ARG   5   9.903   1.828  -5.225
  161    HD3  ARG   5           HD1      ARG   5   9.225   3.106  -6.221
  162    HE   ARG   5           HE       ARG   5   9.298   0.225  -6.698
  163   HH11  ARG   5          2HH1      ARG   5   8.918   3.367  -8.349
  164   HH12  ARG   5          2HH2      ARG   5   8.194   2.616  -9.751
  165   HH21  ARG   5          1HH1      ARG   5   8.492  -0.656  -8.535
  166   HH22  ARG   5          1HH2      ARG   5   8.022   0.347  -9.885
  167    H    ARG   6           H        ARG   6  12.407  -1.673  -4.659
  168    HA   ARG   6           HA       ARG   6  13.653  -3.458  -6.591
  169    HB2  ARG   6           HB2      ARG   6  13.708  -3.245  -3.563
  170    HB3  ARG   6           HB1      ARG   6  14.475  -4.578  -4.462
  171    HG2  ARG   6           HG2      ARG   6  15.140  -1.625  -4.682
  172    HG3  ARG   6           HG1      ARG   6  15.983  -2.774  -3.639
  173    HD2  ARG   6           HD2      ARG   6  17.446  -2.853  -5.354
  174    HD3  ARG   6           HD1      ARG   6  16.322  -4.074  -5.962
  175    HE   ARG   6           HE       ARG   6  16.224  -1.192  -6.750
  176   HH11  ARG   6          2HH1      ARG   6  16.482  -4.604  -7.738
  177   HH12  ARG   6          2HH2      ARG   6  16.368  -4.227  -9.434
  178   HH21  ARG   6          1HH1      ARG   6  16.006  -0.775  -8.960
  179   HH22  ARG   6          1HH2      ARG   6  16.098  -2.069 -10.134
  180    H    ASP   7           H        ASP   7  12.857  -5.607  -6.683
  181    HA   ASP   7           HA       ASP   7  10.175  -6.194  -5.745
  182    HB2  ASP   7           HB2      ASP   7  12.372  -7.826  -7.030
  183    HB3  ASP   7           HB1      ASP   7  10.789  -8.489  -6.602
  184    H    SER   8           H        SER   8  13.231  -6.231  -4.264
  185    HA   SER   8           HA       SER   8  13.090  -8.564  -2.759
  186    HB2  SER   8           HB2      SER   8  14.795  -6.100  -2.319
  187    HB3  SER   8           HB1      SER   8  15.103  -7.725  -1.670
  188    HG   SER   8           HG       SER   8  16.227  -7.173  -3.649
  189    H    GLY   9           H        GLY   9  10.809  -6.434  -2.323
  190    HA2  GLY   9           HA2      GLY   9  10.604  -6.848   0.589
  191    HA3  GLY   9           HA1      GLY   9  10.296  -5.265  -0.072
  192    H    TYR  10           H        TYR  10   7.247  -6.234  -1.719
  193    HA   TYR  10           HA       TYR  10   8.219  -4.314   0.109
  194    HB2  TYR  10           HB2      TYR  10   9.562  -4.662  -2.420
  195    HB3  TYR  10           HB1      TYR  10   8.501  -3.331  -2.637
  196    HD1  TYR  10           HD1      TYR  10   8.597  -2.094   0.143
  197    HD2  TYR  10           HD2      TYR  10  11.689  -3.846  -2.259
  198    HE1  TYR  10           HE1      TYR  10  10.216  -0.559   1.149
  199    HE2  TYR  10           HE2      TYR  10  13.337  -2.300  -1.265
  200    HH   TYR  10           HH       TYR  10  13.659  -0.448   0.097
  201    H    GLU  11           H        GLU  11   6.871  -2.560   0.139
  202    HA   GLU  11           HA       GLU  11   5.329  -1.959  -2.233
  203    HB2  GLU  11           HB2      GLU  11   3.841  -3.118  -0.502
  204    HB3  GLU  11           HB1      GLU  11   4.167  -1.747   0.562
  205    HG2  GLU  11           HG2      GLU  11   3.430  -0.433  -1.727
  206    HG3  GLU  11           HG1      GLU  11   2.482  -1.925  -1.876
  207    H    VAL  12           H        VAL  12   7.082  -0.564  -2.527
  208    HA   VAL  12           HA       VAL  12   8.644   0.637  -0.699
  209    HB   VAL  12           HB       VAL  12   8.186   1.417  -3.594
  210   HG11  VAL  12          HG11      VAL  12  10.629   2.254  -3.390
  211   HG12  VAL  12          HG12      VAL  12   9.427   3.246  -2.595
  212   HG13  VAL  12          HG13      VAL  12  10.415   2.122  -1.641
  213   HG21  VAL  12          HG21      VAL  12  10.124  -0.016  -3.994
  214   HG22  VAL  12          HG22      VAL  12  10.295  -0.320  -2.256
  215   HG23  VAL  12          HG23      VAL  12   8.905  -0.954  -3.157
  216    H    HIS  13           H        HIS  13   5.613   1.813  -1.880
  217    HA   HIS  13           HA       HIS  13   6.164   4.482  -1.887
  218    HB2  HIS  13           HB2      HIS  13   3.397   3.404  -1.308
  219    HB3  HIS  13           HB1      HIS  13   3.893   4.834  -2.240
  220    HD1  HIS  13           HD1      HIS  13   5.673   3.860  -4.455
  221    HD2  HIS  13           HD2      HIS  13   2.619   1.478  -2.833
  222    HE1  HIS  13           HE1      HIS  13   5.279   1.955  -6.109
  223    H    HIS  14           H        HIS  14   5.552   2.454   0.842
  224    HA   HIS  14           HA       HIS  14   6.217   4.725   2.530
  225    HB2  HIS  14           HB2      HIS  14   4.377   4.529   4.074
  226    HB3  HIS  14           HB1      HIS  14   3.752   4.879   2.465
  227    HD1  HIS  14           HD1      HIS  14   3.705   2.174   5.124
  228    HD2  HIS  14           HD2      HIS  14   2.456   2.850   1.167
  229    HE1  HIS  14           HE1      HIS  14   2.033   0.312   4.531
  230    H    GLN  15           H        GLN  15   6.919   1.728   1.676
  231    HA   GLN  15           HA       GLN  15   7.820   0.900   4.320
  232    HB2  GLN  15           HB2      GLN  15   7.826  -0.509   1.644
  233    HB3  GLN  15           HB1      GLN  15   8.496  -1.163   3.132
  234    HG2  GLN  15           HG2      GLN  15   6.277  -1.079   4.199
  235    HG3  GLN  15           HG1      GLN  15   5.555  -0.476   2.718
  236   HE21  GLN  15          HE21      GLN  15   4.215  -2.493   3.019
  237   HE22  GLN  15          HE22      GLN  15   4.836  -3.995   2.355
  238    H    LYS  16           H        LYS  16  10.010   0.164   4.438
  239    HA   LYS  16           HA       LYS  16  11.951   1.328   2.537
  240    HB2  LYS  16           HB2      LYS  16  11.941   1.830   5.546
  241    HB3  LYS  16           HB1      LYS  16  13.263   2.234   4.436
  242    HG2  LYS  16           HG2      LYS  16  11.624   3.638   3.109
  243    HG3  LYS  16           HG1      LYS  16  10.448   3.399   4.421
  244    HD2  LYS  16           HD2      LYS  16  11.974   4.479   6.020
  245    HD3  LYS  16           HD1      LYS  16  13.202   4.640   4.729
  246    HE2  LYS  16           HE2      LYS  16  11.676   5.962   3.385
  247    HE3  LYS  16           HE1      LYS  16  10.443   5.879   4.663
  248    HZ1  LYS  16           HZ1      LYS  16  11.726   7.894   4.729
  249    HZ2  LYS  16           HZ2      LYS  16  11.911   7.011   6.109
  250    HZ3  LYS  16           HZ3      LYS  16  13.116   7.024   4.986
  251    HN1  NH2  17           H2       NH2  17  14.377  -1.087   3.566
  252    HN2  NH2  17           H1       NH2  17  14.189   0.563   3.019
  Start of MODEL    2
    1    H1   ACE   0           H1       ACE   0 -11.365  -3.131  -3.600
    2    H2   ACE   0           H2       ACE   0 -10.995  -3.567  -1.919
    3    H3   ACE   0           H3       ACE   0 -11.204  -4.837  -3.146
    4    H    ASP   1           H        ASP   1 -12.708  -4.513  -0.611
    5    HA   ASP   1           HA       ASP   1 -15.346  -4.961  -1.594
    6    HB2  ASP   1           HB2      ASP   1 -14.190  -5.852   0.546
    7    HB3  ASP   1           HB1      ASP   1 -14.622  -4.289   1.267
    8    H    ALA   2           H        ALA   2 -17.218  -3.705  -1.295
    9    HA   ALA   2           HA       ALA   2 -17.199  -0.970  -1.776
   10    HB1  ALA   2           HB1      ALA   2 -19.129  -2.456  -2.134
   11    HB2  ALA   2           HB2      ALA   2 -19.288  -2.699  -0.376
   12    HB3  ALA   2           HB3      ALA   2 -19.581  -1.104  -1.080
   13    H    GLU   3           H        GLU   3 -17.505  -2.660   1.393
   14    HA   GLU   3           HA       GLU   3 -17.880  -0.243   2.879
   15    HB2  GLU   3           HB2      GLU   3 -17.782  -1.635   4.813
   16    HB3  GLU   3           HB1      GLU   3 -18.694  -2.475   3.560
   17    HG2  GLU   3           HG2      GLU   3 -16.380  -3.624   3.024
   18    HG3  GLU   3           HG1      GLU   3 -15.896  -3.014   4.595
   19    H    PHE   4           H        PHE   4 -14.958  -1.671   1.631
   20    HA   PHE   4           HA       PHE   4 -13.371  -0.001   3.530
   21    HB2  PHE   4           HB2      PHE   4 -12.408  -2.134   1.625
   22    HB3  PHE   4           HB1      PHE   4 -11.466  -1.296   2.866
   23    HD1  PHE   4           HD2      PHE   4 -13.269  -1.338   5.231
   24    HD2  PHE   4           HD1      PHE   4 -12.463  -4.354   2.273
   25    HE1  PHE   4           HE2      PHE   4 -13.887  -3.102   6.859
   26    HE2  PHE   4           HE1      PHE   4 -13.094  -6.124   3.890
   27    HZ   PHE   4           HZ       PHE   4 -13.807  -5.498   6.196
   28    H    ARG   5           H        ARG   5 -14.405  -0.170   0.182
   29    HA   ARG   5           HA       ARG   5 -12.525   1.880  -0.695
   30    HB2  ARG   5           HB2      ARG   5 -15.051   0.687  -1.903
   31    HB3  ARG   5           HB1      ARG   5 -14.109   1.955  -2.671
   32    HG2  ARG   5           HG2      ARG   5 -13.350  -0.930  -2.266
   33    HG3  ARG   5           HG1      ARG   5 -13.445   0.000  -3.747
   34    HD2  ARG   5           HD2      ARG   5 -11.321   0.136  -1.590
   35    HD3  ARG   5           HD1      ARG   5 -11.144  -0.470  -3.223
   36    HE   ARG   5           HE       ARG   5 -11.920   2.367  -2.880
   37   HH11  ARG   5          1HH1      ARG   5  -9.300   0.094  -3.695
   38   HH12  ARG   5          1HH2      ARG   5  -8.249   1.374  -4.253
   39   HH21  ARG   5          2HH2      ARG   5 -10.500   3.968  -3.610
   40   HH22  ARG   5          2HH1      ARG   5  -8.922   3.535  -4.223
   41    H    ARG   6           H        ARG   6 -13.111   2.931   1.435
   42    HA   ARG   6           HA       ARG   6 -15.481   4.643   1.433
   43    HB2  ARG   6           HB2      ARG   6 -13.271   4.231   3.471
   44    HB3  ARG   6           HB1      ARG   6 -14.763   5.108   3.751
   45    HG2  ARG   6           HG2      ARG   6 -14.540   2.125   3.165
   46    HG3  ARG   6           HG1      ARG   6 -14.692   2.845   4.753
   47    HD2  ARG   6           HD2      ARG   6 -16.859   2.142   4.290
   48    HD3  ARG   6           HD1      ARG   6 -16.888   3.853   3.958
   49    HE   ARG   6           HE       ARG   6 -16.661   1.725   1.863
   50   HH11  ARG   6          2HH1      ARG   6 -18.038   4.853   2.889
   51   HH12  ARG   6          2HH2      ARG   6 -19.038   4.976   1.457
   52   HH21  ARG   6          1HH2      ARG   6 -17.983   1.958   0.048
   53   HH22  ARG   6          1HH1      ARG   6 -19.013   3.361  -0.115
   54    H    ASP   7           H        ASP   7 -15.293   6.913   1.747
   55    HA   ASP   7           HA       ASP   7 -13.199   8.309   0.385
   56    HB2  ASP   7           HB2      ASP   7 -14.334  10.298   1.145
   57    HB3  ASP   7           HB1      ASP   7 -15.497   9.129   0.532
   58    H    SER   8           H        SER   8 -13.913   7.785   3.839
   59    HA   SER   8           HA       SER   8 -11.764   9.426   4.759
   60    HB2  SER   8           HB2      SER   8 -13.663   7.541   6.206
   61    HB3  SER   8           HB1      SER   8 -12.578   8.704   6.990
   62    HG   SER   8           HG       SER   8 -14.647   9.575   6.688
   63    H    GLY   9           H        GLY   9 -10.098   8.087   3.394
   64    HA2  GLY   9           HA2      GLY   9  -8.376   6.837   5.271
   65    HA3  GLY   9           HA1      GLY   9  -9.110   5.627   4.233
   66    H    TYR  10           H        TYR  10  -6.845   6.608   1.619
   67    HA   TYR  10           HA       TYR  10  -6.978   4.552   3.624
   68    HB2  TYR  10           HB2      TYR  10  -9.237   4.957   1.923
   69    HB3  TYR  10           HB1      TYR  10  -8.343   3.666   1.183
   70    HD1  TYR  10           HD1      TYR  10  -7.327   2.042   3.440
   71    HD2  TYR  10           HD2      TYR  10 -11.056   4.135   2.970
   72    HE1  TYR  10           HE1      TYR  10  -8.385   0.459   4.992
   73    HE2  TYR  10           HE2      TYR  10 -12.137   2.538   4.527
   74    HH   TYR  10           HH       TYR  10 -10.395  -0.169   6.033
   75    H    GLU  11           H        GLU  11  -5.733   2.783   2.910
   76    HA   GLU  11           HA       GLU  11  -5.440   2.472   0.047
   77    HB2  GLU  11           HB2      GLU  11  -3.226   3.385   0.934
   78    HB3  GLU  11           HB1      GLU  11  -3.125   1.909   1.898
   79    HG2  GLU  11           HG2      GLU  11  -3.610   0.735  -0.460
   80    HG3  GLU  11           HG1      GLU  11  -2.982   2.264  -1.096
   81    H    VAL  12           H        VAL  12  -6.962   0.983   0.064
   82    HA   VAL  12           HA       VAL  12  -7.730  -0.536   2.255
   83    HB   VAL  12           HB       VAL  12  -8.459  -0.515  -0.679
   84   HG11  VAL  12          HG11      VAL  12  -9.013  -2.806  -0.044
   85   HG12  VAL  12          HG12      VAL  12  -9.749  -2.246   1.472
   86   HG13  VAL  12          HG13      VAL  12 -10.494  -1.846  -0.093
   87   HG21  VAL  12          HG21      VAL  12  -9.048   1.387   0.835
   88   HG22  VAL  12          HG22      VAL  12 -10.463   0.522   0.253
   89   HG23  VAL  12          HG23      VAL  12  -9.868   0.241   1.911
   90    H    HIS  13           H        HIS  13  -5.178  -1.311   0.034
   91    HA   HIS  13           HA       HIS  13  -5.303  -4.075   0.095
   92    HB2  HIS  13           HB2      HIS  13  -2.769  -2.393   0.363
   93    HB3  HIS  13           HB1      HIS  13  -2.878  -4.056  -0.200
   94    HD1  HIS  13           HD1      HIS  13  -2.108  -1.020  -1.697
   95    HD2  HIS  13           HD2      HIS  13  -4.935  -4.004  -2.491
   96    HE1  HIS  13           HE1      HIS  13  -2.712  -0.788  -4.153
   97    H    HIS  14           H        HIS  14  -4.500  -1.890   2.724
   98    HA   HIS  14           HA       HIS  14  -3.247  -4.049   4.321
   99    HB2  HIS  14           HB2      HIS  14  -3.444  -1.050   4.776
  100    HB3  HIS  14           HB1      HIS  14  -2.522  -2.194   5.763
  101    HD1  HIS  14           HD1      HIS  14  -0.700  -3.728   4.067
  102    HD2  HIS  14           HD2      HIS  14  -2.084   0.032   2.848
  103    HE1  HIS  14           HE1      HIS  14   0.838  -2.968   2.179
  104    H    GLN  15           H        GLN  15  -6.416  -3.236   3.819
  105    HA   GLN  15           HA       GLN  15  -7.250  -2.943   6.553
  106    HB2  GLN  15           HB2      GLN  15  -8.462  -1.884   4.767
  107    HB3  GLN  15           HB1      GLN  15  -8.741  -3.430   3.980
  108    HG2  GLN  15           HG2      GLN  15 -10.697  -2.656   5.180
  109    HG3  GLN  15           HG1      GLN  15 -10.147  -4.196   5.827
  110   HE21  GLN  15          HE21      GLN  15 -10.231  -4.251   8.074
  111   HE22  GLN  15          HE22      GLN  15 -10.033  -2.859   9.116
  112    H    LYS  16           H        LYS  16  -8.304  -5.475   4.209
  113    HA   LYS  16           HA       LYS  16  -8.933  -7.208   6.400
  114    HB2  LYS  16           HB2      LYS  16 -10.293  -6.990   4.395
  115    HB3  LYS  16           HB1      LYS  16  -8.995  -7.684   3.400
  116    HG2  LYS  16           HG2      LYS  16  -9.183  -9.815   4.483
  117    HG3  LYS  16           HG1      LYS  16 -10.200  -9.151   5.783
  118    HD2  LYS  16           HD2      LYS  16 -11.994  -8.708   4.141
  119    HD3  LYS  16           HD1      LYS  16 -11.017  -9.379   2.853
  120    HE2  LYS  16           HE2      LYS  16 -10.882 -11.553   3.966
  121    HE3  LYS  16           HE1      LYS  16 -11.729 -10.903   5.383
  122    HZ1  LYS  16           HZ1      LYS  16 -13.632 -10.532   4.034
  123    HZ2  LYS  16           HZ2      LYS  16 -12.863 -11.094   2.691
  124    HZ3  LYS  16           HZ3      LYS  16 -13.192 -12.115   3.939
  125    HN1  NH2  17           H2       NH2  17  -6.036  -6.971   4.391
  126    HN2  NH2  17           H1       NH2  17  -5.281  -8.414   5.028
  127    H1   ACE   0           H1       ACE   0  22.177   6.185  -4.445
  128    H2   ACE   0           H2       ACE   0  23.091   6.346  -2.926
  129    H3   ACE   0           H3       ACE   0  22.971   4.772  -3.731
  130    H    ASP   1           H        ASP   1  20.460   4.313  -4.263
  131    HA   ASP   1           HA       ASP   1  18.829   4.610  -1.779
  132    HB2  ASP   1           HB2      ASP   1  18.168   4.075  -4.712
  133    HB3  ASP   1           HB1      ASP   1  17.005   3.880  -3.408
  134    H    ALA   2           H        ALA   2  20.579   2.381  -3.736
  135    HA   ALA   2           HA       ALA   2  19.191   0.105  -3.948
  136    HB1  ALA   2           HB1      ALA   2  21.360  -1.065  -3.871
  137    HB2  ALA   2           HB2      ALA   2  21.468   0.456  -4.777
  138    HB3  ALA   2           HB3      ALA   2  22.102   0.359  -3.118
  139    H    GLU   3           H        GLU   3  20.746   1.143  -0.921
  140    HA   GLU   3           HA       GLU   3  20.682  -1.193   0.561
  141    HB2  GLU   3           HB2      GLU   3  20.795   0.288   2.518
  142    HB3  GLU   3           HB1      GLU   3  21.907   0.753   1.233
  143    HG2  GLU   3           HG2      GLU   3  20.261   2.526   0.506
  144    HG3  GLU   3           HG1      GLU   3  19.243   2.091   1.880
  145    H    PHE   4           H        PHE   4  17.970   1.073   0.039
  146    HA   PHE   4           HA       PHE   4  16.241  -0.836   1.540
  147    HB2  PHE   4           HB2      PHE   4  14.760   0.880   1.985
  148    HB3  PHE   4           HB1      PHE   4  16.344   1.568   2.319
  149    HD1  PHE   4           HD1      PHE   4  13.443   1.589   0.053
  150    HD2  PHE   4           HD2      PHE   4  17.321   3.249   0.817
  151    HE1  PHE   4           HE1      PHE   4  12.892   3.531  -1.423
  152    HE2  PHE   4           HE2      PHE   4  16.789   5.176  -0.662
  153    HZ   PHE   4           HZ       PHE   4  14.582   5.312  -1.796
  154    H    ARG   5           H        ARG   5  17.033   0.405  -1.632
  155    HA   ARG   5           HA       ARG   5  14.567  -0.690  -2.778
  156    HB2  ARG   5           HB2      ARG   5  17.027   0.553  -4.028
  157    HB3  ARG   5           HB1      ARG   5  15.665  -0.092  -4.949
  158    HG2  ARG   5           HG2      ARG   5  15.638   2.239  -3.012
  159    HG3  ARG   5           HG1      ARG   5  15.384   2.292  -4.756
  160    HD2  ARG   5           HD2      ARG   5  13.518   1.128  -2.644
  161    HD3  ARG   5           HD1      ARG   5  13.288   2.599  -3.548
  162    HE   ARG   5           HE       ARG   5  13.137  -0.182  -4.600
  163   HH11  ARG   5          2HH1      ARG   5  12.439   3.255  -5.131
  164   HH12  ARG   5          2HH2      ARG   5  11.217   2.921  -6.336
  165   HH21  ARG   5          1HH1      ARG   5  11.491  -0.559  -6.099
  166   HH22  ARG   5          1HH2      ARG   5  10.680   0.786  -6.872
  167    H    ARG   6           H        ARG   6  15.465  -2.468  -1.244
  168    HA   ARG   6           HA       ARG   6  17.120  -4.531  -2.306
  169    HB2  ARG   6           HB2      ARG   6  14.881  -4.430  -0.271
  170    HB3  ARG   6           HB1      ARG   6  15.994  -5.797  -0.442
  171    HG2  ARG   6           HG2      ARG   6  16.752  -2.957   0.414
  172    HG3  ARG   6           HG1      ARG   6  16.417  -4.306   1.487
  173    HD2  ARG   6           HD2      ARG   6  18.707  -4.197   1.454
  174    HD3  ARG   6           HD1      ARG   6  18.297  -5.578   0.436
  175    HE   ARG   6           HE       ARG   6  18.997  -2.851  -0.612
  176   HH11  ARG   6          1HH2      ARG   6  19.518  -6.366  -0.786
  177   HH12  ARG   6          1HH1      ARG   6  20.512  -6.244  -2.216
  178   HH21  ARG   6          2HH1      ARG   6  20.278  -2.772  -2.468
  179   HH22  ARG   6          2HH2      ARG   6  20.941  -4.242  -3.149
  180    H    ASP   7           H        ASP   7  16.368  -6.543  -3.163
  181    HA   ASP   7           HA       ASP   7  14.236  -6.449  -5.038
  182    HB2  ASP   7           HB2      ASP   7  14.696  -8.942  -5.171
  183    HB3  ASP   7           HB1      ASP   7  16.038  -7.858  -5.523
  184    H    SER   8           H        SER   8  14.403  -7.868  -1.780
  185    HA   SER   8           HA       SER   8  11.960  -9.309  -2.108
  186    HB2  SER   8           HB2      SER   8  13.672  -8.821   0.355
  187    HB3  SER   8           HB1      SER   8  12.418 -10.067   0.172
  188    HG   SER   8           HG       SER   8  14.717  -9.844  -1.474
  189    H    GLY   9           H        GLY   9   9.886  -8.395  -1.909
  190    HA2  GLY   9           HA2      GLY   9   8.803  -7.246   0.303
  191    HA3  GLY   9           HA1      GLY   9   9.516  -5.884  -0.538
  192    H    TYR  10           H        TYR  10   6.703  -5.941  -2.810
  193    HA   TYR  10           HA       TYR  10   7.642  -4.506  -0.502
  194    HB2  TYR  10           HB2      TYR  10   9.428  -4.772  -2.658
  195    HB3  TYR  10           HB1      TYR  10   8.649  -3.256  -2.993
  196    HD1  TYR  10           HD2      TYR  10   8.272  -2.390   0.025
  197    HD2  TYR  10           HD1      TYR  10  11.559  -4.044  -2.208
  198    HE1  TYR  10           HE2      TYR  10   9.824  -1.295   1.556
  199    HE2  TYR  10           HE1      TYR  10  13.140  -2.988  -0.642
  200    HH   TYR  10           HH       TYR  10  13.368  -1.570   1.211
  201    H    GLU  11           H        GLU  11   6.569  -2.560  -0.295
  202    HA   GLU  11           HA       GLU  11   5.349  -1.346  -2.671
  203    HB2  GLU  11           HB2      GLU  11   3.624  -2.580  -1.256
  204    HB3  GLU  11           HB1      GLU  11   3.977  -1.423   0.028
  205    HG2  GLU  11           HG2      GLU  11   3.531   0.329  -1.957
  206    HG3  GLU  11           HG1      GLU  11   2.664  -1.045  -2.669
  207    H    VAL  12           H        VAL  12   7.407  -0.315  -2.576
  208    HA   VAL  12           HA       VAL  12   8.846   0.536  -0.475
  209    HB   VAL  12           HB       VAL  12   8.779   1.475  -3.348
  210   HG11  VAL  12          HG11      VAL  12  11.089   2.313  -3.013
  211   HG12  VAL  12          HG12      VAL  12   9.916   3.279  -2.143
  212   HG13  VAL  12          HG13      VAL  12  10.911   2.093  -1.259
  213   HG21  VAL  12          HG21      VAL  12  10.705  -0.037  -3.535
  214   HG22  VAL  12          HG22      VAL  12  10.662  -0.357  -1.792
  215   HG23  VAL  12          HG23      VAL  12   9.344  -0.914  -2.849
  216    H    HIS  13           H        HIS  13   6.174   2.449  -1.855
  217    HA   HIS  13           HA       HIS  13   7.139   4.938  -0.924
  218    HB2  HIS  13           HB2      HIS  13   4.350   4.035  -1.713
  219    HB3  HIS  13           HB1      HIS  13   4.757   5.700  -1.302
  220    HD1  HIS  13           HD1      HIS  13   3.713   5.389  -4.129
  221    HD2  HIS  13           HD2      HIS  13   7.759   5.007  -3.064
  222    HE1  HIS  13           HE1      HIS  13   5.079   5.890  -6.227
  223    H    HIS  14           H        HIS  14   5.906   2.379   0.968
  224    HA   HIS  14           HA       HIS  14   5.010   4.102   3.183
  225    HB2  HIS  14           HB2      HIS  14   5.507   1.118   2.878
  226    HB3  HIS  14           HB1      HIS  14   5.099   1.862   4.420
  227    HD1  HIS  14           HD1      HIS  14   2.669   3.223   4.475
  228    HD2  HIS  14           HD2      HIS  14   3.483   0.533   1.357
  229    HE1  HIS  14           HE1      HIS  14   0.416   2.638   3.412
  230    H    GLN  15           H        GLN  15   8.103   2.845   2.040
  231    HA   GLN  15           HA       GLN  15   8.946   2.195   4.637
  232    HB2  GLN  15           HB2      GLN  15  10.703   1.142   3.733
  233    HB3  GLN  15           HB1      GLN  15   9.537   1.097   2.447
  234    HG2  GLN  15           HG2      GLN  15  11.492   1.614   1.316
  235    HG3  GLN  15           HG1      GLN  15  10.779   3.208   1.529
  236   HE21  GLN  15          HE22      GLN  15  12.649   4.536   1.746
  237   HE22  GLN  15          HE21      GLN  15  13.929   4.237   2.898
  238    H    LYS  16           H        LYS  16  10.552   2.791   5.881
  239    HA   LYS  16           HA       LYS  16  11.238   5.694   5.934
  240    HB2  LYS  16           HB2      LYS  16   9.959   3.879   8.017
  241    HB3  LYS  16           HB1      LYS  16  10.749   5.398   8.457
  242    HG2  LYS  16           HG2      LYS  16   9.274   6.693   7.068
  243    HG3  LYS  16           HG1      LYS  16   8.496   5.256   6.408
  244    HD2  LYS  16           HD2      LYS  16   8.446   6.017   9.353
  245    HD3  LYS  16           HD1      LYS  16   7.185   6.464   8.206
  246    HE2  LYS  16           HE2      LYS  16   7.991   3.605   8.896
  247    HE3  LYS  16           HE1      LYS  16   6.619   4.482   9.589
  248    HZ1  LYS  16           HZ1      LYS  16   5.766   4.728   7.340
  249    HZ2  LYS  16           HZ2      LYS  16   6.957   3.740   6.790
  250    HZ3  LYS  16           HZ3      LYS  16   5.841   3.164   7.851
  251    HN1  NH2  17           H2       NH2  17  12.562   2.559   5.892
  252    HN2  NH2  17           H1       NH2  17  14.034   2.910   6.771
  Start of MODEL    3
    1    H1   ACE   0           H1       ACE   0  -9.682  -3.268  -2.991
    2    H2   ACE   0           H2       ACE   0 -10.795  -3.730  -1.683
    3    H3   ACE   0           H3       ACE   0 -10.237  -4.953  -2.831
    4    H    ASP   1           H        ASP   1 -12.829  -4.910  -2.572
    5    HA   ASP   1           HA       ASP   1 -14.047  -4.130  -5.010
    6    HB2  ASP   1           HB2      ASP   1 -14.632  -5.975  -3.229
    7    HB3  ASP   1           HB1      ASP   1 -15.547  -4.693  -2.439
    8    H    ALA   2           H        ALA   2 -16.155  -2.729  -4.954
    9    HA   ALA   2           HA       ALA   2 -15.314  -0.107  -4.794
   10    HB1  ALA   2           HB1      ALA   2 -17.710   0.424  -5.253
   11    HB2  ALA   2           HB2      ALA   2 -17.107  -0.907  -6.259
   12    HB3  ALA   2           HB3      ALA   2 -18.128  -1.258  -4.847
   13    H    GLU   3           H        GLU   3 -17.271  -1.865  -2.414
   14    HA   GLU   3           HA       GLU   3 -17.864   0.238  -0.611
   15    HB2  GLU   3           HB2      GLU   3 -18.344  -1.591   0.927
   16    HB3  GLU   3           HB1      GLU   3 -18.960  -1.966  -0.690
   17    HG2  GLU   3           HG2      GLU   3 -16.821  -3.301  -1.087
   18    HG3  GLU   3           HG1      GLU   3 -16.426  -3.023   0.618
   19    H    PHE   4           H        PHE   4 -14.802  -1.143  -1.274
   20    HA   PHE   4           HA       PHE   4 -13.683  -0.039   1.248
   21    HB2  PHE   4           HB2      PHE   4 -12.400  -1.928  -0.749
   22    HB3  PHE   4           HB1      PHE   4 -11.735  -1.383   0.793
   23    HD1  PHE   4           HD1      PHE   4 -13.216  -1.791   2.910
   24    HD2  PHE   4           HD2      PHE   4 -13.713  -3.904  -0.793
   25    HE1  PHE   4           HE1      PHE   4 -14.366  -3.635   4.119
   26    HE2  PHE   4           HE2      PHE   4 -14.855  -5.760   0.407
   27    HZ   PHE   4           HZ       PHE   4 -15.167  -5.619   2.883
   28    H    ARG   5           H        ARG   5 -13.706   0.326  -2.276
   29    HA   ARG   5           HA       ARG   5 -11.523   2.183  -2.393
   30    HB2  ARG   5           HB2      ARG   5 -13.874   1.723  -4.246
   31    HB3  ARG   5           HB1      ARG   5 -12.463   2.701  -4.642
   32    HG2  ARG   5           HG2      ARG   5 -12.568  -0.293  -4.248
   33    HG3  ARG   5           HG1      ARG   5 -12.193   0.593  -5.708
   34    HD2  ARG   5           HD2      ARG   5 -10.468   0.319  -3.222
   35    HD3  ARG   5           HD1      ARG   5 -10.150  -0.358  -4.812
   36    HE   ARG   5           HE       ARG   5  -9.638   2.334  -3.870
   37   HH11  ARG   5          1HH1      ARG   5 -10.130   0.497  -6.874
   38   HH12  ARG   5          1HH2      ARG   5  -9.297   1.691  -7.842
   39   HH21  ARG   5          2HH2      ARG   5  -8.603   3.838  -5.159
   40   HH22  ARG   5          2HH1      ARG   5  -8.454   3.576  -6.881
   41    H    ARG   6           H        ARG   6 -13.836   2.662  -0.387
   42    HA   ARG   6           HA       ARG   6 -15.103   5.108  -0.803
   43    HB2  ARG   6           HB2      ARG   6 -13.838   4.000   1.730
   44    HB3  ARG   6           HB1      ARG   6 -15.101   5.232   1.659
   45    HG2  ARG   6           HG2      ARG   6 -15.333   2.327   0.792
   46    HG3  ARG   6           HG1      ARG   6 -15.950   3.019   2.278
   47    HD2  ARG   6           HD2      ARG   6 -17.872   2.978   1.021
   48    HD3  ARG   6           HD1      ARG   6 -17.298   4.616   0.697
   49    HE   ARG   6           HE       ARG   6 -16.701   2.305  -1.115
   50   HH11  ARG   6          2HH1      ARG   6 -18.093   5.577  -0.771
   51   HH12  ARG   6          2HH2      ARG   6 -18.361   5.733  -2.490
   52   HH21  ARG   6          1HH2      ARG   6 -17.075   2.588  -3.302
   53   HH22  ARG   6          1HH1      ARG   6 -17.799   4.061  -3.902
   54    H    ASP   7           H        ASP   7 -14.486   7.220  -0.556
   55    HA   ASP   7           HA       ASP   7 -11.725   8.060  -0.555
   56    HB2  ASP   7           HB2      ASP   7 -13.964   9.220  -1.430
   57    HB3  ASP   7           HB1      ASP   7 -14.057   9.825   0.219
   58    H    SER   8           H        SER   8 -14.081   7.226   1.870
   59    HA   SER   8           HA       SER   8 -13.417   8.834   4.002
   60    HB2  SER   8           HB2      SER   8 -14.475   5.980   4.011
   61    HB3  SER   8           HB1      SER   8 -14.646   7.168   5.318
   62    HG   SER   8           HG       SER   8 -16.404   7.665   4.300
   63    H    GLY   9           H        GLY   9 -11.117   6.726   2.714
   64    HA2  GLY   9           HA2      GLY   9  -9.698   6.541   5.319
   65    HA3  GLY   9           HA1      GLY   9  -9.688   5.233   4.136
   66    H    TYR  10           H        TYR  10  -7.200   6.927   2.161
   67    HA   TYR  10           HA       TYR  10  -7.638   4.518   3.641
   68    HB2  TYR  10           HB2      TYR  10  -9.510   5.209   1.595
   69    HB3  TYR  10           HB1      TYR  10  -8.418   4.106   0.829
   70    HD1  TYR  10           HD1      TYR  10  -7.741   2.203   3.070
   71    HD2  TYR  10           HD2      TYR  10 -11.465   4.099   2.061
   72    HE1  TYR  10           HE1      TYR  10  -8.950   0.325   4.053
   73    HE2  TYR  10           HE2      TYR  10 -12.693   2.195   2.997
   74    HH   TYR  10           HH       TYR  10 -12.537   0.113   3.995
   75    H    GLU  11           H        GLU  11  -6.044   3.014   3.179
   76    HA   GLU  11           HA       GLU  11  -4.973   3.076   0.458
   77    HB2  GLU  11           HB2      GLU  11  -3.214   3.941   2.101
   78    HB3  GLU  11           HB1      GLU  11  -3.182   2.311   2.774
   79    HG2  GLU  11           HG2      GLU  11  -3.050   1.850   0.015
   80    HG3  GLU  11           HG1      GLU  11  -2.192   3.372   0.159
   81    H    VAL  12           H        VAL  12  -6.694   1.708   0.114
   82    HA   VAL  12           HA       VAL  12  -7.861  -0.177   1.655
   83    HB   VAL  12           HB       VAL  12  -7.678   0.073  -1.367
   84   HG11  VAL  12          HG11      VAL  12  -8.439  -2.221  -0.977
   85   HG12  VAL  12          HG12      VAL  12  -9.558  -1.677   0.278
   86   HG13  VAL  12          HG13      VAL  12  -9.831  -1.240  -1.425
   87   HG21  VAL  12          HG21      VAL  12  -9.887   1.087  -1.071
   88   HG22  VAL  12          HG22      VAL  12  -9.801   0.773   0.688
   89   HG23  VAL  12          HG23      VAL  12  -8.713   1.944  -0.071
   90    H    HIS  13           H        HIS  13  -4.933  -0.686  -0.208
   91    HA   HIS  13           HA       HIS  13  -4.945  -3.443  -0.433
   92    HB2  HIS  13           HB2      HIS  13  -3.275  -2.233  -1.560
   93    HB3  HIS  13           HB1      HIS  13  -2.872  -1.278  -0.132
   94    HD1  HIS  13           HD1      HIS  13  -0.821  -2.002   1.203
   95    HD2  HIS  13           HD2      HIS  13  -2.362  -4.969  -1.339
   96    HE1  HIS  13           HE1      HIS  13   0.796  -3.970   1.317
   97    H    HIS  14           H        HIS  14  -4.429  -1.539   2.560
   98    HA   HIS  14           HA       HIS  14  -3.355  -3.906   3.961
   99    HB2  HIS  14           HB2      HIS  14  -3.892  -1.056   4.800
  100    HB3  HIS  14           HB1      HIS  14  -3.213  -2.288   5.876
  101    HD1  HIS  14           HD1      HIS  14  -0.827  -3.456   4.799
  102    HD2  HIS  14           HD2      HIS  14  -2.177   0.279   3.453
  103    HE1  HIS  14           HE1      HIS  14   1.152  -2.358   3.615
  104    H    GLN  15           H        GLN  15  -6.486  -3.091   3.177
  105    HA   GLN  15           HA       GLN  15  -7.595  -4.280   5.653
  106    HB2  GLN  15           HB2      GLN  15  -8.377  -1.726   4.214
  107    HB3  GLN  15           HB1      GLN  15  -9.511  -2.594   5.244
  108    HG2  GLN  15           HG2      GLN  15  -6.819  -1.528   6.179
  109    HG3  GLN  15           HG1      GLN  15  -8.369  -0.728   6.429
  110   HE21  GLN  15          HE21      GLN  15  -6.141  -3.031   7.678
  111   HE22  GLN  15          HE22      GLN  15  -7.150  -3.644   8.973
  112    H    LYS  16           H        LYS  16  -8.737  -3.008   2.522
  113    HA   LYS  16           HA       LYS  16 -10.011  -3.771   0.920
  114    HB2  LYS  16           HB2      LYS  16  -9.283  -5.783  -0.230
  115    HB3  LYS  16           HB1      LYS  16  -7.984  -4.725   0.243
  116    HG2  LYS  16           HG2      LYS  16  -7.155  -6.875   0.531
  117    HG3  LYS  16           HG1      LYS  16  -7.435  -6.308   2.146
  118    HD2  LYS  16           HD2      LYS  16  -9.763  -7.600   1.892
  119    HD3  LYS  16           HD1      LYS  16  -8.981  -8.317   0.487
  120    HE2  LYS  16           HE2      LYS  16  -8.517  -9.867   2.160
  121    HE3  LYS  16           HE1      LYS  16  -7.044  -8.875   2.190
  122    HZ1  LYS  16           HZ1      LYS  16  -8.018  -7.652   4.009
  123    HZ2  LYS  16           HZ2      LYS  16  -9.384  -8.562   3.951
  124    HZ3  LYS  16           HZ3      LYS  16  -7.952  -9.253   4.381
  125    HN1  NH2  17           H2       NH2  17 -10.981  -4.681   3.863
  126    HN2  NH2  17           H1       NH2  17 -12.340  -5.678   3.398
  127    H1   ACE   0           H1       ACE   0   8.433   5.208  -4.126
  128    H2   ACE   0           H2       ACE   0   7.737   6.412  -5.221
  129    H3   ACE   0           H3       ACE   0   7.213   4.716  -5.329
  130    H    ASP   1           H        ASP   1  10.395   6.279  -5.060
  131    HA   ASP   1           HA       ASP   1  11.092   6.543  -7.677
  132    HB2  ASP   1           HB2      ASP   1  12.111   7.430  -5.459
  133    HB3  ASP   1           HB1      ASP   1  13.089   5.970  -5.478
  134    H    ALA   2           H        ALA   2  12.631   5.545  -9.047
  135    HA   ALA   2           HA       ALA   2  12.412   2.846  -9.637
  136    HB1  ALA   2           HB1      ALA   2  13.291   4.683 -11.106
  137    HB2  ALA   2           HB2      ALA   2  14.785   4.680 -10.163
  138    HB3  ALA   2           HB3      ALA   2  14.330   3.239 -11.096
  139    H    GLU   3           H        GLU   3  14.952   4.457  -7.654
  140    HA   GLU   3           HA       GLU   3  16.631   2.206  -7.301
  141    HB2  GLU   3           HB2      GLU   3  17.562   3.467  -5.422
  142    HB3  GLU   3           HB1      GLU   3  17.309   4.519  -6.822
  143    HG2  GLU   3           HG2      GLU   3  15.207   5.344  -5.828
  144    HG3  GLU   3           HG1      GLU   3  15.409   4.287  -4.447
  145    H    PHE   4           H        PHE   4  13.519   2.843  -5.898
  146    HA   PHE   4           HA       PHE   4  13.897   0.760  -3.810
  147    HB2  PHE   4           HB2      PHE   4  11.599   2.684  -4.222
  148    HB3  PHE   4           HB1      PHE   4  11.903   1.670  -2.810
  149    HD1  PHE   4           HD1      PHE   4  14.719   2.106  -2.193
  150    HD2  PHE   4           HD2      PHE   4  11.780   4.892  -3.619
  151    HE1  PHE   4           HE1      PHE   4  16.002   3.972  -1.177
  152    HE2  PHE   4           HE2      PHE   4  13.082   6.768  -2.639
  153    HZ   PHE   4           HZ       PHE   4  15.194   6.300  -1.410
  154    H    ARG   5           H        ARG   5  12.552   1.231  -6.953
  155    HA   ARG   5           HA       ARG   5  10.610  -0.932  -6.787
  156    HB2  ARG   5           HB2      ARG   5  11.800   0.557  -9.146
  157    HB3  ARG   5           HB1      ARG   5  10.541  -0.664  -9.244
  158    HG2  ARG   5           HG2      ARG   5  10.333   2.094  -8.028
  159    HG3  ARG   5           HG1      ARG   5   9.453   1.453  -9.400
  160    HD2  ARG   5           HD2      ARG   5   9.126   0.629  -6.505
  161    HD3  ARG   5           HD1      ARG   5   8.009   1.615  -7.412
  162    HE   ARG   5           HE       ARG   5   8.451  -1.303  -7.647
  163   HH11  ARG   5          2HH2      ARG   5   6.760   1.531  -8.980
  164   HH12  ARG   5          2HH1      ARG   5   5.669   0.544  -9.927
  165   HH21  ARG   5          1HH1      ARG   5   7.015  -2.510  -8.888
  166   HH22  ARG   5          1HH2      ARG   5   5.819  -1.711  -9.883
  167    H    ARG   6           H        ARG   6  12.742  -1.862  -5.613
  168    HA   ARG   6           HA       ARG   6  14.507  -3.363  -7.360
  169    HB2  ARG   6           HB2      ARG   6  14.280  -3.156  -4.344
  170    HB3  ARG   6           HB1      ARG   6  15.619  -3.890  -5.223
  171    HG2  ARG   6           HG2      ARG   6  14.811  -0.969  -5.254
  172    HG3  ARG   6           HG1      ARG   6  16.178  -1.660  -4.416
  173    HD2  ARG   6           HD2      ARG   6  17.230  -0.774  -6.213
  174    HD3  ARG   6           HD1      ARG   6  16.989  -2.414  -6.783
  175    HE   ARG   6           HE       ARG   6  15.328  -0.022  -7.505
  176   HH11  ARG   6          1HH2      ARG   6  16.678  -3.172  -8.535
  177   HH12  ARG   6          1HH1      ARG   6  16.233  -2.900 -10.206
  178   HH21  ARG   6          2HH1      ARG   6  14.796   0.232  -9.668
  179   HH22  ARG   6          2HH2      ARG   6  15.159  -1.021 -10.827
  180    H    ASP   7           H        ASP   7  14.938  -5.750  -6.543
  181    HA   ASP   7           HA       ASP   7  12.585  -7.093  -7.349
  182    HB2  ASP   7           HB2      ASP   7  13.936  -9.096  -7.303
  183    HB3  ASP   7           HB1      ASP   7  14.833  -7.756  -8.004
  184    H    SER   8           H        SER   8  13.978  -6.806  -4.063
  185    HA   SER   8           HA       SER   8  11.958  -8.743  -3.073
  186    HB2  SER   8           HB2      SER   8  14.670  -7.892  -2.056
  187    HB3  SER   8           HB1      SER   8  13.546  -8.911  -1.128
  188    HG   SER   8           HG       SER   8  15.124 -10.038  -2.470
  189    H    GLY   9           H        GLY   9  10.318  -8.118  -1.823
  190    HA2  GLY   9           HA2      GLY   9  10.251  -6.794   0.513
  191    HA3  GLY   9           HA1      GLY   9  10.088  -5.487  -0.645
  192    H    TYR  10           H        TYR  10   6.657  -6.573  -1.276
  193    HA   TYR  10           HA       TYR  10   7.946  -4.394   0.012
  194    HB2  TYR  10           HB2      TYR  10   8.761  -5.038  -2.679
  195    HB3  TYR  10           HB1      TYR  10   7.706  -3.672  -2.810
  196    HD1  TYR  10           HD1      TYR  10   8.377  -2.154  -0.263
  197    HD2  TYR  10           HD2      TYR  10  10.861  -4.224  -3.106
  198    HE1  TYR  10           HE1      TYR  10  10.237  -0.665   0.301
  199    HE2  TYR  10           HE2      TYR  10  12.703  -2.654  -2.641
  200    HH   TYR  10           HH       TYR  10  12.430  -0.039  -0.239
  201    H    GLU  11           H        GLU  11   6.527  -2.779   0.274
  202    HA   GLU  11           HA       GLU  11   4.887  -2.190  -2.043
  203    HB2  GLU  11           HB2      GLU  11   3.283  -2.874  -0.225
  204    HB3  GLU  11           HB1      GLU  11   3.975  -1.600   0.778
  205    HG2  GLU  11           HG2      GLU  11   3.379  -0.039  -1.285
  206    HG3  GLU  11           HG1      GLU  11   2.291  -1.356  -1.738
  207    H    VAL  12           H        VAL  12   6.239  -0.728  -2.832
  208    HA   VAL  12           HA       VAL  12   8.344   0.459  -1.454
  209    HB   VAL  12           HB       VAL  12   7.147   0.815  -4.202
  210   HG11  VAL  12          HG11      VAL  12   9.617   2.179  -3.089
  211   HG12  VAL  12          HG12      VAL  12   9.302   1.975  -4.827
  212   HG13  VAL  12          HG13      VAL  12   8.201   2.936  -3.843
  213   HG21  VAL  12          HG21      VAL  12   9.682  -0.434  -3.082
  214   HG22  VAL  12          HG22      VAL  12   8.236  -1.326  -3.597
  215   HG23  VAL  12          HG23      VAL  12   9.192  -0.452  -4.785
  216    H    HIS  13           H        HIS  13   5.079   1.639  -1.727
  217    HA   HIS  13           HA       HIS  13   5.628   4.387  -1.465
  218    HB2  HIS  13           HB2      HIS  13   3.280   2.985  -0.140
  219    HB3  HIS  13           HB1      HIS  13   3.338   4.617  -0.794
  220    HD1  HIS  13           HD1      HIS  13   1.470   1.899  -1.597
  221    HD2  HIS  13           HD2      HIS  13   4.449   3.907  -3.766
  222    HE1  HIS  13           HE1      HIS  13   1.113   1.298  -4.041
  223    H    HIS  14           H        HIS  14   5.922   1.759   0.849
  224    HA   HIS  14           HA       HIS  14   5.956   3.587   3.161
  225    HB2  HIS  14           HB2      HIS  14   6.043   0.565   2.858
  226    HB3  HIS  14           HB1      HIS  14   6.171   1.398   4.403
  227    HD1  HIS  14           HD1      HIS  14   4.017   3.386   4.636
  228    HD2  HIS  14           HD2      HIS  14   3.622   0.099   2.083
  229    HE1  HIS  14           HE1      HIS  14   1.561   3.291   3.964
  230    H    GLN  15           H        GLN  15   8.308   2.314   0.929
  231    HA   GLN  15           HA       GLN  15  10.556   2.073   2.554
  232    HB2  GLN  15           HB2      GLN  15  10.333   1.534   0.115
  233    HB3  GLN  15           HB1      GLN  15  10.312   3.251  -0.219
  234    HG2  GLN  15           HG2      GLN  15  12.485   2.359  -0.652
  235    HG3  GLN  15           HG1      GLN  15  12.586   3.519   0.661
  236   HE21  GLN  15          HE22      GLN  15  14.725   2.432   1.049
  237   HE22  GLN  15          HE21      GLN  15  14.764   0.928   1.943
  238    H    LYS  16           H        LYS  16   8.891   4.920   1.306
  239    HA   LYS  16           HA       LYS  16  10.571   6.736   2.970
  240    HB2  LYS  16           HB2      LYS  16   9.504   7.282   0.176
  241    HB3  LYS  16           HB1      LYS  16  10.418   8.401   1.171
  242    HG2  LYS  16           HG2      LYS  16  11.473   5.783   0.014
  243    HG3  LYS  16           HG1      LYS  16  11.763   7.382  -0.631
  244    HD2  LYS  16           HD2      LYS  16  12.722   6.478   2.119
  245    HD3  LYS  16           HD1      LYS  16  13.676   6.448   0.637
  246    HE2  LYS  16           HE2      LYS  16  13.284   8.925   0.398
  247    HE3  LYS  16           HE1      LYS  16  12.518   8.903   1.998
  248    HZ1  LYS  16           HZ1      LYS  16  14.579   8.061   2.890
  249    HZ2  LYS  16           HZ2      LYS  16  15.279   8.095   1.400
  250    HZ3  LYS  16           HZ3      LYS  16  14.823   9.500   2.123
  251    HN1  NH2  17           H2       NH2  17   9.351   8.880   3.338
  252    HN2  NH2  17           H1       NH2  17   7.631   8.755   3.623
  Start of MODEL    4
    1    H1   ACE   0           H1       ACE   0 -13.094  -3.393  -6.527
    2    H2   ACE   0           H2       ACE   0 -12.802  -1.951  -7.522
    3    H3   ACE   0           H3       ACE   0 -12.092  -2.065  -5.896
    4    H    ASP   1           H        ASP   1 -14.044  -2.733  -4.198
    5    HA   ASP   1           HA       ASP   1 -16.615  -1.623  -4.567
    6    HB2  ASP   1           HB2      ASP   1 -14.963  -2.071  -2.067
    7    HB3  ASP   1           HB1      ASP   1 -16.651  -1.547  -2.057
    8    H    ALA   2           H        ALA   2 -17.181   0.368  -4.926
    9    HA   ALA   2           HA       ALA   2 -15.498   2.619  -4.693
   10    HB1  ALA   2           HB1      ALA   2 -17.309   2.455  -6.321
   11    HB2  ALA   2           HB2      ALA   2 -18.515   2.370  -5.019
   12    HB3  ALA   2           HB3      ALA   2 -17.579   3.860  -5.272
   13    H    GLU   3           H        GLU   3 -18.136   1.408  -2.577
   14    HA   GLU   3           HA       GLU   3 -18.326   3.626  -0.887
   15    HB2  GLU   3           HB2      GLU   3 -19.480   2.136   0.624
   16    HB3  GLU   3           HB1      GLU   3 -19.940   1.775  -1.044
   17    HG2  GLU   3           HG2      GLU   3 -18.255  -0.088  -1.059
   18    HG3  GLU   3           HG1      GLU   3 -17.960   0.243   0.662
   19    H    PHE   4           H        PHE   4 -15.784   1.176  -0.957
   20    HA   PHE   4           HA       PHE   4 -14.678   2.145   1.616
   21    HB2  PHE   4           HB2      PHE   4 -13.967  -0.143  -0.253
   22    HB3  PHE   4           HB1      PHE   4 -12.960   0.327   1.117
   23    HD1  PHE   4           HD1      PHE   4 -13.816   0.269   3.423
   24    HD2  PHE   4           HD2      PHE   4 -16.095  -1.245   0.132
   25    HE1  PHE   4           HE1      PHE   4 -15.331  -0.906   5.023
   26    HE2  PHE   4           HE2      PHE   4 -17.611  -2.439   1.704
   27    HZ   PHE   4           HZ       PHE   4 -17.206  -2.288   4.162
   28    H    ARG   5           H        ARG   5 -14.191   2.758  -1.814
   29    HA   ARG   5           HA       ARG   5 -11.412   3.278  -1.595
   30    HB2  ARG   5           HB2      ARG   5 -13.249   2.847  -3.652
   31    HB3  ARG   5           HB1      ARG   5 -12.866   4.541  -3.848
   32    HG2  ARG   5           HG2      ARG   5 -11.382   3.091  -5.179
   33    HG3  ARG   5           HG1      ARG   5 -10.486   4.041  -3.993
   34    HD2  ARG   5           HD2      ARG   5  -9.837   1.555  -4.338
   35    HD3  ARG   5           HD1      ARG   5  -9.943   2.170  -2.687
   36    HE   ARG   5           HE       ARG   5 -12.433   1.251  -3.022
   37   HH11  ARG   5          1HH1      ARG   5  -9.325  -0.424  -3.578
   38   HH12  ARG   5          1HH2      ARG   5 -10.011  -1.987  -3.200
   39   HH21  ARG   5          2HH2      ARG   5 -13.237  -0.779  -2.601
   40   HH22  ARG   5          2HH1      ARG   5 -12.201  -2.184  -2.652
   41    H    ARG   6           H        ARG   6 -13.206   4.824   0.251
   42    HA   ARG   6           HA       ARG   6 -13.656   7.438  -0.618
   43    HB2  ARG   6           HB2      ARG   6 -13.534   6.175   2.143
   44    HB3  ARG   6           HB1      ARG   6 -14.233   7.766   1.805
   45    HG2  ARG   6           HG2      ARG   6 -15.191   5.085   0.790
   46    HG3  ARG   6           HG1      ARG   6 -15.956   6.083   2.026
   47    HD2  ARG   6           HD2      ARG   6 -17.291   6.653   0.271
   48    HD3  ARG   6           HD1      ARG   6 -16.054   7.885   0.049
   49    HE   ARG   6           HE       ARG   6 -16.187   5.254  -1.395
   50   HH11  ARG   6          2HH1      ARG   6 -15.481   8.751  -1.618
   51   HH12  ARG   6          2HH2      ARG   6 -15.101   8.641  -3.320
   52   HH21  ARG   6          1HH2      ARG   6 -15.692   5.228  -3.601
   53   HH22  ARG   6          1HH1      ARG   6 -15.238   6.702  -4.421
   54    H    ASP   7           H        ASP   7 -12.978   9.425   0.366
   55    HA   ASP   7           HA       ASP   7 -10.191   9.963   0.728
   56    HB2  ASP   7           HB2      ASP   7 -12.762  11.414   1.492
   57    HB3  ASP   7           HB1      ASP   7 -11.157  12.096   1.772
   58    H    SER   8           H        SER   8 -12.523   8.515   2.791
   59    HA   SER   8           HA       SER   8 -11.751   9.232   5.358
   60    HB2  SER   8           HB2      SER   8 -12.835   6.575   4.377
   61    HB3  SER   8           HB1      SER   8 -13.005   7.272   6.003
   62    HG   SER   8           HG       SER   8 -14.843   7.639   4.698
   63    H    GLY   9           H        GLY   9  -9.681   7.660   3.165
   64    HA2  GLY   9           HA2      GLY   9  -7.836   7.052   5.331
   65    HA3  GLY   9           HA1      GLY   9  -8.262   5.699   4.293
   66    H    TYR  10           H        TYR  10  -6.211   7.021   1.597
   67    HA   TYR  10           HA       TYR  10  -6.744   4.720   3.241
   68    HB2  TYR  10           HB2      TYR  10  -8.730   5.760   1.421
   69    HB3  TYR  10           HB1      TYR  10  -8.070   4.340   0.677
   70    HD1  TYR  10           HD1      TYR  10  -7.530   2.561   3.064
   71    HD2  TYR  10           HD2      TYR  10 -10.829   5.182   2.166
   72    HE1  TYR  10           HE1      TYR  10  -9.005   1.156   4.415
   73    HE2  TYR  10           HE2      TYR  10 -12.305   3.814   3.559
   74    HH   TYR  10           HH       TYR  10 -11.175   0.839   5.210
   75    H    GLU  11           H        GLU  11  -5.697   2.997   2.655
   76    HA   GLU  11           HA       GLU  11  -5.180   2.567  -0.172
   77    HB2  GLU  11           HB2      GLU  11  -2.979   3.195   0.936
   78    HB3  GLU  11           HB1      GLU  11  -3.198   1.807   2.005
   79    HG2  GLU  11           HG2      GLU  11  -3.473   0.474  -0.286
   80    HG3  GLU  11           HG1      GLU  11  -2.677   1.894  -0.979
   81    H    VAL  12           H        VAL  12  -7.139   1.473  -0.029
   82    HA   VAL  12           HA       VAL  12  -8.253   0.195   2.094
   83    HB   VAL  12           HB       VAL  12  -8.725  -0.131  -0.879
   84   HG11  VAL  12          HG11      VAL  12 -10.366  -1.330   1.401
   85   HG12  VAL  12          HG12      VAL  12 -10.973  -1.116  -0.250
   86   HG13  VAL  12          HG13      VAL  12  -9.615  -2.201   0.040
   87   HG21  VAL  12          HG21      VAL  12  -9.260   2.067   0.223
   88   HG22  VAL  12          HG22      VAL  12 -10.692   1.240  -0.401
   89   HG23  VAL  12          HG23      VAL  12 -10.335   1.206   1.340
   90    H    HIS  13           H        HIS  13  -5.856  -1.200  -0.084
   91    HA   HIS  13           HA       HIS  13  -6.556  -3.861   0.337
   92    HB2  HIS  13           HB2      HIS  13  -3.726  -2.910  -0.210
   93    HB3  HIS  13           HB1      HIS  13  -4.470  -4.428  -0.709
   94    HD1  HIS  13           HD1      HIS  13  -3.211  -1.920  -2.551
   95    HD2  HIS  13           HD2      HIS  13  -7.196  -3.094  -1.979
   96    HE1  HIS  13           HE1      HIS  13  -4.533  -1.005  -4.523
   97    H    HIS  14           H        HIS  14  -5.100  -1.727   2.633
   98    HA   HIS  14           HA       HIS  14  -3.883  -3.968   4.157
   99    HB2  HIS  14           HB2      HIS  14  -3.954  -0.960   4.569
  100    HB3  HIS  14           HB1      HIS  14  -3.278  -2.100   5.742
  101    HD1  HIS  14           HD1      HIS  14  -1.560  -4.012   4.210
  102    HD2  HIS  14           HD2      HIS  14  -2.043  -0.004   3.107
  103    HE1  HIS  14           HE1      HIS  14   0.434  -3.434   2.738
  104    H    GLN  15           H        GLN  15  -6.999  -2.774   3.798
  105    HA   GLN  15           HA       GLN  15  -7.708  -3.456   6.596
  106    HB2  GLN  15           HB2      GLN  15  -8.714  -1.265   4.754
  107    HB3  GLN  15           HB1      GLN  15  -9.604  -1.840   6.170
  108    HG2  GLN  15           HG2      GLN  15  -7.624  -1.351   7.615
  109    HG3  GLN  15           HG1      GLN  15  -6.747  -0.743   6.208
  110   HE21  GLN  15          HE21      GLN  15 -10.215  -0.178   7.053
  111   HE22  GLN  15          HE22      GLN  15 -10.020   1.550   7.248
  112    H    LYS  16           H        LYS  16  -8.497  -3.696   3.167
  113    HA   LYS  16           HA       LYS  16 -10.120  -6.110   3.753
  114    HB2  LYS  16           HB2      LYS  16 -10.739  -3.998   1.640
  115    HB3  LYS  16           HB1      LYS  16 -11.553  -5.552   1.846
  116    HG2  LYS  16           HG2      LYS  16 -12.165  -4.797   4.224
  117    HG3  LYS  16           HG1      LYS  16 -11.549  -3.195   3.785
  118    HD2  LYS  16           HD2      LYS  16 -13.914  -3.170   3.488
  119    HD3  LYS  16           HD1      LYS  16 -13.186  -3.150   1.875
  120    HE2  LYS  16           HE2      LYS  16 -13.569  -5.625   1.720
  121    HE3  LYS  16           HE1      LYS  16 -14.286  -5.596   3.344
  122    HZ1  LYS  16           HZ1      LYS  16 -15.937  -5.526   1.638
  123    HZ2  LYS  16           HZ2      LYS  16 -15.966  -4.126   2.497
  124    HZ3  LYS  16           HZ3      LYS  16 -15.291  -4.161   0.992
  125    HN1  NH2  17           H2       NH2  17  -8.713  -7.641   0.808
  126    HN2  NH2  17           H1       NH2  17 -10.182  -7.552   1.755
  127    H1   ACE   0           H1       ACE   0   8.737   6.844  -4.639
  128    H2   ACE   0           H2       ACE   0   8.296   5.203  -5.163
  129    H3   ACE   0           H3       ACE   0   9.706   5.445  -4.113
  130    H    ASP   1           H        ASP   1  11.644   6.259  -5.011
  131    HA   ASP   1           HA       ASP   1  11.919   6.945  -7.821
  132    HB2  ASP   1           HB2      ASP   1  13.190   7.940  -5.834
  133    HB3  ASP   1           HB1      ASP   1  14.059   6.411  -5.724
  134    H    ALA   2           H        ALA   2  13.580   5.783  -9.201
  135    HA   ALA   2           HA       ALA   2  12.696   3.183  -9.641
  136    HB1  ALA   2           HB1      ALA   2  15.303   4.419 -10.599
  137    HB2  ALA   2           HB2      ALA   2  14.466   3.038 -11.314
  138    HB3  ALA   2           HB3      ALA   2  13.715   4.647 -11.362
  139    H    GLU   3           H        GLU   3  15.767   4.169  -8.029
  140    HA   GLU   3           HA       GLU   3  16.730   1.515  -7.699
  141    HB2  GLU   3           HB2      GLU   3  18.309   2.509  -6.116
  142    HB3  GLU   3           HB1      GLU   3  18.196   3.455  -7.606
  143    HG2  GLU   3           HG2      GLU   3  16.758   5.087  -6.528
  144    HG3  GLU   3           HG1      GLU   3  16.642   4.108  -5.066
  145    H    PHE   4           H        PHE   4  14.105   2.986  -6.089
  146    HA   PHE   4           HA       PHE   4  14.243   1.011  -3.872
  147    HB2  PHE   4           HB2      PHE   4  12.557   3.508  -4.282
  148    HB3  PHE   4           HB1      PHE   4  12.258   2.324  -3.010
  149    HD1  PHE   4           HD1      PHE   4  13.986   1.796  -1.325
  150    HD2  PHE   4           HD2      PHE   4  14.520   4.960  -4.163
  151    HE1  PHE   4           HE1      PHE   4  15.857   2.691   0.040
  152    HE2  PHE   4           HE2      PHE   4  16.406   5.862  -2.826
  153    HZ   PHE   4           HZ       PHE   4  17.081   4.724  -0.717
  154    H    ARG   5           H        ARG   5  12.463   1.752  -6.830
  155    HA   ARG   5           HA       ARG   5  10.327  -0.154  -6.380
  156    HB2  ARG   5           HB2      ARG   5  11.383   1.212  -8.881
  157    HB3  ARG   5           HB1      ARG   5   9.958   0.182  -8.847
  158    HG2  ARG   5           HG2      ARG   5  10.282   2.895  -7.562
  159    HG3  ARG   5           HG1      ARG   5   9.188   2.418  -8.848
  160    HD2  ARG   5           HD2      ARG   5   9.037   1.659  -5.918
  161    HD3  ARG   5           HD1      ARG   5   7.957   2.721  -6.800
  162    HE   ARG   5           HE       ARG   5   8.216  -0.143  -7.585
  163   HH11  ARG   5          2HH1      ARG   5   6.104   2.452  -6.381
  164   HH12  ARG   5          2HH2      ARG   5   4.681   1.434  -6.432
  165   HH21  ARG   5          1HH1      ARG   5   6.336  -1.395  -7.634
  166   HH22  ARG   5          1HH2      ARG   5   4.810  -0.703  -7.127
  167    H    ARG   6           H        ARG   6  12.605  -1.389  -5.622
  168    HA   ARG   6           HA       ARG   6  13.563  -3.269  -7.623
  169    HB2  ARG   6           HB2      ARG   6  14.079  -2.917  -4.643
  170    HB3  ARG   6           HB1      ARG   6  14.955  -4.020  -5.702
  171    HG2  ARG   6           HG2      ARG   6  14.937  -0.993  -5.860
  172    HG3  ARG   6           HG1      ARG   6  16.237  -2.004  -5.236
  173    HD2  ARG   6           HD2      ARG   6  17.099  -1.682  -7.294
  174    HD3  ARG   6           HD1      ARG   6  16.097  -3.074  -7.698
  175    HE   ARG   6           HE       ARG   6  15.235  -0.216  -8.059
  176   HH11  ARG   6          1HH2      ARG   6  15.539  -3.481  -9.508
  177   HH12  ARG   6          1HH1      ARG   6  14.781  -2.958 -10.993
  178   HH21  ARG   6          2HH1      ARG   6  14.295   0.346 -10.007
  179   HH22  ARG   6          2HH2      ARG   6  14.143  -0.825 -11.292
  180    H    ASP   7           H        ASP   7  13.524  -5.584  -7.092
  181    HA   ASP   7           HA       ASP   7  10.944  -6.574  -6.308
  182    HB2  ASP   7           HB2      ASP   7  12.419  -7.556  -8.057
  183    HB3  ASP   7           HB1      ASP   7  13.597  -7.995  -6.809
  184    H    SER   8           H        SER   8  14.044  -6.144  -4.577
  185    HA   SER   8           HA       SER   8  13.446  -7.925  -2.446
  186    HB2  SER   8           HB2      SER   8  15.432  -5.657  -2.716
  187    HB3  SER   8           HB1      SER   8  15.311  -6.697  -1.281
  188    HG   SER   8           HG       SER   8  16.295  -8.199  -2.292
  189    H    GLY   9           H        GLY   9  11.363  -7.490  -1.656
  190    HA2  GLY   9           HA2      GLY   9  10.906  -6.319   0.673
  191    HA3  GLY   9           HA1      GLY   9  10.716  -4.938  -0.401
  192    H    TYR  10           H        TYR  10   7.580  -6.286  -1.638
  193    HA   TYR  10           HA       TYR  10   8.525  -4.134  -0.035
  194    HB2  TYR  10           HB2      TYR  10   9.788  -4.437  -2.571
  195    HB3  TYR  10           HB1      TYR  10   8.556  -3.245  -2.844
  196    HD1  TYR  10           HD2      TYR  10   8.656  -1.897  -0.010
  197    HD2  TYR  10           HD1      TYR  10  11.690  -3.106  -2.823
  198    HE1  TYR  10           HE2      TYR  10  10.190  -0.270   0.974
  199    HE2  TYR  10           HE1      TYR  10  13.244  -1.465  -1.838
  200    HH   TYR  10           HH       TYR  10  13.562   0.111  -0.155
  201    H    GLU  11           H        GLU  11   6.951  -2.619   0.184
  202    HA   GLU  11           HA       GLU  11   5.332  -2.095  -2.189
  203    HB2  GLU  11           HB2      GLU  11   3.854  -3.186  -0.395
  204    HB3  GLU  11           HB1      GLU  11   4.214  -1.787   0.619
  205    HG2  GLU  11           HG2      GLU  11   3.458  -0.438  -1.572
  206    HG3  GLU  11           HG1      GLU  11   2.633  -1.952  -1.957
  207    H    VAL  12           H        VAL  12   6.877  -0.561  -2.706
  208    HA   VAL  12           HA       VAL  12   8.465   0.915  -1.021
  209    HB   VAL  12           HB       VAL  12   7.604   1.364  -3.892
  210   HG11  VAL  12          HG11      VAL  12   9.692   2.786  -4.107
  211   HG12  VAL  12          HG12      VAL  12   8.402   3.555  -3.184
  212   HG13  VAL  12          HG13      VAL  12   9.789   2.829  -2.338
  213   HG21  VAL  12          HG21      VAL  12  10.195   0.379  -2.633
  214   HG22  VAL  12          HG22      VAL  12   8.928  -0.699  -3.251
  215   HG23  VAL  12          HG23      VAL  12   9.750   0.383  -4.359
  216    H    HIS  13           H        HIS  13   5.168   1.585  -1.841
  217    HA   HIS  13           HA       HIS  13   5.000   4.303  -1.416
  218    HB2  HIS  13           HB2      HIS  13   3.218   2.922  -2.315
  219    HB3  HIS  13           HB1      HIS  13   3.185   1.954  -0.849
  220    HD1  HIS  13           HD1      HIS  13   0.969   2.395   0.304
  221    HD2  HIS  13           HD2      HIS  13   2.678   5.815  -1.429
  222    HE1  HIS  13           HE1      HIS  13  -0.632   4.314   0.778
  223    H    HIS  14           H        HIS  14   5.725   1.871   1.032
  224    HA   HIS  14           HA       HIS  14   5.241   3.921   3.160
  225    HB2  HIS  14           HB2      HIS  14   5.549   0.920   3.441
  226    HB3  HIS  14           HB1      HIS  14   5.189   2.058   4.731
  227    HD1  HIS  14           HD1      HIS  14   2.755   3.476   4.279
  228    HD2  HIS  14           HD2      HIS  14   3.506  -0.094   2.213
  229    HE1  HIS  14           HE1      HIS  14   0.519   2.708   3.320
  230    H    GLN  15           H        GLN  15   7.802   3.149   1.231
  231    HA   GLN  15           HA       GLN  15   9.687   2.076   2.935
  232    HB2  GLN  15           HB2      GLN  15  11.210   2.343   1.325
  233    HB3  GLN  15           HB1      GLN  15   9.734   2.344   0.384
  234    HG2  GLN  15           HG2      GLN  15  11.489   4.732   1.099
  235    HG3  GLN  15           HG1      GLN  15  11.457   3.876  -0.435
  236   HE21  GLN  15          HE22      GLN  15  10.937   5.658  -1.733
  237   HE22  GLN  15          HE21      GLN  15   9.403   6.494  -1.603
  238    H    LYS  16           H        LYS  16   8.973   5.487   2.411
  239    HA   LYS  16           HA       LYS  16  11.011   6.690   3.983
  240    HB2  LYS  16           HB2      LYS  16   8.216   7.512   3.114
  241    HB3  LYS  16           HB1      LYS  16   9.234   8.575   4.080
  242    HG2  LYS  16           HG2      LYS  16  10.935   8.683   2.367
  243    HG3  LYS  16           HG1      LYS  16  10.114   7.456   1.395
  244    HD2  LYS  16           HD2      LYS  16   8.102   8.983   1.270
  245    HD3  LYS  16           HD1      LYS  16   9.062  10.245   2.050
  246    HE2  LYS  16           HE2      LYS  16   9.825   8.854  -0.553
  247    HE3  LYS  16           HE1      LYS  16   8.933  10.383  -0.461
  248    HZ1  LYS  16           HZ1      LYS  16  11.195  10.825  -0.771
  249    HZ2  LYS  16           HZ2      LYS  16  10.790  11.299   0.748
  250    HZ3  LYS  16           HZ3      LYS  16  11.642   9.908   0.522
  251    HN1  NH2  17           H2       NH2  17   8.068   4.994   5.032
  252    HN2  NH2  17           H1       NH2  17   8.179   5.478   6.711
  Start of MODEL    5
    1    H1   ACE   0           H1       ACE   0 -11.160  -3.768  -0.132
    2    H2   ACE   0           H2       ACE   0 -11.500  -5.488  -0.399
    3    H3   ACE   0           H3       ACE   0 -11.027  -4.452  -1.764
    4    H    ASP   1           H        ASP   1 -13.488  -4.400   0.894
    5    HA   ASP   1           HA       ASP   1 -15.676  -4.380  -1.001
    6    HB2  ASP   1           HB2      ASP   1 -15.735  -3.999   2.014
    7    HB3  ASP   1           HB1      ASP   1 -17.102  -4.359   0.968
    8    H    ALA   2           H        ALA   2 -17.264  -2.766  -1.208
    9    HA   ALA   2           HA       ALA   2 -16.339  -0.213  -1.779
   10    HB1  ALA   2           HB1      ALA   2 -18.348  -1.228  -2.774
   11    HB2  ALA   2           HB2      ALA   2 -19.186  -1.131  -1.210
   12    HB3  ALA   2           HB3      ALA   2 -18.725   0.355  -2.058
   13    H    GLU   3           H        GLU   3 -18.010  -1.335   1.164
   14    HA   GLU   3           HA       GLU   3 -18.449   1.125   2.420
   15    HB2  GLU   3           HB2      GLU   3 -18.553  -0.180   4.478
   16    HB3  GLU   3           HB1      GLU   3 -19.421  -0.987   3.168
   17    HG2  GLU   3           HG2      GLU   3 -17.369  -2.409   2.762
   18    HG3  GLU   3           HG1      GLU   3 -16.646  -1.652   4.196
   19    H    PHE   4           H        PHE   4 -15.367  -0.484   1.935
   20    HA   PHE   4           HA       PHE   4 -14.041   1.303   3.902
   21    HB2  PHE   4           HB2      PHE   4 -12.913  -1.033   2.320
   22    HB3  PHE   4           HB1      PHE   4 -12.096  -0.144   3.608
   23    HD1  PHE   4           HD2      PHE   4 -13.466   0.028   5.875
   24    HD2  PHE   4           HD1      PHE   4 -14.029  -2.979   2.879
   25    HE1  PHE   4           HE2      PHE   4 -14.607  -1.408   7.550
   26    HE2  PHE   4           HE1      PHE   4 -15.238  -4.409   4.528
   27    HZ   PHE   4           HZ       PHE   4 -15.539  -3.619   6.860
   28    H    ARG   5           H        ARG   5 -14.652   1.107   0.505
   29    HA   ARG   5           HA       ARG   5 -12.292   2.552  -0.350
   30    HB2  ARG   5           HB2      ARG   5 -14.963   2.136  -1.735
   31    HB3  ARG   5           HB1      ARG   5 -13.476   2.708  -2.487
   32    HG2  ARG   5           HG2      ARG   5 -14.107  -0.067  -1.471
   33    HG3  ARG   5           HG1      ARG   5 -13.751   0.436  -3.104
   34    HD2  ARG   5           HD2      ARG   5 -11.820   0.221  -0.779
   35    HD3  ARG   5           HD1      ARG   5 -11.861  -0.793  -2.207
   36    HE   ARG   5           HE       ARG   5 -10.612   1.804  -1.931
   37   HH11  ARG   5          1HH1      ARG   5 -12.108  -0.345  -4.346
   38   HH12  ARG   5          1HH2      ARG   5 -11.302   0.448  -5.680
   39   HH21  ARG   5          2HH2      ARG   5  -9.609   2.776  -3.711
   40   HH22  ARG   5          2HH1      ARG   5  -9.913   2.180  -5.325
   41    H    ARG   6           H        ARG   6 -13.294   3.836   1.878
   42    HA   ARG   6           HA       ARG   6 -15.008   6.049   1.169
   43    HB2  ARG   6           HB2      ARG   6 -13.605   5.322   3.756
   44    HB3  ARG   6           HB1      ARG   6 -14.879   6.529   3.584
   45    HG2  ARG   6           HG2      ARG   6 -15.118   3.540   3.177
   46    HG3  ARG   6           HG1      ARG   6 -15.710   4.462   4.548
   47    HD2  ARG   6           HD2      ARG   6 -17.662   4.187   3.437
   48    HD3  ARG   6           HD1      ARG   6 -17.176   5.721   2.751
   49    HE   ARG   6           HE       ARG   6 -16.884   3.021   1.487
   50   HH11  ARG   6          2HH1      ARG   6 -17.205   6.539   0.944
   51   HH12  ARG   6          2HH2      ARG   6 -17.585   6.316  -0.749
   52   HH21  ARG   6          1HH2      ARG   6 -17.428   2.849  -0.689
   53   HH22  ARG   6          1HH1      ARG   6 -17.677   4.280  -1.657
   54    H    ASP   7           H        ASP   7 -14.484   8.264   1.463
   55    HA   ASP   7           HA       ASP   7 -11.878   9.094   0.714
   56    HB2  ASP   7           HB2      ASP   7 -12.652  11.286   0.921
   57    HB3  ASP   7           HB1      ASP   7 -13.965  10.313   0.255
   58    H    SER   8           H        SER   8 -13.070   8.155   3.719
   59    HA   SER   8           HA       SER   8 -11.616   9.469   5.658
   60    HB2  SER   8           HB2      SER   8 -12.135   6.481   5.463
   61    HB3  SER   8           HB1      SER   8 -11.919   7.424   6.953
   62    HG   SER   8           HG       SER   8 -14.120   6.927   6.318
   63    H    GLY   9           H        GLY   9 -10.122   7.537   3.092
   64    HA2  GLY   9           HA2      GLY   9  -7.548   7.645   4.496
   65    HA3  GLY   9           HA1      GLY   9  -8.180   6.064   4.065
   66    H    TYR  10           H        TYR  10  -7.053   6.580   0.674
   67    HA   TYR  10           HA       TYR  10  -6.781   4.909   3.024
   68    HB2  TYR  10           HB2      TYR  10  -9.270   5.191   1.633
   69    HB3  TYR  10           HB1      TYR  10  -8.575   3.727   1.023
   70    HD1  TYR  10           HD1      TYR  10  -7.242   2.472   3.326
   71    HD2  TYR  10           HD2      TYR  10 -10.908   4.727   3.179
   72    HE1  TYR  10           HE1      TYR  10  -8.064   1.211   5.225
   73    HE2  TYR  10           HE2      TYR  10 -11.754   3.454   5.112
   74    HH   TYR  10           HH       TYR  10 -11.306   1.707   6.609
   75    H    GLU  11           H        GLU  11  -5.751   2.989   2.606
   76    HA   GLU  11           HA       GLU  11  -5.381   2.124  -0.172
   77    HB2  GLU  11           HB2      GLU  11  -3.284   3.246   0.718
   78    HB3  GLU  11           HB1      GLU  11  -3.218   1.974   1.941
   79    HG2  GLU  11           HG2      GLU  11  -3.412   0.376  -0.190
   80    HG3  GLU  11           HG1      GLU  11  -2.884   1.813  -1.077
   81    H    VAL  12           H        VAL  12  -7.343   1.056   0.574
   82    HA   VAL  12           HA       VAL  12  -7.951  -0.196   2.885
   83    HB   VAL  12           HB       VAL  12  -8.938  -0.537   0.048
   84   HG11  VAL  12          HG11      VAL  12  -9.623  -2.618   1.105
   85   HG12  VAL  12          HG12      VAL  12 -10.200  -1.747   2.547
   86   HG13  VAL  12          HG13      VAL  12 -11.017  -1.553   0.976
   87   HG21  VAL  12          HG21      VAL  12 -10.063   0.796   2.535
   88   HG22  VAL  12          HG22      VAL  12  -9.265   1.623   1.173
   89   HG23  VAL  12          HG23      VAL  12 -10.791   0.796   0.914
   90    H    HIS  13           H        HIS  13  -5.974  -1.694   0.360
   91    HA   HIS  13           HA       HIS  13  -6.629  -4.356   1.174
   92    HB2  HIS  13           HB2      HIS  13  -5.960  -3.729  -1.115
   93    HB3  HIS  13           HB1      HIS  13  -4.371  -3.283  -0.537
   94    HD1  HIS  13           HD1      HIS  13  -2.799  -5.447   0.263
   95    HD2  HIS  13           HD2      HIS  13  -6.312  -6.189  -1.899
   96    HE1  HIS  13           HE1      HIS  13  -2.545  -7.772  -0.755
   97    H    HIS  14           H        HIS  14  -4.757  -2.061   2.833
   98    HA   HIS  14           HA       HIS  14  -3.278  -4.202   4.265
   99    HB2  HIS  14           HB2      HIS  14  -3.432  -1.215   4.726
  100    HB3  HIS  14           HB1      HIS  14  -2.489  -2.343   5.686
  101    HD1  HIS  14           HD1      HIS  14  -0.673  -3.875   3.994
  102    HD2  HIS  14           HD2      HIS  14  -1.900   0.029   3.069
  103    HE1  HIS  14           HE1      HIS  14   1.126  -2.869   2.478
  104    H    GLN  15           H        GLN  15  -6.462  -3.213   4.245
  105    HA   GLN  15           HA       GLN  15  -6.845  -3.511   7.163
  106    HB2  GLN  15           HB2      GLN  15  -7.965  -1.438   5.223
  107    HB3  GLN  15           HB1      GLN  15  -8.669  -1.735   6.796
  108    HG2  GLN  15           HG2      GLN  15  -5.806  -0.801   6.317
  109    HG3  GLN  15           HG1      GLN  15  -7.147   0.201   6.875
  110   HE21  GLN  15          HE21      GLN  15  -4.684  -0.145   8.355
  111   HE22  GLN  15          HE22      GLN  15  -5.116  -0.932   9.857
  112    H    LYS  16           H        LYS  16  -9.109  -3.931   7.743
  113    HA   LYS  16           HA       LYS  16  -9.982  -6.290   6.282
  114    HB2  LYS  16           HB2      LYS  16 -10.950  -4.906   8.822
  115    HB3  LYS  16           HB1      LYS  16 -11.600  -6.427   8.213
  116    HG2  LYS  16           HG2      LYS  16  -9.412  -7.494   8.350
  117    HG3  LYS  16           HG1      LYS  16  -8.660  -5.976   8.885
  118    HD2  LYS  16           HD2      LYS  16 -10.077  -5.978  10.908
  119    HD3  LYS  16           HD1      LYS  16 -10.786  -7.538  10.402
  120    HE2  LYS  16           HE2      LYS  16  -8.532  -8.551  10.393
  121    HE3  LYS  16           HE1      LYS  16  -7.815  -6.989  10.841
  122    HZ1  LYS  16           HZ1      LYS  16  -9.715  -8.516  12.462
  123    HZ2  LYS  16           HZ2      LYS  16  -8.097  -8.402  12.728
  124    HZ3  LYS  16           HZ3      LYS  16  -9.056  -7.072  12.876
  125    HN1  NH2  17           H2       NH2  17 -12.617  -3.161   5.695
  126    HN2  NH2  17           H1       NH2  17 -11.241  -2.953   6.758
  127    H1   ACE   0           H1       ACE   0  11.441   4.314   2.634
  128    H2   ACE   0           H2       ACE   0  10.775   5.551   3.724
  129    H3   ACE   0           H3       ACE   0  12.038   5.993   2.577
  130    H    ASP   1           H        ASP   1  11.328   4.336   5.630
  131    HA   ASP   1           HA       ASP   1  14.007   4.892   6.575
  132    HB2  ASP   1           HB2      ASP   1  11.809   5.147   7.864
  133    HB3  ASP   1           HB1      ASP   1  11.822   3.379   8.038
  134    H    ALA   2           H        ALA   2  15.421   3.351   7.556
  135    HA   ALA   2           HA       ALA   2  16.411   1.613   5.778
  136    HB1  ALA   2           HB1      ALA   2  17.790   0.705   7.638
  137    HB2  ALA   2           HB2      ALA   2  17.679   2.477   7.619
  138    HB3  ALA   2           HB3      ALA   2  16.730   1.544   8.791
  139    H    GLU   3           H        GLU   3  14.191   0.538   8.401
  140    HA   GLU   3           HA       GLU   3  14.619  -2.225   8.089
  141    HB2  GLU   3           HB2      GLU   3  12.513  -2.452   9.348
  142    HB3  GLU   3           HB1      GLU   3  13.597  -1.258  10.066
  143    HG2  GLU   3           HG2      GLU   3  12.304   0.571   8.956
  144    HG3  GLU   3           HG1      GLU   3  11.192  -0.635   8.279
  145    H    PHE   4           H        PHE   4  12.514  -0.110   6.173
  146    HA   PHE   4           HA       PHE   4  11.620  -2.523   4.664
  147    HB2  PHE   4           HB2      PHE   4   9.603  -1.517   4.195
  148    HB3  PHE   4           HB1      PHE   4   9.855  -1.289   5.920
  149    HD1  PHE   4           HD1      PHE   4   9.696   0.338   2.623
  150    HD2  PHE   4           HD2      PHE   4  10.227   0.954   6.844
  151    HE1  PHE   4           HE1      PHE   4   9.131   2.748   2.337
  152    HE2  PHE   4           HE2      PHE   4   9.645   3.365   6.561
  153    HZ   PHE   4           HZ       PHE   4   9.045   4.235   4.322
  154    H    ARG   5           H        ARG   5  13.509   0.332   4.568
  155    HA   ARG   5           HA       ARG   5  13.594   0.542   1.678
  156    HB2  ARG   5           HB2      ARG   5  13.883   2.437   3.215
  157    HB3  ARG   5           HB1      ARG   5  15.327   1.686   3.894
  158    HG2  ARG   5           HG2      ARG   5  15.837   3.450   2.283
  159    HG3  ARG   5           HG1      ARG   5  16.483   1.885   1.776
  160    HD2  ARG   5           HD2      ARG   5  13.761   2.687   0.790
  161    HD3  ARG   5           HD1      ARG   5  15.146   3.574   0.140
  162    HE   ARG   5           HE       ARG   5  15.662   0.794  -0.016
  163   HH11  ARG   5          2HH1      ARG   5  13.674   3.304  -1.539
  164   HH12  ARG   5          2HH2      ARG   5  13.624   2.480  -3.075
  165   HH21  ARG   5          1HH1      ARG   5  15.624  -0.211  -2.048
  166   HH22  ARG   5          1HH2      ARG   5  14.745   0.516  -3.375
  167    H    ARG   6           H        ARG   6  13.888  -1.670   1.263
  168    HA   ARG   6           HA       ARG   6  16.349  -3.052   2.130
  169    HB2  ARG   6           HB2      ARG   6  13.570  -3.920   1.315
  170    HB3  ARG   6           HB1      ARG   6  14.850  -5.066   1.677
  171    HG2  ARG   6           HG2      ARG   6  13.651  -3.068   3.620
  172    HG3  ARG   6           HG1      ARG   6  13.193  -4.753   3.489
  173    HD2  ARG   6           HD2      ARG   6  14.562  -4.735   5.337
  174    HD3  ARG   6           HD1      ARG   6  15.636  -5.316   4.085
  175    HE   ARG   6           HE       ARG   6  15.534  -2.548   5.215
  176   HH11  ARG   6          2HH1      ARG   6  17.534  -5.065   3.644
  177   HH12  ARG   6          2HH2      ARG   6  19.007  -4.157   3.902
  178   HH21  ARG   6          1HH1      ARG   6  17.453  -1.470   5.498
  179   HH22  ARG   6          1HH2      ARG   6  18.965  -2.158   4.957
  180    H    ASP   7           H        ASP   7  16.787  -4.965   0.497
  181    HA   ASP   7           HA       ASP   7  17.317  -3.980  -2.146
  182    HB2  ASP   7           HB2      ASP   7  18.099  -6.122  -2.646
  183    HB3  ASP   7           HB1      ASP   7  18.578  -5.811  -0.978
  184    H    SER   8           H        SER   8  14.721  -5.938  -0.705
  185    HA   SER   8           HA       SER   8  12.938  -5.625  -3.028
  186    HB2  SER   8           HB2      SER   8  14.007  -8.189  -1.786
  187    HB3  SER   8           HB1      SER   8  12.500  -8.158  -2.719
  188    HG   SER   8           HG       SER   8  13.608  -7.423  -4.481
  189    H    GLY   9           H        GLY   9  10.673  -6.672  -2.427
  190    HA2  GLY   9           HA2      GLY   9   9.955  -7.006   0.302
  191    HA3  GLY   9           HA1      GLY   9   9.745  -5.338  -0.157
  192    H    TYR  10           H        TYR  10   6.869  -6.045  -2.270
  193    HA   TYR  10           HA       TYR  10   8.091  -4.178  -0.448
  194    HB2  TYR  10           HB2      TYR  10   9.303  -4.655  -2.979
  195    HB3  TYR  10           HB1      TYR  10   8.383  -3.195  -3.188
  196    HD1  TYR  10           HD2      TYR  10   8.721  -2.039  -0.347
  197    HD2  TYR  10           HD1      TYR  10  11.452  -3.886  -3.117
  198    HE1  TYR  10           HE2      TYR  10  10.510  -0.645   0.522
  199    HE2  TYR  10           HE1      TYR  10  13.308  -2.541  -2.163
  200    HH   TYR  10           HH       TYR  10  12.672   0.030   0.250
  201    H    GLU  11           H        GLU  11   6.960  -2.398  -0.170
  202    HA   GLU  11           HA       GLU  11   5.453  -1.425  -2.467
  203    HB2  GLU  11           HB2      GLU  11   3.849  -2.369  -0.742
  204    HB3  GLU  11           HB1      GLU  11   4.417  -1.132   0.368
  205    HG2  GLU  11           HG2      GLU  11   3.839   0.567  -1.509
  206    HG3  GLU  11           HG1      GLU  11   3.008  -0.774  -2.317
  207    H    VAL  12           H        VAL  12   7.596  -0.494  -2.713
  208    HA   VAL  12           HA       VAL  12   9.333   0.714  -1.075
  209    HB   VAL  12           HB       VAL  12   8.484   1.580  -3.859
  210   HG11  VAL  12          HG11      VAL  12   9.725   3.468  -2.964
  211   HG12  VAL  12          HG12      VAL  12  10.964   2.392  -2.278
  212   HG13  VAL  12          HG13      VAL  12  10.798   2.566  -4.035
  213   HG21  VAL  12          HG21      VAL  12   9.383  -0.762  -3.590
  214   HG22  VAL  12          HG22      VAL  12  10.384   0.285  -4.605
  215   HG23  VAL  12          HG23      VAL  12  10.879  -0.057  -2.937
  216    H    HIS  13           H        HIS  13   6.370   2.327  -2.266
  217    HA   HIS  13           HA       HIS  13   7.017   4.881  -1.501
  218    HB2  HIS  13           HB2      HIS  13   4.306   3.535  -1.661
  219    HB3  HIS  13           HB1      HIS  13   4.510   5.256  -1.370
  220    HD1  HIS  13           HD1      HIS  13   2.953   4.981  -3.784
  221    HD2  HIS  13           HD2      HIS  13   7.120   4.514  -3.870
  222    HE1  HIS  13           HE1      HIS  13   3.664   5.304  -6.207
  223    H    HIS  14           H        HIS  14   5.991   2.285   0.713
  224    HA   HIS  14           HA       HIS  14   6.667   4.014   2.904
  225    HB2  HIS  14           HB2      HIS  14   4.609   4.479   3.895
  226    HB3  HIS  14           HB1      HIS  14   4.302   4.820   2.212
  227    HD1  HIS  14           HD1      HIS  14   2.945   2.871   5.021
  228    HD2  HIS  14           HD2      HIS  14   3.022   2.624   0.837
  229    HE1  HIS  14           HE1      HIS  14   1.092   1.251   4.359
  230    H    GLN  15           H        GLN  15   6.303   0.793   1.796
  231    HA   GLN  15           HA       GLN  15   6.419  -0.261   4.522
  232    HB2  GLN  15           HB2      GLN  15   4.089   0.211   4.093
  233    HB3  GLN  15           HB1      GLN  15   4.170  -0.643   2.558
  234    HG2  GLN  15           HG2      GLN  15   2.980  -1.935   4.145
  235    HG3  GLN  15           HG1      GLN  15   4.485  -2.751   3.768
  236   HE21  GLN  15          HE22      GLN  15   2.534  -1.293   6.277
  237   HE22  GLN  15          HE21      GLN  15   3.637  -1.582   7.603
  238    H    LYS  16           H        LYS  16   6.586  -2.566   4.597
  239    HA   LYS  16           HA       LYS  16   8.805  -3.500   3.099
  240    HB2  LYS  16           HB2      LYS  16   6.897  -4.858   5.052
  241    HB3  LYS  16           HB1      LYS  16   8.339  -5.636   4.387
  242    HG2  LYS  16           HG2      LYS  16   9.749  -3.801   5.296
  243    HG3  LYS  16           HG1      LYS  16   8.298  -3.089   6.035
  244    HD2  LYS  16           HD2      LYS  16   7.997  -5.204   7.356
  245    HD3  LYS  16           HD1      LYS  16   9.486  -5.829   6.627
  246    HE2  LYS  16           HE2      LYS  16  10.054  -4.953   8.791
  247    HE3  LYS  16           HE1      LYS  16  10.729  -3.857   7.571
  248    HZ1  LYS  16           HZ1      LYS  16   9.636  -2.704   9.373
  249    HZ2  LYS  16           HZ2      LYS  16   8.873  -2.409   7.946
  250    HZ3  LYS  16           HZ3      LYS  16   8.213  -3.448   9.030
  251    HN1  NH2  17           H2       NH2  17   5.376  -3.751   2.363
  252    HN2  NH2  17           H1       NH2  17   5.552  -4.980   1.130
  Start of MODEL    6
    1    H1   ACE   0           H1       ACE   0  -9.218  -3.860  -2.502
    2    H2   ACE   0           H2       ACE   0  -9.811  -4.548  -0.964
    3    H3   ACE   0           H3       ACE   0  -9.810  -5.526  -2.447
    4    H    ASP   1           H        ASP   1 -12.128  -5.477  -1.185
    5    HA   ASP   1           HA       ASP   1 -13.772  -4.874  -3.337
    6    HB2  ASP   1           HB2      ASP   1 -14.325  -5.746  -0.484
    7    HB3  ASP   1           HB1      ASP   1 -15.591  -5.645  -1.709
    8    H    ALA   2           H        ALA   2 -15.969  -3.953  -3.187
    9    HA   ALA   2           HA       ALA   2 -15.857  -1.237  -3.462
   10    HB1  ALA   2           HB1      ALA   2 -18.384  -1.417  -3.424
   11    HB2  ALA   2           HB2      ALA   2 -17.576  -2.605  -4.467
   12    HB3  ALA   2           HB3      ALA   2 -18.206  -3.087  -2.882
   13    H    GLU   3           H        GLU   3 -16.999  -3.017  -0.598
   14    HA   GLU   3           HA       GLU   3 -17.959  -0.883   0.972
   15    HB2  GLU   3           HB2      GLU   3 -17.774  -2.501   2.789
   16    HB3  GLU   3           HB1      GLU   3 -18.357  -3.298   1.323
   17    HG2  GLU   3           HG2      GLU   3 -15.785  -3.841   0.917
   18    HG3  GLU   3           HG1      GLU   3 -15.640  -3.486   2.645
   19    H    PHE   4           H        PHE   4 -14.647  -1.792   0.252
   20    HA   PHE   4           HA       PHE   4 -13.618   0.048   2.349
   21    HB2  PHE   4           HB2      PHE   4 -12.113  -1.927   0.608
   22    HB3  PHE   4           HB1      PHE   4 -11.496  -1.049   2.002
   23    HD1  PHE   4           HD2      PHE   4 -13.356  -1.383   4.151
   24    HD2  PHE   4           HD1      PHE   4 -12.420  -4.183   1.013
   25    HE1  PHE   4           HE2      PHE   4 -13.841  -3.264   5.685
   26    HE2  PHE   4           HE1      PHE   4 -13.022  -6.055   2.518
   27    HZ   PHE   4           HZ       PHE   4 -13.636  -5.603   4.874
   28    H    ARG   5           H        ARG   5 -14.150  -0.223  -1.103
   29    HA   ARG   5           HA       ARG   5 -12.259   1.842  -1.838
   30    HB2  ARG   5           HB2      ARG   5 -14.643   0.617  -3.251
   31    HB3  ARG   5           HB1      ARG   5 -13.589   1.818  -3.987
   32    HG2  ARG   5           HG2      ARG   5 -12.786  -0.949  -3.052
   33    HG3  ARG   5           HG1      ARG   5 -12.912  -0.395  -4.702
   34    HD2  ARG   5           HD2      ARG   5 -10.822   0.347  -2.634
   35    HD3  ARG   5           HD1      ARG   5 -10.612  -0.480  -4.175
   36    HE   ARG   5           HE       ARG   5 -11.535   2.355  -3.983
   37   HH11  ARG   5          1HH1      ARG   5  -9.163   0.081  -5.357
   38   HH12  ARG   5          1HH2      ARG   5  -8.568   1.265  -6.496
   39   HH21  ARG   5          2HH2      ARG   5 -10.753   3.808  -5.437
   40   HH22  ARG   5          2HH1      ARG   5  -9.459   3.379  -6.530
   41    H    ARG   6           H        ARG   6 -14.351   2.284   0.378
   42    HA   ARG   6           HA       ARG   6 -15.879   4.569  -0.236
   43    HB2  ARG   6           HB2      ARG   6 -14.375   3.939   2.325
   44    HB3  ARG   6           HB1      ARG   6 -15.783   4.992   2.161
   45    HG2  ARG   6           HG2      ARG   6 -15.693   1.995   1.738
   46    HG3  ARG   6           HG1      ARG   6 -16.339   2.813   3.150
   47    HD2  ARG   6           HD2      ARG   6 -18.283   2.338   2.007
   48    HD3  ARG   6           HD1      ARG   6 -17.936   3.977   1.421
   49    HE   ARG   6           HE       ARG   6 -17.032   1.556  -0.076
   50   HH11  ARG   6          2HH1      ARG   6 -19.178   4.421  -0.045
   51   HH12  ARG   6          2HH2      ARG   6 -19.565   4.234  -1.743
   52   HH21  ARG   6          1HH2      ARG   6 -17.575   1.412  -2.235
   53   HH22  ARG   6          1HH1      ARG   6 -18.672   2.564  -2.956
   54    H    ASP   7           H        ASP   7 -15.321   6.812   0.023
   55    HA   ASP   7           HA       ASP   7 -12.625   7.675  -0.494
   56    HB2  ASP   7           HB2      ASP   7 -14.633   8.991  -1.072
   57    HB3  ASP   7           HB1      ASP   7 -15.052   9.130   0.644
   58    H    SER   8           H        SER   8 -14.427   6.849   2.440
   59    HA   SER   8           HA       SER   8 -12.827   8.336   4.246
   60    HB2  SER   8           HB2      SER   8 -14.777   6.051   4.634
   61    HB3  SER   8           HB1      SER   8 -14.066   7.006   5.959
   62    HG   SER   8           HG       SER   8 -16.081   7.812   5.318
   63    H    GLY   9           H        GLY   9 -10.617   7.812   3.814
   64    HA2  GLY   9           HA2      GLY   9  -9.297   6.268   5.578
   65    HA3  GLY   9           HA1      GLY   9  -9.564   5.155   4.246
   66    H    TYR  10           H        TYR  10  -6.985   6.856   2.347
   67    HA   TYR  10           HA       TYR  10  -7.392   4.410   3.786
   68    HB2  TYR  10           HB2      TYR  10  -9.155   5.101   1.593
   69    HB3  TYR  10           HB1      TYR  10  -8.057   3.891   1.002
   70    HD1  TYR  10           HD1      TYR  10  -7.591   2.045   3.195
   71    HD2  TYR  10           HD2      TYR  10 -11.182   4.212   2.210
   72    HE1  TYR  10           HE1      TYR  10  -8.914   0.354   4.369
   73    HE2  TYR  10           HE2      TYR  10 -12.528   2.497   3.383
   74    HH   TYR  10           HH       TYR  10 -11.019  -0.327   4.988
   75    H    GLU  11           H        GLU  11  -5.969   2.826   3.188
   76    HA   GLU  11           HA       GLU  11  -5.130   2.883   0.446
   77    HB2  GLU  11           HB2      GLU  11  -3.095   3.662   1.734
   78    HB3  GLU  11           HB1      GLU  11  -3.108   2.117   2.577
   79    HG2  GLU  11           HG2      GLU  11  -3.181   1.142   0.093
   80    HG3  GLU  11           HG1      GLU  11  -2.563   2.740  -0.345
   81    H    VAL  12           H        VAL  12  -6.732   1.385   0.127
   82    HA   VAL  12           HA       VAL  12  -7.696  -0.525   1.875
   83    HB   VAL  12           HB       VAL  12  -7.880  -0.218  -1.132
   84   HG11  VAL  12          HG11      VAL  12  -9.964  -1.612  -0.998
   85   HG12  VAL  12          HG12      VAL  12  -8.485  -2.529  -0.732
   86   HG13  VAL  12          HG13      VAL  12  -9.503  -2.085   0.655
   87   HG21  VAL  12          HG21      VAL  12  -8.828   1.592   0.266
   88   HG22  VAL  12          HG22      VAL  12 -10.096   0.686  -0.566
   89   HG23  VAL  12          HG23      VAL  12  -9.785   0.393   1.161
   90    H    HIS  13           H        HIS  13  -4.815  -0.753  -0.017
   91    HA   HIS  13           HA       HIS  13  -4.656  -3.539  -0.340
   92    HB2  HIS  13           HB2      HIS  13  -3.177  -2.244  -1.620
   93    HB3  HIS  13           HB1      HIS  13  -2.733  -1.226  -0.266
   94    HD1  HIS  13           HD1      HIS  13  -0.466  -1.734   0.789
   95    HD2  HIS  13           HD2      HIS  13  -2.147  -4.978  -1.279
   96    HE1  HIS  13           HE1      HIS  13   1.246  -3.619   0.889
   97    H    HIS  14           H        HIS  14  -4.187  -1.546   2.583
   98    HA   HIS  14           HA       HIS  14  -3.077  -3.888   4.030
   99    HB2  HIS  14           HB2      HIS  14  -3.709  -1.082   4.981
  100    HB3  HIS  14           HB1      HIS  14  -2.961  -2.357   5.946
  101    HD1  HIS  14           HD1      HIS  14  -0.458  -3.213   5.016
  102    HD2  HIS  14           HD2      HIS  14  -2.144   0.224   3.318
  103    HE1  HIS  14           HE1      HIS  14   1.383  -2.105   3.651
  104    H    GLN  15           H        GLN  15  -6.209  -2.671   3.199
  105    HA   GLN  15           HA       GLN  15  -7.529  -3.616   5.581
  106    HB2  GLN  15           HB2      GLN  15  -8.200  -1.651   4.088
  107    HB3  GLN  15           HB1      GLN  15  -8.689  -2.838   2.908
  108    HG2  GLN  15           HG2      GLN  15 -10.594  -2.098   4.082
  109    HG3  GLN  15           HG1      GLN  15 -10.335  -3.792   4.465
  110   HE21  GLN  15          HE21      GLN  15  -9.322  -4.259   6.696
  111   HE22  GLN  15          HE22      GLN  15  -9.668  -3.123   7.982
  112    H    LYS  16           H        LYS  16  -6.785  -4.777   2.352
  113    HA   LYS  16           HA       LYS  16  -7.522  -7.500   2.932
  114    HB2  LYS  16           HB2      LYS  16  -9.740  -6.219   2.355
  115    HB3  LYS  16           HB1      LYS  16  -9.123  -6.181   0.705
  116    HG2  LYS  16           HG2      LYS  16  -8.978  -8.685   0.744
  117    HG3  LYS  16           HG1      LYS  16  -9.529  -8.669   2.428
  118    HD2  LYS  16           HD2      LYS  16 -11.663  -7.599   1.667
  119    HD3  LYS  16           HD1      LYS  16 -11.110  -7.753  -0.013
  120    HE2  LYS  16           HE2      LYS  16 -10.850 -10.203   0.312
  121    HE3  LYS  16           HE1      LYS  16 -11.389 -10.037   1.996
  122    HZ1  LYS  16           HZ1      LYS  16 -12.998  -9.414  -0.366
  123    HZ2  LYS  16           HZ2      LYS  16 -13.151 -10.756   0.578
  124    HZ3  LYS  16           HZ3      LYS  16 -13.483  -9.264   1.196
  125    HN1  NH2  17           H2       NH2  17  -5.674  -8.353  -0.034
  126    HN2  NH2  17           H1       NH2  17  -6.862  -8.934   1.109
  127    H1   ACE   0           H1       ACE   0  16.775   4.410 -12.774
  128    H2   ACE   0           H2       ACE   0  15.751   3.472 -13.888
  129    H3   ACE   0           H3       ACE   0  15.135   4.969 -13.171
  130    H    ASP   1           H        ASP   1  13.337   3.316 -12.629
  131    HA   ASP   1           HA       ASP   1  13.483   3.106  -9.797
  132    HB2  ASP   1           HB2      ASP   1  11.405   2.268 -11.839
  133    HB3  ASP   1           HB1      ASP   1  11.188   2.107 -10.083
  134    H    ALA   2           H        ALA   2  13.668   0.656 -12.328
  135    HA   ALA   2           HA       ALA   2  12.546  -1.483 -11.197
  136    HB1  ALA   2           HB1      ALA   2  15.124  -1.488 -12.819
  137    HB2  ALA   2           HB2      ALA   2  14.049  -2.882 -12.594
  138    HB3  ALA   2           HB3      ALA   2  13.470  -1.450 -13.466
  139    H    GLU   3           H        GLU   3  15.947  -0.576 -10.652
  140    HA   GLU   3           HA       GLU   3  16.783  -2.766  -9.216
  141    HB2  GLU   3           HB2      GLU   3  18.682  -1.357  -8.576
  142    HB3  GLU   3           HB1      GLU   3  18.213  -1.018 -10.247
  143    HG2  GLU   3           HG2      GLU   3  16.817   0.937  -9.305
  144    HG3  GLU   3           HG1      GLU   3  17.616   0.642  -7.751
  145    H    PHE   4           H        PHE   4  14.830  -0.154  -7.895
  146    HA   PHE   4           HA       PHE   4  15.198  -1.354  -5.190
  147    HB2  PHE   4           HB2      PHE   4  14.627   0.792  -4.275
  148    HB3  PHE   4           HB1      PHE   4  16.021   0.916  -5.329
  149    HD1  PHE   4           HD1      PHE   4  12.324   1.446  -5.214
  150    HD2  PHE   4           HD2      PHE   4  16.022   2.419  -7.138
  151    HE1  PHE   4           HE1      PHE   4  11.216   3.383  -6.328
  152    HE2  PHE   4           HE2      PHE   4  14.967   4.418  -8.184
  153    HZ   PHE   4           HZ       PHE   4  12.556   4.899  -7.781
  154    H    ARG   5           H        ARG   5  12.981  -0.691  -7.792
  155    HA   ARG   5           HA       ARG   5  10.620  -1.532  -6.256
  156    HB2  ARG   5           HB2      ARG   5  11.173  -1.073  -9.212
  157    HB3  ARG   5           HB1      ARG   5   9.633  -1.651  -8.585
  158    HG2  ARG   5           HG2      ARG   5  10.926   1.048  -8.043
  159    HG3  ARG   5           HG1      ARG   5   9.485   0.706  -8.993
  160    HD2  ARG   5           HD2      ARG   5   9.790   0.549  -5.997
  161    HD3  ARG   5           HD1      ARG   5   8.785   1.661  -6.903
  162    HE   ARG   5           HE       ARG   5   8.236  -1.137  -6.234
  163   HH11  ARG   5          2HH1      ARG   5   7.194   1.572  -8.305
  164   HH12  ARG   5          2HH2      ARG   5   5.631   0.850  -8.599
  165   HH21  ARG   5          1HH1      ARG   5   6.230  -2.013  -6.683
  166   HH22  ARG   5          1HH2      ARG   5   5.094  -1.156  -7.692
  167    H    ARG   6           H        ARG   6  12.032  -3.262  -5.374
  168    HA   ARG   6           HA       ARG   6  12.721  -5.503  -7.123
  169    HB2  ARG   6           HB2      ARG   6  13.253  -4.724  -4.232
  170    HB3  ARG   6           HB1      ARG   6  13.801  -6.263  -4.924
  171    HG2  ARG   6           HG2      ARG   6  14.603  -3.501  -5.903
  172    HG3  ARG   6           HG1      ARG   6  15.528  -4.488  -4.777
  173    HD2  ARG   6           HD2      ARG   6  16.615  -4.884  -6.774
  174    HD3  ARG   6           HD1      ARG   6  15.585  -6.295  -6.599
  175    HE   ARG   6           HE       ARG   6  14.498  -4.024  -8.145
  176   HH11  ARG   6          2HH1      ARG   6  16.207  -7.139  -8.396
  177   HH12  ARG   6          2HH2      ARG   6  15.879  -7.284 -10.106
  178   HH21  ARG   6          1HH1      ARG   6  14.079  -4.294 -10.343
  179   HH22  ARG   6          1HH2      ARG   6  14.676  -5.705 -11.189
  180    H    ASP   7           H        ASP   7  11.939  -7.594  -6.815
  181    HA   ASP   7           HA       ASP   7   9.301  -7.971  -5.779
  182    HB2  ASP   7           HB2      ASP   7   9.518 -10.135  -6.521
  183    HB3  ASP   7           HB1      ASP   7  10.595  -9.262  -7.611
  184    H    SER   8           H        SER   8  12.365  -7.910  -4.345
  185    HA   SER   8           HA       SER   8  12.322  -9.668  -2.233
  186    HB2  SER   8           HB2      SER   8  13.681  -6.948  -2.331
  187    HB3  SER   8           HB1      SER   8  14.222  -8.399  -1.462
  188    HG   SER   8           HG       SER   8  14.496  -9.405  -3.483
  189    H    GLY   9           H        GLY   9  10.014  -7.298  -2.415
  190    HA2  GLY   9           HA2      GLY   9   9.527  -7.438   0.474
  191    HA3  GLY   9           HA1      GLY   9   9.609  -5.835  -0.244
  192    H    TYR  10           H        TYR  10   6.425  -6.260  -1.925
  193    HA   TYR  10           HA       TYR  10   7.859  -4.516  -0.186
  194    HB2  TYR  10           HB2      TYR  10   9.049  -5.107  -2.712
  195    HB3  TYR  10           HB1      TYR  10   8.237  -3.594  -2.957
  196    HD1  TYR  10           HD2      TYR  10   8.598  -2.299  -0.233
  197    HD2  TYR  10           HD1      TYR  10  11.297  -4.612  -2.663
  198    HE1  TYR  10           HE2      TYR  10  10.491  -1.145   0.803
  199    HE2  TYR  10           HE1      TYR  10  13.212  -3.451  -1.638
  200    HH   TYR  10           HH       TYR  10  13.882  -1.780  -0.205
  201    H    GLU  11           H        GLU  11   6.779  -2.650   0.024
  202    HA   GLU  11           HA       GLU  11   5.114  -1.710  -2.180
  203    HB2  GLU  11           HB2      GLU  11   3.630  -2.672  -0.344
  204    HB3  GLU  11           HB1      GLU  11   4.292  -1.423   0.725
  205    HG2  GLU  11           HG2      GLU  11   3.598   0.202  -1.270
  206    HG3  GLU  11           HG1      GLU  11   2.540  -1.136  -1.731
  207    H    VAL  12           H        VAL  12   7.270  -0.875  -2.512
  208    HA   VAL  12           HA       VAL  12   9.064   0.353  -0.974
  209    HB   VAL  12           HB       VAL  12   8.239   0.795  -3.848
  210   HG11  VAL  12          HG11      VAL  12   9.275   2.915  -3.274
  211   HG12  VAL  12          HG12      VAL  12  10.616   2.066  -2.461
  212   HG13  VAL  12          HG13      VAL  12  10.401   1.962  -4.226
  213   HG21  VAL  12          HG21      VAL  12  10.374  -0.421  -4.240
  214   HG22  VAL  12          HG22      VAL  12  10.661  -0.498  -2.499
  215   HG23  VAL  12          HG23      VAL  12   9.284  -1.363  -3.228
  216    H    HIS  13           H        HIS  13   6.168   1.944  -2.255
  217    HA   HIS  13           HA       HIS  13   7.127   4.529  -2.103
  218    HB2  HIS  13           HB2      HIS  13   4.251   3.577  -1.950
  219    HB3  HIS  13           HB1      HIS  13   4.770   5.177  -2.457
  220    HD1  HIS  13           HD1      HIS  13   3.505   2.346  -4.070
  221    HD2  HIS  13           HD2      HIS  13   7.131   4.411  -4.477
  222    HE1  HIS  13           HE1      HIS  13   4.485   1.659  -6.318
  223    H    HIS  14           H        HIS  14   5.859   2.632   0.570
  224    HA   HIS  14           HA       HIS  14   6.724   4.875   2.225
  225    HB2  HIS  14           HB2      HIS  14   4.887   4.980   3.704
  226    HB3  HIS  14           HB1      HIS  14   4.261   5.216   2.081
  227    HD1  HIS  14           HD1      HIS  14   4.237   2.632   4.919
  228    HD2  HIS  14           HD2      HIS  14   2.490   3.412   1.184
  229    HE1  HIS  14           HE1      HIS  14   2.306   0.991   4.671
  230    H    GLN  15           H        GLN  15   7.025   1.701   1.453
  231    HA   GLN  15           HA       GLN  15   7.999   0.936   4.107
  232    HB2  GLN  15           HB2      GLN  15   8.032  -0.524   1.454
  233    HB3  GLN  15           HB1      GLN  15   8.740  -1.137   2.949
  234    HG2  GLN  15           HG2      GLN  15   6.582  -1.084   4.091
  235    HG3  GLN  15           HG1      GLN  15   5.794  -0.457   2.642
  236   HE21  GLN  15          HE22      GLN  15   4.499  -2.534   3.221
  237   HE22  GLN  15          HE21      GLN  15   5.022  -3.999   2.413
  238    H    LYS  16           H        LYS  16  10.417  -0.359   3.062
  239    HA   LYS  16           HA       LYS  16  12.139   1.847   3.442
  240    HB2  LYS  16           HB2      LYS  16  12.852  -0.979   2.575
  241    HB3  LYS  16           HB1      LYS  16  13.949   0.213   3.281
  242    HG2  LYS  16           HG2      LYS  16  12.475   0.203   5.331
  243    HG3  LYS  16           HG1      LYS  16  11.576  -1.136   4.601
  244    HD2  LYS  16           HD2      LYS  16  13.809  -2.378   4.406
  245    HD3  LYS  16           HD1      LYS  16  14.517  -1.085   5.388
  246    HE2  LYS  16           HE2      LYS  16  13.975  -2.927   6.838
  247    HE3  LYS  16           HE1      LYS  16  12.831  -1.622   7.185
  248    HZ1  LYS  16           HZ1      LYS  16  11.233  -2.755   5.812
  249    HZ2  LYS  16           HZ2      LYS  16  12.313  -3.941   5.458
  250    HZ3  LYS  16           HZ3      LYS  16  11.770  -3.768   7.000
  251    HN1  NH2  17           H2       NH2  17  10.588   1.322   0.540
  252    HN2  NH2  17           H1       NH2  17  11.848   1.883  -0.538
  Start of MODEL    7
    1    H1   ACE   0           H1       ACE   0 -10.426  -4.620  -0.070
    2    H2   ACE   0           H2       ACE   0 -11.106  -4.151   1.512
    3    H3   ACE   0           H3       ACE   0 -11.190  -5.838   0.975
    4    H    ASP   1           H        ASP   1 -13.491  -4.727   1.779
    5    HA   ASP   1           HA       ASP   1 -15.083  -5.075  -0.569
    6    HB2  ASP   1           HB2      ASP   1 -15.363  -5.977   1.887
    7    HB3  ASP   1           HB1      ASP   1 -16.182  -4.457   2.177
    8    H    ALA   2           H        ALA   2 -17.264  -3.772  -0.623
    9    HA   ALA   2           HA       ALA   2 -16.646  -1.425  -1.899
   10    HB1  ALA   2           HB1      ALA   2 -19.102  -1.143  -2.070
   11    HB2  ALA   2           HB2      ALA   2 -18.612  -2.828  -2.352
   12    HB3  ALA   2           HB3      ALA   2 -19.330  -2.358  -0.801
   13    H    GLU   3           H        GLU   3 -17.986  -1.798   1.360
   14    HA   GLU   3           HA       GLU   3 -18.404   0.883   2.112
   15    HB2  GLU   3           HB2      GLU   3 -18.375  -0.081   4.366
   16    HB3  GLU   3           HB1      GLU   3 -19.204  -1.179   3.255
   17    HG2  GLU   3           HG2      GLU   3 -16.867  -2.349   2.978
   18    HG3  GLU   3           HG1      GLU   3 -16.405  -1.405   4.394
   19    H    PHE   4           H        PHE   4 -15.370  -0.725   1.560
   20    HA   PHE   4           HA       PHE   4 -13.909   1.382   3.071
   21    HB2  PHE   4           HB2      PHE   4 -12.877  -1.251   1.978
   22    HB3  PHE   4           HB1      PHE   4 -12.033  -0.140   3.049
   23    HD1  PHE   4           HD1      PHE   4 -13.819   0.546   5.168
   24    HD2  PHE   4           HD2      PHE   4 -13.501  -3.201   3.092
   25    HE1  PHE   4           HE1      PHE   4 -14.694  -0.624   7.162
   26    HE2  PHE   4           HE2      PHE   4 -14.422  -4.378   5.072
   27    HZ   PHE   4           HZ       PHE   4 -15.004  -3.095   7.125
   28    H    ARG   5           H        ARG   5 -14.790   0.542  -0.163
   29    HA   ARG   5           HA       ARG   5 -12.421   1.657  -1.405
   30    HB2  ARG   5           HB2      ARG   5 -15.149   1.114  -2.576
   31    HB3  ARG   5           HB1      ARG   5 -13.665   1.401  -3.482
   32    HG2  ARG   5           HG2      ARG   5 -14.510  -1.043  -1.962
   33    HG3  ARG   5           HG1      ARG   5 -13.972  -0.910  -3.623
   34    HD2  ARG   5           HD2      ARG   5 -12.249  -0.712  -1.121
   35    HD3  ARG   5           HD1      ARG   5 -12.313  -2.053  -2.253
   36    HE   ARG   5           HE       ARG   5 -11.423   0.686  -3.051
   37   HH11  ARG   5          1HH1      ARG   5 -10.793  -2.815  -3.063
   38   HH12  ARG   5          2HH1      ARG   5  -9.318  -2.627  -3.983
   39   HH21  ARG   5          2HH2      ARG   5  -9.524   0.847  -4.231
   40   HH22  ARG   5          1HH2      ARG   5  -8.619  -0.588  -4.656
   41    H    ARG   6           H        ARG   6 -13.626   3.367   0.573
   42    HA   ARG   6           HA       ARG   6 -15.123   5.491  -0.630
   43    HB2  ARG   6           HB2      ARG   6 -13.781   5.365   2.081
   44    HB3  ARG   6           HB1      ARG   6 -15.143   6.383   1.619
   45    HG2  ARG   6           HG2      ARG   6 -15.141   3.359   1.938
   46    HG3  ARG   6           HG1      ARG   6 -15.795   4.545   3.048
   47    HD2  ARG   6           HD2      ARG   6 -17.679   3.756   2.044
   48    HD3  ARG   6           HD1      ARG   6 -17.373   5.256   1.171
   49    HE   ARG   6           HE       ARG   6 -16.756   2.476   0.237
   50   HH11  ARG   6          1HH2      ARG   6 -17.758   5.792  -0.644
   51   HH12  ARG   6          2HH2      ARG   6 -18.002   5.354  -2.319
   52   HH21  ARG   6          2HH1      ARG   6 -17.135   1.981  -1.891
   53   HH22  ARG   6          1HH1      ARG   6 -17.657   3.212  -3.016
   54    H    ASP   7           H        ASP   7 -14.419   7.793  -0.494
   55    HA   ASP   7           HA       ASP   7 -11.636   8.337  -1.079
   56    HB2  ASP   7           HB2      ASP   7 -12.267  10.569  -1.191
   57    HB3  ASP   7           HB1      ASP   7 -13.699   9.715  -1.759
   58    H    SER   8           H        SER   8 -13.471   7.834   1.784
   59    HA   SER   8           HA       SER   8 -12.267   9.459   3.655
   60    HB2  SER   8           HB2      SER   8 -13.524   6.733   4.138
   61    HB3  SER   8           HB1      SER   8 -13.421   8.083   5.282
   62    HG   SER   8           HG       SER   8 -15.373   8.345   4.484
   63    H    GLY   9           H        GLY   9 -10.232   7.477   2.101
   64    HA2  GLY   9           HA2      GLY   9  -8.422   7.543   4.382
   65    HA3  GLY   9           HA1      GLY   9  -8.697   5.953   3.694
   66    H    TYR  10           H        TYR  10  -6.623   6.747   0.843
   67    HA   TYR  10           HA       TYR  10  -6.970   4.875   2.996
   68    HB2  TYR  10           HB2      TYR  10  -9.063   5.248   1.034
   69    HB3  TYR  10           HB1      TYR  10  -8.222   3.791   0.607
   70    HD1  TYR  10           HD1      TYR  10  -7.522   2.484   3.103
   71    HD2  TYR  10           HD2      TYR  10 -11.049   4.728   2.084
   72    HE1  TYR  10           HE1      TYR  10  -8.769   1.250   4.808
   73    HE2  TYR  10           HE2      TYR  10 -12.342   3.439   3.750
   74    HH   TYR  10           HH       TYR  10 -10.833   0.863   5.748
   75    H    GLU  11           H        GLU  11  -5.810   3.084   2.719
   76    HA   GLU  11           HA       GLU  11  -5.147   2.271   0.012
   77    HB2  GLU  11           HB2      GLU  11  -3.086   3.312   1.262
   78    HB3  GLU  11           HB1      GLU  11  -3.127   1.840   2.223
   79    HG2  GLU  11           HG2      GLU  11  -3.299   0.752  -0.263
   80    HG3  GLU  11           HG1      GLU  11  -2.519   2.271  -0.706
   81    H    VAL  12           H        VAL  12  -6.952   1.010   0.187
   82    HA   VAL  12           HA       VAL  12  -8.068  -0.190   2.402
   83    HB   VAL  12           HB       VAL  12  -8.401  -0.542  -0.582
   84   HG11  VAL  12          HG11      VAL  12 -10.564  -1.699  -0.123
   85   HG12  VAL  12          HG12      VAL  12  -9.166  -2.681   0.283
   86   HG13  VAL  12          HG13      VAL  12 -10.090  -1.871   1.579
   87   HG21  VAL  12          HG21      VAL  12 -10.129   0.637   1.635
   88   HG22  VAL  12          HG22      VAL  12  -9.090   1.577   0.549
   89   HG23  VAL  12          HG23      VAL  12 -10.465   0.687  -0.120
   90    H    HIS  13           H        HIS  13  -5.447  -1.533   0.470
   91    HA   HIS  13           HA       HIS  13  -5.968  -4.248   1.189
   92    HB2  HIS  13           HB2      HIS  13  -3.492  -2.754   0.264
   93    HB3  HIS  13           HB1      HIS  13  -3.441  -4.459   0.666
   94    HD1  HIS  13           HD1      HIS  13  -2.791  -4.764  -2.003
   95    HD2  HIS  13           HD2      HIS  13  -6.730  -3.691  -1.037
   96    HE1  HIS  13           HE1      HIS  13  -4.221  -5.386  -4.012
   97    H    HIS  14           H        HIS  14  -4.846  -1.543   3.066
   98    HA   HIS  14           HA       HIS  14  -3.850  -3.338   5.196
   99    HB2  HIS  14           HB2      HIS  14  -3.751  -0.335   4.917
  100    HB3  HIS  14           HB1      HIS  14  -3.034  -1.276   6.230
  101    HD1  HIS  14           HD1      HIS  14  -1.530  -3.538   4.739
  102    HD2  HIS  14           HD2      HIS  14  -1.787   0.440   3.430
  103    HE1  HIS  14           HE1      HIS  14   0.411  -3.180   3.112
  104    H    GLN  15           H        GLN  15  -6.820  -1.766   4.324
  105    HA   GLN  15           HA       GLN  15  -8.045  -1.779   6.913
  106    HB2  GLN  15           HB2      GLN  15  -9.086  -0.917   4.758
  107    HB3  GLN  15           HB1      GLN  15  -9.149  -2.580   4.207
  108    HG2  GLN  15           HG2      GLN  15 -11.282  -2.058   4.991
  109    HG3  GLN  15           HG1      GLN  15 -10.580  -3.214   6.109
  110   HE21  GLN  15          HE21      GLN  15 -12.324  -2.420   7.562
  111   HE22  GLN  15          HE22      GLN  15 -12.032  -0.969   8.490
  112    H    LYS  16           H        LYS  16  -7.320  -4.104   4.361
  113    HA   LYS  16           HA       LYS  16  -8.266  -6.469   5.711
  114    HB2  LYS  16           HB2      LYS  16  -8.313  -5.983   3.276
  115    HB3  LYS  16           HB1      LYS  16  -6.562  -6.011   3.229
  116    HG2  LYS  16           HG2      LYS  16  -6.503  -8.380   3.727
  117    HG3  LYS  16           HG1      LYS  16  -8.250  -8.387   4.075
  118    HD2  LYS  16           HD2      LYS  16  -8.729  -7.696   1.757
  119    HD3  LYS  16           HD1      LYS  16  -6.993  -7.643   1.405
  120    HE2  LYS  16           HE2      LYS  16  -6.809 -10.058   1.826
  121    HE3  LYS  16           HE1      LYS  16  -8.537 -10.122   2.231
  122    HZ1  LYS  16           HZ1      LYS  16  -7.395  -9.317  -0.356
  123    HZ2  LYS  16           HZ2      LYS  16  -8.175 -10.731  -0.035
  124    HZ3  LYS  16           HZ3      LYS  16  -9.001  -9.307   0.015
  125    HN1  NH2  17           H2       NH2  17  -4.424  -5.845   6.863
  126    HN2  NH2  17           H1       NH2  17  -5.438  -4.571   6.220
  127    H1   ACE   0           H1       ACE   0   7.405   9.815  -3.560
  128    H2   ACE   0           H2       ACE   0   7.828   8.254  -2.846
  129    H3   ACE   0           H3       ACE   0   8.560   9.749  -2.214
  130    H    ASP   1           H        ASP   1  10.617   8.381  -2.677
  131    HA   ASP   1           HA       ASP   1  11.721   9.471  -5.156
  132    HB2  ASP   1           HB2      ASP   1  13.003   8.193  -2.721
  133    HB3  ASP   1           HB1      ASP   1  13.879   8.866  -4.088
  134    H    ALA   2           H        ALA   2  12.956   8.452  -6.643
  135    HA   ALA   2           HA       ALA   2  12.075   5.973  -7.606
  136    HB1  ALA   2           HB1      ALA   2  12.991   7.800  -8.979
  137    HB2  ALA   2           HB2      ALA   2  14.590   7.574  -8.235
  138    HB3  ALA   2           HB3      ALA   2  13.886   6.298  -9.258
  139    H    GLU   3           H        GLU   3  14.888   6.737  -5.600
  140    HA   GLU   3           HA       GLU   3  16.273   4.293  -5.755
  141    HB2  GLU   3           HB2      GLU   3  17.326   5.048  -3.685
  142    HB3  GLU   3           HB1      GLU   3  17.141   6.385  -4.829
  143    HG2  GLU   3           HG2      GLU   3  14.926   6.918  -3.601
  144    HG3  GLU   3           HG1      GLU   3  15.457   5.780  -2.364
  145    H    PHE   4           H        PHE   4  13.273   5.047  -4.053
  146    HA   PHE   4           HA       PHE   4  13.424   2.445  -2.627
  147    HB2  PHE   4           HB2      PHE   4  11.275   4.571  -2.509
  148    HB3  PHE   4           HB1      PHE   4  11.480   3.186  -1.436
  149    HD1  PHE   4           HD2      PHE   4  14.147   3.089  -0.563
  150    HD2  PHE   4           HD1      PHE   4  11.860   6.572  -1.563
  151    HE1  PHE   4           HE2      PHE   4  15.616   4.469   0.908
  152    HE2  PHE   4           HE1      PHE   4  13.337   7.970  -0.113
  153    HZ   PHE   4           HZ       PHE   4  15.204   6.911   1.132
  154    H    ARG   5           H        ARG   5  12.087   3.849  -5.533
  155    HA   ARG   5           HA       ARG   5   9.929   2.017  -5.754
  156    HB2  ARG   5           HB2      ARG   5  10.328   4.410  -6.783
  157    HB3  ARG   5           HB1      ARG   5  11.073   3.506  -8.094
  158    HG2  ARG   5           HG2      ARG   5   8.730   3.883  -8.616
  159    HG3  ARG   5           HG1      ARG   5   8.981   2.163  -8.317
  160    HD2  ARG   5           HD2      ARG   5   6.877   2.932  -7.260
  161    HD3  ARG   5           HD1      ARG   5   7.991   2.385  -6.049
  162    HE   ARG   5           HE       ARG   5   8.370   4.553  -5.319
  163   HH11  ARG   5          1HH2      ARG   5   6.092   4.596  -8.060
  164   HH12  ARG   5          2HH2      ARG   5   5.655   6.270  -7.794
  165   HH21  ARG   5          1HH1      ARG   5   7.789   6.708  -5.045
  166   HH22  ARG   5          2HH1      ARG   5   6.599   7.455  -6.084
  167    H    ARG   6           H        ARG   6  12.419   0.717  -5.202
  168    HA   ARG   6           HA       ARG   6  13.214  -0.772  -7.558
  169    HB2  ARG   6           HB2      ARG   6  13.859  -1.154  -4.609
  170    HB3  ARG   6           HB1      ARG   6  14.684  -1.941  -5.964
  171    HG2  ARG   6           HG2      ARG   6  14.659   1.001  -5.274
  172    HG3  ARG   6           HG1      ARG   6  16.015  -0.112  -5.078
  173    HD2  ARG   6           HD2      ARG   6  16.676   0.845  -7.046
  174    HD3  ARG   6           HD1      ARG   6  15.639  -0.410  -7.714
  175    HE   ARG   6           HE       ARG   6  14.607   2.345  -7.128
  176   HH11  ARG   6          1HH2      ARG   6  15.189  -0.217  -9.535
  177   HH12  ARG   6          2HH2      ARG   6  14.290   0.621 -10.779
  178   HH21  ARG   6          1HH1      ARG   6  13.453   3.376  -8.807
  179   HH22  ARG   6          2HH1      ARG   6  13.306   2.609 -10.371
  180    H    ASP   7           H        ASP   7  12.972  -3.097  -7.659
  181    HA   ASP   7           HA       ASP   7  10.501  -4.293  -6.803
  182    HB2  ASP   7           HB2      ASP   7  11.344  -6.202  -7.890
  183    HB3  ASP   7           HB1      ASP   7  12.001  -4.843  -8.818
  184    H    SER   8           H        SER   8  13.442  -3.682  -5.235
  185    HA   SER   8           HA       SER   8  13.876  -6.039  -3.818
  186    HB2  SER   8           HB2      SER   8  14.970  -3.263  -3.289
  187    HB3  SER   8           HB1      SER   8  15.721  -4.813  -2.835
  188    HG   SER   8           HG       SER   8  16.534  -3.862  -4.789
  189    H    GLY   9           H        GLY   9  11.387  -5.889  -3.029
  190    HA2  GLY   9           HA2      GLY   9  11.378  -5.919  -0.222
  191    HA3  GLY   9           HA1      GLY   9  10.709  -4.397  -0.764
  192    H    TYR  10           H        TYR  10   7.695  -6.003  -1.965
  193    HA   TYR  10           HA       TYR  10   8.614  -3.904  -0.239
  194    HB2  TYR  10           HB2      TYR  10   9.272  -3.840  -3.071
  195    HB3  TYR  10           HB1      TYR  10   7.981  -2.712  -2.811
  196    HD1  TYR  10           HD1      TYR  10   8.464  -1.391  -0.292
  197    HD2  TYR  10           HD2      TYR  10  11.316  -2.791  -3.167
  198    HE1  TYR  10           HE1      TYR  10  10.044   0.304   0.497
  199    HE2  TYR  10           HE2      TYR  10  12.918  -1.058  -2.431
  200    HH   TYR  10           HH       TYR  10  12.135   1.260   0.193
  201    H    GLU  11           H        GLU  11   6.987  -2.486   0.224
  202    HA   GLU  11           HA       GLU  11   5.268  -2.048  -2.010
  203    HB2  GLU  11           HB2      GLU  11   3.781  -3.146  -0.246
  204    HB3  GLU  11           HB1      GLU  11   4.124  -1.742   0.764
  205    HG2  GLU  11           HG2      GLU  11   3.395  -0.480  -1.544
  206    HG3  GLU  11           HG1      GLU  11   2.451  -1.972  -1.711
  207    H    VAL  12           H        VAL  12   6.084  -0.173  -2.638
  208    HA   VAL  12           HA       VAL  12   8.070   1.091  -1.136
  209    HB   VAL  12           HB       VAL  12   6.801   1.805  -3.790
  210   HG11  VAL  12          HG11      VAL  12   9.286   2.879  -2.396
  211   HG12  VAL  12          HG12      VAL  12   9.003   3.033  -4.134
  212   HG13  VAL  12          HG13      VAL  12   7.885   3.791  -3.014
  213   HG21  VAL  12          HG21      VAL  12   8.841   0.651  -4.642
  214   HG22  VAL  12          HG22      VAL  12   9.307   0.283  -2.968
  215   HG23  VAL  12          HG23      VAL  12   7.862  -0.434  -3.679
  216    H    HIS  13           H        HIS  13   4.656   1.874  -1.135
  217    HA   HIS  13           HA       HIS  13   4.982   4.589  -0.361
  218    HB2  HIS  13           HB2      HIS  13   2.827   2.660   0.580
  219    HB3  HIS  13           HB1      HIS  13   2.736   4.415   0.632
  220    HD1  HIS  13           HD1      HIS  13   1.033   2.006  -1.122
  221    HD2  HIS  13           HD2      HIS  13   3.506   5.156  -2.378
  222    HE1  HIS  13           HE1      HIS  13   0.441   2.462  -3.555
  223    H    HIS  14           H        HIS  14   5.895   1.673   1.292
  224    HA   HIS  14           HA       HIS  14   6.321   3.215   3.777
  225    HB2  HIS  14           HB2      HIS  14   5.384   0.383   4.100
  226    HB3  HIS  14           HB1      HIS  14   5.250   1.758   5.169
  227    HD1  HIS  14           HD1      HIS  14   3.116   3.449   4.585
  228    HD2  HIS  14           HD2      HIS  14   3.474  -0.152   2.467
  229    HE1  HIS  14           HE1      HIS  14   0.869   3.043   3.439
  230    H    GLN  15           H        GLN  15   6.861  -0.197   2.661
  231    HA   GLN  15           HA       GLN  15   9.641  -0.098   3.605
  232    HB2  GLN  15           HB2      GLN  15   7.297  -1.435   5.017
  233    HB3  GLN  15           HB1      GLN  15   8.959  -1.922   5.269
  234    HG2  GLN  15           HG2      GLN  15   9.493   0.478   5.917
  235    HG3  GLN  15           HG1      GLN  15   7.746   0.763   5.952
  236   HE21  GLN  15          HE22      GLN  15  10.406  -0.336   7.842
  237   HE22  GLN  15          HE21      GLN  15   9.469  -1.064   9.129
  238    H    LYS  16           H        LYS  16  10.674  -2.165   3.602
  239    HA   LYS  16           HA       LYS  16  10.169  -3.523   1.095
  240    HB2  LYS  16           HB2      LYS  16  12.338  -3.732   3.211
  241    HB3  LYS  16           HB1      LYS  16  12.332  -4.669   1.703
  242    HG2  LYS  16           HG2      LYS  16  12.276  -2.621   0.367
  243    HG3  LYS  16           HG1      LYS  16  12.222  -1.616   1.830
  244    HD2  LYS  16           HD2      LYS  16  14.386  -2.538   2.551
  245    HD3  LYS  16           HD1      LYS  16  14.482  -3.496   1.049
  246    HE2  LYS  16           HE2      LYS  16  14.265  -1.346  -0.248
  247    HE3  LYS  16           HE1      LYS  16  14.315  -0.462   1.293
  248    HZ1  LYS  16           HZ1      LYS  16  16.458  -1.557   1.685
  249    HZ2  LYS  16           HZ2      LYS  16  16.411  -2.162   0.156
  250    HZ3  LYS  16           HZ3      LYS  16  16.468  -0.533   0.393
  251    HN1  NH2  17           H2       NH2  17   9.802  -4.351   4.556
  252    HN2  NH2  17           H1       NH2  17   9.219  -5.974   4.269
  Start of MODEL    8
    1    H1   ACE   0           H1       ACE   0  -8.202  -4.347  -2.812
    2    H2   ACE   0           H2       ACE   0  -8.476  -2.907  -1.806
    3    H3   ACE   0           H3       ACE   0  -8.985  -4.513  -1.229
    4    H    ASP   1           H        ASP   1 -11.225  -4.449  -1.200
    5    HA   ASP   1           HA       ASP   1 -12.537  -4.643  -3.684
    6    HB2  ASP   1           HB2      ASP   1 -12.976  -5.735  -1.346
    7    HB3  ASP   1           HB1      ASP   1 -14.046  -4.350  -1.095
    8    H    ALA   2           H        ALA   2 -14.334  -3.471  -4.510
    9    HA   ALA   2           HA       ALA   2 -13.784  -0.830  -5.024
   10    HB1  ALA   2           HB1      ALA   2 -15.183  -2.277  -6.452
   11    HB2  ALA   2           HB2      ALA   2 -16.457  -2.289  -5.217
   12    HB3  ALA   2           HB3      ALA   2 -16.053  -0.787  -6.058
   13    H    GLU   3           H        GLU   3 -16.236  -2.043  -2.712
   14    HA   GLU   3           HA       GLU   3 -17.376   0.433  -2.014
   15    HB2  GLU   3           HB2      GLU   3 -18.262  -0.774  -0.102
   16    HB3  GLU   3           HB1      GLU   3 -18.338  -1.769  -1.564
   17    HG2  GLU   3           HG2      GLU   3 -16.103  -2.818  -0.792
   18    HG3  GLU   3           HG1      GLU   3 -16.343  -1.952   0.736
   19    H    PHE   4           H        PHE   4 -14.218  -0.737  -1.130
   20    HA   PHE   4           HA       PHE   4 -14.054   1.281   1.043
   21    HB2  PHE   4           HB2      PHE   4 -12.121  -0.914   0.320
   22    HB3  PHE   4           HB1      PHE   4 -12.080   0.119   1.758
   23    HD1  PHE   4           HD2      PHE   4 -14.199   0.064   3.286
   24    HD2  PHE   4           HD1      PHE   4 -13.136  -2.989   0.458
   25    HE1  PHE   4           HE2      PHE   4 -15.565  -1.586   4.559
   26    HE2  PHE   4           HE1      PHE   4 -14.519  -4.638   1.699
   27    HZ   PHE   4           HZ       PHE   4 -15.746  -3.927   3.754
   28    H    ARG   5           H        ARG   5 -13.202   0.885  -2.284
   29    HA   ARG   5           HA       ARG   5 -10.857   2.587  -2.255
   30    HB2  ARG   5           HB2      ARG   5 -12.752   1.745  -4.476
   31    HB3  ARG   5           HB1      ARG   5 -11.249   2.628  -4.721
   32    HG2  ARG   5           HG2      ARG   5 -11.524  -0.205  -3.675
   33    HG3  ARG   5           HG1      ARG   5 -10.888   0.317  -5.228
   34    HD2  ARG   5           HD2      ARG   5  -9.622   0.847  -2.508
   35    HD3  ARG   5           HD1      ARG   5  -9.074  -0.329  -3.693
   36    HE   ARG   5           HE       ARG   5  -8.833   2.612  -3.807
   37   HH11  ARG   5          1HH1      ARG   5  -8.321  -0.438  -5.562
   38   HH12  ARG   5          1HH2      ARG   5  -7.208   0.295  -6.695
   39   HH21  ARG   5          2HH2      ARG   5  -7.418   3.506  -5.317
   40   HH22  ARG   5          2HH1      ARG   5  -6.718   2.509  -6.568
   41    H    ARG   6           H        ARG   6 -13.474   3.529  -0.959
   42    HA   ARG   6           HA       ARG   6 -14.488   5.733  -2.409
   43    HB2  ARG   6           HB2      ARG   6 -14.502   5.214   0.585
   44    HB3  ARG   6           HB1      ARG   6 -15.594   6.290  -0.294
   45    HG2  ARG   6           HG2      ARG   6 -15.416   3.297  -0.496
   46    HG3  ARG   6           HG1      ARG   6 -16.690   4.217   0.300
   47    HD2  ARG   6           HD2      ARG   6 -17.794   3.767  -1.640
   48    HD3  ARG   6           HD1      ARG   6 -17.019   5.257  -2.135
   49    HE   ARG   6           HE       ARG   6 -15.976   2.496  -2.709
   50   HH11  ARG   6          2HH1      ARG   6 -16.525   5.821  -3.904
   51   HH12  ARG   6          2HH2      ARG   6 -15.961   5.417  -5.510
   52   HH21  ARG   6          1HH2      ARG   6 -15.297   2.075  -4.822
   53   HH22  ARG   6          1HH1      ARG   6 -15.297   3.346  -6.020
   54    H    ASP   7           H        ASP   7 -14.471   7.960  -1.406
   55    HA   ASP   7           HA       ASP   7 -11.935   9.178  -1.429
   56    HB2  ASP   7           HB2      ASP   7 -14.188  10.191  -1.959
   57    HB3  ASP   7           HB1      ASP   7 -14.578  10.127  -0.240
   58    H    SER   8           H        SER   8 -13.460   7.483   1.148
   59    HA   SER   8           HA       SER   8 -12.982   9.118   3.324
   60    HB2  SER   8           HB2      SER   8 -13.211   6.090   3.321
   61    HB3  SER   8           HB1      SER   8 -13.686   7.208   4.620
   62    HG   SER   8           HG       SER   8 -15.251   8.055   3.167
   63    H    GLY   9           H        GLY   9 -10.425   7.442   1.678
   64    HA2  GLY   9           HA2      GLY   9  -8.708   7.546   4.082
   65    HA3  GLY   9           HA1      GLY   9  -8.972   6.008   3.288
   66    H    TYR  10           H        TYR  10  -6.669   6.822   0.654
   67    HA   TYR  10           HA       TYR  10  -7.077   4.975   2.806
   68    HB2  TYR  10           HB2      TYR  10  -9.076   5.205   0.783
   69    HB3  TYR  10           HB1      TYR  10  -8.132   3.825   0.324
   70    HD1  TYR  10           HD1      TYR  10  -7.448   2.565   2.934
   71    HD2  TYR  10           HD2      TYR  10 -11.048   4.521   1.642
   72    HE1  TYR  10           HE1      TYR  10  -8.724   1.215   4.539
   73    HE2  TYR  10           HE2      TYR  10 -12.347   3.117   3.169
   74    HH   TYR  10           HH       TYR  10 -12.293   1.476   4.810
   75    H    GLU  11           H        GLU  11  -5.699   3.327   2.693
   76    HA   GLU  11           HA       GLU  11  -5.092   2.352   0.022
   77    HB2  GLU  11           HB2      GLU  11  -2.926   3.194   1.019
   78    HB3  GLU  11           HB1      GLU  11  -3.152   2.048   2.346
   79    HG2  GLU  11           HG2      GLU  11  -3.438   0.257   0.446
   80    HG3  GLU  11           HG1      GLU  11  -2.747   1.484  -0.620
   81    H    VAL  12           H        VAL  12  -6.799   0.928   0.104
   82    HA   VAL  12           HA       VAL  12  -7.938  -0.159   2.428
   83    HB   VAL  12           HB       VAL  12  -8.139  -0.858  -0.521
   84   HG11  VAL  12          HG11      VAL  12  -9.879  -1.900   1.750
   85   HG12  VAL  12          HG12      VAL  12 -10.239  -2.058   0.013
   86   HG13  VAL  12          HG13      VAL  12  -8.839  -2.873   0.682
   87   HG21  VAL  12          HG21      VAL  12  -8.959   1.391   0.199
   88   HG22  VAL  12          HG22      VAL  12 -10.255   0.332  -0.347
   89   HG23  VAL  12          HG23      VAL  12  -9.985   0.610   1.400
   90    H    HIS  13           H        HIS  13  -5.242  -1.293   0.488
   91    HA   HIS  13           HA       HIS  13  -5.638  -4.001   0.773
   92    HB2  HIS  13           HB2      HIS  13  -3.096  -2.418   0.267
   93    HB3  HIS  13           HB1      HIS  13  -3.188  -4.160   0.130
   94    HD1  HIS  13           HD1      HIS  13  -2.579  -2.222  -2.374
   95    HD2  HIS  13           HD2      HIS  13  -6.270  -3.917  -1.348
   96    HE1  HIS  13           HE1      HIS  13  -4.005  -2.176  -4.480
   97    H    HIS  14           H        HIS  14  -4.590  -1.964   3.335
   98    HA   HIS  14           HA       HIS  14  -3.582  -4.364   4.824
   99    HB2  HIS  14           HB2      HIS  14  -2.990  -1.478   5.514
  100    HB3  HIS  14           HB1      HIS  14  -2.283  -2.925   6.213
  101    HD1  HIS  14           HD1      HIS  14  -1.111  -4.484   3.890
  102    HD2  HIS  14           HD2      HIS  14  -1.229  -0.292   4.067
  103    HE1  HIS  14           HE1      HIS  14   0.621  -3.640   2.219
  104    H    GLN  15           H        GLN  15  -6.492  -2.980   4.470
  105    HA   GLN  15           HA       GLN  15  -7.093  -3.003   7.376
  106    HB2  GLN  15           HB2      GLN  15  -7.634  -0.847   5.324
  107    HB3  GLN  15           HB1      GLN  15  -8.688  -1.073   6.729
  108    HG2  GLN  15           HG2      GLN  15  -6.850  -0.800   8.275
  109    HG3  GLN  15           HG1      GLN  15  -5.671  -0.722   6.953
  110   HE21  GLN  15          HE21      GLN  15  -8.856   0.917   7.487
  111   HE22  GLN  15          HE22      GLN  15  -8.222   2.530   7.247
  112    H    LYS  16           H        LYS  16  -8.925  -2.602   4.269
  113    HA   LYS  16           HA       LYS  16 -10.941  -4.457   5.476
  114    HB2  LYS  16           HB2      LYS  16 -11.299  -2.064   3.642
  115    HB3  LYS  16           HB1      LYS  16 -12.577  -3.146   4.196
  116    HG2  LYS  16           HG2      LYS  16 -10.910  -1.327   5.970
  117    HG3  LYS  16           HG1      LYS  16 -12.579  -1.078   5.455
  118    HD2  LYS  16           HD2      LYS  16 -13.184  -3.252   6.625
  119    HD3  LYS  16           HD1      LYS  16 -11.540  -3.247   7.324
  120    HE2  LYS  16           HE2      LYS  16 -11.975  -0.966   8.228
  121    HE3  LYS  16           HE1      LYS  16 -13.613  -1.040   7.564
  122    HZ1  LYS  16           HZ1      LYS  16 -14.045  -2.901   8.970
  123    HZ2  LYS  16           HZ2      LYS  16 -12.525  -2.842   9.601
  124    HZ3  LYS  16           HZ3      LYS  16 -13.572  -1.602   9.867
  125    HN1  NH2  17           H2       NH2  17 -11.601  -6.270   2.534
  126    HN2  NH2  17           H1       NH2  17 -12.241  -5.738   4.073
  127    H1   ACE   0           H1       ACE   0  12.154   6.193  -2.410
  128    H2   ACE   0           H2       ACE   0  12.616   7.906  -2.329
  129    H3   ACE   0           H3       ACE   0  11.551   7.348  -3.625
  130    H    ASP   1           H        ASP   1  14.886   7.213  -2.355
  131    HA   ASP   1           HA       ASP   1  16.003   7.277  -4.984
  132    HB2  ASP   1           HB2      ASP   1  16.904   8.164  -2.674
  133    HB3  ASP   1           HB1      ASP   1  17.589   6.540  -2.519
  134    H    ALA   2           H        ALA   2  17.237   5.724  -6.048
  135    HA   ALA   2           HA       ALA   2  16.042   3.350  -6.524
  136    HB1  ALA   2           HB1      ALA   2  18.127   2.766  -7.751
  137    HB2  ALA   2           HB2      ALA   2  17.599   4.439  -8.036
  138    HB3  ALA   2           HB3      ALA   2  18.956   4.105  -6.939
  139    H    GLU   3           H        GLU   3  18.934   3.732  -4.483
  140    HA   GLU   3           HA       GLU   3  19.668   1.158  -3.958
  141    HB2  GLU   3           HB2      GLU   3  20.665   2.076  -1.884
  142    HB3  GLU   3           HB1      GLU   3  20.922   3.128  -3.268
  143    HG2  GLU   3           HG2      GLU   3  18.724   4.361  -2.441
  144    HG3  GLU   3           HG1      GLU   3  19.027   3.464  -0.945
  145    H    PHE   4           H        PHE   4  16.916   2.836  -2.379
  146    HA   PHE   4           HA       PHE   4  16.307   0.312  -0.917
  147    HB2  PHE   4           HB2      PHE   4  15.372   1.567   0.800
  148    HB3  PHE   4           HB1      PHE   4  16.952   2.257   0.482
  149    HD1  PHE   4           HD1      PHE   4  13.313   2.761   0.265
  150    HD2  PHE   4           HD2      PHE   4  17.154   4.493  -0.540
  151    HE1  PHE   4           HE1      PHE   4  12.263   5.009   0.045
  152    HE2  PHE   4           HE2      PHE   4  16.127   6.747  -0.669
  153    HZ   PHE   4           HZ       PHE   4  13.688   7.001  -0.373
  154    H    ARG   5           H        ARG   5  15.297   2.341  -3.459
  155    HA   ARG   5           HA       ARG   5  12.525   1.483  -3.437
  156    HB2  ARG   5           HB2      ARG   5  13.245   3.721  -4.224
  157    HB3  ARG   5           HB1      ARG   5  14.169   2.958  -5.517
  158    HG2  ARG   5           HG2      ARG   5  12.003   3.803  -6.301
  159    HG3  ARG   5           HG1      ARG   5  12.159   2.059  -6.499
  160    HD2  ARG   5           HD2      ARG   5   9.917   2.575  -5.743
  161    HD3  ARG   5           HD1      ARG   5  10.756   1.665  -4.509
  162    HE   ARG   5           HE       ARG   5  10.706   3.462  -3.091
  163   HH11  ARG   5          2HH1      ARG   5   9.738   4.604  -6.317
  164   HH12  ARG   5          2HH2      ARG   5   8.999   6.058  -5.690
  165   HH21  ARG   5          1HH1      ARG   5   9.671   5.321  -2.333
  166   HH22  ARG   5          1HH2      ARG   5   8.944   6.445  -3.455
  167    H    ARG   6           H        ARG   6  13.697  -0.680  -3.024
  168    HA   ARG   6           HA       ARG   6  14.996  -2.015  -5.223
  169    HB2  ARG   6           HB2      ARG   6  14.262  -2.640  -2.361
  170    HB3  ARG   6           HB1      ARG   6  15.100  -3.817  -3.371
  171    HG2  ARG   6           HG2      ARG   6  16.116  -1.044  -2.622
  172    HG3  ARG   6           HG1      ARG   6  16.539  -2.530  -1.793
  173    HD2  ARG   6           HD2      ARG   6  18.376  -2.229  -3.133
  174    HD3  ARG   6           HD1      ARG   6  17.414  -3.340  -4.098
  175    HE   ARG   6           HE       ARG   6  17.194  -0.410  -4.557
  176   HH11  ARG   6          2HH1      ARG   6  18.265  -3.569  -5.762
  177   HH12  ARG   6          2HH2      ARG   6  18.518  -2.976  -7.386
  178   HH21  ARG   6          1HH1      ARG   6  17.511   0.308  -6.687
  179   HH22  ARG   6          1HH2      ARG   6  18.105  -0.803  -7.902
  180    H    ASP   7           H        ASP   7  14.341  -4.170  -5.970
  181    HA   ASP   7           HA       ASP   7  11.452  -4.435  -6.355
  182    HB2  ASP   7           HB2      ASP   7  11.961  -5.989  -7.986
  183    HB3  ASP   7           HB1      ASP   7  13.291  -4.835  -8.094
  184    H    SER   8           H        SER   8  13.694  -5.501  -4.062
  185    HA   SER   8           HA       SER   8  12.874  -8.131  -3.566
  186    HB2  SER   8           HB2      SER   8  14.362  -6.196  -1.758
  187    HB3  SER   8           HB1      SER   8  14.355  -7.965  -1.611
  188    HG   SER   8           HG       SER   8  15.408  -8.131  -3.546
  189    H    GLY   9           H        GLY   9  10.462  -6.507  -3.459
  190    HA2  GLY   9           HA2      GLY   9   9.233  -7.640  -1.135
  191    HA3  GLY   9           HA1      GLY   9   9.382  -5.895  -1.004
  192    H    TYR  10           H        TYR  10   6.874  -5.369  -3.602
  193    HA   TYR  10           HA       TYR  10   7.740  -4.500  -1.014
  194    HB2  TYR  10           HB2      TYR  10   9.437  -4.068  -3.341
  195    HB3  TYR  10           HB1      TYR  10   8.728  -2.562  -2.909
  196    HD1  TYR  10           HD2      TYR  10   8.615  -2.562   0.047
  197    HD2  TYR  10           HD1      TYR  10  11.593  -4.193  -2.596
  198    HE1  TYR  10           HE2      TYR  10  10.338  -2.180   1.767
  199    HE2  TYR  10           HE1      TYR  10  13.310  -3.858  -0.871
  200    HH   TYR  10           HH       TYR  10  13.803  -2.980   1.168
  201    H    GLU  11           H        GLU  11   6.934  -2.503  -0.455
  202    HA   GLU  11           HA       GLU  11   5.414  -0.963  -2.412
  203    HB2  GLU  11           HB2      GLU  11   3.887  -2.531  -1.041
  204    HB3  GLU  11           HB1      GLU  11   4.329  -1.539   0.356
  205    HG2  GLU  11           HG2      GLU  11   3.583   0.447  -1.260
  206    HG3  GLU  11           HG1      GLU  11   2.732  -0.850  -2.120
  207    H    VAL  12           H        VAL  12   7.772  -0.215  -2.072
  208    HA   VAL  12           HA       VAL  12   8.852   0.794   0.220
  209    HB   VAL  12           HB       VAL  12   9.341   1.658  -2.630
  210   HG11  VAL  12          HG11      VAL  12  10.981   2.157  -0.100
  211   HG12  VAL  12          HG12      VAL  12  11.653   2.305  -1.727
  212   HG13  VAL  12          HG13      VAL  12  10.359   3.371  -1.236
  213   HG21  VAL  12          HG21      VAL  12  10.803  -0.331  -0.848
  214   HG22  VAL  12          HG22      VAL  12   9.728  -0.733  -2.204
  215   HG23  VAL  12          HG23      VAL  12  11.242   0.090  -2.513
  216    H    HIS  13           H        HIS  13   6.305   2.296  -1.677
  217    HA   HIS  13           HA       HIS  13   6.877   4.974  -1.058
  218    HB2  HIS  13           HB2      HIS  13   4.272   3.566  -1.741
  219    HB3  HIS  13           HB1      HIS  13   4.416   5.323  -1.581
  220    HD1  HIS  13           HD1      HIS  13   5.710   6.615  -3.516
  221    HD2  HIS  13           HD2      HIS  13   5.674   2.428  -3.847
  222    HE1  HIS  13           HE1      HIS  13   6.682   6.058  -5.806
  223    H    HIS  14           H        HIS  14   5.744   2.506   1.097
  224    HA   HIS  14           HA       HIS  14   6.189   4.560   3.078
  225    HB2  HIS  14           HB2      HIS  14   4.381   4.120   4.551
  226    HB3  HIS  14           HB1      HIS  14   3.748   4.606   2.989
  227    HD1  HIS  14           HD1      HIS  14   3.822   1.611   5.345
  228    HD2  HIS  14           HD2      HIS  14   2.314   2.794   1.610
  229    HE1  HIS  14           HE1      HIS  14   2.041  -0.096   4.708
  230    H    GLN  15           H        GLN  15   6.930   1.536   1.907
  231    HA   GLN  15           HA       GLN  15   7.905   0.551   4.510
  232    HB2  GLN  15           HB2      GLN  15   7.963  -0.694   1.736
  233    HB3  GLN  15           HB1      GLN  15   8.629  -1.416   3.204
  234    HG2  GLN  15           HG2      GLN  15   6.413  -1.258   4.288
  235    HG3  GLN  15           HG1      GLN  15   5.693  -0.710   2.772
  236   HE21  GLN  15          HE22      GLN  15   6.040  -3.379   4.671
  237   HE22  GLN  15          HE21      GLN  15   5.965  -4.629   3.446
  238    H    LYS  16           H        LYS  16  10.232  -0.241   4.463
  239    HA   LYS  16           HA       LYS  16  11.827   2.107   3.993
  240    HB2  LYS  16           HB2      LYS  16  12.509  -0.606   5.173
  241    HB3  LYS  16           HB1      LYS  16  13.559   0.815   5.210
  242    HG2  LYS  16           HG2      LYS  16  11.985   2.062   6.574
  243    HG3  LYS  16           HG1      LYS  16  10.760   0.811   6.417
  244    HD2  LYS  16           HD2      LYS  16  11.773   0.644   8.600
  245    HD3  LYS  16           HD1      LYS  16  12.208  -0.787   7.644
  246    HE2  LYS  16           HE2      LYS  16  14.378   0.327   7.056
  247    HE3  LYS  16           HE1      LYS  16  13.924   1.692   8.088
  248    HZ1  LYS  16           HZ1      LYS  16  13.896   0.223   9.941
  249    HZ2  LYS  16           HZ2      LYS  16  14.233  -1.072   8.979
  250    HZ3  LYS  16           HZ3      LYS  16  15.354   0.112   9.177
  251    HN1  NH2  17           H2       NH2  17  10.989   0.178   1.576
  252    HN2  NH2  17           H1       NH2  17  12.515   0.001   0.736
  Start of MODEL    9
    1    H1   ACE   0           H1       ACE   0  -9.782  -5.186  -0.569
    2    H2   ACE   0           H2       ACE   0  -9.787  -5.528   1.166
    3    H3   ACE   0           H3       ACE   0  -9.224  -6.769   0.016
    4    H    ASP   1           H        ASP   1 -12.099  -4.627   0.401
    5    HA   ASP   1           HA       ASP   1 -13.937  -6.525  -0.695
    6    HB2  ASP   1           HB2      ASP   1 -13.288  -7.180   1.915
    7    HB3  ASP   1           HB1      ASP   1 -14.662  -6.111   2.164
    8    H    ALA   2           H        ALA   2 -16.206  -5.709  -0.557
    9    HA   ALA   2           HA       ALA   2 -16.339  -3.153  -1.547
   10    HB1  ALA   2           HB1      ALA   2 -18.541  -4.808  -0.235
   11    HB2  ALA   2           HB2      ALA   2 -18.807  -3.386  -1.254
   12    HB3  ALA   2           HB3      ALA   2 -18.069  -4.841  -1.945
   13    H    GLU   3           H        GLU   3 -17.145  -4.153   1.791
   14    HA   GLU   3           HA       GLU   3 -18.021  -1.645   2.772
   15    HB2  GLU   3           HB2      GLU   3 -17.797  -2.690   4.947
   16    HB3  GLU   3           HB1      GLU   3 -18.437  -3.868   3.798
   17    HG2  GLU   3           HG2      GLU   3 -15.970  -4.636   3.480
   18    HG3  GLU   3           HG1      GLU   3 -15.611  -3.658   4.906
   19    H    PHE   4           H        PHE   4 -14.794  -2.734   2.064
   20    HA   PHE   4           HA       PHE   4 -13.595  -0.536   3.649
   21    HB2  PHE   4           HB2      PHE   4 -12.189  -2.725   2.121
   22    HB3  PHE   4           HB1      PHE   4 -11.499  -1.639   3.322
   23    HD1  PHE   4           HD2      PHE   4 -13.082  -1.726   5.662
   24    HD2  PHE   4           HD1      PHE   4 -12.446  -4.879   2.824
   25    HE1  PHE   4           HE2      PHE   4 -13.541  -3.406   7.438
   26    HE2  PHE   4           HE1      PHE   4 -12.934  -6.566   4.573
   27    HZ   PHE   4           HZ       PHE   4 -13.454  -5.825   6.887
   28    H    ARG   5           H        ARG   5 -14.472  -1.368   0.354
   29    HA   ARG   5           HA       ARG   5 -12.604   0.447  -0.891
   30    HB2  ARG   5           HB2      ARG   5 -15.180  -0.783  -1.902
   31    HB3  ARG   5           HB1      ARG   5 -14.035   0.128  -2.889
   32    HG2  ARG   5           HG2      ARG   5 -13.774  -2.658  -1.840
   33    HG3  ARG   5           HG1      ARG   5 -13.562  -2.040  -3.459
   34    HD2  ARG   5           HD2      ARG   5 -11.662  -1.646  -1.116
   35    HD3  ARG   5           HD1      ARG   5 -11.409  -2.698  -2.501
   36    HE   ARG   5           HE       ARG   5 -11.823   0.201  -2.964
   37   HH11  ARG   5          1HH1      ARG   5  -9.508  -2.506  -3.024
   38   HH12  ARG   5          1HH2      ARG   5  -8.309  -1.569  -3.879
   39   HH21  ARG   5          2HH2      ARG   5 -10.244   1.347  -4.048
   40   HH22  ARG   5          2HH1      ARG   5  -8.713   0.593  -4.436
   41    H    ARG   6           H        ARG   6 -13.863   1.662   1.280
   42    HA   ARG   6           HA       ARG   6 -15.862   3.535   0.418
   43    HB2  ARG   6           HB2      ARG   6 -14.209   3.442   2.958
   44    HB3  ARG   6           HB1      ARG   6 -15.722   4.324   2.699
   45    HG2  ARG   6           HG2      ARG   6 -15.342   1.322   2.773
   46    HG3  ARG   6           HG1      ARG   6 -16.048   2.314   4.043
   47    HD2  ARG   6           HD2      ARG   6 -17.918   1.400   3.070
   48    HD3  ARG   6           HD1      ARG   6 -17.820   2.983   2.281
   49    HE   ARG   6           HE       ARG   6 -16.833   0.421   1.075
   50   HH11  ARG   6          2HH1      ARG   6 -18.779   3.396   0.705
   51   HH12  ARG   6          2HH2      ARG   6 -19.121   3.061  -0.974
   52   HH21  ARG   6          1HH2      ARG   6 -17.288   0.076  -1.087
   53   HH22  ARG   6          1HH1      ARG   6 -18.279   1.205  -1.983
   54    H    ASP   7           H        ASP   7 -15.532   5.804   0.894
   55    HA   ASP   7           HA       ASP   7 -13.296   6.951  -0.516
   56    HB2  ASP   7           HB2      ASP   7 -15.645   7.747  -0.663
   57    HB3  ASP   7           HB1      ASP   7 -15.649   8.078   1.073
   58    H    SER   8           H        SER   8 -14.264   6.596   2.907
   59    HA   SER   8           HA       SER   8 -12.850   8.886   3.733
   60    HB2  SER   8           HB2      SER   8 -13.979   6.689   5.474
   61    HB3  SER   8           HB1      SER   8 -13.728   8.394   5.904
   62    HG   SER   8           HG       SER   8 -15.303   8.909   4.309
   63    H    GLY   9           H        GLY   9 -11.147   6.308   2.789
   64    HA2  GLY   9           HA2      GLY   9  -9.131   6.604   4.966
   65    HA3  GLY   9           HA1      GLY   9  -9.399   5.094   4.090
   66    H    TYR  10           H        TYR  10  -7.485   6.304   1.298
   67    HA   TYR  10           HA       TYR  10  -7.515   4.268   3.315
   68    HB2  TYR  10           HB2      TYR  10  -9.715   4.495   1.463
   69    HB3  TYR  10           HB1      TYR  10  -8.726   3.187   0.900
   70    HD1  TYR  10           HD1      TYR  10  -7.748   1.819   3.285
   71    HD2  TYR  10           HD2      TYR  10 -11.547   3.733   2.618
   72    HE1  TYR  10           HE1      TYR  10  -8.774   0.279   4.898
   73    HE2  TYR  10           HE2      TYR  10 -12.594   2.188   4.236
   74    HH   TYR  10           HH       TYR  10 -12.294   0.356   5.593
   75    H    GLU  11           H        GLU  11  -6.204   2.608   2.846
   76    HA   GLU  11           HA       GLU  11  -5.479   2.125   0.096
   77    HB2  GLU  11           HB2      GLU  11  -3.549   3.388   1.220
   78    HB3  GLU  11           HB1      GLU  11  -3.348   1.966   2.257
   79    HG2  GLU  11           HG2      GLU  11  -3.424   0.705  -0.111
   80    HG3  GLU  11           HG1      GLU  11  -2.964   2.301  -0.733
   81    H    VAL  12           H        VAL  12  -7.290   0.788   0.565
   82    HA   VAL  12           HA       VAL  12  -7.804  -0.934   2.598
   83    HB   VAL  12           HB       VAL  12  -8.423  -1.216  -0.374
   84   HG11  VAL  12          HG11      VAL  12  -8.818  -3.391   0.584
   85   HG12  VAL  12          HG12      VAL  12  -9.637  -2.693   1.998
   86   HG13  VAL  12          HG13      VAL  12 -10.383  -2.613   0.389
   87   HG21  VAL  12          HG21      VAL  12  -9.267   0.861   0.748
   88   HG22  VAL  12          HG22      VAL  12 -10.555  -0.218   0.228
   89   HG23  VAL  12          HG23      VAL  12 -10.065  -0.172   1.949
   90    H    HIS  13           H        HIS  13  -5.636  -1.474  -0.152
   91    HA   HIS  13           HA       HIS  13  -5.599  -4.234  -0.142
   92    HB2  HIS  13           HB2      HIS  13  -3.505  -2.198  -0.973
   93    HB3  HIS  13           HB1      HIS  13  -3.344  -3.920  -1.298
   94    HD1  HIS  13           HD1      HIS  13  -4.316  -4.715  -3.518
   95    HD2  HIS  13           HD2      HIS  13  -6.060  -1.176  -2.077
   96    HE1  HIS  13           HE1      HIS  13  -5.972  -3.947  -5.289
   97    H    HIS  14           H        HIS  14  -4.276  -2.279   2.374
   98    HA   HIS  14           HA       HIS  14  -3.686  -4.777   3.661
   99    HB2  HIS  14           HB2      HIS  14  -1.431  -4.417   4.351
  100    HB3  HIS  14           HB1      HIS  14  -1.497  -4.283   2.611
  101    HD1  HIS  14           HD1      HIS  14  -1.090  -1.952   5.659
  102    HD2  HIS  14           HD2      HIS  14  -0.696  -2.091   1.490
  103    HE1  HIS  14           HE1      HIS  14   0.102   0.198   4.965
  104    H    GLN  15           H        GLN  15  -5.091  -1.771   3.844
  105    HA   GLN  15           HA       GLN  15  -4.535  -1.340   6.678
  106    HB2  GLN  15           HB2      GLN  15  -6.221   0.060   4.612
  107    HB3  GLN  15           HB1      GLN  15  -6.364   0.419   6.336
  108    HG2  GLN  15           HG2      GLN  15  -4.002   0.966   6.522
  109    HG3  GLN  15           HG1      GLN  15  -3.709   0.519   4.837
  110   HE21  GLN  15          HE21      GLN  15  -2.823   2.942   5.326
  111   HE22  GLN  15          HE22      GLN  15  -3.924   4.183   4.765
  112    H    LYS  16           H        LYS  16  -7.205  -2.741   4.731
  113    HA   LYS  16           HA       LYS  16  -8.080  -4.187   7.115
  114    HB2  LYS  16           HB2      LYS  16  -9.972  -2.264   5.688
  115    HB3  LYS  16           HB1      LYS  16 -10.485  -3.591   6.731
  116    HG2  LYS  16           HG2      LYS  16  -9.003  -2.508   8.563
  117    HG3  LYS  16           HG1      LYS  16  -9.051  -1.059   7.528
  118    HD2  LYS  16           HD2      LYS  16 -11.584  -1.234   7.581
  119    HD3  LYS  16           HD1      LYS  16 -11.410  -2.589   8.707
  120    HE2  LYS  16           HE2      LYS  16 -10.091  -1.065  10.224
  121    HE3  LYS  16           HE1      LYS  16 -10.468   0.278   9.128
  122    HZ1  LYS  16           HZ1      LYS  16 -12.028   0.167  10.917
  123    HZ2  LYS  16           HZ2      LYS  16 -12.797  -0.206   9.508
  124    HZ3  LYS  16           HZ3      LYS  16 -12.401  -1.399  10.566
  125    HN1  NH2  17           H2       NH2  17  -8.698  -5.349   3.262
  126    HN2  NH2  17           H1       NH2  17  -7.925  -3.823   3.637
  127    H1   ACE   0           H1       ACE   0  17.214   4.717  -4.241
  128    H2   ACE   0           H2       ACE   0  16.117   5.991  -3.675
  129    H3   ACE   0           H3       ACE   0  17.708   5.783  -2.916
  130    H    ASP   1           H        ASP   1  16.568   2.723  -1.132
  131    HA   ASP   1           HA       ASP   1  18.615   3.361  -3.098
  132    HB2  ASP   1           HB2      ASP   1  18.691   4.859  -0.873
  133    HB3  ASP   1           HB1      ASP   1  19.531   3.442  -0.239
  134    H    ALA   2           H        ALA   2  20.162   1.799  -3.281
  135    HA   ALA   2           HA       ALA   2  19.463  -0.650  -3.748
  136    HB1  ALA   2           HB1      ALA   2  21.826  -1.319  -3.626
  137    HB2  ALA   2           HB2      ALA   2  21.647   0.314  -4.304
  138    HB3  ALA   2           HB3      ALA   2  22.190   0.096  -2.628
  139    H    GLU   3           H        GLU   3  21.014   0.053  -0.619
  140    HA   GLU   3           HA       GLU   3  21.284  -2.455   0.386
  141    HB2  GLU   3           HB2      GLU   3  21.521  -1.402   2.553
  142    HB3  GLU   3           HB1      GLU   3  22.246  -0.393   1.298
  143    HG2  GLU   3           HG2      GLU   3  19.818   0.746   1.287
  144    HG3  GLU   3           HG1      GLU   3  19.739   0.049   2.915
  145    H    PHE   4           H        PHE   4  18.324  -0.462   0.739
  146    HA   PHE   4           HA       PHE   4  16.912  -2.826   1.840
  147    HB2  PHE   4           HB2      PHE   4  15.252  -1.260   2.596
  148    HB3  PHE   4           HB1      PHE   4  16.845  -0.829   3.197
  149    HD1  PHE   4           HD2      PHE   4  14.267   0.029   0.626
  150    HD2  PHE   4           HD1      PHE   4  17.825   1.267   2.684
  151    HE1  PHE   4           HE2      PHE   4  13.888   2.378  -0.125
  152    HE2  PHE   4           HE1      PHE   4  17.433   3.616   1.985
  153    HZ   PHE   4           HZ       PHE   4  15.421   4.175   0.637
  154    H    ARG   5           H        ARG   5  17.295  -1.013  -1.096
  155    HA   ARG   5           HA       ARG   5  14.738  -1.782  -2.246
  156    HB2  ARG   5           HB2      ARG   5  17.299  -0.565  -3.306
  157    HB3  ARG   5           HB1      ARG   5  16.042  -1.079  -4.411
  158    HG2  ARG   5           HG2      ARG   5  15.734   0.996  -2.219
  159    HG3  ARG   5           HG1      ARG   5  15.831   1.271  -3.952
  160    HD2  ARG   5           HD2      ARG   5  13.568   0.170  -2.303
  161    HD3  ARG   5           HD1      ARG   5  13.548   1.479  -3.484
  162    HE   ARG   5           HE       ARG   5  13.300  -1.411  -3.947
  163   HH11  ARG   5          2HH1      ARG   5  13.781   1.721  -5.538
  164   HH12  ARG   5          2HH2      ARG   5  13.241   1.121  -7.087
  165   HH21  ARG   5          1HH1      ARG   5  12.646  -2.148  -5.961
  166   HH22  ARG   5          1HH2      ARG   5  12.615  -1.065  -7.334
  167    H    ARG   6           H        ARG   6  16.211  -3.860  -0.961
  168    HA   ARG   6           HA       ARG   6  17.128  -5.960  -2.516
  169    HB2  ARG   6           HB2      ARG   6  15.095  -5.946  -0.261
  170    HB3  ARG   6           HB1      ARG   6  16.137  -7.301  -0.710
  171    HG2  ARG   6           HG2      ARG   6  16.997  -4.645   0.515
  172    HG3  ARG   6           HG1      ARG   6  16.823  -6.165   1.359
  173    HD2  ARG   6           HD2      ARG   6  19.119  -5.958   1.024
  174    HD3  ARG   6           HD1      ARG   6  18.606  -7.121  -0.196
  175    HE   ARG   6           HE       ARG   6  19.019  -4.221  -0.786
  176   HH11  ARG   6          2HH1      ARG   6  19.818  -7.609  -1.566
  177   HH12  ARG   6          2HH2      ARG   6  20.891  -7.142  -2.867
  178   HH21  ARG   6          1HH1      ARG   6  20.421  -3.705  -2.453
  179   HH22  ARG   6          1HH2      ARG   6  21.227  -4.964  -3.362
  180    H    ASP   7           H        ASP   7  16.055  -7.366  -3.955
  181    HA   ASP   7           HA       ASP   7  14.031  -6.266  -5.469
  182    HB2  ASP   7           HB2      ASP   7  13.983  -8.365  -6.680
  183    HB3  ASP   7           HB1      ASP   7  15.639  -7.939  -6.249
  184    H    SER   8           H        SER   8  13.643  -8.642  -2.862
  185    HA   SER   8           HA       SER   8  10.859  -9.116  -3.462
  186    HB2  SER   8           HB2      SER   8  12.670 -10.011  -1.203
  187    HB3  SER   8           HB1      SER   8  10.992 -10.537  -1.393
  188    HG   SER   8           HG       SER   8  12.943 -10.821  -3.428
  189    H    GLY   9           H        GLY   9   9.122  -8.247  -2.567
  190    HA2  GLY   9           HA2      GLY   9   8.556  -7.632   0.001
  191    HA3  GLY   9           HA1      GLY   9   9.143  -6.109  -0.635
  192    H    TYR  10           H        TYR  10   6.136  -5.754  -2.671
  193    HA   TYR  10           HA       TYR  10   7.364  -4.491  -0.475
  194    HB2  TYR  10           HB2      TYR  10   9.059  -4.900  -2.738
  195    HB3  TYR  10           HB1      TYR  10   8.539  -3.248  -2.833
  196    HD1  TYR  10           HD1      TYR  10   8.365  -2.561   0.147
  197    HD2  TYR  10           HD2      TYR  10  11.296  -4.706  -2.163
  198    HE1  TYR  10           HE1      TYR  10  10.074  -1.944   1.788
  199    HE2  TYR  10           HE2      TYR  10  13.034  -4.048  -0.552
  200    HH   TYR  10           HH       TYR  10  13.496  -2.914   1.426
  201    H    GLU  11           H        GLU  11   6.670  -2.440  -0.244
  202    HA   GLU  11           HA       GLU  11   5.378  -0.975  -2.425
  203    HB2  GLU  11           HB2      GLU  11   3.613  -2.143  -1.025
  204    HB3  GLU  11           HB1      GLU  11   4.235  -1.269   0.377
  205    HG2  GLU  11           HG2      GLU  11   3.835   0.867  -1.140
  206    HG3  GLU  11           HG1      GLU  11   2.833  -0.202  -2.103
  207    H    VAL  12           H        VAL  12   7.790  -0.524  -2.082
  208    HA   VAL  12           HA       VAL  12   9.213   0.193   0.041
  209    HB   VAL  12           HB       VAL  12   9.338   1.235  -2.800
  210   HG11  VAL  12          HG11      VAL  12  10.622   2.832  -1.447
  211   HG12  VAL  12          HG12      VAL  12  11.476   1.492  -0.643
  212   HG13  VAL  12          HG13      VAL  12  11.711   1.813  -2.370
  213   HG21  VAL  12          HG21      VAL  12  11.074  -0.824  -1.371
  214   HG22  VAL  12          HG22      VAL  12   9.697  -1.231  -2.412
  215   HG23  VAL  12          HG23      VAL  12  11.090  -0.407  -3.099
  216    H    HIS  13           H        HIS  13   7.141   2.516  -1.762
  217    HA   HIS  13           HA       HIS  13   8.359   4.763  -0.519
  218    HB2  HIS  13           HB2      HIS  13   5.777   4.548  -2.100
  219    HB3  HIS  13           HB1      HIS  13   6.571   6.060  -1.646
  220    HD1  HIS  13           HD1      HIS  13   6.151   5.079  -4.697
  221    HD2  HIS  13           HD2      HIS  13   9.635   4.791  -2.380
  222    HE1  HIS  13           HE1      HIS  13   8.098   4.900  -6.325
  223    H    HIS  14           H        HIS  14   6.201   2.596   0.921
  224    HA   HIS  14           HA       HIS  14   6.711   4.257   3.132
  225    HB2  HIS  14           HB2      HIS  14   4.740   4.757   4.129
  226    HB3  HIS  14           HB1      HIS  14   4.450   5.168   2.460
  227    HD1  HIS  14           HD1      HIS  14   2.610   3.795   5.117
  228    HD2  HIS  14           HD2      HIS  14   3.271   2.682   1.128
  229    HE1  HIS  14           HE1      HIS  14   0.621   2.361   4.430
  230    H    GLN  15           H        GLN  15   7.470   1.680   2.046
  231    HA   GLN  15           HA       GLN  15   7.308   0.162   4.582
  232    HB2  GLN  15           HB2      GLN  15   7.454  -0.859   1.723
  233    HB3  GLN  15           HB1      GLN  15   7.938  -1.827   3.094
  234    HG2  GLN  15           HG2      GLN  15   5.676  -1.570   4.109
  235    HG3  GLN  15           HG1      GLN  15   5.140  -0.749   2.636
  236   HE21  GLN  15          HE22      GLN  15   3.868  -3.129   3.410
  237   HE22  GLN  15          HE21      GLN  15   4.308  -4.394   2.282
  238    H    LYS  16           H        LYS  16   9.435  -1.395   4.451
  239    HA   LYS  16           HA       LYS  16  11.837  -0.087   3.498
  240    HB2  LYS  16           HB2      LYS  16  12.676   0.467   5.778
  241    HB3  LYS  16           HB1      LYS  16  11.333   1.467   5.256
  242    HG2  LYS  16           HG2      LYS  16   9.780   0.050   6.654
  243    HG3  LYS  16           HG1      LYS  16  11.195  -0.864   7.225
  244    HD2  LYS  16           HD2      LYS  16  12.177   1.228   8.116
  245    HD3  LYS  16           HD1      LYS  16  10.786   2.139   7.474
  246    HE2  LYS  16           HE2      LYS  16   9.282   0.731   8.905
  247    HE3  LYS  16           HE1      LYS  16  10.734   0.039   9.666
  248    HZ1  LYS  16           HZ1      LYS  16  11.356   2.245  10.326
  249    HZ2  LYS  16           HZ2      LYS  16  10.058   2.895   9.559
  250    HZ3  LYS  16           HZ3      LYS  16   9.833   1.932  10.870
  251    HN1  NH2  17           H2       NH2  17  13.824  -1.176   4.638
  252    HN2  NH2  17           H1       NH2  17  13.664  -2.906   4.841
  Start of MODEL   10
    1    H1   ACE   0           H1       ACE   0 -17.405  -6.603  -0.706
    2    H2   ACE   0           H2       ACE   0 -16.241  -7.591   0.190
    3    H3   ACE   0           H3       ACE   0 -17.916  -7.454   0.764
    4    H    ASP   1           H        ASP   1 -15.219  -5.294  -0.173
    5    HA   ASP   1           HA       ASP   1 -15.050  -4.153   2.509
    6    HB2  ASP   1           HB2      ASP   1 -13.350  -4.116  -0.024
    7    HB3  ASP   1           HB1      ASP   1 -12.962  -3.113   1.365
    8    H    ALA   2           H        ALA   2 -16.805  -3.261  -0.083
    9    HA   ALA   2           HA       ALA   2 -16.632  -0.832  -0.999
   10    HB1  ALA   2           HB1      ALA   2 -19.097  -1.910   0.415
   11    HB2  ALA   2           HB2      ALA   2 -19.091  -0.662  -0.838
   12    HB3  ALA   2           HB3      ALA   2 -18.576  -2.323  -1.231
   13    H    GLU   3           H        GLU   3 -17.822  -1.216   2.376
   14    HA   GLU   3           HA       GLU   3 -18.348   1.512   2.851
   15    HB2  GLU   3           HB2      GLU   3 -18.577   0.841   5.145
   16    HB3  GLU   3           HB1      GLU   3 -19.232  -0.417   4.094
   17    HG2  GLU   3           HG2      GLU   3 -16.804  -1.468   4.310
   18    HG3  GLU   3           HG1      GLU   3 -16.693  -0.414   5.737
   19    H    PHE   4           H        PHE   4 -15.266  -0.132   2.837
   20    HA   PHE   4           HA       PHE   4 -13.922   2.215   4.051
   21    HB2  PHE   4           HB2      PHE   4 -12.852  -0.529   3.333
   22    HB3  PHE   4           HB1      PHE   4 -11.964   0.755   4.156
   23    HD1  PHE   4           HD2      PHE   4 -13.132   1.757   6.300
   24    HD2  PHE   4           HD1      PHE   4 -14.012  -2.108   4.643
   25    HE1  PHE   4           HE2      PHE   4 -14.007   1.025   8.504
   26    HE2  PHE   4           HE1      PHE   4 -14.924  -2.831   6.839
   27    HZ   PHE   4           HZ       PHE   4 -14.919  -1.281   8.771
   28    H    ARG   5           H        ARG   5 -14.693   0.970   0.949
   29    HA   ARG   5           HA       ARG   5 -12.376   1.905  -0.475
   30    HB2  ARG   5           HB2      ARG   5 -15.178   1.286  -1.442
   31    HB3  ARG   5           HB1      ARG   5 -13.764   1.506  -2.464
   32    HG2  ARG   5           HG2      ARG   5 -14.243  -0.721  -0.465
   33    HG3  ARG   5           HG1      ARG   5 -14.202  -0.841  -2.206
   34    HD2  ARG   5           HD2      ARG   5 -11.864  -0.312  -0.348
   35    HD3  ARG   5           HD1      ARG   5 -12.160  -1.773  -1.285
   36    HE   ARG   5           HE       ARG   5 -10.877   0.638  -2.146
   37   HH11  ARG   5          1HH1      ARG   5 -12.984  -1.895  -3.449
   38   HH12  ARG   5          1HH2      ARG   5 -12.481  -1.602  -5.099
   39   HH21  ARG   5          2HH2      ARG   5 -10.162   0.880  -4.263
   40   HH22  ARG   5          2HH1      ARG   5 -10.888  -0.057  -5.550
   41    H    ARG   6           H        ARG   6 -13.633   3.867   1.387
   42    HA   ARG   6           HA       ARG   6 -14.948   5.886  -0.141
   43    HB2  ARG   6           HB2      ARG   6 -13.717   5.987   2.633
   44    HB3  ARG   6           HB1      ARG   6 -14.928   7.101   1.996
   45    HG2  ARG   6           HG2      ARG   6 -15.303   4.158   2.621
   46    HG3  ARG   6           HG1      ARG   6 -15.893   5.525   3.566
   47    HD2  ARG   6           HD2      ARG   6 -17.814   4.996   2.462
   48    HD3  ARG   6           HD1      ARG   6 -17.124   6.162   1.330
   49    HE   ARG   6           HE       ARG   6 -16.899   3.185   1.066
   50   HH11  ARG   6          2HH2      ARG   6 -17.518   6.327  -0.521
   51   HH12  ARG   6          2HH1      ARG   6 -17.961   5.561  -2.028
   52   HH21  ARG   6          1HH2      ARG   6 -17.462   2.291  -0.904
   53   HH22  ARG   6          1HH1      ARG   6 -17.953   3.306  -2.238
   54    H    ASP   7           H        ASP   7 -14.144   8.194  -0.027
   55    HA   ASP   7           HA       ASP   7 -11.504   8.621  -1.010
   56    HB2  ASP   7           HB2      ASP   7 -13.512  10.017  -1.455
   57    HB3  ASP   7           HB1      ASP   7 -13.544  10.510   0.246
   58    H    SER   8           H        SER   8 -12.731   8.232   2.205
   59    HA   SER   8           HA       SER   8 -11.537  10.051   3.770
   60    HB2  SER   8           HB2      SER   8 -11.952   7.144   4.524
   61    HB3  SER   8           HB1      SER   8 -12.070   8.564   5.585
   62    HG   SER   8           HG       SER   8 -14.099   7.770   4.881
   63    H    GLY   9           H        GLY   9  -9.772   7.229   2.456
   64    HA2  GLY   9           HA2      GLY   9  -7.477   7.802   4.300
   65    HA3  GLY   9           HA1      GLY   9  -7.995   6.186   3.816
   66    H    TYR  10           H        TYR  10  -6.474   6.443   0.589
   67    HA   TYR  10           HA       TYR  10  -6.453   4.864   3.002
   68    HB2  TYR  10           HB2      TYR  10  -8.897   5.224   1.506
   69    HB3  TYR  10           HB1      TYR  10  -8.278   3.660   1.078
   70    HD1  TYR  10           HD1      TYR  10  -7.109   2.620   3.609
   71    HD2  TYR  10           HD2      TYR  10 -10.683   4.919   2.899
   72    HE1  TYR  10           HE1      TYR  10  -8.127   1.626   5.600
   73    HE2  TYR  10           HE2      TYR  10 -11.724   3.910   4.901
   74    HH   TYR  10           HH       TYR  10  -9.990   1.520   6.943
   75    H    GLU  11           H        GLU  11  -5.639   2.822   2.649
   76    HA   GLU  11           HA       GLU  11  -5.447   1.795  -0.081
   77    HB2  GLU  11           HB2      GLU  11  -3.235   2.809   0.604
   78    HB3  GLU  11           HB1      GLU  11  -3.188   1.627   1.918
   79    HG2  GLU  11           HG2      GLU  11  -3.528  -0.139  -0.018
   80    HG3  GLU  11           HG1      GLU  11  -3.069   1.200  -1.090
   81    H    VAL  12           H        VAL  12  -7.390   0.776   0.714
   82    HA   VAL  12           HA       VAL  12  -7.858  -0.169   3.237
   83    HB   VAL  12           HB       VAL  12  -9.141  -0.885   0.585
   84   HG11  VAL  12          HG11      VAL  12 -11.136  -1.609   1.931
   85   HG12  VAL  12          HG12      VAL  12  -9.775  -2.710   2.104
   86   HG13  VAL  12          HG13      VAL  12 -10.136  -1.547   3.400
   87   HG21  VAL  12          HG21      VAL  12  -9.983   0.934   2.872
   88   HG22  VAL  12          HG22      VAL  12  -9.290   1.475   1.327
   89   HG23  VAL  12          HG23      VAL  12 -10.856   0.662   1.347
   90    H    HIS  13           H        HIS  13  -6.262  -1.939   0.595
   91    HA   HIS  13           HA       HIS  13  -6.779  -4.468   1.663
   92    HB2  HIS  13           HB2      HIS  13  -6.253  -4.035  -0.684
   93    HB3  HIS  13           HB1      HIS  13  -4.593  -3.649  -0.248
   94    HD1  HIS  13           HD1      HIS  13  -3.022  -5.710  -0.558
   95    HD2  HIS  13           HD2      HIS  13  -7.024  -6.702   0.222
   96    HE1  HIS  13           HE1      HIS  13  -3.175  -8.253  -0.671
   97    H    HIS  14           H        HIS  14  -4.591  -2.155   3.013
   98    HA   HIS  14           HA       HIS  14  -3.080  -4.297   4.423
   99    HB2  HIS  14           HB2      HIS  14  -3.122  -1.290   4.717
  100    HB3  HIS  14           HB1      HIS  14  -2.193  -2.375   5.755
  101    HD1  HIS  14           HD1      HIS  14  -0.711  -4.261   3.842
  102    HD2  HIS  14           HD2      HIS  14  -1.482  -0.203   3.093
  103    HE1  HIS  14           HE1      HIS  14   1.017  -3.495   2.122
  104    H    GLN  15           H        GLN  15  -5.927  -2.210   4.914
  105    HA   GLN  15           HA       GLN  15  -6.108  -2.908   7.730
  106    HB2  GLN  15           HB2      GLN  15  -7.799  -1.314   5.777
  107    HB3  GLN  15           HB1      GLN  15  -8.401  -1.727   7.376
  108    HG2  GLN  15           HG2      GLN  15  -5.816  -0.206   6.827
  109    HG3  GLN  15           HG1      GLN  15  -7.337   0.520   7.328
  110   HE21  GLN  15          HE21      GLN  15  -8.167   0.085   9.512
  111   HE22  GLN  15          HE22      GLN  15  -7.067  -0.432  10.771
  112    H    LYS  16           H        LYS  16  -7.428  -4.128   4.689
  113    HA   LYS  16           HA       LYS  16  -8.637  -6.393   6.185
  114    HB2  LYS  16           HB2      LYS  16  -9.983  -4.610   4.106
  115    HB3  LYS  16           HB1      LYS  16 -10.546  -6.217   4.526
  116    HG2  LYS  16           HG2      LYS  16 -10.574  -5.391   7.002
  117    HG3  LYS  16           HG1      LYS  16 -10.351  -3.779   6.320
  118    HD2  LYS  16           HD2      LYS  16 -12.623  -3.874   6.627
  119    HD3  LYS  16           HD1      LYS  16 -12.495  -4.284   4.925
  120    HE2  LYS  16           HE2      LYS  16 -12.791  -6.251   7.259
  121    HE3  LYS  16           HE1      LYS  16 -14.112  -5.680   6.241
  122    HZ1  LYS  16           HZ1      LYS  16 -12.987  -6.667   4.360
  123    HZ2  LYS  16           HZ2      LYS  16 -11.863  -7.309   5.363
  124    HZ3  LYS  16           HZ3      LYS  16 -13.440  -7.766   5.492
  125    HN1  NH2  17           H2       NH2  17  -7.788  -8.609   3.590
  126    HN2  NH2  17           H1       NH2  17  -8.656  -8.364   5.088
  127    H1   ACE   0           H1       ACE   0  10.557   5.456  -3.268
  128    H2   ACE   0           H2       ACE   0  11.584   5.575  -1.824
  129    H3   ACE   0           H3       ACE   0  11.238   7.032  -2.777
  130    H    ASP   1           H        ASP   1  13.862   5.933  -2.107
  131    HA   ASP   1           HA       ASP   1  15.179   6.374  -4.545
  132    HB2  ASP   1           HB2      ASP   1  15.856   6.704  -2.062
  133    HB3  ASP   1           HB1      ASP   1  16.401   5.026  -2.139
  134    H    ALA   2           H        ALA   2  16.566   4.998  -5.762
  135    HA   ALA   2           HA       ALA   2  15.284   2.746  -6.768
  136    HB1  ALA   2           HB1      ALA   2  18.195   3.602  -7.042
  137    HB2  ALA   2           HB2      ALA   2  17.352   2.448  -8.090
  138    HB3  ALA   2           HB3      ALA   2  16.830   4.141  -8.042
  139    H    GLU   3           H        GLU   3  18.019   2.903  -4.490
  140    HA   GLU   3           HA       GLU   3  18.589   0.167  -4.192
  141    HB2  GLU   3           HB2      GLU   3  19.682   0.921  -2.110
  142    HB3  GLU   3           HB1      GLU   3  20.031   1.950  -3.493
  143    HG2  GLU   3           HG2      GLU   3  18.160   3.512  -2.645
  144    HG3  GLU   3           HG1      GLU   3  18.171   2.548  -1.162
  145    H    PHE   4           H        PHE   4  15.775   1.869  -3.052
  146    HA   PHE   4           HA       PHE   4  15.078  -0.458  -1.329
  147    HB2  PHE   4           HB2      PHE   4  13.619   2.181  -1.621
  148    HB3  PHE   4           HB1      PHE   4  13.312   0.912  -0.430
  149    HD1  PHE   4           HD1      PHE   4  15.671   0.165   0.807
  150    HD2  PHE   4           HD2      PHE   4  14.708   4.032  -0.791
  151    HE1  PHE   4           HE1      PHE   4  17.378   1.200   2.293
  152    HE2  PHE   4           HE2      PHE   4  16.411   5.083   0.697
  153    HZ   PHE   4           HZ       PHE   4  17.744   3.660   2.248
  154    H    ARG   5           H        ARG   5  14.331   1.136  -4.380
  155    HA   ARG   5           HA       ARG   5  11.891  -0.346  -4.851
  156    HB2  ARG   5           HB2      ARG   5  13.734   1.182  -6.717
  157    HB3  ARG   5           HB1      ARG   5  12.180   0.512  -7.186
  158    HG2  ARG   5           HG2      ARG   5  12.683   2.800  -5.288
  159    HG3  ARG   5           HG1      ARG   5  11.868   2.844  -6.841
  160    HD2  ARG   5           HD2      ARG   5  10.850   1.488  -4.326
  161    HD3  ARG   5           HD1      ARG   5  10.304   3.034  -4.934
  162    HE   ARG   5           HE       ARG   5   9.816   0.338  -6.089
  163   HH11  ARG   5          2HH1      ARG   5   9.060   3.801  -6.322
  164   HH12  ARG   5          2HH2      ARG   5   7.482   3.502  -7.011
  165   HH21  ARG   5          1HH1      ARG   5   7.758   0.017  -6.930
  166   HH22  ARG   5          1HH2      ARG   5   6.754   1.390  -7.334
  167    H    ARG   6           H        ARG   6  13.611  -2.116  -3.909
  168    HA   ARG   6           HA       ARG   6  14.902  -3.719  -5.959
  169    HB2  ARG   6           HB2      ARG   6  14.557  -4.035  -2.948
  170    HB3  ARG   6           HB1      ARG   6  15.591  -5.042  -3.959
  171    HG2  ARG   6           HG2      ARG   6  15.935  -2.082  -3.452
  172    HG3  ARG   6           HG1      ARG   6  16.844  -3.381  -2.680
  173    HD2  ARG   6           HD2      ARG   6  18.342  -2.701  -4.275
  174    HD3  ARG   6           HD1      ARG   6  17.538  -4.025  -5.122
  175    HE   ARG   6           HE       ARG   6  16.622  -1.204  -5.437
  176   HH11  ARG   6          2HH1      ARG   6  18.198  -3.967  -7.049
  177   HH12  ARG   6          2HH2      ARG   6  17.998  -3.251  -8.632
  178   HH21  ARG   6          1HH1      ARG   6  16.350  -0.397  -7.515
  179   HH22  ARG   6          1HH2      ARG   6  16.990  -1.274  -8.885
  180    H    ASP   7           H        ASP   7  14.435  -6.036  -6.031
  181    HA   ASP   7           HA       ASP   7  11.646  -6.598  -6.277
  182    HB2  ASP   7           HB2      ASP   7  13.485  -7.498  -7.730
  183    HB3  ASP   7           HB1      ASP   7  14.031  -8.489  -6.366
  184    H    SER   8           H        SER   8  13.958  -7.145  -3.646
  185    HA   SER   8           HA       SER   8  12.861  -9.232  -2.254
  186    HB2  SER   8           HB2      SER   8  14.172  -6.663  -1.289
  187    HB3  SER   8           HB1      SER   8  13.885  -8.068  -0.249
  188    HG   SER   8           HG       SER   8  15.173  -9.308  -1.557
  189    H    GLY   9           H        GLY   9  11.187  -6.216  -2.697
  190    HA2  GLY   9           HA2      GLY   9   9.211  -7.025  -0.626
  191    HA3  GLY   9           HA1      GLY   9   9.718  -5.348  -0.825
  192    H    TYR  10           H        TYR  10   7.646  -4.938  -3.712
  193    HA   TYR  10           HA       TYR  10   7.944  -4.168  -0.928
  194    HB2  TYR  10           HB2      TYR  10   9.985  -3.642  -2.857
  195    HB3  TYR  10           HB1      TYR  10   9.096  -2.164  -2.726
  196    HD1  TYR  10           HD1      TYR  10   8.414  -2.024   0.210
  197    HD2  TYR  10           HD2      TYR  10  11.972  -3.402  -1.789
  198    HE1  TYR  10           HE1      TYR  10   9.731  -1.372   2.157
  199    HE2  TYR  10           HE2      TYR  10  13.327  -2.682   0.146
  200    HH   TYR  10           HH       TYR  10  13.290  -1.673   2.250
  201    H    GLU  11           H        GLU  11   6.958  -2.143  -0.501
  202    HA   GLU  11           HA       GLU  11   5.726  -0.642  -2.685
  203    HB2  GLU  11           HB2      GLU  11   4.034  -2.195  -1.647
  204    HB3  GLU  11           HB1      GLU  11   4.357  -1.396  -0.105
  205    HG2  GLU  11           HG2      GLU  11   3.751   0.787  -1.594
  206    HG3  GLU  11           HG1      GLU  11   2.886  -0.425  -2.545
  207    H    VAL  12           H        VAL  12   7.942   0.173  -2.063
  208    HA   VAL  12           HA       VAL  12   9.010   0.968   0.271
  209    HB   VAL  12           HB       VAL  12   9.297   2.107  -2.518
  210   HG11  VAL  12          HG11      VAL  12  11.060   2.730  -0.104
  211   HG12  VAL  12          HG12      VAL  12  11.461   3.089  -1.800
  212   HG13  VAL  12          HG13      VAL  12  10.101   3.903  -1.041
  213   HG21  VAL  12          HG21      VAL  12  10.041  -0.207  -2.190
  214   HG22  VAL  12          HG22      VAL  12  11.421   0.870  -2.375
  215   HG23  VAL  12          HG23      VAL  12  10.993   0.272  -0.761
  216    H    HIS  13           H        HIS  13   6.624   2.924  -1.587
  217    HA   HIS  13           HA       HIS  13   7.449   5.314  -0.411
  218    HB2  HIS  13           HB2      HIS  13   5.836   6.347  -1.572
  219    HB3  HIS  13           HB1      HIS  13   5.948   4.873  -2.510
  220    HD1  HIS  13           HD1      HIS  13   3.671   6.673  -0.001
  221    HD2  HIS  13           HD2      HIS  13   3.697   3.304  -2.506
  222    HE1  HIS  13           HE1      HIS  13   1.283   5.795  -0.050
  223    H    HIS  14           H        HIS  14   5.658   2.814   1.138
  224    HA   HIS  14           HA       HIS  14   5.786   4.492   3.477
  225    HB2  HIS  14           HB2      HIS  14   3.605   4.630   4.155
  226    HB3  HIS  14           HB1      HIS  14   3.444   4.921   2.429
  227    HD1  HIS  14           HD1      HIS  14   2.323   2.608   5.135
  228    HD2  HIS  14           HD2      HIS  14   2.594   2.662   0.956
  229    HE1  HIS  14           HE1      HIS  14   0.841   0.713   4.307
  230    H    GLN  15           H        GLN  15   5.931   1.369   2.071
  231    HA   GLN  15           HA       GLN  15   5.904   0.056   4.706
  232    HB2  GLN  15           HB2      GLN  15   6.421  -1.115   1.970
  233    HB3  GLN  15           HB1      GLN  15   6.217  -1.986   3.486
  234    HG2  GLN  15           HG2      GLN  15   4.013  -0.366   2.172
  235    HG3  GLN  15           HG1      GLN  15   4.237  -2.105   2.032
  236   HE21  GLN  15          HE22      GLN  15   3.270  -3.420   3.544
  237   HE22  GLN  15          HE21      GLN  15   2.550  -2.851   5.032
  238    H    LYS  16           H        LYS  16   7.751  -1.308   5.273
  239    HA   LYS  16           HA       LYS  16  10.339   0.021   4.663
  240    HB2  LYS  16           HB2      LYS  16   9.026  -0.492   7.363
  241    HB3  LYS  16           HB1      LYS  16  10.682   0.083   7.132
  242    HG2  LYS  16           HG2      LYS  16   9.707   2.025   5.791
  243    HG3  LYS  16           HG1      LYS  16   8.125   1.548   6.413
  244    HD2  LYS  16           HD2      LYS  16  10.568   2.300   8.063
  245    HD3  LYS  16           HD1      LYS  16   9.210   3.362   7.736
  246    HE2  LYS  16           HE2      LYS  16   8.922   0.712   9.224
  247    HE3  LYS  16           HE1      LYS  16   9.240   2.264  10.015
  248    HZ1  LYS  16           HZ1      LYS  16   6.890   1.619   8.415
  249    HZ2  LYS  16           HZ2      LYS  16   6.954   1.887  10.036
  250    HZ3  LYS  16           HZ3      LYS  16   7.245   3.115   8.985
  251    HN1  NH2  17           H2       NH2  17  12.090  -1.222   6.290
  252    HN2  NH2  17           H1       NH2  17  12.142  -2.932   5.920
  Start of MODEL   11
    1    H1   ACE   0           H1       ACE   0 -10.580  -5.187  -2.235
    2    H2   ACE   0           H2       ACE   0 -10.570  -3.572  -2.974
    3    H3   ACE   0           H3       ACE   0 -10.563  -3.740  -1.202
    4    H    ASP   1           H        ASP   1 -12.473  -2.152  -1.712
    5    HA   ASP   1           HA       ASP   1 -14.935  -3.324  -2.693
    6    HB2  ASP   1           HB2      ASP   1 -14.571  -4.111  -0.180
    7    HB3  ASP   1           HB1      ASP   1 -15.025  -2.445   0.192
    8    H    ALA   2           H        ALA   2 -16.536  -1.737  -3.003
    9    HA   ALA   2           HA       ALA   2 -15.741   0.895  -3.476
   10    HB1  ALA   2           HB1      ALA   2 -18.208   1.336  -3.658
   11    HB2  ALA   2           HB2      ALA   2 -17.713  -0.116  -4.548
   12    HB3  ALA   2           HB3      ALA   2 -18.518  -0.272  -2.973
   13    H    GLU   3           H        GLU   3 -17.441  -0.534  -0.657
   14    HA   GLU   3           HA       GLU   3 -17.870   1.961   0.635
   15    HB2  GLU   3           HB2      GLU   3 -18.695   0.697   2.455
   16    HB3  GLU   3           HB1      GLU   3 -19.187  -0.151   0.992
   17    HG2  GLU   3           HG2      GLU   3 -17.393  -1.771   1.258
   18    HG3  GLU   3           HG1      GLU   3 -16.721  -0.915   2.637
   19    H    PHE   4           H        PHE   4 -14.964   0.202   0.354
   20    HA   PHE   4           HA       PHE   4 -13.804   1.712   2.648
   21    HB2  PHE   4           HB2      PHE   4 -12.590  -0.522   1.007
   22    HB3  PHE   4           HB1      PHE   4 -11.914   0.217   2.462
   23    HD1  PHE   4           HD2      PHE   4 -14.170   0.324   4.344
   24    HD2  PHE   4           HD1      PHE   4 -13.113  -2.734   1.502
   25    HE1  PHE   4           HE2      PHE   4 -15.435  -1.344   5.663
   26    HE2  PHE   4           HE1      PHE   4 -14.416  -4.393   2.801
   27    HZ   PHE   4           HZ       PHE   4 -15.573  -3.707   4.899
   28    H    ARG   5           H        ARG   5 -13.913   1.493  -0.848
   29    HA   ARG   5           HA       ARG   5 -11.756   3.415  -1.254
   30    HB2  ARG   5           HB2      ARG   5 -13.859   2.125  -3.016
   31    HB3  ARG   5           HB1      ARG   5 -12.808   3.402  -3.609
   32    HG2  ARG   5           HG2      ARG   5 -11.893   0.694  -2.576
   33    HG3  ARG   5           HG1      ARG   5 -11.932   1.249  -4.246
   34    HD2  ARG   5           HD2      ARG   5 -10.103   2.198  -2.017
   35    HD3  ARG   5           HD1      ARG   5  -9.673   1.371  -3.513
   36    HE   ARG   5           HE       ARG   5 -10.948   4.051  -3.614
   37   HH11  ARG   5          1HH1      ARG   5  -7.989   2.133  -4.131
   38   HH12  ARG   5          1HH2      ARG   5  -7.227   3.401  -5.058
   39   HH21  ARG   5          2HH1      ARG   5  -9.915   5.630  -4.821
   40   HH22  ARG   5          2HH2      ARG   5  -8.305   5.357  -5.449
   41    H    ARG   6           H        ARG   6 -13.414   4.278   0.724
   42    HA   ARG   6           HA       ARG   6 -15.056   6.514  -0.185
   43    HB2  ARG   6           HB2      ARG   6 -14.066   5.563   2.536
   44    HB3  ARG   6           HB1      ARG   6 -15.192   6.886   2.308
   45    HG2  ARG   6           HG2      ARG   6 -15.661   4.000   1.603
   46    HG3  ARG   6           HG1      ARG   6 -16.338   4.861   2.996
   47    HD2  ARG   6           HD2      ARG   6 -18.145   5.017   1.650
   48    HD3  ARG   6           HD1      ARG   6 -17.280   6.439   1.040
   49    HE   ARG   6           HE       ARG   6 -16.788   3.803  -0.230
   50   HH11  ARG   6          2HH1      ARG   6 -18.491   6.923  -0.551
   51   HH12  ARG   6          2HH2      ARG   6 -18.703   6.728  -2.274
   52   HH21  ARG   6          1HH2      ARG   6 -17.049   3.658  -2.450
   53   HH22  ARG   6          1HH1      ARG   6 -17.916   4.898  -3.323
   54    H    ASP   7           H        ASP   7 -14.447   8.681   1.030
   55    HA   ASP   7           HA       ASP   7 -11.718   9.502   0.510
   56    HB2  ASP   7           HB2      ASP   7 -13.936  10.761   2.175
   57    HB3  ASP   7           HB1      ASP   7 -12.416  11.552   1.737
   58    H    SER   8           H        SER   8 -13.150   7.743   3.020
   59    HA   SER   8           HA       SER   8 -12.287   8.804   5.348
   60    HB2  SER   8           HB2      SER   8 -12.747   5.879   4.649
   61    HB3  SER   8           HB1      SER   8 -12.818   6.580   6.278
   62    HG   SER   8           HG       SER   8 -14.877   6.419   5.312
   63    H    GLY   9           H        GLY   9  -9.973   7.410   3.154
   64    HA2  GLY   9           HA2      GLY   9  -7.970   7.360   5.295
   65    HA3  GLY   9           HA1      GLY   9  -8.244   5.859   4.428
   66    H    TYR  10           H        TYR  10  -6.399   7.108   1.568
   67    HA   TYR  10           HA       TYR  10  -6.598   4.928   3.451
   68    HB2  TYR  10           HB2      TYR  10  -8.693   5.504   1.511
   69    HB3  TYR  10           HB1      TYR  10  -7.840   4.081   1.014
   70    HD1  TYR  10           HD1      TYR  10  -7.184   2.590   3.406
   71    HD2  TYR  10           HD2      TYR  10 -10.667   4.979   2.563
   72    HE1  TYR  10           HE1      TYR  10  -8.508   1.197   4.946
   73    HE2  TYR  10           HE2      TYR  10 -12.009   3.543   4.058
   74    HH   TYR  10           HH       TYR  10 -10.572   0.746   5.813
   75    H    GLU  11           H        GLU  11  -5.466   3.202   2.898
   76    HA   GLU  11           HA       GLU  11  -4.832   2.792   0.079
   77    HB2  GLU  11           HB2      GLU  11  -2.666   3.329   1.245
   78    HB3  GLU  11           HB1      GLU  11  -2.976   2.007   2.370
   79    HG2  GLU  11           HG2      GLU  11  -3.226   0.551   0.200
   80    HG3  GLU  11           HG1      GLU  11  -2.404   1.888  -0.605
   81    H    VAL  12           H        VAL  12  -6.869   1.715   0.100
   82    HA   VAL  12           HA       VAL  12  -7.844  -0.048   2.033
   83    HB   VAL  12           HB       VAL  12  -8.479   0.308  -0.912
   84   HG11  VAL  12          HG11      VAL  12  -9.342  -1.930  -0.353
   85   HG12  VAL  12          HG12      VAL  12 -10.107  -1.294   1.118
   86   HG13  VAL  12          HG13      VAL  12 -10.670  -0.790  -0.483
   87   HG21  VAL  12          HG21      VAL  12 -10.453   1.450   0.008
   88   HG22  VAL  12          HG22      VAL  12  -9.860   1.166   1.664
   89   HG23  VAL  12          HG23      VAL  12  -8.967   2.222   0.542
   90    H    HIS  13           H        HIS  13  -5.295  -0.670  -0.229
   91    HA   HIS  13           HA       HIS  13  -5.625  -3.467  -0.453
   92    HB2  HIS  13           HB2      HIS  13  -4.119  -2.544  -1.943
   93    HB3  HIS  13           HB1      HIS  13  -3.389  -1.490  -0.742
   94    HD1  HIS  13           HD1      HIS  13  -1.178  -2.185   0.237
   95    HD2  HIS  13           HD2      HIS  13  -3.207  -5.281  -1.725
   96    HE1  HIS  13           HE1      HIS  13   0.464  -4.100   0.057
   97    H    HIS  14           H        HIS  14  -4.815  -1.569   2.387
   98    HA   HIS  14           HA       HIS  14  -3.919  -4.009   3.829
   99    HB2  HIS  14           HB2      HIS  14  -4.219  -1.107   4.663
  100    HB3  HIS  14           HB1      HIS  14  -3.815  -2.419   5.782
  101    HD1  HIS  14           HD1      HIS  14  -1.536  -3.902   4.915
  102    HD2  HIS  14           HD2      HIS  14  -2.264  -0.093   3.323
  103    HE1  HIS  14           HE1      HIS  14   0.613  -3.181   3.758
  104    H    GLN  15           H        GLN  15  -6.853  -2.023   3.351
  105    HA   GLN  15           HA       GLN  15  -8.233  -3.086   5.599
  106    HB2  GLN  15           HB2      GLN  15  -8.864  -0.991   4.574
  107    HB3  GLN  15           HB1      GLN  15  -9.099  -1.775   3.029
  108    HG2  GLN  15           HG2      GLN  15 -11.209  -1.260   4.036
  109    HG3  GLN  15           HG1      GLN  15 -11.035  -3.004   3.866
  110   HE21  GLN  15          HE21      GLN  15 -12.968  -2.663   5.472
  111   HE22  GLN  15          HE22      GLN  15 -12.535  -2.628   7.170
  112    H    LYS  16           H        LYS  16  -8.177  -3.883   2.121
  113    HA   LYS  16           HA       LYS  16  -9.027  -6.649   2.537
  114    HB2  LYS  16           HB2      LYS  16 -11.157  -5.384   2.682
  115    HB3  LYS  16           HB1      LYS  16 -10.783  -4.564   1.160
  116    HG2  LYS  16           HG2      LYS  16 -10.805  -6.726  -0.016
  117    HG3  LYS  16           HG1      LYS  16 -11.171  -7.568   1.512
  118    HD2  LYS  16           HD2      LYS  16 -13.340  -6.432   1.605
  119    HD3  LYS  16           HD1      LYS  16 -12.877  -5.411   0.240
  120    HE2  LYS  16           HE2      LYS  16 -12.577  -7.563  -1.113
  121    HE3  LYS  16           HE1      LYS  16 -13.362  -8.415   0.229
  122    HZ1  LYS  16           HZ1      LYS  16 -14.926  -7.807  -1.459
  123    HZ2  LYS  16           HZ2      LYS  16 -15.255  -6.958  -0.091
  124    HZ3  LYS  16           HZ3      LYS  16 -14.504  -6.218  -1.354
  125    HN1  NH2  17           H2       NH2  17  -7.666  -7.296  -0.667
  126    HN2  NH2  17           H1       NH2  17  -8.441  -7.934   0.765
  127    H1   ACE   0           H1       ACE   0   8.110   4.955  -6.691
  128    H2   ACE   0           H2       ACE   0   8.063   6.581  -7.408
  129    H3   ACE   0           H3       ACE   0   6.643   5.531  -7.536
  130    H    ASP   1           H        ASP   1  10.099   5.723  -8.403
  131    HA   ASP   1           HA       ASP   1   9.412   4.850 -11.123
  132    HB2  ASP   1           HB2      ASP   1  10.605   7.058 -10.388
  133    HB3  ASP   1           HB1      ASP   1  12.049   6.032 -10.248
  134    H    ALA   2           H        ALA   2  10.798   3.486 -12.307
  135    HA   ALA   2           HA       ALA   2  10.704   0.999 -11.505
  136    HB1  ALA   2           HB1      ALA   2  12.410   0.460 -13.265
  137    HB2  ALA   2           HB2      ALA   2  11.131   1.577 -13.791
  138    HB3  ALA   2           HB3      ALA   2  12.756   2.186 -13.398
  139    H    GLU   3           H        GLU   3  13.904   2.629 -11.377
  140    HA   GLU   3           HA       GLU   3  15.388   0.502 -10.567
  141    HB2  GLU   3           HB2      GLU   3  17.076   2.105  -9.860
  142    HB3  GLU   3           HB1      GLU   3  16.296   2.600 -11.359
  143    HG2  GLU   3           HG2      GLU   3  14.741   4.071  -9.862
  144    HG3  GLU   3           HG1      GLU   3  15.901   3.741  -8.563
  145    H    PHE   4           H        PHE   4  13.559   2.631  -8.358
  146    HA   PHE   4           HA       PHE   4  14.470   1.015  -6.041
  147    HB2  PHE   4           HB2      PHE   4  13.977   2.888  -4.702
  148    HB3  PHE   4           HB1      PHE   4  14.934   3.458  -6.059
  149    HD1  PHE   4           HD1      PHE   4  11.546   3.354  -4.559
  150    HD2  PHE   4           HD2      PHE   4  13.965   4.970  -7.711
  151    HE1  PHE   4           HE1      PHE   4   9.855   5.144  -4.926
  152    HE2  PHE   4           HE2      PHE   4  12.295   6.802  -8.049
  153    HZ   PHE   4           HZ       PHE   4  10.276   6.907  -6.620
  154    H    ARG   5           H        ARG   5  11.755   1.501  -8.099
  155    HA   ARG   5           HA       ARG   5   9.759   0.655  -6.176
  156    HB2  ARG   5           HB2      ARG   5   9.212   2.220  -7.963
  157    HB3  ARG   5           HB1      ARG   5   9.687   1.047  -9.188
  158    HG2  ARG   5           HG2      ARG   5   7.221   1.206  -8.863
  159    HG3  ARG   5           HG1      ARG   5   7.863  -0.410  -8.620
  160    HD2  ARG   5           HD2      ARG   5   6.212   0.005  -6.905
  161    HD3  ARG   5           HD1      ARG   5   7.781  -0.087  -6.144
  162    HE   ARG   5           HE       ARG   5   7.696   2.182  -5.629
  163   HH11  ARG   5          2HH2      ARG   5   4.969   1.376  -7.777
  164   HH12  ARG   5          2HH1      ARG   5   4.104   2.840  -7.381
  165   HH21  ARG   5          1HH1      ARG   5   6.487   4.024  -5.119
  166   HH22  ARG   5          1HH2      ARG   5   4.940   4.306  -5.882
  167    H    ARG   6           H        ARG   6  11.363  -1.051  -5.578
  168    HA   ARG   6           HA       ARG   6  11.733  -3.267  -7.430
  169    HB2  ARG   6           HB2      ARG   6  12.942  -2.449  -4.770
  170    HB3  ARG   6           HB1      ARG   6  13.382  -3.949  -5.595
  171    HG2  ARG   6           HG2      ARG   6  13.747  -1.135  -6.678
  172    HG3  ARG   6           HG1      ARG   6  15.002  -2.131  -5.968
  173    HD2  ARG   6           HD2      ARG   6  15.428  -2.461  -8.192
  174    HD3  ARG   6           HD1      ARG   6  14.436  -3.860  -7.828
  175    HE   ARG   6           HE       ARG   6  13.468  -1.344  -9.133
  176   HH11  ARG   6          2HH1      ARG   6  13.298  -4.907  -8.971
  177   HH12  ARG   6          2HH2      ARG   6  12.186  -4.998 -10.317
  178   HH21  ARG   6          1HH1      ARG   6  12.034  -1.541 -10.839
  179   HH22  ARG   6          1HH2      ARG   6  11.484  -3.113 -11.371
  180    H    ASP   7           H        ASP   7  11.365  -5.367  -6.957
  181    HA   ASP   7           HA       ASP   7   9.089  -5.998  -5.220
  182    HB2  ASP   7           HB2      ASP   7  10.850  -7.637  -7.100
  183    HB3  ASP   7           HB1      ASP   7   9.468  -8.282  -6.208
  184    H    SER   8           H        SER   8  12.526  -5.901  -4.950
  185    HA   SER   8           HA       SER   8  13.170  -8.176  -3.592
  186    HB2  SER   8           HB2      SER   8  14.320  -5.372  -3.328
  187    HB3  SER   8           HB1      SER   8  15.117  -6.846  -2.744
  188    HG   SER   8           HG       SER   8  15.872  -6.463  -4.780
  189    H    GLY   9           H        GLY   9  11.052  -5.819  -2.326
  190    HA2  GLY   9           HA2      GLY   9  11.290  -6.866   0.447
  191    HA3  GLY   9           HA1      GLY   9  10.669  -5.258   0.022
  192    H    TYR  10           H        TYR  10   7.496  -6.600  -1.129
  193    HA   TYR  10           HA       TYR  10   8.649  -4.386   0.238
  194    HB2  TYR  10           HB2      TYR  10   9.359  -4.843  -2.537
  195    HB3  TYR  10           HB1      TYR  10   8.241  -3.525  -2.504
  196    HD1  TYR  10           HD2      TYR  10   8.871  -2.100  -0.004
  197    HD2  TYR  10           HD1      TYR  10  11.511  -3.966  -2.840
  198    HE1  TYR  10           HE2      TYR  10  10.679  -0.617   0.733
  199    HE2  TYR  10           HE1      TYR  10  13.328  -2.479  -2.120
  200    HH   TYR  10           HH       TYR  10  12.915  -0.105   0.522
  201    H    GLU  11           H        GLU  11   7.245  -2.554   0.191
  202    HA   GLU  11           HA       GLU  11   5.138  -2.485  -1.749
  203    HB2  GLU  11           HB2      GLU  11   4.113  -3.516   0.388
  204    HB3  GLU  11           HB1      GLU  11   4.365  -1.933   1.124
  205    HG2  GLU  11           HG2      GLU  11   3.197  -1.248  -1.307
  206    HG3  GLU  11           HG1      GLU  11   2.450  -2.815  -1.006
  207    H    VAL  12           H        VAL  12   6.757  -1.022  -2.499
  208    HA   VAL  12           HA       VAL  12   8.297   0.682  -1.091
  209    HB   VAL  12           HB       VAL  12   7.444   0.672  -3.969
  210   HG11  VAL  12          HG11      VAL  12   9.704   2.318  -2.746
  211   HG12  VAL  12          HG12      VAL  12   9.525   1.986  -4.481
  212   HG13  VAL  12          HG13      VAL  12   8.299   2.923  -3.656
  213   HG21  VAL  12          HG21      VAL  12   8.701  -1.289  -3.122
  214   HG22  VAL  12          HG22      VAL  12   9.634  -0.388  -4.305
  215   HG23  VAL  12          HG23      VAL  12  10.007  -0.205  -2.582
  216    H    HIS  13           H        HIS  13   4.951   1.429  -1.872
  217    HA   HIS  13           HA       HIS  13   5.218   4.244  -1.759
  218    HB2  HIS  13           HB2      HIS  13   2.869   2.386  -1.272
  219    HB3  HIS  13           HB1      HIS  13   2.725   4.123  -1.063
  220    HD1  HIS  13           HD1      HIS  13   1.604   2.029  -3.545
  221    HD2  HIS  13           HD2      HIS  13   4.112   5.393  -3.496
  222    HE1  HIS  13           HE1      HIS  13   1.487   3.052  -5.869
  223    H    HIS  14           H        HIS  14   5.643   1.960   0.793
  224    HA   HIS  14           HA       HIS  14   4.932   3.902   2.898
  225    HB2  HIS  14           HB2      HIS  14   6.001   1.067   2.991
  226    HB3  HIS  14           HB1      HIS  14   5.834   2.079   4.422
  227    HD1  HIS  14           HD1      HIS  14   3.350   2.574   5.307
  228    HD2  HIS  14           HD2      HIS  14   3.702   0.372   1.781
  229    HE1  HIS  14           HE1      HIS  14   1.010   1.707   4.775
  230    H    GLN  15           H        GLN  15   7.726   3.509   0.897
  231    HA   GLN  15           HA       GLN  15   9.339   4.762   3.034
  232    HB2  GLN  15           HB2      GLN  15  11.317   4.210   1.848
  233    HB3  GLN  15           HB1      GLN  15  10.378   2.791   2.245
  234    HG2  GLN  15           HG2      GLN  15   9.655   2.541  -0.071
  235    HG3  GLN  15           HG1      GLN  15  10.480   4.051  -0.507
  236   HE21  GLN  15          HE22      GLN  15  11.902   3.014  -2.017
  237   HE22  GLN  15          HE21      GLN  15  13.179   1.944  -1.481
  238    H    LYS  16           H        LYS  16  10.701   6.447   2.509
  239    HA   LYS  16           HA       LYS  16  11.320   8.436   1.788
  240    HB2  LYS  16           HB2      LYS  16  10.917   7.414  -0.616
  241    HB3  LYS  16           HB1      LYS  16   9.501   8.466  -0.620
  242    HG2  LYS  16           HG2      LYS  16  11.092   9.931  -1.496
  243    HG3  LYS  16           HG1      LYS  16  11.228  10.315   0.213
  244    HD2  LYS  16           HD2      LYS  16  13.459  10.074  -0.586
  245    HD3  LYS  16           HD1      LYS  16  13.124   8.568   0.301
  246    HE2  LYS  16           HE2      LYS  16  12.500   7.476  -1.861
  247    HE3  LYS  16           HE1      LYS  16  12.885   8.969  -2.713
  248    HZ1  LYS  16           HZ1      LYS  16  15.135   8.756  -1.927
  249    HZ2  LYS  16           HZ2      LYS  16  14.761   7.353  -1.154
  250    HZ3  LYS  16           HZ3      LYS  16  14.682   7.432  -2.798
  251    HN1  NH2  17           H2       NH2  17   7.755   7.990   1.193
  252    HN2  NH2  17           H1       NH2  17   7.302   9.439   2.068
  Start of MODEL   12
    1    H1   ACE   0           H1       ACE   0  -9.913  -6.066  -2.024
    2    H2   ACE   0           H2       ACE   0  -9.509  -4.342  -2.217
    3    H3   ACE   0           H3       ACE   0 -10.095  -4.956  -0.651
    4    H    ASP   1           H        ASP   1 -12.256  -5.715  -0.494
    5    HA   ASP   1           HA       ASP   1 -14.124  -5.888  -2.556
    6    HB2  ASP   1           HB2      ASP   1 -13.913  -6.858  -0.150
    7    HB3  ASP   1           HB1      ASP   1 -14.842  -5.450   0.352
    8    H    ALA   2           H        ALA   2 -16.196  -4.763  -2.743
    9    HA   ALA   2           HA       ALA   2 -16.117  -2.132  -3.490
   10    HB1  ALA   2           HB1      ALA   2 -18.463  -3.779  -2.447
   11    HB2  ALA   2           HB2      ALA   2 -18.606  -2.276  -3.371
   12    HB3  ALA   2           HB3      ALA   2 -17.873  -3.705  -4.120
   13    H    GLU   3           H        GLU   3 -17.317  -3.331  -0.304
   14    HA   GLU   3           HA       GLU   3 -18.021  -0.833   0.805
   15    HB2  GLU   3           HB2      GLU   3 -18.080  -2.057   2.910
   16    HB3  GLU   3           HB1      GLU   3 -18.751  -3.062   1.622
   17    HG2  GLU   3           HG2      GLU   3 -16.488  -4.180   1.393
   18    HG3  GLU   3           HG1      GLU   3 -15.932  -3.244   2.785
   19    H    PHE   4           H        PHE   4 -14.846  -2.065   0.275
   20    HA   PHE   4           HA       PHE   4 -13.658  -0.072   2.142
   21    HB2  PHE   4           HB2      PHE   4 -12.318  -2.403   0.740
   22    HB3  PHE   4           HB1      PHE   4 -11.632  -1.382   1.999
   23    HD1  PHE   4           HD1      PHE   4 -13.659  -1.232   4.076
   24    HD2  PHE   4           HD2      PHE   4 -12.670  -4.536   1.529
   25    HE1  PHE   4           HE1      PHE   4 -14.451  -2.794   5.821
   26    HE2  PHE   4           HE2      PHE   4 -13.471  -6.116   3.273
   27    HZ   PHE   4           HZ       PHE   4 -14.345  -5.242   5.432
   28    H    ARG   5           H        ARG   5 -14.200  -0.844  -1.220
   29    HA   ARG   5           HA       ARG   5 -12.325   1.188  -2.155
   30    HB2  ARG   5           HB2      ARG   5 -14.556  -0.380  -3.486
   31    HB3  ARG   5           HB1      ARG   5 -13.563   0.803  -4.325
   32    HG2  ARG   5           HG2      ARG   5 -12.853  -1.939  -3.382
   33    HG3  ARG   5           HG1      ARG   5 -12.586  -1.195  -4.944
   34    HD2  ARG   5           HD2      ARG   5 -11.007  -0.824  -2.383
   35    HD3  ARG   5           HD1      ARG   5 -10.430  -1.472  -3.912
   36    HE   ARG   5           HE       ARG   5 -11.386   1.216  -4.225
   37   HH11  ARG   5          1HH1      ARG   5  -8.537  -0.570  -3.097
   38   HH12  ARG   5          1HH2      ARG   5  -7.583   0.882  -2.914
   39   HH21  ARG   5          2HH2      ARG   5 -10.138   3.060  -3.917
   40   HH22  ARG   5          2HH1      ARG   5  -8.476   2.930  -3.389
   41    H    ARG   6           H        ARG   6 -13.669   2.170  -0.102
   42    HA   ARG   6           HA       ARG   6 -15.725   4.041  -1.001
   43    HB2  ARG   6           HB2      ARG   6 -14.195   3.848   1.621
   44    HB3  ARG   6           HB1      ARG   6 -15.652   4.794   1.333
   45    HG2  ARG   6           HG2      ARG   6 -15.425   1.773   1.292
   46    HG3  ARG   6           HG1      ARG   6 -16.079   2.742   2.602
   47    HD2  ARG   6           HD2      ARG   6 -18.010   2.039   1.613
   48    HD3  ARG   6           HD1      ARG   6 -17.778   3.616   0.842
   49    HE   ARG   6           HE       ARG   6 -16.750   1.146  -0.477
   50   HH11  ARG   6          2HH1      ARG   6 -19.244   3.675  -0.472
   51   HH12  ARG   6          2HH2      ARG   6 -19.751   3.315  -2.106
   52   HH21  ARG   6          1HH2      ARG   6 -17.457   0.732  -2.593
   53   HH22  ARG   6          1HH1      ARG   6 -18.760   1.666  -3.286
   54    H    ASP   7           H        ASP   7 -15.320   6.324  -0.790
   55    HA   ASP   7           HA       ASP   7 -12.696   7.353  -1.457
   56    HB2  ASP   7           HB2      ASP   7 -14.874   8.335  -2.173
   57    HB3  ASP   7           HB1      ASP   7 -15.266   8.682  -0.482
   58    H    SER   8           H        SER   8 -14.332   6.487   1.484
   59    HA   SER   8           HA       SER   8 -13.385   8.560   3.130
   60    HB2  SER   8           HB2      SER   8 -14.677   5.899   3.850
   61    HB3  SER   8           HB1      SER   8 -14.591   7.334   4.891
   62    HG   SER   8           HG       SER   8 -15.827   8.448   3.355
   63    H    GLY   9           H        GLY   9 -11.047   6.822   2.002
   64    HA2  GLY   9           HA2      GLY   9  -9.659   6.592   4.597
   65    HA3  GLY   9           HA1      GLY   9  -9.688   5.191   3.541
   66    H    TYR  10           H        TYR  10  -7.113   6.637   1.480
   67    HA   TYR  10           HA       TYR  10  -7.546   4.456   3.288
   68    HB2  TYR  10           HB2      TYR  10  -9.212   4.740   0.915
   69    HB3  TYR  10           HB1      TYR  10  -8.073   3.466   0.615
   70    HD1  TYR  10           HD1      TYR  10  -7.706   2.029   3.076
   71    HD2  TYR  10           HD2      TYR  10 -11.260   3.904   1.527
   72    HE1  TYR  10           HE1      TYR  10  -9.065   0.438   4.349
   73    HE2  TYR  10           HE2      TYR  10 -12.650   2.298   2.800
   74    HH   TYR  10           HH       TYR  10 -11.200  -0.310   4.781
   75    H    GLU  11           H        GLU  11  -6.009   2.915   3.088
   76    HA   GLU  11           HA       GLU  11  -5.140   2.475   0.373
   77    HB2  GLU  11           HB2      GLU  11  -3.147   3.410   1.710
   78    HB3  GLU  11           HB1      GLU  11  -3.212   1.892   2.610
   79    HG2  GLU  11           HG2      GLU  11  -3.224   0.795   0.202
   80    HG3  GLU  11           HG1      GLU  11  -2.650   2.376  -0.341
   81    H    VAL  12           H        VAL  12  -6.685   0.945   0.130
   82    HA   VAL  12           HA       VAL  12  -7.729  -0.796   2.069
   83    HB   VAL  12           HB       VAL  12  -7.787  -0.832  -0.952
   84   HG11  VAL  12          HG11      VAL  12  -9.885  -2.211  -0.724
   85   HG12  VAL  12          HG12      VAL  12  -8.416  -3.083  -0.301
   86   HG13  VAL  12          HG13      VAL  12  -9.479  -2.465   0.986
   87   HG21  VAL  12          HG21      VAL  12 -10.013   0.129  -0.669
   88   HG22  VAL  12          HG22      VAL  12  -9.818   0.082   1.103
   89   HG23  VAL  12          HG23      VAL  12  -8.813   1.155   0.105
   90    H    HIS  13           H        HIS  13  -4.825  -1.027   0.182
   91    HA   HIS  13           HA       HIS  13  -4.504  -3.827   0.161
   92    HB2  HIS  13           HB2      HIS  13  -3.144  -2.552  -1.263
   93    HB3  HIS  13           HB1      HIS  13  -2.749  -1.385  -0.017
   94    HD1  HIS  13           HD1      HIS  13  -0.595  -1.821   1.412
   95    HD2  HIS  13           HD2      HIS  13  -1.658  -4.849  -1.273
   96    HE1  HIS  13           HE1      HIS  13   1.402  -3.404   1.275
   97    H    HIS  14           H        HIS  14  -4.185  -1.448   2.792
   98    HA   HIS  14           HA       HIS  14  -3.112  -3.548   4.582
   99    HB2  HIS  14           HB2      HIS  14  -3.529  -0.587   5.017
  100    HB3  HIS  14           HB1      HIS  14  -2.905  -1.715   6.231
  101    HD1  HIS  14           HD1      HIS  14  -0.604  -3.176   5.116
  102    HD2  HIS  14           HD2      HIS  14  -1.774   0.540   3.576
  103    HE1  HIS  14           HE1      HIS  14   1.347  -2.327   3.692
  104    H    GLN  15           H        GLN  15  -6.235  -2.211   3.688
  105    HA   GLN  15           HA       GLN  15  -7.664  -3.150   5.981
  106    HB2  GLN  15           HB2      GLN  15  -8.553  -1.774   3.997
  107    HB3  GLN  15           HB1      GLN  15  -8.525  -3.286   3.096
  108    HG2  GLN  15           HG2      GLN  15 -10.715  -3.056   3.857
  109    HG3  GLN  15           HG1      GLN  15  -9.984  -4.337   4.808
  110   HE21  GLN  15          HE21      GLN  15 -10.899  -4.232   6.847
  111   HE22  GLN  15          HE22      GLN  15 -11.107  -2.756   7.765
  112    H    LYS  16           H        LYS  16  -6.293  -4.588   3.055
  113    HA   LYS  16           HA       LYS  16  -7.045  -7.348   3.677
  114    HB2  LYS  16           HB2      LYS  16  -5.350  -6.006   1.538
  115    HB3  LYS  16           HB1      LYS  16  -5.606  -7.752   1.630
  116    HG2  LYS  16           HG2      LYS  16  -8.015  -7.476   1.342
  117    HG3  LYS  16           HG1      LYS  16  -7.861  -5.716   1.380
  118    HD2  LYS  16           HD2      LYS  16  -8.057  -6.449  -0.918
  119    HD3  LYS  16           HD1      LYS  16  -6.480  -5.726  -0.621
  120    HE2  LYS  16           HE2      LYS  16  -6.307  -7.673  -2.084
  121    HE3  LYS  16           HE1      LYS  16  -5.459  -7.965  -0.555
  122    HZ1  LYS  16           HZ1      LYS  16  -7.327  -9.222   0.182
  123    HZ2  LYS  16           HZ2      LYS  16  -8.150  -8.926  -1.207
  124    HZ3  LYS  16           HZ3      LYS  16  -6.775  -9.835  -1.243
  125    HN1  NH2  17           H2       NH2  17  -3.399  -6.485   5.235
  126    HN2  NH2  17           H1       NH2  17  -4.561  -5.247   4.818
  127    H1   ACE   0           H1       ACE   0  19.005   6.984  -9.585
  128    H2   ACE   0           H2       ACE   0  18.467   5.328  -9.938
  129    H3   ACE   0           H3       ACE   0  17.301   6.542  -9.376
  130    H    ASP   1           H        ASP   1  16.956   4.630  -7.804
  131    HA   ASP   1           HA       ASP   1  18.605   4.982  -5.360
  132    HB2  ASP   1           HB2      ASP   1  15.810   3.913  -5.896
  133    HB3  ASP   1           HB1      ASP   1  16.657   3.690  -4.360
  134    H    ALA   2           H        ALA   2  20.014   3.498  -4.834
  135    HA   ALA   2           HA       ALA   2  20.085   0.938  -6.283
  136    HB1  ALA   2           HB1      ALA   2  22.076   2.331  -6.329
  137    HB2  ALA   2           HB2      ALA   2  22.155   2.362  -4.563
  138    HB3  ALA   2           HB3      ALA   2  22.393   0.835  -5.437
  139    H    GLU   3           H        GLU   3  21.399   1.343  -3.053
  140    HA   GLU   3           HA       GLU   3  21.301  -1.221  -2.588
  141    HB2  GLU   3           HB2      GLU   3  21.845  -0.824  -0.305
  142    HB3  GLU   3           HB1      GLU   3  22.493   0.501  -1.259
  143    HG2  GLU   3           HG2      GLU   3  20.385   1.819  -0.605
  144    HG3  GLU   3           HG1      GLU   3  20.043   0.518   0.548
  145    H    PHE   4           H        PHE   4  18.591   0.844  -1.424
  146    HA   PHE   4           HA       PHE   4  17.361  -1.483  -0.162
  147    HB2  PHE   4           HB2      PHE   4  15.924   0.061   0.895
  148    HB3  PHE   4           HB1      PHE   4  17.528   0.782   0.927
  149    HD1  PHE   4           HD2      PHE   4  18.074   2.592  -0.773
  150    HD2  PHE   4           HD1      PHE   4  14.121   0.968  -0.413
  151    HE1  PHE   4           HE2      PHE   4  17.165   4.567  -1.972
  152    HE2  PHE   4           HE1      PHE   4  13.213   2.888  -1.711
  153    HZ   PHE   4           HZ       PHE   4  14.723   4.721  -2.440
  154    H    ARG   5           H        ARG   5  16.958   0.386  -3.143
  155    HA   ARG   5           HA       ARG   5  14.169  -0.316  -3.444
  156    HB2  ARG   5           HB2      ARG   5  15.074   1.864  -4.034
  157    HB3  ARG   5           HB1      ARG   5  16.148   1.140  -5.222
  158    HG2  ARG   5           HG2      ARG   5  14.065   2.290  -6.081
  159    HG3  ARG   5           HG1      ARG   5  14.378   0.676  -6.702
  160    HD2  ARG   5           HD2      ARG   5  12.559   1.008  -4.304
  161    HD3  ARG   5           HD1      ARG   5  11.947   1.432  -5.894
  162    HE   ARG   5           HE       ARG   5  12.510  -1.246  -4.886
  163   HH11  ARG   5          2HH1      ARG   5  11.981   0.682  -7.832
  164   HH12  ARG   5          2HH2      ARG   5  11.543  -0.716  -8.786
  165   HH21  ARG   5          1HH1      ARG   5  11.936  -3.024  -6.179
  166   HH22  ARG   5          1HH2      ARG   5  11.502  -2.784  -7.856
  167    H    ARG   6           H        ARG   6  15.027  -2.562  -3.054
  168    HA   ARG   6           HA       ARG   6  16.170  -4.052  -5.232
  169    HB2  ARG   6           HB2      ARG   6  15.107  -4.754  -2.480
  170    HB3  ARG   6           HB1      ARG   6  15.946  -5.897  -3.541
  171    HG2  ARG   6           HG2      ARG   6  17.105  -3.398  -2.260
  172    HG3  ARG   6           HG1      ARG   6  17.412  -5.062  -1.795
  173    HD2  ARG   6           HD2      ARG   6  19.317  -4.552  -2.944
  174    HD3  ARG   6           HD1      ARG   6  18.379  -5.393  -4.170
  175    HE   ARG   6           HE       ARG   6  18.613  -2.404  -3.917
  176   HH11  ARG   6          2HH1      ARG   6  18.542  -5.257  -6.074
  177   HH12  ARG   6          2HH2      ARG   6  18.639  -4.264  -7.510
  178   HH21  ARG   6          1HH2      ARG   6  18.691  -1.221  -5.824
  179   HH22  ARG   6          1HH1      ARG   6  18.715  -2.032  -7.371
  180    H    ASP   7           H        ASP   7  15.181  -6.003  -5.996
  181    HA   ASP   7           HA       ASP   7  12.656  -5.476  -7.178
  182    HB2  ASP   7           HB2      ASP   7  14.501  -6.612  -8.295
  183    HB3  ASP   7           HB1      ASP   7  14.496  -7.907  -7.088
  184    H    SER   8           H        SER   8  13.641  -7.723  -4.545
  185    HA   SER   8           HA       SER   8  10.989  -8.889  -4.378
  186    HB2  SER   8           HB2      SER   8  13.486  -9.263  -2.693
  187    HB3  SER   8           HB1      SER   8  11.970 -10.173  -2.501
  188    HG   SER   8           HG       SER   8  12.266 -10.719  -4.787
  189    H    GLY   9           H        GLY   9   9.432  -8.429  -2.932
  190    HA2  GLY   9           HA2      GLY   9   9.332  -7.555  -0.427
  191    HA3  GLY   9           HA1      GLY   9   9.620  -6.048  -1.287
  192    H    TYR  10           H        TYR  10   6.203  -6.083  -2.484
  193    HA   TYR  10           HA       TYR  10   7.758  -4.659  -0.583
  194    HB2  TYR  10           HB2      TYR  10   8.899  -4.864  -3.172
  195    HB3  TYR  10           HB1      TYR  10   8.077  -3.346  -3.193
  196    HD1  TYR  10           HD1      TYR  10   8.533  -2.445  -0.267
  197    HD2  TYR  10           HD2      TYR  10  11.124  -4.280  -3.165
  198    HE1  TYR  10           HE1      TYR  10  10.435  -1.410   0.831
  199    HE2  TYR  10           HE2      TYR  10  13.081  -3.250  -2.048
  200    HH   TYR  10           HH       TYR  10  13.793  -1.873  -0.304
  201    H    GLU  11           H        GLU  11   6.900  -2.648  -0.164
  202    HA   GLU  11           HA       GLU  11   5.175  -1.416  -2.142
  203    HB2  GLU  11           HB2      GLU  11   3.704  -2.544  -0.382
  204    HB3  GLU  11           HB1      GLU  11   4.382  -1.398   0.783
  205    HG2  GLU  11           HG2      GLU  11   3.745   0.386  -1.112
  206    HG3  GLU  11           HG1      GLU  11   2.671  -0.900  -1.669
  207    H    VAL  12           H        VAL  12   7.415  -0.659  -2.367
  208    HA   VAL  12           HA       VAL  12   9.241   0.412  -0.784
  209    HB   VAL  12           HB       VAL  12   8.343   1.264  -3.553
  210   HG11  VAL  12          HG11      VAL  12  10.918   2.070  -2.139
  211   HG12  VAL  12          HG12      VAL  12  10.608   2.243  -3.883
  212   HG13  VAL  12          HG13      VAL  12   9.637   3.152  -2.735
  213   HG21  VAL  12          HG21      VAL  12  10.773  -0.363  -2.689
  214   HG22  VAL  12          HG22      VAL  12   9.233  -1.087  -3.188
  215   HG23  VAL  12          HG23      VAL  12  10.138  -0.113  -4.336
  216    H    HIS  13           H        HIS  13   6.373   2.240  -1.918
  217    HA   HIS  13           HA       HIS  13   7.536   4.718  -1.127
  218    HB2  HIS  13           HB2      HIS  13   4.832   4.019  -2.293
  219    HB3  HIS  13           HB1      HIS  13   5.390   5.670  -2.000
  220    HD1  HIS  13           HD1      HIS  13   5.591   3.157  -4.693
  221    HD2  HIS  13           HD2      HIS  13   8.057   6.119  -3.023
  222    HE1  HIS  13           HE1      HIS  13   7.478   3.565  -6.362
  223    H    HIS  14           H        HIS  14   6.244   2.524   0.929
  224    HA   HIS  14           HA       HIS  14   6.892   4.529   2.771
  225    HB2  HIS  14           HB2      HIS  14   5.102   4.631   4.315
  226    HB3  HIS  14           HB1      HIS  14   4.520   5.138   2.748
  227    HD1  HIS  14           HD1      HIS  14   3.777   2.709   5.460
  228    HD2  HIS  14           HD2      HIS  14   2.961   3.237   1.372
  229    HE1  HIS  14           HE1      HIS  14   1.787   1.210   4.913
  230    H    GLN  15           H        GLN  15   6.859   1.281   1.865
  231    HA   GLN  15           HA       GLN  15   7.776   0.355   4.494
  232    HB2  GLN  15           HB2      GLN  15   7.965  -0.919   1.751
  233    HB3  GLN  15           HB1      GLN  15   8.544  -1.634   3.254
  234    HG2  GLN  15           HG2      GLN  15   6.283  -1.556   4.204
  235    HG3  GLN  15           HG1      GLN  15   5.635  -0.927   2.690
  236   HE21  GLN  15          HE22      GLN  15   4.675  -3.296   3.859
  237   HE22  GLN  15          HE21      GLN  15   5.151  -4.652   2.859
  238    H    LYS  16           H        LYS  16   9.856   0.152   5.046
  239    HA   LYS  16           HA       LYS  16  11.744   2.055   4.159
  240    HB2  LYS  16           HB2      LYS  16  11.896  -0.422   5.934
  241    HB3  LYS  16           HB1      LYS  16  13.218   0.724   5.750
  242    HG2  LYS  16           HG2      LYS  16  11.940   2.531   6.653
  243    HG3  LYS  16           HG1      LYS  16  10.452   1.582   6.687
  244    HD2  LYS  16           HD2      LYS  16  11.446   1.807   8.913
  245    HD3  LYS  16           HD1      LYS  16  11.400   0.107   8.408
  246    HE2  LYS  16           HE2      LYS  16  13.756   0.157   7.822
  247    HE3  LYS  16           HE1      LYS  16  13.834   1.906   8.089
  248    HZ1  LYS  16           HZ1      LYS  16  14.710   0.648   9.934
  249    HZ2  LYS  16           HZ2      LYS  16  13.394   1.530  10.387
  250    HZ3  LYS  16           HZ3      LYS  16  13.252  -0.092  10.160
  251    HN1  NH2  17           H2       NH2  17  12.697  -1.459   2.188
  252    HN2  NH2  17           H1       NH2  17  11.392  -1.431   3.358
  Start of MODEL   13
    1    H1   ACE   0           H1       ACE   0 -12.382  -3.884  -6.283
    2    H2   ACE   0           H2       ACE   0 -12.892  -5.557  -6.614
    3    H3   ACE   0           H3       ACE   0 -13.861  -4.197  -7.214
    4    H    ASP   1           H        ASP   1 -14.616  -2.627  -5.401
    5    HA   ASP   1           HA       ASP   1 -16.055  -4.207  -3.441
    6    HB2  ASP   1           HB2      ASP   1 -13.611  -3.601  -2.534
    7    HB3  ASP   1           HB1      ASP   1 -14.363  -2.022  -2.252
    8    H    ALA   2           H        ALA   2 -17.941  -3.225  -2.926
    9    HA   ALA   2           HA       ALA   2 -18.751  -0.742  -4.183
   10    HB1  ALA   2           HB1      ALA   2 -20.826  -1.130  -2.892
   11    HB2  ALA   2           HB2      ALA   2 -20.321  -2.609  -3.740
   12    HB3  ALA   2           HB3      ALA   2 -20.038  -2.425  -1.988
   13    H    GLU   3           H        GLU   3 -17.159  -1.501  -1.191
   14    HA   GLU   3           HA       GLU   3 -18.576   0.658   0.253
   15    HB2  GLU   3           HB2      GLU   3 -19.413  -1.733   0.333
   16    HB3  GLU   3           HB1      GLU   3 -17.869  -2.215   1.029
   17    HG2  GLU   3           HG2      GLU   3 -19.518  -1.976   2.741
   18    HG3  GLU   3           HG1      GLU   3 -18.264  -0.748   2.965
   19    H    PHE   4           H        PHE   4 -15.642  -1.388   0.197
   20    HA   PHE   4           HA       PHE   4 -14.317   0.328   2.209
   21    HB2  PHE   4           HB2      PHE   4 -13.728  -2.388   1.001
   22    HB3  PHE   4           HB1      PHE   4 -12.518  -1.504   1.920
   23    HD1  PHE   4           HD2      PHE   4 -15.897  -3.007   2.134
   24    HD2  PHE   4           HD1      PHE   4 -12.693  -1.120   4.256
   25    HE1  PHE   4           HE2      PHE   4 -16.951  -3.675   4.288
   26    HE2  PHE   4           HE1      PHE   4 -13.722  -1.788   6.428
   27    HZ   PHE   4           HZ       PHE   4 -15.841  -3.086   6.444
   28    H    ARG   5           H        ARG   5 -14.213  -0.278  -1.259
   29    HA   ARG   5           HA       ARG   5 -11.652   1.090  -1.590
   30    HB2  ARG   5           HB2      ARG   5 -13.730  -0.017  -3.475
   31    HB3  ARG   5           HB1      ARG   5 -12.373   0.940  -4.053
   32    HG2  ARG   5           HG2      ARG   5 -12.180  -1.714  -2.584
   33    HG3  ARG   5           HG1      ARG   5 -11.875  -1.427  -4.288
   34    HD2  ARG   5           HD2      ARG   5 -10.237  -0.606  -1.894
   35    HD3  ARG   5           HD1      ARG   5  -9.766  -1.644  -3.223
   36    HE   ARG   5           HE       ARG   5 -10.038   1.329  -3.243
   37   HH11  ARG   5          1HH1      ARG   5  -8.843  -1.567  -4.909
   38   HH12  ARG   5          1HH2      ARG   5  -7.839  -0.640  -5.994
   39   HH21  ARG   5          2HH2      ARG   5  -8.696   2.472  -4.667
   40   HH22  ARG   5          2HH1      ARG   5  -7.739   1.611  -5.848
   41    H    ARG   6           H        ARG   6 -12.686   2.720  -0.082
   42    HA   ARG   6           HA       ARG   6 -14.288   4.782  -1.395
   43    HB2  ARG   6           HB2      ARG   6 -13.294   4.398   1.451
   44    HB3  ARG   6           HB1      ARG   6 -14.265   5.777   0.886
   45    HG2  ARG   6           HG2      ARG   6 -15.022   2.848   0.922
   46    HG3  ARG   6           HG1      ARG   6 -15.673   4.133   1.949
   47    HD2  ARG   6           HD2      ARG   6 -16.508   5.249  -0.214
   48    HD3  ARG   6           HD1      ARG   6 -16.132   3.717  -1.032
   49    HE   ARG   6           HE       ARG   6 -17.515   2.663   0.791
   50   HH11  ARG   6          2HH1      ARG   6 -18.347   5.871  -0.530
   51   HH12  ARG   6          2HH2      ARG   6 -20.028   5.718  -0.084
   52   HH21  ARG   6          1HH1      ARG   6 -19.694   2.568   1.388
   53   HH22  ARG   6          1HH2      ARG   6 -20.775   3.877   0.979
   54    H    ASP   7           H        ASP   7 -13.473   6.856  -1.840
   55    HA   ASP   7           HA       ASP   7 -10.632   7.183  -2.073
   56    HB2  ASP   7           HB2      ASP   7 -11.096   9.271  -3.031
   57    HB3  ASP   7           HB1      ASP   7 -12.366   8.183  -3.594
   58    H    SER   8           H        SER   8 -13.048   8.289   0.305
   59    HA   SER   8           HA       SER   8 -11.408  10.209   1.519
   60    HB2  SER   8           HB2      SER   8 -13.890   8.826   2.560
   61    HB3  SER   8           HB1      SER   8 -13.154  10.255   3.301
   62    HG   SER   8           HG       SER   8 -13.889  11.456   1.764
   63    H    GLY   9           H        GLY   9 -10.495   7.105   1.626
   64    HA2  GLY   9           HA2      GLY   9  -9.179   7.484   4.273
   65    HA3  GLY   9           HA1      GLY   9  -9.344   5.932   3.460
   66    H    TYR  10           H        TYR  10  -6.543   6.718   1.333
   67    HA   TYR  10           HA       TYR  10  -7.165   4.935   3.471
   68    HB2  TYR  10           HB2      TYR  10  -9.021   5.055   1.312
   69    HB3  TYR  10           HB1      TYR  10  -7.990   3.718   0.913
   70    HD1  TYR  10           HD1      TYR  10  -7.466   2.566   3.678
   71    HD2  TYR  10           HD2      TYR  10 -11.039   4.177   1.901
   72    HE1  TYR  10           HE1      TYR  10  -8.805   1.210   5.165
   73    HE2  TYR  10           HE2      TYR  10 -12.416   2.712   3.336
   74    HH   TYR  10           HH       TYR  10 -10.880   0.451   5.702
   75    H    GLU  11           H        GLU  11  -5.845   3.057   3.298
   76    HA   GLU  11           HA       GLU  11  -4.919   2.457   0.605
   77    HB2  GLU  11           HB2      GLU  11  -2.921   3.329   1.931
   78    HB3  GLU  11           HB1      GLU  11  -3.110   1.917   2.985
   79    HG2  GLU  11           HG2      GLU  11  -3.170   0.552   0.734
   80    HG3  GLU  11           HG1      GLU  11  -2.525   2.019  -0.001
   81    H    VAL  12           H        VAL  12  -6.770   1.214   0.524
   82    HA   VAL  12           HA       VAL  12  -7.766  -0.465   2.511
   83    HB   VAL  12           HB       VAL  12  -8.138  -0.644  -0.512
   84   HG11  VAL  12          HG11      VAL  12  -9.848  -1.714   1.785
   85   HG12  VAL  12          HG12      VAL  12 -10.426  -1.568   0.115
   86   HG13  VAL  12          HG13      VAL  12  -9.094  -2.652   0.476
   87   HG21  VAL  12          HG21      VAL  12  -9.751   0.850   1.589
   88   HG22  VAL  12          HG22      VAL  12  -8.676   1.607   0.385
   89   HG23  VAL  12          HG23      VAL  12 -10.101   0.754  -0.152
   90    H    HIS  13           H        HIS  13  -5.050  -0.980   0.385
   91    HA   HIS  13           HA       HIS  13  -5.338  -3.747   0.032
   92    HB2  HIS  13           HB2      HIS  13  -2.732  -2.192  -0.034
   93    HB3  HIS  13           HB1      HIS  13  -3.110  -3.696  -0.887
   94    HD1  HIS  13           HD1      HIS  13  -5.617  -3.176  -2.472
   95    HD2  HIS  13           HD2      HIS  13  -2.933  -0.091  -1.524
   96    HE1  HIS  13           HE1      HIS  13  -6.187  -1.227  -4.000
   97    H    HIS  14           H        HIS  14  -4.318  -2.055   2.883
   98    HA   HIS  14           HA       HIS  14  -3.069  -4.485   4.061
   99    HB2  HIS  14           HB2      HIS  14  -3.611  -1.721   5.178
  100    HB3  HIS  14           HB1      HIS  14  -2.884  -3.039   6.077
  101    HD1  HIS  14           HD1      HIS  14  -0.399  -3.880   5.135
  102    HD2  HIS  14           HD2      HIS  14  -2.008  -0.284   3.712
  103    HE1  HIS  14           HE1      HIS  14   1.536  -2.575   4.104
  104    H    GLN  15           H        GLN  15  -6.192  -2.849   3.874
  105    HA   GLN  15           HA       GLN  15  -7.233  -4.140   6.264
  106    HB2  GLN  15           HB2      GLN  15  -8.643  -2.506   4.121
  107    HB3  GLN  15           HB1      GLN  15  -9.278  -2.934   5.695
  108    HG2  GLN  15           HG2      GLN  15  -7.063  -0.989   5.031
  109    HG3  GLN  15           HG1      GLN  15  -8.602  -0.712   5.840
  110   HE21  GLN  15          HE21      GLN  15  -8.623  -0.599   8.043
  111   HE22  GLN  15          HE22      GLN  15  -7.320  -1.136   9.077
  112    H    LYS  16           H        LYS  16  -7.342  -4.611   2.770
  113    HA   LYS  16           HA       LYS  16  -8.114  -7.360   3.095
  114    HB2  LYS  16           HB2      LYS  16 -10.141  -7.299   1.735
  115    HB3  LYS  16           HB1      LYS  16 -10.335  -6.438   3.246
  116    HG2  LYS  16           HG2      LYS  16 -10.144  -4.270   2.113
  117    HG3  LYS  16           HG1      LYS  16  -9.741  -5.064   0.581
  118    HD2  LYS  16           HD2      LYS  16 -12.056  -4.374   0.523
  119    HD3  LYS  16           HD1      LYS  16 -11.984  -6.148   0.564
  120    HE2  LYS  16           HE2      LYS  16 -12.312  -6.041   3.049
  121    HE3  LYS  16           HE1      LYS  16 -12.542  -4.284   2.915
  122    HZ1  LYS  16           HZ1      LYS  16 -14.606  -5.414   2.957
  123    HZ2  LYS  16           HZ2      LYS  16 -14.401  -4.796   1.441
  124    HZ3  LYS  16           HZ3      LYS  16 -14.174  -6.403   1.720
  125    HN1  NH2  17           H2       NH2  17  -6.949  -7.941  -0.191
  126    HN2  NH2  17           H1       NH2  17  -7.891  -8.587   1.137
  127    H1   ACE   0           H1       ACE   0  14.899   8.893  -2.592
  128    H2   ACE   0           H2       ACE   0  13.628   7.687  -2.933
  129    H3   ACE   0           H3       ACE   0  15.217   7.186  -2.309
  130    H    ASP   1           H        ASP   1  14.822   5.749  -4.352
  131    HA   ASP   1           HA       ASP   1  15.477   6.943  -6.911
  132    HB2  ASP   1           HB2      ASP   1  17.663   7.082  -5.760
  133    HB3  ASP   1           HB1      ASP   1  17.578   5.356  -5.388
  134    H    ALA   2           H        ALA   2  15.514   5.514  -8.574
  135    HA   ALA   2           HA       ALA   2  13.670   3.536  -8.852
  136    HB1  ALA   2           HB1      ALA   2  14.960   2.969 -10.897
  137    HB2  ALA   2           HB2      ALA   2  14.853   4.727 -10.663
  138    HB3  ALA   2           HB3      ALA   2  16.354   3.869 -10.257
  139    H    GLU   3           H        GLU   3  17.032   3.046  -7.710
  140    HA   GLU   3           HA       GLU   3  17.236   0.336  -8.342
  141    HB2  GLU   3           HB2      GLU   3  19.175   0.327  -6.902
  142    HB3  GLU   3           HB1      GLU   3  19.115   1.834  -7.829
  143    HG2  GLU   3           HG2      GLU   3  18.191   3.010  -5.852
  144    HG3  GLU   3           HG1      GLU   3  18.185   1.510  -4.936
  145    H    PHE   4           H        PHE   4  15.500   1.709  -5.607
  146    HA   PHE   4           HA       PHE   4  15.082  -1.061  -4.586
  147    HB2  PHE   4           HB2      PHE   4  14.637  -0.177  -2.454
  148    HB3  PHE   4           HB1      PHE   4  16.193   0.406  -3.001
  149    HD1  PHE   4           HD2      PHE   4  12.679   1.360  -2.334
  150    HD2  PHE   4           HD1      PHE   4  16.605   2.746  -3.412
  151    HE1  PHE   4           HE2      PHE   4  12.016   3.677  -1.734
  152    HE2  PHE   4           HE1      PHE   4  15.973   5.052  -2.755
  153    HZ   PHE   4           HZ       PHE   4  13.661   5.517  -1.915
  154    H    ARG   5           H        ARG   5  13.670   1.061  -6.642
  155    HA   ARG   5           HA       ARG   5  10.919   0.679  -5.838
  156    HB2  ARG   5           HB2      ARG   5  11.906   2.675  -7.105
  157    HB3  ARG   5           HB1      ARG   5  12.042   1.625  -8.505
  158    HG2  ARG   5           HG2      ARG   5  10.020   2.972  -8.614
  159    HG3  ARG   5           HG1      ARG   5   9.631   1.255  -8.516
  160    HD2  ARG   5           HD2      ARG   5   8.118   2.615  -7.140
  161    HD3  ARG   5           HD1      ARG   5   9.037   1.497  -6.132
  162    HE   ARG   5           HE       ARG   5  10.609   3.495  -5.797
  163   HH11  ARG   5          2HH1      ARG   5   7.047   3.726  -5.933
  164   HH12  ARG   5          2HH2      ARG   5   7.011   5.096  -4.848
  165   HH21  ARG   5          1HH1      ARG   5  10.482   5.256  -4.428
  166   HH22  ARG   5          1HH2      ARG   5   8.933   5.952  -4.010
  167    H    ARG   6           H        ARG   6  12.015  -1.757  -5.679
  168    HA   ARG   6           HA       ARG   6  12.210  -3.096  -8.280
  169    HB2  ARG   6           HB2      ARG   6  13.296  -3.673  -5.498
  170    HB3  ARG   6           HB1      ARG   6  13.591  -4.712  -6.900
  171    HG2  ARG   6           HG2      ARG   6  14.446  -1.836  -6.605
  172    HG3  ARG   6           HG1      ARG   6  15.465  -3.266  -6.426
  173    HD2  ARG   6           HD2      ARG   6  16.032  -2.882  -8.559
  174    HD3  ARG   6           HD1      ARG   6  14.508  -3.690  -8.934
  175    HE   ARG   6           HE       ARG   6  14.793  -0.723  -8.611
  176   HH11  ARG   6          2HH1      ARG   6  13.617  -3.423 -10.619
  177   HH12  ARG   6          2HH2      ARG   6  12.822  -2.347 -11.746
  178   HH21  ARG   6          1HH1      ARG   6  13.743   0.585 -10.112
  179   HH22  ARG   6          1HH2      ARG   6  12.903  -0.117 -11.471
  180    H    ASP   7           H        ASP   7  11.870  -5.434  -8.291
  181    HA   ASP   7           HA       ASP   7   9.350  -6.420  -7.369
  182    HB2  ASP   7           HB2      ASP   7  10.195  -8.508  -8.253
  183    HB3  ASP   7           HB1      ASP   7  10.707  -7.221  -9.353
  184    H    SER   8           H        SER   8  12.457  -6.117  -5.924
  185    HA   SER   8           HA       SER   8  12.715  -8.390  -4.441
  186    HB2  SER   8           HB2      SER   8  13.930  -5.656  -3.935
  187    HB3  SER   8           HB1      SER   8  14.590  -7.217  -3.393
  188    HG   SER   8           HG       SER   8  15.528  -6.494  -5.354
  189    H    GLY   9           H        GLY   9  10.181  -6.500  -3.706
  190    HA2  GLY   9           HA2      GLY   9  10.131  -7.377  -0.890
  191    HA3  GLY   9           HA1      GLY   9   9.782  -5.700  -1.273
  192    H    TYR  10           H        TYR  10   6.536  -6.493  -2.680
  193    HA   TYR  10           HA       TYR  10   7.876  -4.814  -0.804
  194    HB2  TYR  10           HB2      TYR  10   8.583  -4.636  -3.623
  195    HB3  TYR  10           HB1      TYR  10   7.616  -3.253  -3.223
  196    HD1  TYR  10           HD2      TYR  10   8.402  -2.602  -0.451
  197    HD2  TYR  10           HD1      TYR  10  10.807  -3.999  -3.726
  198    HE1  TYR  10           HE2      TYR  10  10.325  -1.384   0.474
  199    HE2  TYR  10           HE1      TYR  10  12.757  -2.795  -2.811
  200    HH   TYR  10           HH       TYR  10  12.533  -0.834   0.180
  201    H    GLU  11           H        GLU  11   6.621  -3.253  -0.072
  202    HA   GLU  11           HA       GLU  11   5.030  -1.988  -2.136
  203    HB2  GLU  11           HB2      GLU  11   3.395  -2.782  -0.400
  204    HB3  GLU  11           HB1      GLU  11   4.303  -1.871   0.806
  205    HG2  GLU  11           HG2      GLU  11   3.899   0.183  -0.774
  206    HG3  GLU  11           HG1      GLU  11   2.700  -0.841  -1.568
  207    H    VAL  12           H        VAL  12   6.231  -0.209  -2.589
  208    HA   VAL  12           HA       VAL  12   8.448   0.540  -0.894
  209    HB   VAL  12           HB       VAL  12   7.677   1.562  -3.638
  210   HG11  VAL  12          HG11      VAL  12  10.190   2.094  -3.694
  211   HG12  VAL  12          HG12      VAL  12   9.231   3.110  -2.619
  212   HG13  VAL  12          HG13      VAL  12  10.217   1.791  -1.952
  213   HG21  VAL  12          HG21      VAL  12   9.378   0.012  -4.484
  214   HG22  VAL  12          HG22      VAL  12   9.729  -0.551  -2.845
  215   HG23  VAL  12          HG23      VAL  12   8.160  -0.900  -3.605
  216    H    HIS  13           H        HIS  13   5.212   1.640  -1.546
  217    HA   HIS  13           HA       HIS  13   5.607   4.282  -1.917
  218    HB2  HIS  13           HB2      HIS  13   3.144   3.035  -0.634
  219    HB3  HIS  13           HB1      HIS  13   3.185   4.558  -1.516
  220    HD1  HIS  13           HD1      HIS  13   1.347   2.055  -2.368
  221    HD2  HIS  13           HD2      HIS  13   5.050   3.178  -3.991
  222    HE1  HIS  13           HE1      HIS  13   1.427   1.102  -4.729
  223    H    HIS  14           H        HIS  14   5.351   2.758   1.219
  224    HA   HIS  14           HA       HIS  14   6.041   5.307   2.518
  225    HB2  HIS  14           HB2      HIS  14   4.419   5.013   4.286
  226    HB3  HIS  14           HB1      HIS  14   3.609   5.174   2.739
  227    HD1  HIS  14           HD1      HIS  14   3.834   2.849   5.688
  228    HD2  HIS  14           HD2      HIS  14   2.454   2.894   1.737
  229    HE1  HIS  14           HE1      HIS  14   2.227   0.878   5.459
  230    H    GLN  15           H        GLN  15   7.570   2.957   1.727
  231    HA   GLN  15           HA       GLN  15   7.756   1.075   3.763
  232    HB2  GLN  15           HB2      GLN  15   9.579   0.173   2.557
  233    HB3  GLN  15           HB1      GLN  15   8.410   0.791   1.421
  234    HG2  GLN  15           HG2      GLN  15  10.197   1.726   0.398
  235    HG3  GLN  15           HG1      GLN  15  10.066   2.985   1.618
  236   HE21  GLN  15          HE22      GLN  15  11.904   3.275   2.951
  237   HE22  GLN  15          HE21      GLN  15  13.229   2.138   3.040
  238    H    LYS  16           H        LYS  16   9.658   0.492   5.058
  239    HA   LYS  16           HA       LYS  16  11.205   2.814   6.089
  240    HB2  LYS  16           HB2      LYS  16   9.452   0.982   7.776
  241    HB3  LYS  16           HB1      LYS  16  10.677   2.082   8.421
  242    HG2  LYS  16           HG2      LYS  16   9.471   4.000   7.262
  243    HG3  LYS  16           HG1      LYS  16   8.190   2.859   6.834
  244    HD2  LYS  16           HD2      LYS  16   7.482   4.067   8.758
  245    HD3  LYS  16           HD1      LYS  16   7.827   2.404   9.262
  246    HE2  LYS  16           HE2      LYS  16  10.008   3.099  10.155
  247    HE3  LYS  16           HE1      LYS  16   9.758   4.742   9.535
  248    HZ1  LYS  16           HZ1      LYS  16   8.143   3.405  11.591
  249    HZ2  LYS  16           HZ2      LYS  16   9.228   4.618  11.835
  250    HZ3  LYS  16           HZ3      LYS  16   7.854   4.907  10.983
  251    HN1  NH2  17           H2       NH2  17  12.926   1.934   7.759
  252    HN2  NH2  17           H1       NH2  17  13.729   0.471   7.232
  Start of MODEL   14
    1    H1   ACE   0           H1       ACE   0 -16.401  -5.508  -6.287
    2    H2   ACE   0           H2       ACE   0 -15.086  -4.630  -5.469
    3    H3   ACE   0           H3       ACE   0 -15.803  -6.065  -4.713
    4    H    ASP   1           H        ASP   1 -15.964  -4.410  -2.910
    5    HA   ASP   1           HA       ASP   1 -18.678  -3.487  -2.628
    6    HB2  ASP   1           HB2      ASP   1 -16.285  -3.910  -0.898
    7    HB3  ASP   1           HB1      ASP   1 -17.394  -2.656  -0.369
    8    H    ALA   2           H        ALA   2 -18.984  -1.369  -1.382
    9    HA   ALA   2           HA       ALA   2 -17.847   0.860  -2.990
   10    HB1  ALA   2           HB1      ALA   2 -20.150   0.215  -3.625
   11    HB2  ALA   2           HB2      ALA   2 -20.679   0.427  -1.949
   12    HB3  ALA   2           HB3      ALA   2 -20.106   1.825  -2.891
   13    H    GLU   3           H        GLU   3 -19.844   0.619  -0.010
   14    HA   GLU   3           HA       GLU   3 -19.381   3.179   0.679
   15    HB2  GLU   3           HB2      GLU   3 -20.391   2.724   2.788
   16    HB3  GLU   3           HB1      GLU   3 -21.146   1.713   1.551
   17    HG2  GLU   3           HG2      GLU   3 -19.632  -0.176   2.303
   18    HG3  GLU   3           HG1      GLU   3 -19.138   0.842   3.664
   19    H    PHE   4           H        PHE   4 -17.286   0.515   1.789
   20    HA   PHE   4           HA       PHE   4 -15.594   2.473   3.264
   21    HB2  PHE   4           HB2      PHE   4 -14.826   0.644   4.531
   22    HB3  PHE   4           HB1      PHE   4 -16.578   0.491   4.461
   23    HD1  PHE   4           HD1      PHE   4 -17.602  -1.197   2.896
   24    HD2  PHE   4           HD2      PHE   4 -13.374  -0.974   3.525
   25    HE1  PHE   4           HE1      PHE   4 -17.365  -3.542   2.085
   26    HE2  PHE   4           HE2      PHE   4 -13.109  -3.306   2.668
   27    HZ   PHE   4           HZ       PHE   4 -15.124  -4.594   1.980
   28    H    ARG   5           H        ARG   5 -15.757   0.675   0.361
   29    HA   ARG   5           HA       ARG   5 -12.903   0.488  -0.187
   30    HB2  ARG   5           HB2      ARG   5 -15.416   0.182  -1.850
   31    HB3  ARG   5           HB1      ARG   5 -13.806   0.067  -2.539
   32    HG2  ARG   5           HG2      ARG   5 -14.997  -1.769  -0.424
   33    HG3  ARG   5           HG1      ARG   5 -14.684  -2.154  -2.117
   34    HD2  ARG   5           HD2      ARG   5 -12.663  -1.711   0.081
   35    HD3  ARG   5           HD1      ARG   5 -12.953  -3.182  -0.826
   36    HE   ARG   5           HE       ARG   5 -11.351  -0.867  -1.602
   37   HH11  ARG   5          1HH1      ARG   5 -13.071  -3.686  -2.904
   38   HH12  ARG   5          1HH2      ARG   5 -12.130  -3.704  -4.378
   39   HH21  ARG   5          2HH2      ARG   5 -10.171  -0.919  -3.527
   40   HH22  ARG   5          2HH1      ARG   5 -10.509  -2.143  -4.733
   41    H    ARG   6           H        ARG   6 -12.875   2.801   0.749
   42    HA   ARG   6           HA       ARG   6 -13.779   4.882  -1.103
   43    HB2  ARG   6           HB2      ARG   6 -12.973   4.835   1.812
   44    HB3  ARG   6           HB1      ARG   6 -13.373   6.329   0.950
   45    HG2  ARG   6           HG2      ARG   6 -15.207   3.931   1.333
   46    HG3  ARG   6           HG1      ARG   6 -15.234   5.389   2.308
   47    HD2  ARG   6           HD2      ARG   6 -16.887   5.970   0.874
   48    HD3  ARG   6           HD1      ARG   6 -15.532   6.577  -0.072
   49    HE   ARG   6           HE       ARG   6 -16.903   3.939  -0.456
   50   HH11  ARG   6          1HH2      ARG   6 -15.214   6.699  -1.987
   51   HH12  ARG   6          1HH1      ARG   6 -15.451   6.043  -3.592
   52   HH21  ARG   6          2HH1      ARG   6 -17.179   3.204  -2.545
   53   HH22  ARG   6          2HH2      ARG   6 -16.575   4.118  -3.908
   54    H    ASP   7           H        ASP   7 -12.524   6.574  -1.712
   55    HA   ASP   7           HA       ASP   7  -9.696   5.901  -2.057
   56    HB2  ASP   7           HB2      ASP   7 -11.366   6.566  -3.881
   57    HB3  ASP   7           HB1      ASP   7 -11.240   8.225  -3.260
   58    H    SER   8           H        SER   8 -11.667   8.191  -0.221
   59    HA   SER   8           HA       SER   8  -9.682  10.185   0.058
   60    HB2  SER   8           HB2      SER   8 -12.112   9.594   1.776
   61    HB3  SER   8           HB1      SER   8 -11.147  11.082   1.794
   62    HG   SER   8           HG       SER   8 -12.905  11.365   0.452
   63    H    GLY   9           H        GLY   9  -9.279   7.131   1.177
   64    HA2  GLY   9           HA2      GLY   9  -7.589   8.009   3.472
   65    HA3  GLY   9           HA1      GLY   9  -8.062   6.341   3.116
   66    H    TYR  10           H        TYR  10  -5.621   6.018   0.472
   67    HA   TYR  10           HA       TYR  10  -6.485   4.718   2.811
   68    HB2  TYR  10           HB2      TYR  10  -8.547   5.266   0.909
   69    HB3  TYR  10           HB1      TYR  10  -8.064   3.640   0.586
   70    HD1  TYR  10           HD1      TYR  10  -7.451   2.516   3.271
   71    HD2  TYR  10           HD2      TYR  10 -10.560   5.211   2.054
   72    HE1  TYR  10           HE1      TYR  10  -8.897   1.613   5.019
   73    HE2  TYR  10           HE2      TYR  10 -12.065   4.203   3.739
   74    HH   TYR  10           HH       TYR  10 -12.286   2.712   5.465
   75    H    GLU  11           H        GLU  11  -5.626   2.749   2.837
   76    HA   GLU  11           HA       GLU  11  -5.454   1.294   0.301
   77    HB2  GLU  11           HB2      GLU  11  -3.437   1.278   2.569
   78    HB3  GLU  11           HB1      GLU  11  -3.764  -0.151   1.592
   79    HG2  GLU  11           HG2      GLU  11  -3.167   1.101  -0.475
   80    HG3  GLU  11           HG1      GLU  11  -2.802   2.534   0.509
   81    H    VAL  12           H        VAL  12  -7.569   0.682   0.670
   82    HA   VAL  12           HA       VAL  12  -8.653   0.021   3.171
   83    HB   VAL  12           HB       VAL  12  -9.672  -0.889   0.459
   84   HG11  VAL  12          HG11      VAL  12 -11.901  -0.678   1.720
   85   HG12  VAL  12          HG12      VAL  12 -10.881  -2.038   2.189
   86   HG13  VAL  12          HG13      VAL  12 -10.953  -0.580   3.205
   87   HG21  VAL  12          HG21      VAL  12 -10.981   1.084   0.304
   88   HG22  VAL  12          HG22      VAL  12 -10.519   1.618   1.924
   89   HG23  VAL  12          HG23      VAL  12  -9.344   1.632   0.592
   90    H    HIS  13           H        HIS  13  -6.902  -1.959   0.804
   91    HA   HIS  13           HA       HIS  13  -7.758  -4.461   1.799
   92    HB2  HIS  13           HB2      HIS  13  -6.774  -4.136  -0.412
   93    HB3  HIS  13           HB1      HIS  13  -5.228  -3.681   0.315
   94    HD1  HIS  13           HD1      HIS  13  -7.469  -6.829   0.039
   95    HD2  HIS  13           HD2      HIS  13  -3.542  -5.591   0.860
   96    HE1  HIS  13           HE1      HIS  13  -6.054  -8.946   0.197
   97    H    HIS  14           H        HIS  14  -5.134  -2.254   2.889
   98    HA   HIS  14           HA       HIS  14  -4.061  -4.187   4.788
   99    HB2  HIS  14           HB2      HIS  14  -3.828  -1.163   4.688
  100    HB3  HIS  14           HB1      HIS  14  -2.969  -2.219   5.804
  101    HD1  HIS  14           HD1      HIS  14  -1.977  -4.429   3.635
  102    HD2  HIS  14           HD2      HIS  14  -1.724  -0.250   3.490
  103    HE1  HIS  14           HE1      HIS  14   0.031  -3.869   2.150
  104    H    GLN  15           H        GLN  15  -6.661  -1.745   4.837
  105    HA   GLN  15           HA       GLN  15  -6.781  -1.813   7.724
  106    HB2  GLN  15           HB2      GLN  15  -8.357  -0.462   5.513
  107    HB3  GLN  15           HB1      GLN  15  -8.849  -0.351   7.204
  108    HG2  GLN  15           HG2      GLN  15  -6.144   0.506   6.095
  109    HG3  GLN  15           HG1      GLN  15  -7.442   1.592   6.598
  110   HE21  GLN  15          HE21      GLN  15  -8.260   1.269   8.927
  111   HE22  GLN  15          HE22      GLN  15  -7.035   0.949  10.136
  112    H    LYS  16           H        LYS  16  -8.692  -3.238   5.118
  113    HA   LYS  16           HA       LYS  16 -10.476  -4.556   7.100
  114    HB2  LYS  16           HB2      LYS  16 -11.169  -3.447   4.354
  115    HB3  LYS  16           HB1      LYS  16 -12.277  -4.252   5.454
  116    HG2  LYS  16           HG2      LYS  16 -10.933  -1.552   5.851
  117    HG3  LYS  16           HG1      LYS  16 -12.623  -1.860   5.465
  118    HD2  LYS  16           HD2      LYS  16 -12.930  -2.984   7.672
  119    HD3  LYS  16           HD1      LYS  16 -11.243  -2.614   8.061
  120    HE2  LYS  16           HE2      LYS  16 -11.729  -0.203   7.628
  121    HE3  LYS  16           HE1      LYS  16 -13.433  -0.618   7.428
  122    HZ1  LYS  16           HZ1      LYS  16 -11.838  -1.091   9.850
  123    HZ2  LYS  16           HZ2      LYS  16 -12.936   0.118   9.654
  124    HZ3  LYS  16           HZ3      LYS  16 -13.432  -1.453   9.667
  125    HN1  NH2  17           H2       NH2  17  -8.529  -6.850   4.479
  126    HN2  NH2  17           H1       NH2  17  -7.962  -5.306   5.076
  127    H1   ACE   0           H1       ACE   0  22.667   7.173   1.422
  128    H2   ACE   0           H2       ACE   0  22.594   6.104  -0.002
  129    H3   ACE   0           H3       ACE   0  22.196   7.825  -0.153
  130    H    ASP   1           H        ASP   1  20.161   6.968  -1.120
  131    HA   ASP   1           HA       ASP   1  18.091   6.283   0.910
  132    HB2  ASP   1           HB2      ASP   1  17.938   7.436  -1.916
  133    HB3  ASP   1           HB1      ASP   1  16.543   7.008  -0.922
  134    H    ALA   2           H        ALA   2  19.663   5.149  -2.037
  135    HA   ALA   2           HA       ALA   2  17.657   3.609  -3.148
  136    HB1  ALA   2           HB1      ALA   2  19.852   4.176  -4.180
  137    HB2  ALA   2           HB2      ALA   2  20.611   2.945  -3.138
  138    HB3  ALA   2           HB3      ALA   2  19.395   2.469  -4.338
  139    H    GLU   3           H        GLU   3  19.571   2.834  -0.330
  140    HA   GLU   3           HA       GLU   3  19.278   0.052  -0.131
  141    HB2  GLU   3           HB2      GLU   3  19.629   0.529   2.324
  142    HB3  GLU   3           HB1      GLU   3  20.851   1.160   1.225
  143    HG2  GLU   3           HG2      GLU   3  19.908   3.418   1.370
  144    HG3  GLU   3           HG1      GLU   3  18.563   2.827   2.353
  145    H    PHE   4           H        PHE   4  16.850   2.573   0.471
  146    HA   PHE   4           HA       PHE   4  14.917   0.403   1.123
  147    HB2  PHE   4           HB2      PHE   4  13.749   1.829   2.524
  148    HB3  PHE   4           HB1      PHE   4  15.427   1.981   3.014
  149    HD1  PHE   4           HD1      PHE   4  12.544   3.625   1.435
  150    HD2  PHE   4           HD2      PHE   4  16.652   4.066   2.550
  151    HE1  PHE   4           HE1      PHE   4  12.288   6.103   1.345
  152    HE2  PHE   4           HE2      PHE   4  16.427   6.555   2.410
  153    HZ   PHE   4           HZ       PHE   4  14.249   7.569   1.821
  154    H    ARG   5           H        ARG   5  15.706   3.169  -0.848
  155    HA   ARG   5           HA       ARG   5  13.295   2.892  -2.521
  156    HB2  ARG   5           HB2      ARG   5  15.761   4.617  -2.846
  157    HB3  ARG   5           HB1      ARG   5  14.323   4.641  -3.872
  158    HG2  ARG   5           HG2      ARG   5  14.565   5.481  -0.963
  159    HG3  ARG   5           HG1      ARG   5  14.223   6.508  -2.343
  160    HD2  ARG   5           HD2      ARG   5  12.356   4.358  -1.237
  161    HD3  ARG   5           HD1      ARG   5  12.247   6.091  -0.942
  162    HE   ARG   5           HE       ARG   5  12.136   5.080  -3.728
  163   HH11  ARG   5          2HH1      ARG   5  10.365   6.463  -0.974
  164   HH12  ARG   5          2HH2      ARG   5   9.024   6.991  -1.962
  165   HH21  ARG   5          1HH1      ARG   5  10.362   5.812  -4.977
  166   HH22  ARG   5          1HH2      ARG   5   9.016   6.606  -4.192
  167    H    ARG   6           H        ARG   6  14.400   0.605  -2.048
  168    HA   ARG   6           HA       ARG   6  16.313  -0.653  -3.618
  169    HB2  ARG   6           HB2      ARG   6  13.644  -1.352  -2.388
  170    HB3  ARG   6           HB1      ARG   6  14.658  -2.602  -3.102
  171    HG2  ARG   6           HG2      ARG   6  15.439  -0.819  -0.764
  172    HG3  ARG   6           HG1      ARG   6  14.742  -2.415  -0.607
  173    HD2  ARG   6           HD2      ARG   6  17.039  -2.772  -0.295
  174    HD3  ARG   6           HD1      ARG   6  16.692  -3.351  -1.929
  175    HE   ARG   6           HE       ARG   6  17.511  -0.593  -1.889
  176   HH11  ARG   6          2HH1      ARG   6  18.859  -3.875  -1.755
  177   HH12  ARG   6          2HH2      ARG   6  20.341  -3.396  -2.553
  178   HH21  ARG   6          1HH2      ARG   6  19.371  -0.038  -2.979
  179   HH22  ARG   6          1HH1      ARG   6  20.631  -1.219  -3.249
  180    H    ASP   7           H        ASP   7  15.653  -2.401  -5.335
  181    HA   ASP   7           HA       ASP   7  13.823  -1.175  -7.350
  182    HB2  ASP   7           HB2      ASP   7  14.877  -2.471  -8.989
  183    HB3  ASP   7           HB1      ASP   7  16.158  -1.743  -8.026
  184    H    SER   8           H        SER   8  14.424  -4.097  -5.445
  185    HA   SER   8           HA       SER   8  11.726  -5.142  -6.082
  186    HB2  SER   8           HB2      SER   8  14.259  -6.583  -5.227
  187    HB3  SER   8           HB1      SER   8  12.680  -7.346  -5.499
  188    HG   SER   8           HG       SER   8  14.201  -5.918  -7.424
  189    H    GLY   9           H        GLY   9  10.424  -5.836  -4.307
  190    HA2  GLY   9           HA2      GLY   9  11.323  -5.994  -1.593
  191    HA3  GLY   9           HA1      GLY   9  10.528  -4.470  -1.934
  192    H    TYR  10           H        TYR  10   7.296  -6.054  -1.967
  193    HA   TYR  10           HA       TYR  10   8.780  -3.886  -0.772
  194    HB2  TYR  10           HB2      TYR  10   8.352  -4.012  -3.651
  195    HB3  TYR  10           HB1      TYR  10   7.277  -2.820  -3.001
  196    HD1  TYR  10           HD1      TYR  10   8.874  -1.554  -0.822
  197    HD2  TYR  10           HD2      TYR  10   9.930  -2.847  -4.791
  198    HE1  TYR  10           HE1      TYR  10  10.508   0.275  -0.967
  199    HE2  TYR  10           HE2      TYR  10  11.593  -1.043  -4.937
  200    HH   TYR  10           HH       TYR  10  12.364   0.905  -3.982
  201    H    GLU  11           H        GLU  11   7.389  -2.404   0.163
  202    HA   GLU  11           HA       GLU  11   5.531  -1.860  -1.835
  203    HB2  GLU  11           HB2      GLU  11   4.017  -2.749   0.034
  204    HB3  GLU  11           HB1      GLU  11   4.526  -1.306   0.930
  205    HG2  GLU  11           HG2      GLU  11   3.768   0.070  -1.089
  206    HG3  GLU  11           HG1      GLU  11   3.073  -1.413  -1.750
  207    H    VAL  12           H        VAL  12   6.323   0.006  -2.538
  208    HA   VAL  12           HA       VAL  12   8.470   1.326  -1.409
  209    HB   VAL  12           HB       VAL  12   6.437   2.327  -3.446
  210   HG11  VAL  12          HG11      VAL  12   7.695   4.250  -2.669
  211   HG12  VAL  12          HG12      VAL  12   9.224   3.339  -2.714
  212   HG13  VAL  12          HG13      VAL  12   8.397   3.774  -4.215
  213   HG21  VAL  12          HG21      VAL  12   9.181   1.155  -3.998
  214   HG22  VAL  12          HG22      VAL  12   7.713   0.158  -4.019
  215   HG23  VAL  12          HG23      VAL  12   7.896   1.491  -5.153
  216    H    HIS  13           H        HIS  13   5.004   2.029  -1.097
  217    HA   HIS  13           HA       HIS  13   5.296   4.669  -0.229
  218    HB2  HIS  13           HB2      HIS  13   2.971   2.876   0.522
  219    HB3  HIS  13           HB1      HIS  13   2.934   4.599   0.180
  220    HD1  HIS  13           HD1      HIS  13   1.771   1.656  -1.351
  221    HD2  HIS  13           HD2      HIS  13   4.167   4.841  -2.671
  222    HE1  HIS  13           HE1      HIS  13   1.748   1.565  -3.890
  223    H    HIS  14           H        HIS  14   5.733   1.721   1.606
  224    HA   HIS  14           HA       HIS  14   5.250   3.116   4.188
  225    HB2  HIS  14           HB2      HIS  14   5.516   0.193   3.444
  226    HB3  HIS  14           HB1      HIS  14   5.309   0.782   5.103
  227    HD1  HIS  14           HD1      HIS  14   3.013   2.715   5.036
  228    HD2  HIS  14           HD2      HIS  14   3.273  -0.579   2.471
  229    HE1  HIS  14           HE1      HIS  14   0.679   2.319   4.118
  230    H    GLN  15           H        GLN  15   7.943   2.578   2.189
  231    HA   GLN  15           HA       GLN  15   9.748   2.070   4.452
  232    HB2  GLN  15           HB2      GLN  15  10.251   2.199   1.461
  233    HB3  GLN  15           HB1      GLN  15  11.474   1.949   2.700
  234    HG2  GLN  15           HG2      GLN  15   9.843   0.008   3.502
  235    HG3  GLN  15           HG1      GLN  15   9.241   0.117   1.845
  236   HE21  GLN  15          HE22      GLN  15  12.408   0.093   3.612
  237   HE22  GLN  15          HE21      GLN  15  13.171  -1.077   2.554
  238    H    LYS  16           H        LYS  16  11.618   3.347   4.786
  239    HA   LYS  16           HA       LYS  16  11.559   6.183   3.982
  240    HB2  LYS  16           HB2      LYS  16  11.108   5.185   6.826
  241    HB3  LYS  16           HB1      LYS  16  11.643   6.824   6.443
  242    HG2  LYS  16           HG2      LYS  16   9.592   7.102   4.998
  243    HG3  LYS  16           HG1      LYS  16   9.005   5.558   5.647
  244    HD2  LYS  16           HD2      LYS  16   9.131   6.453   7.937
  245    HD3  LYS  16           HD1      LYS  16   9.738   8.008   7.307
  246    HE2  LYS  16           HE2      LYS  16   7.693   8.267   5.960
  247    HE3  LYS  16           HE1      LYS  16   7.100   6.711   6.532
  248    HZ1  LYS  16           HZ1      LYS  16   6.151   8.505   7.784
  249    HZ2  LYS  16           HZ2      LYS  16   7.119   7.597   8.758
  250    HZ3  LYS  16           HZ3      LYS  16   7.642   9.054   8.212
  251    HN1  NH2  17           H2       NH2  17  14.913   6.501   5.282
  252    HN2  NH2  17           H1       NH2  17  13.409   7.390   5.177
  Start of MODEL   15
    1    H1   ACE   0           H1       ACE   0  -9.565  -3.159  -2.637
    2    H2   ACE   0           H2       ACE   0  -9.497  -4.456  -1.422
    3    H3   ACE   0           H3       ACE   0  -9.038  -4.790  -3.106
    4    H    ASP   1           H        ASP   1 -11.805  -2.878  -1.935
    5    HA   ASP   1           HA       ASP   1 -13.714  -4.292  -3.592
    6    HB2  ASP   1           HB2      ASP   1 -13.494  -5.800  -1.557
    7    HB3  ASP   1           HB1      ASP   1 -14.033  -4.428  -0.577
    8    H    ALA   2           H        ALA   2 -15.667  -3.106  -3.750
    9    HA   ALA   2           HA       ALA   2 -15.452  -0.365  -3.775
   10    HB1  ALA   2           HB1      ALA   2 -17.929  -0.363  -4.056
   11    HB2  ALA   2           HB2      ALA   2 -17.103  -1.525  -5.107
   12    HB3  ALA   2           HB3      ALA   2 -17.953  -2.081  -3.639
   13    H    GLU   3           H        GLU   3 -16.952  -2.323  -1.140
   14    HA   GLU   3           HA       GLU   3 -18.131  -0.136   0.224
   15    HB2  GLU   3           HB2      GLU   3 -17.026  -2.643   1.543
   16    HB3  GLU   3           HB1      GLU   3 -18.318  -1.578   2.118
   17    HG2  GLU   3           HG2      GLU   3 -19.650  -2.208   0.074
   18    HG3  GLU   3           HG1      GLU   3 -18.381  -3.396  -0.301
   19    H    PHE   4           H        PHE   4 -14.866  -1.498   0.320
   20    HA   PHE   4           HA       PHE   4 -14.013   0.403   2.420
   21    HB2  PHE   4           HB2      PHE   4 -12.730  -2.035   1.164
   22    HB3  PHE   4           HB1      PHE   4 -11.867  -0.944   2.249
   23    HD1  PHE   4           HD1      PHE   4 -14.700  -3.297   2.019
   24    HD2  PHE   4           HD2      PHE   4 -12.382  -0.795   4.622
   25    HE1  PHE   4           HE1      PHE   4 -15.663  -4.475   3.984
   26    HE2  PHE   4           HE2      PHE   4 -13.365  -1.952   6.597
   27    HZ   PHE   4           HZ       PHE   4 -14.981  -3.807   6.287
   28    H    ARG   5           H        ARG   5 -13.854   0.157  -1.056
   29    HA   ARG   5           HA       ARG   5 -11.575   1.928  -1.372
   30    HB2  ARG   5           HB2      ARG   5 -13.675   0.787  -3.222
   31    HB3  ARG   5           HB1      ARG   5 -12.566   2.023  -3.780
   32    HG2  ARG   5           HG2      ARG   5 -11.804  -0.761  -2.871
   33    HG3  ARG   5           HG1      ARG   5 -11.755  -0.090  -4.493
   34    HD2  ARG   5           HD2      ARG   5  -9.946   0.486  -2.155
   35    HD3  ARG   5           HD1      ARG   5  -9.504  -0.136  -3.735
   36    HE   ARG   5           HE       ARG   5  -9.958   2.636  -2.909
   37   HH11  ARG   5          1HH1      ARG   5  -9.565   0.560  -5.778
   38   HH12  ARG   5          1HH2      ARG   5  -9.088   1.905  -6.787
   39   HH21  ARG   5          2HH2      ARG   5  -9.339   4.301  -4.238
   40   HH22  ARG   5          2HH1      ARG   5  -8.976   4.013  -5.924
   41    H    ARG   6           H        ARG   6 -13.121   3.015   0.504
   42    HA   ARG   6           HA       ARG   6 -14.909   5.040  -0.471
   43    HB2  ARG   6           HB2      ARG   6 -13.590   4.579   2.228
   44    HB3  ARG   6           HB1      ARG   6 -14.898   5.726   1.927
   45    HG2  ARG   6           HG2      ARG   6 -15.019   2.707   1.661
   46    HG3  ARG   6           HG1      ARG   6 -15.680   3.657   2.980
   47    HD2  ARG   6           HD2      ARG   6 -17.568   3.187   1.740
   48    HD3  ARG   6           HD1      ARG   6 -17.158   4.815   1.215
   49    HE   ARG   6           HE       ARG   6 -16.426   2.345  -0.326
   50   HH11  ARG   6          2HH1      ARG   6 -18.012   5.541  -0.317
   51   HH12  ARG   6          2HH2      ARG   6 -18.311   5.490  -2.040
   52   HH21  ARG   6          1HH2      ARG   6 -16.822   2.400  -2.567
   53   HH22  ARG   6          1HH1      ARG   6 -17.648   3.766  -3.276
   54    H    ASP   7           H        ASP   7 -14.567   7.252  -0.363
   55    HA   ASP   7           HA       ASP   7 -12.114   8.243  -1.364
   56    HB2  ASP   7           HB2      ASP   7 -14.382   9.183  -1.748
   57    HB3  ASP   7           HB1      ASP   7 -14.502   9.603  -0.031
   58    H    SER   8           H        SER   8 -13.299   7.850   1.931
   59    HA   SER   8           HA       SER   8 -11.948  10.000   3.089
   60    HB2  SER   8           HB2      SER   8 -13.069   7.487   4.367
   61    HB3  SER   8           HB1      SER   8 -12.797   9.050   5.173
   62    HG   SER   8           HG       SER   8 -14.987   8.504   4.309
   63    H    GLY   9           H        GLY   9 -10.304   7.276   1.966
   64    HA2  GLY   9           HA2      GLY   9  -8.188   7.502   4.048
   65    HA3  GLY   9           HA1      GLY   9  -8.662   5.973   3.318
   66    H    TYR  10           H        TYR  10  -6.660   6.652   0.412
   67    HA   TYR  10           HA       TYR  10  -6.832   4.901   2.684
   68    HB2  TYR  10           HB2      TYR  10  -9.009   5.082   0.806
   69    HB3  TYR  10           HB1      TYR  10  -8.131   3.654   0.380
   70    HD1  TYR  10           HD1      TYR  10  -7.236   2.596   3.040
   71    HD2  TYR  10           HD2      TYR  10 -10.964   4.366   1.833
   72    HE1  TYR  10           HE1      TYR  10  -8.331   1.532   4.935
   73    HE2  TYR  10           HE2      TYR  10 -12.111   3.220   3.687
   74    HH   TYR  10           HH       TYR  10 -10.318   1.204   6.064
   75    H    GLU  11           H        GLU  11  -5.600   3.089   2.420
   76    HA   GLU  11           HA       GLU  11  -4.709   2.309  -0.259
   77    HB2  GLU  11           HB2      GLU  11  -2.785   3.384   1.039
   78    HB3  GLU  11           HB1      GLU  11  -2.962   2.111   2.240
   79    HG2  GLU  11           HG2      GLU  11  -2.861   0.674  -0.139
   80    HG3  GLU  11           HG1      GLU  11  -1.806   2.038  -0.503
   81    H    VAL  12           H        VAL  12  -6.658   1.086  -0.107
   82    HA   VAL  12           HA       VAL  12  -7.552  -0.377   2.085
   83    HB   VAL  12           HB       VAL  12  -8.247  -0.372  -0.854
   84   HG11  VAL  12          HG11      VAL  12  -8.987  -2.595  -0.184
   85   HG12  VAL  12          HG12      VAL  12  -9.742  -1.941   1.288
   86   HG13  VAL  12          HG13      VAL  12 -10.383  -1.534  -0.318
   87   HG21  VAL  12          HG21      VAL  12  -9.690   0.536   1.671
   88   HG22  VAL  12          HG22      VAL  12  -8.770   1.579   0.561
   89   HG23  VAL  12          HG23      VAL  12 -10.213   0.773  -0.022
   90    H    HIS  13           H        HIS  13  -4.916  -1.274   0.106
   91    HA   HIS  13           HA       HIS  13  -5.185  -4.094   0.287
   92    HB2  HIS  13           HB2      HIS  13  -3.505  -3.134  -1.128
   93    HB3  HIS  13           HB1      HIS  13  -2.852  -2.167   0.194
   94    HD1  HIS  13           HD1      HIS  13  -3.228  -6.033  -0.258
   95    HD2  HIS  13           HD2      HIS  13  -0.589  -3.007   0.963
   96    HE1  HIS  13           HE1      HIS  13  -1.077  -7.186   0.491
   97    H    HIS  14           H        HIS  14  -4.676  -1.664   2.748
   98    HA   HIS  14           HA       HIS  14  -3.737  -3.586   4.745
   99    HB2  HIS  14           HB2      HIS  14  -4.407  -0.634   4.763
  100    HB3  HIS  14           HB1      HIS  14  -4.036  -1.513   6.241
  101    HD1  HIS  14           HD1      HIS  14  -1.537  -2.800   6.241
  102    HD2  HIS  14           HD2      HIS  14  -2.383   0.008   3.254
  103    HE1  HIS  14           HE1      HIS  14   0.667  -2.333   5.045
  104    H    GLN  15           H        GLN  15  -6.713  -3.222   3.350
  105    HA   GLN  15           HA       GLN  15  -8.212  -3.772   5.852
  106    HB2  GLN  15           HB2      GLN  15  -8.756  -1.968   3.469
  107    HB3  GLN  15           HB1      GLN  15 -10.094  -2.636   4.387
  108    HG2  GLN  15           HG2      GLN  15  -7.832  -1.012   5.632
  109    HG3  GLN  15           HG1      GLN  15  -9.418  -0.398   5.144
  110   HE21  GLN  15          HE21      GLN  15  -7.718  -1.843   7.755
  111   HE22  GLN  15          HE22      GLN  15  -9.113  -2.280   8.715
  112    H    LYS  16           H        LYS  16  -8.076  -4.321   2.315
  113    HA   LYS  16           HA       LYS  16  -9.230  -6.999   2.636
  114    HB2  LYS  16           HB2      LYS  16 -10.528  -4.782   0.975
  115    HB3  LYS  16           HB1      LYS  16 -10.835  -6.498   0.754
  116    HG2  LYS  16           HG2      LYS  16 -11.392  -6.497   3.328
  117    HG3  LYS  16           HG1      LYS  16 -11.531  -4.751   3.129
  118    HD2  LYS  16           HD2      LYS  16 -13.689  -5.841   3.016
  119    HD3  LYS  16           HD1      LYS  16 -13.308  -5.110   1.443
  120    HE2  LYS  16           HE2      LYS  16 -12.861  -7.218   0.457
  121    HE3  LYS  16           HE1      LYS  16 -12.696  -8.019   2.033
  122    HZ1  LYS  16           HZ1      LYS  16 -15.202  -6.915   1.011
  123    HZ2  LYS  16           HZ2      LYS  16 -14.772  -8.503   0.912
  124    HZ3  LYS  16           HZ3      LYS  16 -14.991  -7.793   2.385
  125    HN1  NH2  17           H2       NH2  17  -7.688  -7.899  -0.436
  126    HN2  NH2  17           H1       NH2  17  -8.961  -8.301   0.695
  127    H1   ACE   0           H1       ACE   0   5.964   8.183  -7.532
  128    H2   ACE   0           H2       ACE   0   4.698   7.315  -8.398
  129    H3   ACE   0           H3       ACE   0   5.898   6.407  -7.440
  130    H    ASP   1           H        ASP   1   8.219   6.551  -8.183
  131    HA   ASP   1           HA       ASP   1   8.299   6.400 -11.118
  132    HB2  ASP   1           HB2      ASP   1   8.992   8.764 -10.427
  133    HB3  ASP   1           HB1      ASP   1  10.391   8.014  -9.638
  134    H    ALA   2           H        ALA   2   9.699   4.898 -11.804
  135    HA   ALA   2           HA       ALA   2  10.052   2.596 -10.494
  136    HB1  ALA   2           HB1      ALA   2  11.787   2.072 -12.245
  137    HB2  ALA   2           HB2      ALA   2  10.312   2.821 -12.883
  138    HB3  ALA   2           HB3      ALA   2  11.778   3.788 -12.691
  139    H    GLU   3           H        GLU   3  12.554   5.166 -10.568
  140    HA   GLU   3           HA       GLU   3  14.666   3.729  -9.477
  141    HB2  GLU   3           HB2      GLU   3  15.592   5.923  -8.855
  142    HB3  GLU   3           HB1      GLU   3  14.926   5.891 -10.495
  143    HG2  GLU   3           HG2      GLU   3  12.850   6.985  -9.681
  144    HG3  GLU   3           HG1      GLU   3  13.522   7.018  -8.044
  145    H    PHE   4           H        PHE   4  11.985   5.232  -7.647
  146    HA   PHE   4           HA       PHE   4  13.072   3.903  -5.207
  147    HB2  PHE   4           HB2      PHE   4  11.886   5.491  -3.923
  148    HB3  PHE   4           HB1      PHE   4  12.887   6.347  -5.088
  149    HD1  PHE   4           HD1      PHE   4   9.428   5.299  -4.275
  150    HD2  PHE   4           HD2      PHE   4  11.880   7.720  -6.813
  151    HE1  PHE   4           HE1      PHE   4   7.436   6.697  -4.847
  152    HE2  PHE   4           HE2      PHE   4   9.888   9.084  -7.450
  153    HZ   PHE   4           HZ       PHE   4   7.708   8.645  -6.375
  154    H    ARG   5           H        ARG   5  10.447   4.021  -7.510
  155    HA   ARG   5           HA       ARG   5   8.791   2.145  -6.043
  156    HB2  ARG   5           HB2      ARG   5   7.828   3.934  -7.426
  157    HB3  ARG   5           HB1      ARG   5   8.572   3.237  -8.859
  158    HG2  ARG   5           HG2      ARG   5   6.128   2.784  -8.498
  159    HG3  ARG   5           HG1      ARG   5   7.133   1.396  -8.877
  160    HD2  ARG   5           HD2      ARG   5   6.533   2.052  -5.976
  161    HD3  ARG   5           HD1      ARG   5   5.294   1.299  -6.959
  162    HE   ARG   5           HE       ARG   5   7.789   0.073  -6.044
  163   HH11  ARG   5          2HH1      ARG   5   4.995  -0.281  -8.230
  164   HH12  ARG   5          2HH2      ARG   5   5.140  -2.021  -8.272
  165   HH21  ARG   5          1HH1      ARG   5   7.922  -2.174  -6.163
  166   HH22  ARG   5          1HH2      ARG   5   6.765  -3.081  -7.108
  167    H    ARG   6           H        ARG   6  11.182   1.330  -5.929
  168    HA   ARG   6           HA       ARG   6  12.242  -0.532  -7.739
  169    HB2  ARG   6           HB2      ARG   6  12.238  -0.108  -4.735
  170    HB3  ARG   6           HB1      ARG   6  13.299  -1.293  -5.524
  171    HG2  ARG   6           HG2      ARG   6  13.345   1.720  -5.992
  172    HG3  ARG   6           HG1      ARG   6  14.355   0.855  -4.841
  173    HD2  ARG   6           HD2      ARG   6  15.780   1.059  -6.658
  174    HD3  ARG   6           HD1      ARG   6  15.132  -0.580  -6.837
  175    HE   ARG   6           HE       ARG   6  13.638   1.476  -8.267
  176   HH11  ARG   6          2HH1      ARG   6  16.405  -0.756  -8.504
  177   HH12  ARG   6          2HH2      ARG   6  16.310  -0.831 -10.247
  178   HH21  ARG   6          1HH2      ARG   6  13.521   1.277 -10.497
  179   HH22  ARG   6          1HH1      ARG   6  14.700   0.325 -11.369
  180    H    ASP   7           H        ASP   7  12.209  -2.841  -7.527
  181    HA   ASP   7           HA       ASP   7   9.479  -3.862  -6.959
  182    HB2  ASP   7           HB2      ASP   7  11.663  -4.860  -8.827
  183    HB3  ASP   7           HB1      ASP   7  10.020  -5.501  -8.706
  184    H    SER   8           H        SER   8  12.854  -4.369  -6.014
  185    HA   SER   8           HA       SER   8  12.432  -7.081  -5.154
  186    HB2  SER   8           HB2      SER   8  14.693  -5.126  -4.653
  187    HB3  SER   8           HB1      SER   8  14.706  -6.848  -4.216
  188    HG   SER   8           HG       SER   8  14.407  -7.343  -6.401
  189    H    GLY   9           H        GLY   9  10.480  -6.766  -3.777
  190    HA2  GLY   9           HA2      GLY   9  11.055  -6.686  -1.024
  191    HA3  GLY   9           HA1      GLY   9  10.457  -5.108  -1.488
  192    H    TYR  10           H        TYR  10   7.093  -6.372  -2.031
  193    HA   TYR  10           HA       TYR  10   8.509  -4.339  -0.621
  194    HB2  TYR  10           HB2      TYR  10   8.697  -4.391  -3.502
  195    HB3  TYR  10           HB1      TYR  10   7.571  -3.137  -3.100
  196    HD1  TYR  10           HD1      TYR  10   8.669  -1.983  -0.549
  197    HD2  TYR  10           HD2      TYR  10  10.666  -3.430  -4.072
  198    HE1  TYR  10           HE1      TYR  10  10.583  -0.540  -0.036
  199    HE2  TYR  10           HE2      TYR  10  12.605  -2.012  -3.544
  200    HH   TYR  10           HH       TYR  10  12.708   0.162  -0.724
  201    H    GLU  11           H        GLU  11   7.145  -2.563  -0.169
  202    HA   GLU  11           HA       GLU  11   4.712  -2.239  -1.598
  203    HB2  GLU  11           HB2      GLU  11   4.314  -3.690   0.607
  204    HB3  GLU  11           HB1      GLU  11   4.365  -2.143   1.403
  205    HG2  GLU  11           HG2      GLU  11   2.620  -2.124  -1.008
  206    HG3  GLU  11           HG1      GLU  11   2.206  -3.440   0.073
  207    H    VAL  12           H        VAL  12   5.901  -0.577  -2.414
  208    HA   VAL  12           HA       VAL  12   7.897   0.806  -1.157
  209    HB   VAL  12           HB       VAL  12   6.427   1.158  -3.739
  210   HG11  VAL  12          HG11      VAL  12   8.014   2.943  -4.408
  211   HG12  VAL  12          HG12      VAL  12   6.943   3.478  -3.151
  212   HG13  VAL  12          HG13      VAL  12   8.621   3.018  -2.752
  213   HG21  VAL  12          HG21      VAL  12   8.716   0.586  -4.584
  214   HG22  VAL  12          HG22      VAL  12   9.310   0.544  -2.923
  215   HG23  VAL  12          HG23      VAL  12   8.099  -0.637  -3.473
  216    H    HIS  13           H        HIS  13   4.467   1.744  -1.111
  217    HA   HIS  13           HA       HIS  13   4.928   4.482  -0.773
  218    HB2  HIS  13           HB2      HIS  13   2.617   2.720   0.098
  219    HB3  HIS  13           HB1      HIS  13   2.659   4.452   0.436
  220    HD1  HIS  13           HD1      HIS  13   2.076   2.118  -2.490
  221    HD2  HIS  13           HD2      HIS  13   2.575   6.195  -1.615
  222    HE1  HIS  13           HE1      HIS  13   1.322   3.397  -4.554
  223    H    HIS  14           H        HIS  14   5.548   1.969   1.535
  224    HA   HIS  14           HA       HIS  14   5.555   3.845   3.831
  225    HB2  HIS  14           HB2      HIS  14   6.033   0.851   3.628
  226    HB3  HIS  14           HB1      HIS  14   5.847   1.755   5.127
  227    HD1  HIS  14           HD1      HIS  14   3.301   3.041   5.328
  228    HD2  HIS  14           HD2      HIS  14   3.879   0.040   2.456
  229    HE1  HIS  14           HE1      HIS  14   0.983   2.411   4.459
  230    H    GLN  15           H        GLN  15   7.721   3.248   1.414
  231    HA   GLN  15           HA       GLN  15  10.170   3.150   3.062
  232    HB2  GLN  15           HB2      GLN  15   9.126   1.158   1.002
  233    HB3  GLN  15           HB1      GLN  15  10.804   1.212   1.512
  234    HG2  GLN  15           HG2      GLN  15  10.143   0.756   3.853
  235    HG3  GLN  15           HG1      GLN  15   8.451   0.667   3.358
  236   HE21  GLN  15          HE21      GLN  15  11.505  -1.036   3.415
  237   HE22  GLN  15          HE22      GLN  15  10.915  -2.515   2.689
  238    H    LYS  16           H        LYS  16  12.126   3.066   1.427
  239    HA   LYS  16           HA       LYS  16  11.781   5.220  -0.532
  240    HB2  LYS  16           HB2      LYS  16  14.206   5.081  -0.776
  241    HB3  LYS  16           HB1      LYS  16  13.707   5.342   0.887
  242    HG2  LYS  16           HG2      LYS  16  14.301   3.204   1.594
  243    HG3  LYS  16           HG1      LYS  16  14.154   2.494  -0.004
  244    HD2  LYS  16           HD2      LYS  16  16.394   4.317   0.945
  245    HD3  LYS  16           HD1      LYS  16  16.457   2.577   0.749
  246    HE2  LYS  16           HE2      LYS  16  16.106   4.603  -1.491
  247    HE3  LYS  16           HE1      LYS  16  17.539   3.618  -1.147
  248    HZ1  LYS  16           HZ1      LYS  16  16.304   2.616  -2.862
  249    HZ2  LYS  16           HZ2      LYS  16  16.153   1.668  -1.531
  250    HZ3  LYS  16           HZ3      LYS  16  14.908   2.642  -1.996
  251    HN1  NH2  17           H2       NH2  17  11.020   2.068  -2.590
  252    HN2  NH2  17           H1       NH2  17  10.395   2.606  -1.046
  Start of MODEL   16
    1    H1   ACE   0           H1       ACE   0 -11.878  -3.855  -0.664
    2    H2   ACE   0           H2       ACE   0 -11.879  -5.525  -1.275
    3    H3   ACE   0           H3       ACE   0 -11.132  -4.221  -2.226
    4    H    ASP   1           H        ASP   1 -14.248  -4.796  -0.550
    5    HA   ASP   1           HA       ASP   1 -15.756  -4.094  -3.009
    6    HB2  ASP   1           HB2      ASP   1 -16.045  -6.344  -1.814
    7    HB3  ASP   1           HB1      ASP   1 -16.825  -5.433  -0.508
    8    H    ALA   2           H        ALA   2 -17.575  -2.730  -2.796
    9    HA   ALA   2           HA       ALA   2 -16.876  -0.311  -2.366
   10    HB1  ALA   2           HB1      ALA   2 -19.292   0.383  -2.253
   11    HB2  ALA   2           HB2      ALA   2 -18.914  -0.784  -3.527
   12    HB3  ALA   2           HB3      ALA   2 -19.716  -1.323  -2.035
   13    H    GLU   3           H        GLU   3 -18.941  -1.759   0.175
   14    HA   GLU   3           HA       GLU   3 -19.164   0.327   1.900
   15    HB2  GLU   3           HB2      GLU   3 -19.679  -1.339   3.608
   16    HB3  GLU   3           HB1      GLU   3 -20.387  -1.750   2.046
   17    HG2  GLU   3           HG2      GLU   3 -18.288  -3.254   1.680
   18    HG3  GLU   3           HG1      GLU   3 -17.979  -3.005   3.409
   19    H    PHE   4           H        PHE   4 -16.310  -1.840   1.812
   20    HA   PHE   4           HA       PHE   4 -15.036  -0.125   3.880
   21    HB2  PHE   4           HB2      PHE   4 -13.770  -1.960   4.562
   22    HB3  PHE   4           HB1      PHE   4 -15.431  -2.514   4.430
   23    HD1  PHE   4           HD2      PHE   4 -16.106  -3.947   2.484
   24    HD2  PHE   4           HD1      PHE   4 -12.020  -2.868   3.208
   25    HE1  PHE   4           HE2      PHE   4 -15.363  -5.890   1.116
   26    HE2  PHE   4           HE1      PHE   4 -11.260  -4.789   1.801
   27    HZ   PHE   4           HZ       PHE   4 -12.945  -6.311   0.779
   28    H    ARG   5           H        ARG   5 -14.967  -0.939   0.544
   29    HA   ARG   5           HA       ARG   5 -12.260  -0.009   0.073
   30    HB2  ARG   5           HB2      ARG   5 -13.230  -1.797  -1.216
   31    HB3  ARG   5           HB1      ARG   5 -14.523  -0.745  -1.797
   32    HG2  ARG   5           HG2      ARG   5 -12.576  -1.204  -3.357
   33    HG3  ARG   5           HG1      ARG   5 -13.087   0.462  -3.174
   34    HD2  ARG   5           HD2      ARG   5 -10.787  -0.599  -1.494
   35    HD3  ARG   5           HD1      ARG   5 -10.528  -0.191  -3.182
   36    HE   ARG   5           HE       ARG   5 -10.841   1.682  -1.022
   37   HH11  ARG   5          1HH1      ARG   5 -11.339   1.249  -4.511
   38   HH12  ARG   5          1HH2      ARG   5 -11.298   2.964  -4.838
   39   HH21  ARG   5          2HH2      ARG   5 -10.821   3.930  -1.515
   40   HH22  ARG   5          2HH1      ARG   5 -11.017   4.453  -3.173
   41    H    ARG   6           H        ARG   6 -12.954   1.745   1.543
   42    HA   ARG   6           HA       ARG   6 -14.661   3.824   0.526
   43    HB2  ARG   6           HB2      ARG   6 -13.041   3.286   3.024
   44    HB3  ARG   6           HB1      ARG   6 -13.953   4.793   2.825
   45    HG2  ARG   6           HG2      ARG   6 -15.092   1.956   2.845
   46    HG3  ARG   6           HG1      ARG   6 -15.101   3.084   4.189
   47    HD2  ARG   6           HD2      ARG   6 -17.251   3.256   3.368
   48    HD3  ARG   6           HD1      ARG   6 -16.450   4.668   2.684
   49    HE   ARG   6           HE       ARG   6 -16.767   2.116   1.157
   50   HH11  ARG   6          2HH1      ARG   6 -17.495   5.608   1.347
   51   HH12  ARG   6          2HH2      ARG   6 -18.239   5.618  -0.238
   52   HH21  ARG   6          1HH2      ARG   6 -17.694   2.224  -0.878
   53   HH22  ARG   6          1HH1      ARG   6 -18.352   3.729  -1.479
   54    H    ASP   7           H        ASP   7 -14.119   5.924   0.249
   55    HA   ASP   7           HA       ASP   7 -11.569   6.447  -1.080
   56    HB2  ASP   7           HB2      ASP   7 -13.802   7.000  -2.033
   57    HB3  ASP   7           HB1      ASP   7 -14.115   8.061  -0.662
   58    H    SER   8           H        SER   8 -12.803   6.847   2.100
   59    HA   SER   8           HA       SER   8 -12.122   9.460   2.705
   60    HB2  SER   8           HB2      SER   8 -12.273   7.041   4.544
   61    HB3  SER   8           HB1      SER   8 -12.386   8.746   5.045
   62    HG   SER   8           HG       SER   8 -14.440   7.833   4.713
   63    H    GLY   9           H        GLY   9  -9.762   7.017   2.084
   64    HA2  GLY   9           HA2      GLY   9  -7.711   8.437   3.713
   65    HA3  GLY   9           HA1      GLY   9  -7.828   6.682   3.603
   66    H    TYR  10           H        TYR  10  -6.304   6.640   0.340
   67    HA   TYR  10           HA       TYR  10  -6.478   5.273   2.861
   68    HB2  TYR  10           HB2      TYR  10  -8.753   5.380   1.069
   69    HB3  TYR  10           HB1      TYR  10  -8.034   3.813   0.916
   70    HD1  TYR  10           HD1      TYR  10  -7.227   2.920   3.492
   71    HD2  TYR  10           HD2      TYR  10 -10.603   5.345   2.421
   72    HE1  TYR  10           HE1      TYR  10  -8.402   2.144   5.505
   73    HE2  TYR  10           HE2      TYR  10 -11.795   4.587   4.420
   74    HH   TYR  10           HH       TYR  10 -10.363   2.227   6.728
   75    H    GLU  11           H        GLU  11  -5.678   3.159   2.700
   76    HA   GLU  11           HA       GLU  11  -5.244   2.069   0.069
   77    HB2  GLU  11           HB2      GLU  11  -2.979   2.936   0.872
   78    HB3  GLU  11           HB1      GLU  11  -3.109   1.792   2.211
   79    HG2  GLU  11           HG2      GLU  11  -3.491  -0.012   0.354
   80    HG3  GLU  11           HG1      GLU  11  -2.922   1.212  -0.782
   81    H    VAL  12           H        VAL  12  -7.218   1.184   0.596
   82    HA   VAL  12           HA       VAL  12  -7.979   0.013   2.989
   83    HB   VAL  12           HB       VAL  12  -9.017  -0.238   0.157
   84   HG11  VAL  12          HG11      VAL  12 -11.085  -1.269   1.111
   85   HG12  VAL  12          HG12      VAL  12  -9.715  -2.327   1.222
   86   HG13  VAL  12          HG13      VAL  12 -10.260  -1.435   2.667
   87   HG21  VAL  12          HG21      VAL  12 -10.116   1.094   2.683
   88   HG22  VAL  12          HG22      VAL  12  -9.253   1.930   1.376
   89   HG23  VAL  12          HG23      VAL  12 -10.809   1.195   1.049
   90    H    HIS  13           H        HIS  13  -5.896  -1.423   0.513
   91    HA   HIS  13           HA       HIS  13  -6.570  -4.107   1.063
   92    HB2  HIS  13           HB2      HIS  13  -3.876  -2.954   0.253
   93    HB3  HIS  13           HB1      HIS  13  -4.310  -4.667   0.178
   94    HD1  HIS  13           HD1      HIS  13  -7.273  -4.155  -1.123
   95    HD2  HIS  13           HD2      HIS  13  -3.574  -2.595  -2.358
   96    HE1  HIS  13           HE1      HIS  13  -7.547  -3.483  -3.563
   97    H    HIS  14           H        HIS  14  -4.724  -1.816   3.004
   98    HA   HIS  14           HA       HIS  14  -3.804  -3.955   4.820
   99    HB2  HIS  14           HB2      HIS  14  -3.581  -0.949   4.964
  100    HB3  HIS  14           HB1      HIS  14  -2.903  -2.064   6.150
  101    HD1  HIS  14           HD1      HIS  14  -1.144  -3.992   4.883
  102    HD2  HIS  14           HD2      HIS  14  -1.903  -0.261   3.138
  103    HE1  HIS  14           HE1      HIS  14   0.755  -3.563   3.230
  104    H    GLN  15           H        GLN  15  -6.485  -1.567   4.565
  105    HA   GLN  15           HA       GLN  15  -7.312  -1.838   7.252
  106    HB2  GLN  15           HB2      GLN  15  -8.084  -0.151   5.465
  107    HB3  GLN  15           HB1      GLN  15  -9.115  -1.447   4.866
  108    HG2  GLN  15           HG2      GLN  15 -10.469  -0.159   6.293
  109    HG3  GLN  15           HG1      GLN  15 -10.099  -1.630   7.198
  110   HE21  GLN  15          HE21      GLN  15  -8.498  -1.461   9.003
  111   HE22  GLN  15          HE22      GLN  15  -8.172   0.104   9.711
  112    H    LYS  16           H        LYS  16  -8.160  -3.601   4.246
  113    HA   LYS  16           HA       LYS  16  -8.301  -6.098   5.707
  114    HB2  LYS  16           HB2      LYS  16 -10.650  -5.062   5.858
  115    HB3  LYS  16           HB1      LYS  16 -10.726  -5.215   4.108
  116    HG2  LYS  16           HG2      LYS  16 -10.196  -7.699   4.415
  117    HG3  LYS  16           HG1      LYS  16 -10.370  -7.451   6.155
  118    HD2  LYS  16           HD2      LYS  16 -12.691  -6.772   5.875
  119    HD3  LYS  16           HD1      LYS  16 -12.527  -6.793   4.102
  120    HE2  LYS  16           HE2      LYS  16 -12.056  -9.188   4.122
  121    HE3  LYS  16           HE1      LYS  16 -12.119  -9.216   5.897
  122    HZ1  LYS  16           HZ1      LYS  16 -14.404  -8.571   5.754
  123    HZ2  LYS  16           HZ2      LYS  16 -14.341  -8.529   4.115
  124    HZ3  LYS  16           HZ3      LYS  16 -14.153  -9.962   4.906
  125    HN1  NH2  17           H2       NH2  17  -7.329  -7.584   2.659
  126    HN2  NH2  17           H1       NH2  17  -7.579  -7.745   4.385
  127    H1   ACE   0           H1       ACE   0   9.897   7.969  -6.684
  128    H2   ACE   0           H2       ACE   0   8.502   8.180  -7.765
  129    H3   ACE   0           H3       ACE   0   9.002   6.546  -7.266
  130    H    ASP   1           H        ASP   1  11.275   5.890  -7.897
  131    HA   ASP   1           HA       ASP   1  11.905   6.693 -10.651
  132    HB2  ASP   1           HB2      ASP   1  13.027   8.317  -8.964
  133    HB3  ASP   1           HB1      ASP   1  13.991   6.913  -8.467
  134    H    ALA   2           H        ALA   2  13.058   5.129 -11.719
  135    HA   ALA   2           HA       ALA   2  12.682   2.463 -11.104
  136    HB1  ALA   2           HB1      ALA   2  13.100   3.359 -13.350
  137    HB2  ALA   2           HB2      ALA   2  14.781   3.746 -12.896
  138    HB3  ALA   2           HB3      ALA   2  14.247   2.057 -12.972
  139    H    GLU   3           H        GLU   3  15.363   4.436  -9.921
  140    HA   GLU   3           HA       GLU   3  17.271   2.372  -9.531
  141    HB2  GLU   3           HB2      GLU   3  16.877   4.818  -7.760
  142    HB3  GLU   3           HB1      GLU   3  18.345   3.848  -7.982
  143    HG2  GLU   3           HG2      GLU   3  18.186   4.516 -10.486
  144    HG3  GLU   3           HG1      GLU   3  16.978   5.673  -9.936
  145    H    PHE   4           H        PHE   4  14.607   3.534  -7.472
  146    HA   PHE   4           HA       PHE   4  15.105   1.273  -5.591
  147    HB2  PHE   4           HB2      PHE   4  14.667   2.674  -3.786
  148    HB3  PHE   4           HB1      PHE   4  15.728   3.606  -4.828
  149    HD1  PHE   4           HD2      PHE   4  14.523   5.252  -6.521
  150    HD2  PHE   4           HD1      PHE   4  12.650   3.575  -3.029
  151    HE1  PHE   4           HE2      PHE   4  12.811   7.059  -6.561
  152    HE2  PHE   4           HE1      PHE   4  10.990   5.438  -3.033
  153    HZ   PHE   4           HZ       PHE   4  11.051   7.141  -4.830
  154    H    ARG   5           H        ARG   5  12.841   2.574  -7.754
  155    HA   ARG   5           HA       ARG   5  10.486   1.314  -6.545
  156    HB2  ARG   5           HB2      ARG   5  11.037   2.683  -9.188
  157    HB3  ARG   5           HB1      ARG   5   9.516   1.876  -8.835
  158    HG2  ARG   5           HG2      ARG   5  10.683   4.254  -7.325
  159    HG3  ARG   5           HG1      ARG   5   9.326   4.269  -8.447
  160    HD2  ARG   5           HD2      ARG   5   9.483   3.032  -5.708
  161    HD3  ARG   5           HD1      ARG   5   8.441   4.356  -6.195
  162    HE   ARG   5           HE       ARG   5   8.118   1.470  -6.656
  163   HH11  ARG   5          2HH1      ARG   5   6.735   4.659  -7.422
  164   HH12  ARG   5          2HH2      ARG   5   5.373   3.955  -8.260
  165   HH21  ARG   5          1HH1      ARG   5   6.405   0.639  -7.770
  166   HH22  ARG   5          1HH2      ARG   5   5.180   1.687  -8.445
  167    H    ARG   6           H        ARG   6  11.536  -0.600  -6.169
  168    HA   ARG   6           HA       ARG   6  12.426  -2.263  -8.426
  169    HB2  ARG   6           HB2      ARG   6  13.259  -1.840  -5.537
  170    HB3  ARG   6           HB1      ARG   6  13.859  -3.208  -6.485
  171    HG2  ARG   6           HG2      ARG   6  14.113  -0.359  -7.488
  172    HG3  ARG   6           HG1      ARG   6  15.295  -1.063  -6.376
  173    HD2  ARG   6           HD2      ARG   6  15.982  -2.706  -7.851
  174    HD3  ARG   6           HD1      ARG   6  14.535  -2.584  -8.876
  175    HE   ARG   6           HE       ARG   6  15.528  -0.155  -9.217
  176   HH11  ARG   6          1HH2      ARG   6  17.167  -3.303  -9.424
  177   HH12  ARG   6          1HH1      ARG   6  18.345  -2.732 -10.581
  178   HH21  ARG   6          2HH1      ARG   6  17.077   0.538 -10.710
  179   HH22  ARG   6          2HH2      ARG   6  18.292  -0.567 -11.304
  180    H    ASP   7           H        ASP   7  12.399  -4.598  -8.041
  181    HA   ASP   7           HA       ASP   7  10.028  -5.770  -6.878
  182    HB2  ASP   7           HB2      ASP   7  11.058  -7.836  -7.507
  183    HB3  ASP   7           HB1      ASP   7  11.395  -6.687  -8.807
  184    H    SER   8           H        SER   8  13.048  -4.742  -5.710
  185    HA   SER   8           HA       SER   8  13.946  -6.649  -4.056
  186    HB2  SER   8           HB2      SER   8  14.286  -3.640  -3.905
  187    HB3  SER   8           HB1      SER   8  15.350  -4.813  -3.102
  188    HG   SER   8           HG       SER   8  16.158  -4.213  -5.125
  189    H    GLY   9           H        GLY   9  11.081  -5.045  -3.193
  190    HA2  GLY   9           HA2      GLY   9  11.384  -6.000  -0.392
  191    HA3  GLY   9           HA1      GLY   9  10.657  -4.434  -0.743
  192    H    TYR  10           H        TYR  10   7.625  -5.900  -2.110
  193    HA   TYR  10           HA       TYR  10   8.714  -3.744  -0.583
  194    HB2  TYR  10           HB2      TYR  10   9.296  -3.966  -3.441
  195    HB3  TYR  10           HB1      TYR  10   8.183  -2.655  -3.203
  196    HD1  TYR  10           HD1      TYR  10   9.073  -1.590  -0.517
  197    HD2  TYR  10           HD2      TYR  10  11.306  -2.911  -3.941
  198    HE1  TYR  10           HE1      TYR  10  10.970  -0.189   0.195
  199    HE2  TYR  10           HE2      TYR  10  13.185  -1.487  -3.273
  200    HH   TYR  10           HH       TYR  10  14.003   0.010  -1.736
  201    H    GLU  11           H        GLU  11   7.369  -2.029  -0.370
  202    HA   GLU  11           HA       GLU  11   5.371  -1.612  -2.324
  203    HB2  GLU  11           HB2      GLU  11   4.174  -2.955  -0.441
  204    HB3  GLU  11           HB1      GLU  11   4.406  -1.514   0.533
  205    HG2  GLU  11           HG2      GLU  11   3.357  -0.347  -1.676
  206    HG3  GLU  11           HG1      GLU  11   2.661  -1.961  -1.879
  207    H    VAL  12           H        VAL  12   7.133  -0.170  -2.668
  208    HA   VAL  12           HA       VAL  12   8.819   1.029  -1.073
  209    HB   VAL  12           HB       VAL  12   7.687   2.149  -3.653
  210   HG11  VAL  12          HG11      VAL  12  10.134   3.023  -2.053
  211   HG12  VAL  12          HG12      VAL  12   9.938   3.368  -3.764
  212   HG13  VAL  12          HG13      VAL  12   8.784   4.043  -2.621
  213   HG21  VAL  12          HG21      VAL  12   8.857  -0.124  -3.669
  214   HG22  VAL  12          HG22      VAL  12   9.610   1.110  -4.668
  215   HG23  VAL  12          HG23      VAL  12  10.314   0.710  -3.095
  216    H    HIS  13           H        HIS  13   5.680   2.590  -1.825
  217    HA   HIS  13           HA       HIS  13   6.423   5.096  -0.903
  218    HB2  HIS  13           HB2      HIS  13   4.390   4.482  -2.274
  219    HB3  HIS  13           HB1      HIS  13   3.591   3.986  -0.781
  220    HD1  HIS  13           HD1      HIS  13   3.190   6.056   1.036
  221    HD2  HIS  13           HD2      HIS  13   4.642   7.131  -2.747
  222    HE1  HIS  13           HE1      HIS  13   2.999   8.582   0.871
  223    H    HIS  14           H        HIS  14   5.603   2.294   1.082
  224    HA   HIS  14           HA       HIS  14   6.366   3.874   3.385
  225    HB2  HIS  14           HB2      HIS  14   4.437   3.632   4.733
  226    HB3  HIS  14           HB1      HIS  14   3.919   4.336   3.224
  227    HD1  HIS  14           HD1      HIS  14   3.135   1.550   5.527
  228    HD2  HIS  14           HD2      HIS  14   2.709   2.403   1.436
  229    HE1  HIS  14           HE1      HIS  14   1.349  -0.034   4.637
  230    H    GLN  15           H        GLN  15   6.563   0.938   1.789
  231    HA   GLN  15           HA       GLN  15   7.273  -0.457   4.301
  232    HB2  GLN  15           HB2      GLN  15   6.147  -1.747   1.808
  233    HB3  GLN  15           HB1      GLN  15   6.580  -2.532   3.311
  234    HG2  GLN  15           HG2      GLN  15   4.840  -1.035   4.461
  235    HG3  GLN  15           HG1      GLN  15   4.250  -0.641   2.844
  236   HE21  GLN  15          HE22      GLN  15   2.981  -2.174   5.138
  237   HE22  GLN  15          HE21      GLN  15   2.553  -3.728   4.454
  238    H    LYS  16           H        LYS  16   8.815  -2.080   4.109
  239    HA   LYS  16           HA       LYS  16  11.188  -1.055   2.883
  240    HB2  LYS  16           HB2      LYS  16  10.510  -3.342   4.771
  241    HB3  LYS  16           HB1      LYS  16  12.165  -2.947   4.303
  242    HG2  LYS  16           HG2      LYS  16  12.163  -0.880   5.417
  243    HG3  LYS  16           HG1      LYS  16  10.408  -0.751   5.427
  244    HD2  LYS  16           HD2      LYS  16  11.287  -1.193   7.661
  245    HD3  LYS  16           HD1      LYS  16  10.189  -2.463   7.117
  246    HE2  LYS  16           HE2      LYS  16  12.107  -3.916   6.606
  247    HE3  LYS  16           HE1      LYS  16  13.225  -2.616   7.063
  248    HZ1  LYS  16           HZ1      LYS  16  11.287  -3.936   8.823
  249    HZ2  LYS  16           HZ2      LYS  16  12.924  -4.095   8.870
  250    HZ3  LYS  16           HZ3      LYS  16  12.226  -2.657   9.255
  251    HN1  NH2  17           H2       NH2  17  12.260  -3.658   0.657
  252    HN2  NH2  17           H1       NH2  17  12.802  -2.379   1.721
  Start of MODEL   17
    1    H1   ACE   0           H1       ACE   0  -8.368  -5.190  -0.498
    2    H2   ACE   0           H2       ACE   0  -7.883  -5.957  -2.028
    3    H3   ACE   0           H3       ACE   0  -8.894  -4.497  -2.053
    4    H    ASP   1           H        ASP   1 -11.098  -4.657  -1.159
    5    HA   ASP   1           HA       ASP   1 -12.551  -6.899  -2.072
    6    HB2  ASP   1           HB2      ASP   1 -11.434  -7.538   0.377
    7    HB3  ASP   1           HB1      ASP   1 -12.931  -6.791   0.890
    8    H    ALA   2           H        ALA   2 -14.948  -6.517  -1.753
    9    HA   ALA   2           HA       ALA   2 -15.632  -3.813  -2.070
   10    HB1  ALA   2           HB1      ALA   2 -17.025  -5.594  -2.924
   11    HB2  ALA   2           HB2      ALA   2 -17.355  -6.192  -1.283
   12    HB3  ALA   2           HB3      ALA   2 -17.978  -4.620  -1.786
   13    H    GLU   3           H        GLU   3 -15.852  -5.855   0.850
   14    HA   GLU   3           HA       GLU   3 -17.030  -3.907   2.550
   15    HB2  GLU   3           HB2      GLU   3 -16.502  -5.504   4.328
   16    HB3  GLU   3           HB1      GLU   3 -17.164  -6.322   2.908
   17    HG2  GLU   3           HG2      GLU   3 -14.713  -6.758   2.211
   18    HG3  GLU   3           HG1      GLU   3 -14.268  -6.247   3.846
   19    H    PHE   4           H        PHE   4 -13.820  -4.017   1.383
   20    HA   PHE   4           HA       PHE   4 -12.954  -2.141   3.544
   21    HB2  PHE   4           HB2      PHE   4 -11.268  -3.572   1.489
   22    HB3  PHE   4           HB1      PHE   4 -10.709  -2.632   2.885
   23    HD1  PHE   4           HD1      PHE   4 -12.209  -3.579   5.144
   24    HD2  PHE   4           HD2      PHE   4 -10.786  -5.783   1.744
   25    HE1  PHE   4           HE1      PHE   4 -12.174  -5.655   6.509
   26    HE2  PHE   4           HE2      PHE   4 -10.812  -7.876   3.079
   27    HZ   PHE   4           HZ       PHE   4 -11.473  -7.815   5.452
   28    H    ARG   5           H        ARG   5 -13.697  -2.456   0.150
   29    HA   ARG   5           HA       ARG   5 -12.753   0.189  -0.605
   30    HB2  ARG   5           HB2      ARG   5 -14.494  -1.896  -1.951
   31    HB3  ARG   5           HB1      ARG   5 -14.170  -0.322  -2.650
   32    HG2  ARG   5           HG2      ARG   5 -12.133  -2.511  -2.146
   33    HG3  ARG   5           HG1      ARG   5 -12.715  -1.871  -3.679
   34    HD2  ARG   5           HD2      ARG   5 -10.885  -0.505  -1.724
   35    HD3  ARG   5           HD1      ARG   5 -10.546  -1.058  -3.366
   36    HE   ARG   5           HE       ARG   5 -12.624   1.010  -2.882
   37   HH11  ARG   5          1HH1      ARG   5  -9.447   0.277  -4.306
   38   HH12  ARG   5          1HH2      ARG   5  -9.417   1.772  -5.211
   39   HH21  ARG   5          2HH2      ARG   5 -12.518   2.903  -4.034
   40   HH22  ARG   5          2HH1      ARG   5 -11.143   3.253  -5.057
   41    H    ARG   6           H        ARG   6 -14.077   0.301   1.733
   42    HA   ARG   6           HA       ARG   6 -16.792   1.174   1.595
   43    HB2  ARG   6           HB2      ARG   6 -14.553   1.628   3.588
   44    HB3  ARG   6           HB1      ARG   6 -16.256   1.918   3.908
   45    HG2  ARG   6           HG2      ARG   6 -14.997  -0.776   3.333
   46    HG3  ARG   6           HG1      ARG   6 -15.421  -0.164   4.921
   47    HD2  ARG   6           HD2      ARG   6 -17.163  -1.612   4.404
   48    HD3  ARG   6           HD1      ARG   6 -17.820   0.009   4.126
   49    HE   ARG   6           HE       ARG   6 -16.681  -1.426   1.803
   50   HH11  ARG   6          2HH2      ARG   6 -19.647  -0.739   3.637
   51   HH12  ARG   6          2HH1      ARG   6 -20.682  -0.989   2.252
   52   HH21  ARG   6          1HH2      ARG   6 -18.073  -1.705   0.031
   53   HH22  ARG   6          1HH1      ARG   6 -19.802  -1.542   0.242
   54    H    ASP   7           H        ASP   7 -17.078   3.515   2.648
   55    HA   ASP   7           HA       ASP   7 -16.996   5.086   0.458
   56    HB2  ASP   7           HB2      ASP   7 -18.524   5.288   2.376
   57    HB3  ASP   7           HB1      ASP   7 -17.221   5.983   3.357
   58    H    SER   8           H        SER   8 -14.665   5.441   3.205
   59    HA   SER   8           HA       SER   8 -13.003   7.286   1.596
   60    HB2  SER   8           HB2      SER   8 -14.386   7.762   4.263
   61    HB3  SER   8           HB1      SER   8 -12.964   8.693   3.747
   62    HG   SER   8           HG       SER   8 -15.449   8.480   2.407
   63    H    GLY   9           H        GLY   9 -10.847   7.449   2.249
   64    HA2  GLY   9           HA2      GLY   9  -9.658   6.796   4.657
   65    HA3  GLY   9           HA1      GLY   9  -9.668   5.324   3.718
   66    H    TYR  10           H        TYR  10  -7.094   6.606   1.536
   67    HA   TYR  10           HA       TYR  10  -7.427   4.557   3.484
   68    HB2  TYR  10           HB2      TYR  10  -9.319   4.629   1.295
   69    HB3  TYR  10           HB1      TYR  10  -8.173   3.378   0.934
   70    HD1  TYR  10           HD1      TYR  10  -7.499   2.158   3.532
   71    HD2  TYR  10           HD2      TYR  10 -11.252   3.715   2.117
   72    HE1  TYR  10           HE1      TYR  10  -8.676   0.740   5.143
   73    HE2  TYR  10           HE2      TYR  10 -12.453   2.213   3.661
   74    HH   TYR  10           HH       TYR  10 -12.268   0.648   5.339
   75    H    GLU  11           H        GLU  11  -5.933   2.912   3.131
   76    HA   GLU  11           HA       GLU  11  -5.142   2.506   0.384
   77    HB2  GLU  11           HB2      GLU  11  -3.154   3.568   1.606
   78    HB3  GLU  11           HB1      GLU  11  -3.088   2.084   2.565
   79    HG2  GLU  11           HG2      GLU  11  -3.190   0.892   0.205
   80    HG3  GLU  11           HG1      GLU  11  -2.694   2.464  -0.431
   81    H    VAL  12           H        VAL  12  -6.774   1.012   0.369
   82    HA   VAL  12           HA       VAL  12  -7.595  -0.699   2.389
   83    HB   VAL  12           HB       VAL  12  -8.001  -0.572  -0.604
   84   HG11  VAL  12          HG11      VAL  12  -9.201  -2.625   1.270
   85   HG12  VAL  12          HG12      VAL  12  -9.928  -2.191  -0.299
   86   HG13  VAL  12          HG13      VAL  12  -8.322  -2.919  -0.228
   87   HG21  VAL  12          HG21      VAL  12  -9.704  -0.094   1.869
   88   HG22  VAL  12          HG22      VAL  12  -9.014   1.140   0.791
   89   HG23  VAL  12          HG23      VAL  12 -10.289   0.079   0.199
   90    H    HIS  13           H        HIS  13  -4.899  -1.120   0.293
   91    HA   HIS  13           HA       HIS  13  -4.649  -3.899   0.281
   92    HB2  HIS  13           HB2      HIS  13  -3.282  -2.593  -1.130
   93    HB3  HIS  13           HB1      HIS  13  -2.835  -1.490   0.167
   94    HD1  HIS  13           HD1      HIS  13  -0.332  -1.574   0.215
   95    HD2  HIS  13           HD2      HIS  13  -2.135  -5.361   0.019
   96    HE1  HIS  13           HE1      HIS  13   1.548  -3.274   0.361
   97    H    HIS  14           H        HIS  14  -3.807  -1.495   2.815
   98    HA   HIS  14           HA       HIS  14  -2.761  -3.619   4.560
   99    HB2  HIS  14           HB2      HIS  14  -3.184  -0.651   5.013
  100    HB3  HIS  14           HB1      HIS  14  -2.405  -1.761   6.148
  101    HD1  HIS  14           HD1      HIS  14  -0.412  -3.342   4.446
  102    HD2  HIS  14           HD2      HIS  14  -1.433   0.647   3.647
  103    HE1  HIS  14           HE1      HIS  14   1.363  -2.442   2.850
  104    H    GLN  15           H        GLN  15  -5.929  -2.209   3.902
  105    HA   GLN  15           HA       GLN  15  -7.010  -2.771   6.473
  106    HB2  GLN  15           HB2      GLN  15  -7.921  -1.246   4.602
  107    HB3  GLN  15           HB1      GLN  15  -8.505  -2.727   3.855
  108    HG2  GLN  15           HG2      GLN  15 -10.305  -1.827   5.153
  109    HG3  GLN  15           HG1      GLN  15  -9.744  -3.289   5.945
  110   HE21  GLN  15          HE21      GLN  15 -11.021  -2.212   7.764
  111   HE22  GLN  15          HE22      GLN  15 -10.132  -1.141   8.821
  112    H    LYS  16           H        LYS  16  -6.821  -4.610   3.399
  113    HA   LYS  16           HA       LYS  16  -8.069  -6.967   4.624
  114    HB2  LYS  16           HB2      LYS  16  -8.416  -6.334   2.266
  115    HB3  LYS  16           HB1      LYS  16  -6.697  -6.551   1.946
  116    HG2  LYS  16           HG2      LYS  16  -6.835  -8.919   2.463
  117    HG3  LYS  16           HG1      LYS  16  -8.506  -8.747   3.057
  118    HD2  LYS  16           HD2      LYS  16  -9.167  -8.013   0.759
  119    HD3  LYS  16           HD1      LYS  16  -7.532  -8.399   0.189
  120    HE2  LYS  16           HE2      LYS  16  -9.602 -10.291   1.359
  121    HE3  LYS  16           HE1      LYS  16  -9.038 -10.249  -0.317
  122    HZ1  LYS  16           HZ1      LYS  16  -6.866 -10.898   0.506
  123    HZ2  LYS  16           HZ2      LYS  16  -7.440 -10.950   2.046
  124    HZ3  LYS  16           HZ3      LYS  16  -8.019 -12.003   0.931
  125    HN1  NH2  17           H2       NH2  17  -3.970  -7.023   4.909
  126    HN2  NH2  17           H1       NH2  17  -4.791  -5.635   4.222
  127    H1   ACE   0           H1       ACE   0  14.815   0.694 -14.507
  128    H2   ACE   0           H2       ACE   0  14.800   2.460 -14.661
  129    H3   ACE   0           H3       ACE   0  16.336   1.574 -14.760
  130    H    ASP   1           H        ASP   1  13.558   2.127 -12.525
  131    HA   ASP   1           HA       ASP   1  15.269   2.714 -10.261
  132    HB2  ASP   1           HB2      ASP   1  12.279   2.269 -10.647
  133    HB3  ASP   1           HB1      ASP   1  13.000   2.603  -9.076
  134    H    ALA   2           H        ALA   2  14.160  -0.181 -11.612
  135    HA   ALA   2           HA       ALA   2  13.236  -1.922  -9.906
  136    HB1  ALA   2           HB1      ALA   2  14.699  -3.648 -11.120
  137    HB2  ALA   2           HB2      ALA   2  13.741  -2.542 -12.132
  138    HB3  ALA   2           HB3      ALA   2  15.482  -2.268 -11.904
  139    H    GLU   3           H        GLU   3  16.710  -1.060  -9.779
  140    HA   GLU   3           HA       GLU   3  17.626  -3.036  -8.059
  141    HB2  GLU   3           HB2      GLU   3  19.440  -1.462  -7.543
  142    HB3  GLU   3           HB1      GLU   3  19.085  -1.567  -9.267
  143    HG2  GLU   3           HG2      GLU   3  17.671   0.543  -9.018
  144    HG3  GLU   3           HG1      GLU   3  18.296   0.678  -7.362
  145    H    PHE   4           H        PHE   4  15.846  -0.061  -7.129
  146    HA   PHE   4           HA       PHE   4  15.807  -1.136  -4.342
  147    HB2  PHE   4           HB2      PHE   4  15.599   1.038  -3.521
  148    HB3  PHE   4           HB1      PHE   4  16.937   1.071  -4.661
  149    HD1  PHE   4           HD1      PHE   4  13.434   2.014  -4.076
  150    HD2  PHE   4           HD2      PHE   4  16.736   2.274  -6.790
  151    HE1  PHE   4           HE1      PHE   4  12.280   3.864  -5.281
  152    HE2  PHE   4           HE2      PHE   4  15.612   4.134  -8.004
  153    HZ   PHE   4           HZ       PHE   4  13.359   4.913  -7.256
  154    H    ARG   5           H        ARG   5  13.902  -0.174  -7.153
  155    HA   ARG   5           HA       ARG   5  11.364  -0.841  -5.826
  156    HB2  ARG   5           HB2      ARG   5  12.184  -0.155  -8.653
  157    HB3  ARG   5           HB1      ARG   5  10.585  -0.791  -8.284
  158    HG2  ARG   5           HG2      ARG   5  11.784   1.776  -7.174
  159    HG3  ARG   5           HG1      ARG   5  10.553   1.639  -8.422
  160    HD2  ARG   5           HD2      ARG   5  10.284   0.959  -5.477
  161    HD3  ARG   5           HD1      ARG   5   9.455   2.232  -6.342
  162    HE   ARG   5           HE       ARG   5   8.830  -0.629  -6.324
  163   HH11  ARG   5          2HH1      ARG   5   8.117   2.493  -7.885
  164   HH12  ARG   5          2HH2      ARG   5   6.630   1.903  -8.586
  165   HH21  ARG   5          1HH1      ARG   5   6.880  -1.310  -7.236
  166   HH22  ARG   5          1HH2      ARG   5   5.945  -0.217  -8.228
  167    H    ARG   6           H        ARG   6  12.727  -2.655  -4.999
  168    HA   ARG   6           HA       ARG   6  13.343  -4.938  -6.569
  169    HB2  ARG   6           HB2      ARG   6  13.021  -4.238  -3.640
  170    HB3  ARG   6           HB1      ARG   6  13.514  -5.863  -4.126
  171    HG2  ARG   6           HG2      ARG   6  15.013  -3.288  -4.802
  172    HG3  ARG   6           HG1      ARG   6  15.302  -4.267  -3.375
  173    HD2  ARG   6           HD2      ARG   6  16.963  -5.009  -4.820
  174    HD3  ARG   6           HD1      ARG   6  15.710  -6.246  -4.973
  175    HE   ARG   6           HE       ARG   6  15.426  -4.140  -6.919
  176   HH11  ARG   6          2HH1      ARG   6  17.318  -7.074  -6.263
  177   HH12  ARG   6          2HH2      ARG   6  17.650  -7.350  -7.958
  178   HH21  ARG   6          1HH2      ARG   6  15.858  -4.552  -9.080
  179   HH22  ARG   6          1HH1      ARG   6  16.831  -5.929  -9.544
  180    H    ASP   7           H        ASP   7  12.019  -6.661  -7.115
  181    HA   ASP   7           HA       ASP   7   9.218  -6.742  -6.396
  182    HB2  ASP   7           HB2      ASP   7  11.092  -8.830  -7.592
  183    HB3  ASP   7           HB1      ASP   7   9.349  -9.052  -7.387
  184    H    SER   8           H        SER   8  12.153  -7.847  -4.830
  185    HA   SER   8           HA       SER   8  11.203 -10.006  -3.365
  186    HB2  SER   8           HB2      SER   8  13.438  -8.011  -2.961
  187    HB3  SER   8           HB1      SER   8  13.161  -9.339  -1.817
  188    HG   SER   8           HG       SER   8  14.617  -9.923  -3.460
  189    H    GLY   9           H        GLY   9  10.113  -6.754  -2.919
  190    HA2  GLY   9           HA2      GLY   9   9.062  -7.509  -0.228
  191    HA3  GLY   9           HA1      GLY   9   9.350  -5.844  -0.728
  192    H    TYR  10           H        TYR  10   6.326  -5.787  -2.681
  193    HA   TYR  10           HA       TYR  10   7.625  -4.453  -0.492
  194    HB2  TYR  10           HB2      TYR  10   8.954  -4.617  -3.027
  195    HB3  TYR  10           HB1      TYR  10   8.298  -3.023  -2.937
  196    HD1  TYR  10           HD1      TYR  10   8.659  -2.075  -0.213
  197    HD2  TYR  10           HD2      TYR  10  11.163  -4.709  -2.508
  198    HE1  TYR  10           HE1      TYR  10  10.617  -1.364   1.105
  199    HE2  TYR  10           HE2      TYR  10  13.125  -4.003  -1.193
  200    HH   TYR  10           HH       TYR  10  12.864  -1.620   1.474
  201    H    GLU  11           H        GLU  11   6.951  -2.301  -0.303
  202    HA   GLU  11           HA       GLU  11   5.427  -1.081  -2.439
  203    HB2  GLU  11           HB2      GLU  11   3.739  -2.123  -0.847
  204    HB3  GLU  11           HB1      GLU  11   4.394  -1.083   0.417
  205    HG2  GLU  11           HG2      GLU  11   3.921   0.876  -1.246
  206    HG3  GLU  11           HG1      GLU  11   2.940  -0.299  -2.134
  207    H    VAL  12           H        VAL  12   7.597  -0.279  -2.556
  208    HA   VAL  12           HA       VAL  12   9.295   0.556  -0.630
  209    HB   VAL  12           HB       VAL  12   8.956   1.267  -3.535
  210   HG11  VAL  12          HG11      VAL  12  11.188   2.251  -1.732
  211   HG12  VAL  12          HG12      VAL  12  11.258   2.220  -3.512
  212   HG13  VAL  12          HG13      VAL  12  10.080   3.245  -2.698
  213   HG21  VAL  12          HG21      VAL  12   9.696  -1.016  -2.878
  214   HG22  VAL  12          HG22      VAL  12  10.968  -0.143  -3.722
  215   HG23  VAL  12          HG23      VAL  12  11.051  -0.312  -1.960
  216    H    HIS  13           H        HIS  13   6.597   2.490  -1.892
  217    HA   HIS  13           HA       HIS  13   7.602   4.988  -1.155
  218    HB2  HIS  13           HB2      HIS  13   5.700   4.638  -2.684
  219    HB3  HIS  13           HB1      HIS  13   4.713   4.037  -1.348
  220    HD1  HIS  13           HD1      HIS  13   6.507   7.337  -2.364
  221    HD2  HIS  13           HD2      HIS  13   3.430   5.840   0.063
  222    HE1  HIS  13           HE1      HIS  13   5.326   9.364  -1.362
  223    H    HIS  14           H        HIS  14   6.349   2.489   0.992
  224    HA   HIS  14           HA       HIS  14   7.149   4.138   3.161
  225    HB2  HIS  14           HB2      HIS  14   5.183   4.563   4.356
  226    HB3  HIS  14           HB1      HIS  14   4.862   5.132   2.738
  227    HD1  HIS  14           HD1      HIS  14   3.104   3.454   5.296
  228    HD2  HIS  14           HD2      HIS  14   3.623   2.821   1.174
  229    HE1  HIS  14           HE1      HIS  14   1.143   2.030   4.524
  230    H    GLN  15           H        GLN  15   6.321   1.007   1.995
  231    HA   GLN  15           HA       GLN  15   6.653  -0.147   4.705
  232    HB2  GLN  15           HB2      GLN  15   5.687  -1.453   2.164
  233    HB3  GLN  15           HB1      GLN  15   5.667  -2.159   3.773
  234    HG2  GLN  15           HG2      GLN  15   3.960   0.187   2.846
  235    HG3  GLN  15           HG1      GLN  15   3.433  -1.476   2.982
  236   HE21  GLN  15          HE22      GLN  15   1.727  -0.522   4.444
  237   HE22  GLN  15          HE21      GLN  15   2.143  -0.288   6.125
  238    H    LYS  16           H        LYS  16   8.059  -1.846   5.022
  239    HA   LYS  16           HA       LYS  16  10.552  -1.634   3.581
  240    HB2  LYS  16           HB2      LYS  16   9.758  -3.627   5.739
  241    HB3  LYS  16           HB1      LYS  16  11.385  -3.230   5.193
  242    HG2  LYS  16           HG2      LYS  16  10.984  -0.854   5.972
  243    HG3  LYS  16           HG1      LYS  16   9.458  -1.417   6.704
  244    HD2  LYS  16           HD2      LYS  16  10.731  -3.046   8.085
  245    HD3  LYS  16           HD1      LYS  16  12.225  -2.554   7.281
  246    HE2  LYS  16           HE2      LYS  16  12.260  -1.416   9.333
  247    HE3  LYS  16           HE1      LYS  16  11.806  -0.198   8.129
  248    HZ1  LYS  16           HZ1      LYS  16   9.512  -0.559   8.793
  249    HZ2  LYS  16           HZ2      LYS  16   9.996  -1.636   9.936
  250    HZ3  LYS  16           HZ3      LYS  16  10.440  -0.057  10.062
  251    HN1  NH2  17           H2       NH2  17   8.528  -4.809   2.036
  252    HN2  NH2  17           H1       NH2  17   7.729  -3.586   3.003
  Start of MODEL   18
    1    H1   ACE   0           H1       ACE   0 -11.851  -3.232  -3.847
    2    H2   ACE   0           H2       ACE   0 -12.372  -4.937  -3.908
    3    H3   ACE   0           H3       ACE   0 -11.557  -4.212  -5.302
    4    H    ASP   1           H        ASP   1 -14.346  -3.300  -3.174
    5    HA   ASP   1           HA       ASP   1 -15.981  -2.825  -5.613
    6    HB2  ASP   1           HB2      ASP   1 -16.352  -5.024  -4.358
    7    HB3  ASP   1           HB1      ASP   1 -16.974  -4.039  -3.023
    8    H    ALA   2           H        ALA   2 -17.749  -1.377  -5.341
    9    HA   ALA   2           HA       ALA   2 -16.882   1.077  -4.913
   10    HB1  ALA   2           HB1      ALA   2 -19.238   1.833  -4.998
   11    HB2  ALA   2           HB2      ALA   2 -18.902   0.522  -6.141
   12    HB3  ALA   2           HB3      ALA   2 -19.779   0.182  -4.637
   13    H    GLU   3           H        GLU   3 -18.985  -0.499  -2.477
   14    HA   GLU   3           HA       GLU   3 -19.271   1.660  -0.756
   15    HB2  GLU   3           HB2      GLU   3 -20.141   0.013   0.800
   16    HB3  GLU   3           HB1      GLU   3 -20.634  -0.404  -0.842
   17    HG2  GLU   3           HG2      GLU   3 -18.622  -1.990  -0.915
   18    HG3  GLU   3           HG1      GLU   3 -18.400  -1.664   0.818
   19    H    PHE   4           H        PHE   4 -16.397  -0.278  -1.044
   20    HA   PHE   4           HA       PHE   4 -15.275   1.182   1.283
   21    HB2  PHE   4           HB2      PHE   4 -13.976  -0.717   1.877
   22    HB3  PHE   4           HB1      PHE   4 -15.675  -1.172   1.856
   23    HD1  PHE   4           HD2      PHE   4 -12.459  -1.416   0.025
   24    HD2  PHE   4           HD1      PHE   4 -16.511  -2.802   0.291
   25    HE1  PHE   4           HE2      PHE   4 -11.897  -3.338  -1.425
   26    HE2  PHE   4           HE1      PHE   4 -15.934  -4.779  -1.107
   27    HZ   PHE   4           HZ       PHE   4 -13.625  -5.065  -1.945
   28    H    ARG   5           H        ARG   5 -15.182   0.651  -2.061
   29    HA   ARG   5           HA       ARG   5 -12.506   1.830  -2.304
   30    HB2  ARG   5           HB2      ARG   5 -14.680   1.157  -4.312
   31    HB3  ARG   5           HB1      ARG   5 -13.231   2.061  -4.731
   32    HG2  ARG   5           HG2      ARG   5 -13.362  -0.804  -3.734
   33    HG3  ARG   5           HG1      ARG   5 -12.859  -0.232  -5.322
   34    HD2  ARG   5           HD2      ARG   5 -11.382   0.005  -2.697
   35    HD3  ARG   5           HD1      ARG   5 -10.903  -0.869  -4.154
   36    HE   ARG   5           HE       ARG   5 -11.272   2.014  -4.502
   37   HH11  ARG   5          1HH1      ARG   5  -8.823  -0.473  -3.752
   38   HH12  ARG   5          1HH2      ARG   5  -7.512   0.540  -4.312
   39   HH21  ARG   5          2HH2      ARG   5  -9.560   3.225  -5.237
   40   HH22  ARG   5          2HH1      ARG   5  -7.929   2.600  -5.166
   41    H    ARG   6           H        ARG   6 -13.737   3.139  -0.455
   42    HA   ARG   6           HA       ARG   6 -15.332   5.387  -1.425
   43    HB2  ARG   6           HB2      ARG   6 -14.404   4.449   1.305
   44    HB3  ARG   6           HB1      ARG   6 -15.460   5.847   1.053
   45    HG2  ARG   6           HG2      ARG   6 -16.156   3.022   0.165
   46    HG3  ARG   6           HG1      ARG   6 -16.484   3.648   1.774
   47    HD2  ARG   6           HD2      ARG   6 -18.497   3.959   0.848
   48    HD3  ARG   6           HD1      ARG   6 -17.791   5.545   0.538
   49    HE   ARG   6           HE       ARG   6 -17.367   3.694  -1.651
   50   HH11  ARG   6          2HH1      ARG   6 -19.978   5.557  -0.102
   51   HH12  ARG   6          2HH2      ARG   6 -20.995   5.500  -1.521
   52   HH21  ARG   6          1HH2      ARG   6 -18.714   3.704  -3.486
   53   HH22  ARG   6          1HH1      ARG   6 -20.288   4.458  -3.416
   54    H    ASP   7           H        ASP   7 -14.728   7.574  -0.744
   55    HA   ASP   7           HA       ASP   7 -11.963   8.220  -1.227
   56    HB2  ASP   7           HB2      ASP   7 -12.726  10.465  -1.004
   57    HB3  ASP   7           HB1      ASP   7 -13.860   9.558  -2.002
   58    H    SER   8           H        SER   8 -13.836   7.712   1.694
   59    HA   SER   8           HA       SER   8 -12.561   9.522   3.328
   60    HB2  SER   8           HB2      SER   8 -14.024   6.974   4.082
   61    HB3  SER   8           HB1      SER   8 -13.622   8.283   5.211
   62    HG   SER   8           HG       SER   8 -15.711   8.512   4.408
   63    H    GLY   9           H        GLY   9 -10.693   7.054   2.105
   64    HA2  GLY   9           HA2      GLY   9  -9.069   6.843   4.600
   65    HA3  GLY   9           HA1      GLY   9  -9.291   5.535   3.445
   66    H    TYR  10           H        TYR  10  -6.625   6.873   1.456
   67    HA   TYR  10           HA       TYR  10  -7.352   4.676   3.221
   68    HB2  TYR  10           HB2      TYR  10  -8.663   5.244   0.687
   69    HB3  TYR  10           HB1      TYR  10  -7.648   3.863   0.451
   70    HD1  TYR  10           HD1      TYR  10  -7.844   2.219   2.851
   71    HD2  TYR  10           HD2      TYR  10 -10.820   4.705   1.021
   72    HE1  TYR  10           HE1      TYR  10  -9.591   0.680   3.629
   73    HE2  TYR  10           HE2      TYR  10 -12.596   3.170   1.800
   74    HH   TYR  10           HH       TYR  10 -11.857   0.190   3.655
   75    H    GLU  11           H        GLU  11  -6.127   2.882   2.944
   76    HA   GLU  11           HA       GLU  11  -5.036   2.560   0.336
   77    HB2  GLU  11           HB2      GLU  11  -3.019   3.136   1.766
   78    HB3  GLU  11           HB1      GLU  11  -3.366   1.688   2.716
   79    HG2  GLU  11           HG2      GLU  11  -3.337   0.448   0.426
   80    HG3  GLU  11           HG1      GLU  11  -2.559   1.908  -0.210
   81    H    VAL  12           H        VAL  12  -6.709   1.256  -0.098
   82    HA   VAL  12           HA       VAL  12  -8.232  -0.266   1.675
   83    HB   VAL  12           HB       VAL  12  -7.867  -0.418  -1.340
   84   HG11  VAL  12          HG11      VAL  12  -8.853  -2.550  -0.674
   85   HG12  VAL  12          HG12      VAL  12 -10.021  -1.713   0.376
   86   HG13  VAL  12          HG13      VAL  12 -10.110  -1.537  -1.386
   87   HG21  VAL  12          HG21      VAL  12 -10.128   0.780   0.307
   88   HG22  VAL  12          HG22      VAL  12  -8.790   1.731  -0.364
   89   HG23  VAL  12          HG23      VAL  12  -9.895   0.898  -1.447
   90    H    HIS  13           H        HIS  13  -5.241  -1.051   0.033
   91    HA   HIS  13           HA       HIS  13  -5.409  -3.809  -0.003
   92    HB2  HIS  13           HB2      HIS  13  -3.663  -2.599  -1.204
   93    HB3  HIS  13           HB1      HIS  13  -3.030  -1.936   0.303
   94    HD1  HIS  13           HD1      HIS  13  -3.501  -5.492  -1.191
   95    HD2  HIS  13           HD2      HIS  13  -1.052  -3.244   1.369
   96    HE1  HIS  13           HE1      HIS  13  -1.648  -7.055  -0.401
   97    H    HIS  14           H        HIS  14  -4.381  -1.656   2.754
   98    HA   HIS  14           HA       HIS  14  -3.665  -4.044   4.292
   99    HB2  HIS  14           HB2      HIS  14  -3.768  -1.125   5.076
  100    HB3  HIS  14           HB1      HIS  14  -3.285  -2.450   6.144
  101    HD1  HIS  14           HD1      HIS  14  -1.093  -3.975   5.121
  102    HD2  HIS  14           HD2      HIS  14  -1.907  -0.175   3.574
  103    HE1  HIS  14           HE1      HIS  14   0.996  -3.260   3.837
  104    H    GLN  15           H        GLN  15  -6.462  -1.787   4.181
  105    HA   GLN  15           HA       GLN  15  -7.634  -2.828   6.557
  106    HB2  GLN  15           HB2      GLN  15  -8.886  -1.381   4.177
  107    HB3  GLN  15           HB1      GLN  15  -9.686  -1.715   5.716
  108    HG2  GLN  15           HG2      GLN  15  -7.295   0.094   5.282
  109    HG3  GLN  15           HG1      GLN  15  -8.923   0.570   5.786
  110   HE21  GLN  15          HE21      GLN  15  -9.688  -0.152   7.963
  111   HE22  GLN  15          HE22      GLN  15  -8.504  -0.508   9.202
  112    H    LYS  16           H        LYS  16  -7.963  -3.775   3.156
  113    HA   LYS  16           HA       LYS  16  -9.995  -5.782   3.937
  114    HB2  LYS  16           HB2      LYS  16  -9.118  -4.832   1.190
  115    HB3  LYS  16           HB1      LYS  16 -10.450  -5.933   1.550
  116    HG2  LYS  16           HG2      LYS  16 -10.278  -2.994   2.325
  117    HG3  LYS  16           HG1      LYS  16 -11.354  -3.747   1.155
  118    HD2  LYS  16           HD2      LYS  16 -12.360  -5.082   3.079
  119    HD3  LYS  16           HD1      LYS  16 -11.405  -4.075   4.185
  120    HE2  LYS  16           HE2      LYS  16 -12.448  -2.045   3.196
  121    HE3  LYS  16           HE1      LYS  16 -13.475  -3.099   2.202
  122    HZ1  LYS  16           HZ1      LYS  16 -14.553  -2.376   4.221
  123    HZ2  LYS  16           HZ2      LYS  16 -14.389  -4.016   4.186
  124    HZ3  LYS  16           HZ3      LYS  16 -13.395  -3.106   5.131
  125    HN1  NH2  17           H2       NH2  17  -6.428  -7.422   3.601
  126    HN2  NH2  17           H1       NH2  17  -6.730  -5.767   4.084
  127    H1   ACE   0           H1       ACE   0   8.265   1.748  -5.905
  128    H2   ACE   0           H2       ACE   0   7.681   3.398  -5.592
  129    H3   ACE   0           H3       ACE   0   7.250   2.572  -7.103
  130    H    ASP   1           H        ASP   1   9.529   4.640  -5.607
  131    HA   ASP   1           HA       ASP   1  10.853   5.214  -8.052
  132    HB2  ASP   1           HB2      ASP   1  11.759   5.859  -5.226
  133    HB3  ASP   1           HB1      ASP   1  12.265   6.675  -6.703
  134    H    ALA   2           H        ALA   2  12.955   4.842  -8.722
  135    HA   ALA   2           HA       ALA   2  13.805   2.219  -8.529
  136    HB1  ALA   2           HB1      ALA   2  15.768   2.990  -9.800
  137    HB2  ALA   2           HB2      ALA   2  14.282   3.756 -10.403
  138    HB3  ALA   2           HB3      ALA   2  15.399   4.675  -9.377
  139    H    GLU   3           H        GLU   3  15.131   5.061  -6.840
  140    HA   GLU   3           HA       GLU   3  17.305   3.898  -5.526
  141    HB2  GLU   3           HB2      GLU   3  17.175   5.891  -4.119
  142    HB3  GLU   3           HB1      GLU   3  16.857   6.297  -5.805
  143    HG2  GLU   3           HG2      GLU   3  14.330   6.078  -5.186
  144    HG3  GLU   3           HG1      GLU   3  14.895   6.087  -3.509
  145    H    PHE   4           H        PHE   4  13.910   3.424  -4.800
  146    HA   PHE   4           HA       PHE   4  14.652   2.072  -2.239
  147    HB2  PHE   4           HB2      PHE   4  12.025   3.128  -3.263
  148    HB3  PHE   4           HB1      PHE   4  12.243   2.311  -1.718
  149    HD1  PHE   4           HD1      PHE   4  14.351   3.417  -0.291
  150    HD2  PHE   4           HD2      PHE   4  11.881   5.403  -3.187
  151    HE1  PHE   4           HE1      PHE   4  14.852   5.606   0.776
  152    HE2  PHE   4           HE2      PHE   4  12.479   7.593  -2.209
  153    HZ   PHE   4           HZ       PHE   4  13.891   7.699  -0.172
  154    H    ARG   5           H        ARG   5  13.581   1.444  -5.495
  155    HA   ARG   5           HA       ARG   5  12.590  -1.251  -4.884
  156    HB2  ARG   5           HB2      ARG   5  13.256   0.199  -7.469
  157    HB3  ARG   5           HB1      ARG   5  12.683  -1.465  -7.397
  158    HG2  ARG   5           HG2      ARG   5  11.138   1.004  -6.564
  159    HG3  ARG   5           HG1      ARG   5  10.866   0.005  -7.981
  160    HD2  ARG   5           HD2      ARG   5  10.439  -0.774  -5.081
  161    HD3  ARG   5           HD1      ARG   5   9.187  -0.430  -6.268
  162    HE   ARG   5           HE       ARG   5  11.118  -2.708  -6.449
  163   HH11  ARG   5          2HH1      ARG   5   7.721  -1.631  -6.681
  164   HH12  ARG   5          2HH2      ARG   5   7.123  -3.272  -6.734
  165   HH21  ARG   5          1HH1      ARG   5  10.266  -4.776  -6.491
  166   HH22  ARG   5          1HH2      ARG   5   8.539  -5.017  -6.620
  167    H    ARG   6           H        ARG   6  14.796  -1.107  -3.532
  168    HA   ARG   6           HA       ARG   6  17.198  -1.685  -5.050
  169    HB2  ARG   6           HB2      ARG   6  16.587  -1.439  -2.076
  170    HB3  ARG   6           HB1      ARG   6  18.214  -1.616  -2.738
  171    HG2  ARG   6           HG2      ARG   6  16.321   0.676  -3.363
  172    HG3  ARG   6           HG1      ARG   6  17.593   0.720  -2.159
  173    HD2  ARG   6           HD2      ARG   6  18.693   1.712  -3.936
  174    HD3  ARG   6           HD1      ARG   6  19.193   0.033  -4.139
  175    HE   ARG   6           HE       ARG   6  16.848   1.188  -5.586
  176   HH11  ARG   6          2HH1      ARG   6  20.052  -0.373  -5.883
  177   HH12  ARG   6          2HH2      ARG   6  19.848  -0.617  -7.603
  178   HH21  ARG   6          1HH2      ARG   6  16.679   0.829  -7.785
  179   HH22  ARG   6          1HH1      ARG   6  17.972   0.042  -8.660
  180    H    ASP   7           H        ASP   7  14.731  -3.676  -3.790
  181    HA   ASP   7           HA       ASP   7  16.293  -6.121  -3.723
  182    HB2  ASP   7           HB2      ASP   7  17.092  -4.882  -1.715
  183    HB3  ASP   7           HB1      ASP   7  15.424  -4.742  -1.144
  184    H    SER   8           H        SER   8  14.932  -7.945  -2.799
  185    HA   SER   8           HA       SER   8  12.400  -7.977  -3.966
  186    HB2  SER   8           HB2      SER   8  13.449  -9.691  -1.693
  187    HB3  SER   8           HB1      SER   8  11.993 -10.032  -2.642
  188    HG   SER   8           HG       SER   8  13.502 -11.170  -3.630
  189    H    GLY   9           H        GLY   9  10.406  -7.280  -3.293
  190    HA2  GLY   9           HA2      GLY   9   9.585  -7.103  -0.539
  191    HA3  GLY   9           HA1      GLY   9   9.907  -5.540  -1.285
  192    H    TYR  10           H        TYR  10   6.816  -5.716  -3.121
  193    HA   TYR  10           HA       TYR  10   8.068  -4.375  -0.880
  194    HB2  TYR  10           HB2      TYR  10   9.137  -4.136  -3.546
  195    HB3  TYR  10           HB1      TYR  10   8.237  -2.684  -3.256
  196    HD1  TYR  10           HD1      TYR  10   8.721  -2.090  -0.382
  197    HD2  TYR  10           HD2      TYR  10  11.352  -3.595  -3.420
  198    HE1  TYR  10           HE1      TYR  10  10.642  -1.247   0.892
  199    HE2  TYR  10           HE2      TYR  10  13.302  -2.743  -2.160
  200    HH   TYR  10           HH       TYR  10  12.935  -1.029   0.976
  201    H    GLU  11           H        GLU  11   7.012  -2.339  -0.463
  202    HA   GLU  11           HA       GLU  11   5.016  -1.458  -2.372
  203    HB2  GLU  11           HB2      GLU  11   3.793  -2.852  -0.611
  204    HB3  GLU  11           HB1      GLU  11   4.290  -1.639   0.574
  205    HG2  GLU  11           HG2      GLU  11   3.274   0.009  -1.326
  206    HG3  GLU  11           HG1      GLU  11   2.366  -1.450  -1.752
  207    H    VAL  12           H        VAL  12   7.016  -0.274  -2.667
  208    HA   VAL  12           HA       VAL  12   8.554   0.959  -0.839
  209    HB   VAL  12           HB       VAL  12   8.122   1.282  -3.759
  210   HG11  VAL  12          HG11      VAL  12   9.946   3.159  -2.229
  211   HG12  VAL  12          HG12      VAL  12   9.931   2.916  -3.992
  212   HG13  VAL  12          HG13      VAL  12   8.529   3.629  -3.200
  213   HG21  VAL  12          HG21      VAL  12  10.607   0.754  -3.669
  214   HG22  VAL  12          HG22      VAL  12  10.459   0.615  -1.914
  215   HG23  VAL  12          HG23      VAL  12   9.543  -0.487  -2.975
  216    H    HIS  13           H        HIS  13   5.413   2.215  -1.761
  217    HA   HIS  13           HA       HIS  13   5.936   4.914  -1.116
  218    HB2  HIS  13           HB2      HIS  13   3.432   3.199  -1.001
  219    HB3  HIS  13           HB1      HIS  13   3.414   4.919  -0.588
  220    HD1  HIS  13           HD1      HIS  13   4.329   6.595  -2.660
  221    HD2  HIS  13           HD2      HIS  13   3.132   2.677  -3.572
  222    HE1  HIS  13           HE1      HIS  13   3.840   6.547  -5.159
  223    H    HIS  14           H        HIS  14   5.835   2.138   1.062
  224    HA   HIS  14           HA       HIS  14   5.591   3.909   3.437
  225    HB2  HIS  14           HB2      HIS  14   5.965   0.910   3.144
  226    HB3  HIS  14           HB1      HIS  14   5.882   1.773   4.680
  227    HD1  HIS  14           HD1      HIS  14   3.442   3.248   4.964
  228    HD2  HIS  14           HD2      HIS  14   3.703   0.064   2.248
  229    HE1  HIS  14           HE1      HIS  14   1.054   2.559   4.427
  230    H    GLN  15           H        GLN  15   8.082   2.176   1.557
  231    HA   GLN  15           HA       GLN  15  10.192   2.414   3.448
  232    HB2  GLN  15           HB2      GLN  15  10.287   0.782   1.775
  233    HB3  GLN  15           HB1      GLN  15   9.916   1.929   0.499
  234    HG2  GLN  15           HG2      GLN  15  12.158   1.241   0.271
  235    HG3  GLN  15           HG1      GLN  15  12.128   2.942   0.732
  236   HE21  GLN  15          HE22      GLN  15  12.923   3.532   2.873
  237   HE22  GLN  15          HE21      GLN  15  13.885   2.400   3.803
  238    H    LYS  16           H        LYS  16   9.049   4.387   0.749
  239    HA   LYS  16           HA       LYS  16  11.131   6.014   0.208
  240    HB2  LYS  16           HB2      LYS  16   9.073   5.771  -1.099
  241    HB3  LYS  16           HB1      LYS  16   8.158   6.636   0.146
  242    HG2  LYS  16           HG2      LYS  16   9.597   8.659  -0.321
  243    HG3  LYS  16           HG1      LYS  16  10.337   7.762  -1.660
  244    HD2  LYS  16           HD2      LYS  16   8.147   7.565  -2.754
  245    HD3  LYS  16           HD1      LYS  16   7.370   8.303  -1.347
  246    HE2  LYS  16           HE2      LYS  16   7.541  10.030  -2.951
  247    HE3  LYS  16           HE1      LYS  16   8.775  10.366  -1.722
  248    HZ1  LYS  16           HZ1      LYS  16   9.584  10.620  -3.965
  249    HZ2  LYS  16           HZ2      LYS  16  10.399   9.422  -3.183
  250    HZ3  LYS  16           HZ3      LYS  16   9.252   9.043  -4.299
  251    HN1  NH2  17           H2       NH2  17  11.555   8.806   2.315
  252    HN2  NH2  17           H1       NH2  17  12.063   7.930   0.886
  Start of MODEL   19
    1    H1   ACE   0           H1       ACE   0 -14.133 -10.013   2.139
    2    H2   ACE   0           H2       ACE   0 -14.852  -9.363   3.627
    3    H3   ACE   0           H3       ACE   0 -15.721  -9.228   2.082
    4    H    ASP   1           H        ASP   1 -14.154  -8.202   0.286
    5    HA   ASP   1           HA       ASP   1 -12.358  -6.100   1.160
    6    HB2  ASP   1           HB2      ASP   1 -13.639  -6.919  -1.470
    7    HB3  ASP   1           HB1      ASP   1 -12.807  -5.371  -1.302
    8    H    ALA   2           H        ALA   2 -15.803  -6.304   0.248
    9    HA   ALA   2           HA       ALA   2 -16.087  -3.784  -0.801
   10    HB1  ALA   2           HB1      ALA   2 -18.485  -4.171  -0.621
   11    HB2  ALA   2           HB2      ALA   2 -17.665  -5.684  -1.056
   12    HB3  ALA   2           HB3      ALA   2 -18.219  -5.418   0.611
   13    H    GLU   3           H        GLU   3 -16.598  -4.682   2.603
   14    HA   GLU   3           HA       GLU   3 -17.556  -2.212   3.568
   15    HB2  GLU   3           HB2      GLU   3 -16.675  -3.059   5.740
   16    HB3  GLU   3           HB1      GLU   3 -17.703  -4.188   4.881
   17    HG2  GLU   3           HG2      GLU   3 -15.588  -5.317   4.007
   18    HG3  GLU   3           HG1      GLU   3 -14.650  -4.211   5.008
   19    H    PHE   4           H        PHE   4 -14.305  -3.049   2.539
   20    HA   PHE   4           HA       PHE   4 -13.171  -0.614   3.784
   21    HB2  PHE   4           HB2      PHE   4 -11.767  -2.739   2.161
   22    HB3  PHE   4           HB1      PHE   4 -11.041  -1.542   3.229
   23    HD1  PHE   4           HD1      PHE   4 -12.686  -1.794   5.686
   24    HD2  PHE   4           HD2      PHE   4 -11.201  -4.814   3.005
   25    HE1  PHE   4           HE1      PHE   4 -12.663  -3.446   7.552
   26    HE2  PHE   4           HE2      PHE   4 -11.186  -6.461   4.861
   27    HZ   PHE   4           HZ       PHE   4 -11.903  -5.767   7.141
   28    H    ARG   5           H        ARG   5 -14.401  -1.727   0.714
   29    HA   ARG   5           HA       ARG   5 -12.884   0.075  -0.959
   30    HB2  ARG   5           HB2      ARG   5 -15.484  -1.433  -1.410
   31    HB3  ARG   5           HB1      ARG   5 -14.603  -0.564  -2.655
   32    HG2  ARG   5           HG2      ARG   5 -13.791  -3.088  -1.226
   33    HG3  ARG   5           HG1      ARG   5 -14.017  -2.830  -2.935
   34    HD2  ARG   5           HD2      ARG   5 -11.735  -1.758  -1.233
   35    HD3  ARG   5           HD1      ARG   5 -11.651  -3.068  -2.419
   36    HE   ARG   5           HE       ARG   5 -12.662  -0.559  -3.488
   37   HH11  ARG   5          2HH1      ARG   5  -9.658  -2.341  -2.826
   38   HH12  ARG   5          2HH2      ARG   5  -8.787  -1.522  -4.098
   39   HH21  ARG   5          1HH1      ARG   5 -11.488   0.437  -5.132
   40   HH22  ARG   5          1HH2      ARG   5  -9.810   0.027  -5.393
   41    H    ARG   6           H        ARG   6 -14.300   1.205   1.457
   42    HA   ARG   6           HA       ARG   6 -16.228   3.114   0.525
   43    HB2  ARG   6           HB2      ARG   6 -14.504   3.170   3.023
   44    HB3  ARG   6           HB1      ARG   6 -16.005   4.067   2.745
   45    HG2  ARG   6           HG2      ARG   6 -15.640   1.091   3.060
   46    HG3  ARG   6           HG1      ARG   6 -16.404   2.184   4.214
   47    HD2  ARG   6           HD2      ARG   6 -18.259   1.226   3.275
   48    HD3  ARG   6           HD1      ARG   6 -18.078   2.637   2.233
   49    HE   ARG   6           HE       ARG   6 -17.134  -0.156   1.636
   50   HH11  ARG   6          2HH1      ARG   6 -18.687   2.833   0.469
   51   HH12  ARG   6          2HH2      ARG   6 -18.956   2.171  -1.125
   52   HH21  ARG   6          1HH2      ARG   6 -17.539  -0.944  -0.422
   53   HH22  ARG   6          1HH1      ARG   6 -18.317   0.056  -1.623
   54    H    ASP   7           H        ASP   7 -15.835   5.419   0.564
   55    HA   ASP   7           HA       ASP   7 -13.415   6.346  -0.693
   56    HB2  ASP   7           HB2      ASP   7 -14.526   8.485  -0.594
   57    HB3  ASP   7           HB1      ASP   7 -15.684   7.256  -1.095
   58    H    SER   8           H        SER   8 -14.536   6.103   2.614
   59    HA   SER   8           HA       SER   8 -12.984   8.186   3.710
   60    HB2  SER   8           HB2      SER   8 -14.423   5.853   5.011
   61    HB3  SER   8           HB1      SER   8 -13.815   7.292   5.859
   62    HG   SER   8           HG       SER   8 -16.075   7.335   5.194
   63    H    GLY   9           H        GLY   9 -10.873   7.148   2.499
   64    HA2  GLY   9           HA2      GLY   9  -9.101   6.819   4.665
   65    HA3  GLY   9           HA1      GLY   9  -9.274   5.281   3.846
   66    H    TYR  10           H        TYR  10  -7.273   6.496   1.068
   67    HA   TYR  10           HA       TYR  10  -7.371   4.498   3.127
   68    HB2  TYR  10           HB2      TYR  10  -9.480   4.647   1.210
   69    HB3  TYR  10           HB1      TYR  10  -8.460   3.344   0.676
   70    HD1  TYR  10           HD1      TYR  10  -7.522   2.130   3.248
   71    HD2  TYR  10           HD2      TYR  10 -11.347   3.787   2.170
   72    HE1  TYR  10           HE1      TYR  10  -8.581   0.777   4.996
   73    HE2  TYR  10           HE2      TYR  10 -12.434   2.388   3.890
   74    HH   TYR  10           HH       TYR  10 -12.125   0.845   5.565
   75    H    GLU  11           H        GLU  11  -5.911   2.907   2.803
   76    HA   GLU  11           HA       GLU  11  -5.250   2.256   0.041
   77    HB2  GLU  11           HB2      GLU  11  -3.247   3.409   1.145
   78    HB3  GLU  11           HB1      GLU  11  -3.168   2.027   2.234
   79    HG2  GLU  11           HG2      GLU  11  -3.186   0.593   0.038
   80    HG3  GLU  11           HG1      GLU  11  -2.807   2.117  -0.785
   81    H    VAL  12           H        VAL  12  -6.916   0.785   0.226
   82    HA   VAL  12           HA       VAL  12  -7.687  -0.727   2.386
   83    HB   VAL  12           HB       VAL  12  -8.154  -1.036  -0.595
   84   HG11  VAL  12          HG11      VAL  12  -8.657  -3.236   0.270
   85   HG12  VAL  12          HG12      VAL  12  -9.470  -2.557   1.690
   86   HG13  VAL  12          HG13      VAL  12 -10.187  -2.400   0.073
   87   HG21  VAL  12          HG21      VAL  12 -10.332  -0.038   0.006
   88   HG22  VAL  12          HG22      VAL  12  -9.822   0.031   1.721
   89   HG23  VAL  12          HG23      VAL  12  -9.012   1.022   0.493
   90    H    HIS  13           H        HIS  13  -5.009  -1.459   0.232
   91    HA   HIS  13           HA       HIS  13  -5.066  -4.244   0.425
   92    HB2  HIS  13           HB2      HIS  13  -3.592  -2.824  -1.073
   93    HB3  HIS  13           HB1      HIS  13  -2.571  -2.481   0.320
   94    HD1  HIS  13           HD1      HIS  13  -1.799  -5.073   1.539
   95    HD2  HIS  13           HD2      HIS  13  -2.760  -4.805  -2.531
   96    HE1  HIS  13           HE1      HIS  13  -0.898  -7.192   0.449
   97    H    HIS  14           H        HIS  14  -3.755  -1.793   2.661
   98    HA   HIS  14           HA       HIS  14  -2.593  -3.742   4.486
   99    HB2  HIS  14           HB2      HIS  14  -3.289  -0.793   4.822
  100    HB3  HIS  14           HB1      HIS  14  -2.383  -1.769   5.983
  101    HD1  HIS  14           HD1      HIS  14  -0.312  -3.237   4.270
  102    HD2  HIS  14           HD2      HIS  14  -1.615   0.666   3.485
  103    HE1  HIS  14           HE1      HIS  14   1.490  -2.145   2.827
  104    H    GLN  15           H        GLN  15  -5.820  -2.306   4.053
  105    HA   GLN  15           HA       GLN  15  -6.699  -2.785   6.694
  106    HB2  GLN  15           HB2      GLN  15  -7.613  -1.235   4.822
  107    HB3  GLN  15           HB1      GLN  15  -8.403  -2.681   4.203
  108    HG2  GLN  15           HG2      GLN  15  -9.970  -1.511   5.503
  109    HG3  GLN  15           HG1      GLN  15  -9.555  -2.968   6.386
  110   HE21  GLN  15          HE21      GLN  15 -10.821  -0.920   7.761
  111   HE22  GLN  15          HE22      GLN  15  -9.686  -0.119   8.824
  112    H    LYS  16           H        LYS  16  -6.862  -4.680   3.688
  113    HA   LYS  16           HA       LYS  16  -8.573  -6.734   4.574
  114    HB2  LYS  16           HB2      LYS  16  -6.419  -6.604   2.432
  115    HB3  LYS  16           HB1      LYS  16  -7.536  -7.963   2.605
  116    HG2  LYS  16           HG2      LYS  16  -9.456  -6.604   2.121
  117    HG3  LYS  16           HG1      LYS  16  -8.535  -5.106   2.258
  118    HD2  LYS  16           HD2      LYS  16  -8.906  -5.600  -0.075
  119    HD3  LYS  16           HD1      LYS  16  -7.176  -5.733   0.286
  120    HE2  LYS  16           HE2      LYS  16  -7.321  -8.166   0.359
  121    HE3  LYS  16           HE1      LYS  16  -9.087  -8.100   0.221
  122    HZ1  LYS  16           HZ1      LYS  16  -8.067  -8.594  -1.866
  123    HZ2  LYS  16           HZ2      LYS  16  -8.827  -7.138  -1.943
  124    HZ3  LYS  16           HZ3      LYS  16  -7.184  -7.207  -1.827
  125    HN1  NH2  17           H2       NH2  17  -6.659  -9.386   5.980
  126    HN2  NH2  17           H1       NH2  17  -8.189  -8.897   5.286
  127    H1   ACE   0           H1       ACE   0  20.651   5.231  -1.553
  128    H2   ACE   0           H2       ACE   0  21.361   4.509  -3.016
  129    H3   ACE   0           H3       ACE   0  20.175   5.826  -3.152
  130    H    ASP   1           H        ASP   1  17.959   5.372  -2.892
  131    HA   ASP   1           HA       ASP   1  16.861   3.169  -1.582
  132    HB2  ASP   1           HB2      ASP   1  14.744   3.954  -2.538
  133    HB3  ASP   1           HB1      ASP   1  15.763   5.287  -1.980
  134    H    ALA   2           H        ALA   2  18.266   3.124  -4.590
  135    HA   ALA   2           HA       ALA   2  17.240   1.049  -6.127
  136    HB1  ALA   2           HB1      ALA   2  19.319   2.252  -6.593
  137    HB2  ALA   2           HB2      ALA   2  20.039   1.660  -5.085
  138    HB3  ALA   2           HB3      ALA   2  19.693   0.521  -6.393
  139    H    GLU   3           H        GLU   3  18.960   0.882  -2.981
  140    HA   GLU   3           HA       GLU   3  19.084  -1.906  -2.645
  141    HB2  GLU   3           HB2      GLU   3  19.531  -1.378  -0.347
  142    HB3  GLU   3           HB1      GLU   3  20.269  -0.110  -1.339
  143    HG2  GLU   3           HG2      GLU   3  18.058   1.208  -0.967
  144    HG3  GLU   3           HG1      GLU   3  17.706   0.016   0.294
  145    H    PHE   4           H        PHE   4  16.274   0.243  -2.281
  146    HA   PHE   4           HA       PHE   4  14.721  -2.005  -1.110
  147    HB2  PHE   4           HB2      PHE   4  13.832   0.840  -1.629
  148    HB3  PHE   4           HB1      PHE   4  13.049  -0.367  -0.611
  149    HD1  PHE   4           HD2      PHE   4  14.856  -1.432   1.217
  150    HD2  PHE   4           HD1      PHE   4  14.952   2.507  -0.504
  151    HE1  PHE   4           HE2      PHE   4  16.066  -0.587   3.217
  152    HE2  PHE   4           HE1      PHE   4  16.198   3.340   1.472
  153    HZ   PHE   4           HZ       PHE   4  16.691   1.811   3.367
  154    H    ARG   5           H        ARG   5  15.365  -0.541  -4.179
  155    HA   ARG   5           HA       ARG   5  12.821  -1.288  -5.357
  156    HB2  ARG   5           HB2      ARG   5  15.434  -0.452  -6.642
  157    HB3  ARG   5           HB1      ARG   5  13.891  -0.659  -7.467
  158    HG2  ARG   5           HG2      ARG   5  14.753   1.548  -5.646
  159    HG3  ARG   5           HG1      ARG   5  13.981   1.622  -7.206
  160    HD2  ARG   5           HD2      ARG   5  12.633   0.912  -4.566
  161    HD3  ARG   5           HD1      ARG   5  12.466   2.405  -5.486
  162    HE   ARG   5           HE       ARG   5  11.770  -0.069  -6.900
  163   HH11  ARG   5          2HH2      ARG   5  10.488   2.735  -5.116
  164   HH12  ARG   5          2HH1      ARG   5   8.850   2.421  -5.645
  165   HH21  ARG   5          1HH1      ARG   5   9.672  -0.420  -7.529
  166   HH22  ARG   5          1HH2      ARG   5   8.385   0.638  -6.996
  167    H    ARG   6           H        ARG   6  14.322  -3.356  -3.889
  168    HA   ARG   6           HA       ARG   6  15.185  -5.361  -5.744
  169    HB2  ARG   6           HB2      ARG   6  14.240  -5.592  -2.867
  170    HB3  ARG   6           HB1      ARG   6  15.181  -6.800  -3.748
  171    HG2  ARG   6           HG2      ARG   6  16.059  -4.021  -2.948
  172    HG3  ARG   6           HG1      ARG   6  16.560  -5.523  -2.182
  173    HD2  ARG   6           HD2      ARG   6  18.399  -5.159  -3.478
  174    HD3  ARG   6           HD1      ARG   6  17.431  -6.091  -4.616
  175    HE   ARG   6           HE       ARG   6  17.586  -3.097  -4.560
  176   HH11  ARG   6          2HH1      ARG   6  17.510  -6.070  -6.531
  177   HH12  ARG   6          2HH2      ARG   6  17.537  -5.174  -8.033
  178   HH21  ARG   6          1HH2      ARG   6  17.661  -2.028  -6.556
  179   HH22  ARG   6          1HH1      ARG   6  17.619  -2.936  -8.050
  180    H    ASP   7           H        ASP   7  14.069  -7.378  -6.143
  181    HA   ASP   7           HA       ASP   7  11.258  -7.188  -6.675
  182    HB2  ASP   7           HB2      ASP   7  13.064  -8.558  -7.847
  183    HB3  ASP   7           HB1      ASP   7  12.997  -9.673  -6.487
  184    H    SER   8           H        SER   8  12.981  -7.830  -3.788
  185    HA   SER   8           HA       SER   8  11.787 -10.003  -2.726
  186    HB2  SER   8           HB2      SER   8  13.072  -7.595  -1.392
  187    HB3  SER   8           HB1      SER   8  12.726  -9.107  -0.530
  188    HG   SER   8           HG       SER   8  14.873  -8.885  -1.481
  189    H    GLY   9           H        GLY   9  10.020  -7.015  -2.911
  190    HA2  GLY   9           HA2      GLY   9   8.225  -7.851  -0.684
  191    HA3  GLY   9           HA1      GLY   9   8.777  -6.191  -0.903
  192    H    TYR  10           H        TYR  10   6.225  -5.704  -3.394
  193    HA   TYR  10           HA       TYR  10   7.272  -4.727  -0.873
  194    HB2  TYR  10           HB2      TYR  10   8.750  -4.624  -3.376
  195    HB3  TYR  10           HB1      TYR  10   8.157  -3.028  -3.065
  196    HD1  TYR  10           HD1      TYR  10   8.388  -2.503  -0.254
  197    HD2  TYR  10           HD2      TYR  10  10.913  -4.919  -2.756
  198    HE1  TYR  10           HE1      TYR  10  10.253  -2.139   1.300
  199    HE2  TYR  10           HE2      TYR  10  12.821  -4.449  -1.285
  200    HH   TYR  10           HH       TYR  10  12.517  -2.441   1.679
  201    H    GLU  11           H        GLU  11   6.532  -2.761  -0.345
  202    HA   GLU  11           HA       GLU  11   5.443  -1.054  -2.431
  203    HB2  GLU  11           HB2      GLU  11   3.487  -1.902  -1.154
  204    HB3  GLU  11           HB1      GLU  11   4.256  -1.355   0.343
  205    HG2  GLU  11           HG2      GLU  11   4.294   1.004  -0.695
  206    HG3  GLU  11           HG1      GLU  11   3.286   0.356  -1.996
  207    H    VAL  12           H        VAL  12   7.438  -0.108  -2.529
  208    HA   VAL  12           HA       VAL  12   9.219   0.200  -0.383
  209    HB   VAL  12           HB       VAL  12   9.160   1.340  -3.167
  210   HG11  VAL  12          HG11      VAL  12  10.534   2.855  -1.878
  211   HG12  VAL  12          HG12      VAL  12  11.351   1.511  -1.048
  212   HG13  VAL  12          HG13      VAL  12  11.619   1.799  -2.780
  213   HG21  VAL  12          HG21      VAL  12  10.925  -0.348  -3.526
  214   HG22  VAL  12          HG22      VAL  12  10.782  -0.875  -1.831
  215   HG23  VAL  12          HG23      VAL  12   9.436  -1.114  -2.972
  216    H    HIS  13           H        HIS  13   6.833   2.469  -1.797
  217    HA   HIS  13           HA       HIS  13   8.184   4.749  -0.952
  218    HB2  HIS  13           HB2      HIS  13   6.454   5.997  -1.829
  219    HB3  HIS  13           HB1      HIS  13   6.360   4.506  -2.759
  220    HD1  HIS  13           HD1      HIS  13   4.035   3.243  -2.615
  221    HD2  HIS  13           HD2      HIS  13   4.522   6.405   0.103
  222    HE1  HIS  13           HE1      HIS  13   1.751   3.674  -1.568
  223    H    HIS  14           H        HIS  14   6.071   2.739   0.947
  224    HA   HIS  14           HA       HIS  14   6.963   4.284   3.193
  225    HB2  HIS  14           HB2      HIS  14   5.007   4.817   4.295
  226    HB3  HIS  14           HB1      HIS  14   4.761   5.396   2.663
  227    HD1  HIS  14           HD1      HIS  14   2.829   3.936   5.231
  228    HD2  HIS  14           HD2      HIS  14   3.453   2.977   1.195
  229    HE1  HIS  14           HE1      HIS  14   0.875   2.467   4.525
  230    H    GLN  15           H        GLN  15   8.033   2.132   2.413
  231    HA   GLN  15           HA       GLN  15   7.048  -0.374   3.109
  232    HB2  GLN  15           HB2      GLN  15   9.406  -1.041   3.165
  233    HB3  GLN  15           HB1      GLN  15   9.017  -0.078   1.755
  234    HG2  GLN  15           HG2      GLN  15  10.071   1.903   2.809
  235    HG3  GLN  15           HG1      GLN  15  10.417   0.963   4.261
  236   HE21  GLN  15          HE22      GLN  15  12.124   2.340   2.050
  237   HE22  GLN  15          HE21      GLN  15  13.309   1.112   1.671
  238    H    LYS  16           H        LYS  16   7.852  -1.794   4.838
  239    HA   LYS  16           HA       LYS  16   7.403  -0.575   7.453
  240    HB2  LYS  16           HB2      LYS  16   7.803  -3.454   6.528
  241    HB3  LYS  16           HB1      LYS  16   7.536  -2.974   8.210
  242    HG2  LYS  16           HG2      LYS  16   5.462  -1.708   7.405
  243    HG3  LYS  16           HG1      LYS  16   5.644  -2.558   5.856
  244    HD2  LYS  16           HD2      LYS  16   5.424  -4.719   7.022
  245    HD3  LYS  16           HD1      LYS  16   5.377  -3.875   8.588
  246    HE2  LYS  16           HE2      LYS  16   3.387  -2.576   7.792
  247    HE3  LYS  16           HE1      LYS  16   3.362  -3.575   6.328
  248    HZ1  LYS  16           HZ1      LYS  16   1.885  -4.402   7.997
  249    HZ2  LYS  16           HZ2      LYS  16   3.094  -5.491   7.729
  250    HZ3  LYS  16           HZ3      LYS  16   3.116  -4.549   9.078
  251    HN1  NH2  17           H2       NH2  17  10.530  -1.194   9.109
  252    HN2  NH2  17           H1       NH2  17   8.800  -1.297   9.341
  Start of MODEL   20
    1    H1   ACE   0           H1       ACE   0 -10.238  -5.182   1.148
    2    H2   ACE   0           H2       ACE   0  -9.360  -6.638   0.635
    3    H3   ACE   0           H3       ACE   0  -9.480  -5.245  -0.456
    4    H    ASP   1           H        ASP   1 -12.081  -4.529  -0.330
    5    HA   ASP   1           HA       ASP   1 -13.567  -6.363  -1.900
    6    HB2  ASP   1           HB2      ASP   1 -13.705  -7.576   0.334
    7    HB3  ASP   1           HB1      ASP   1 -14.532  -6.152   0.965
    8    H    ALA   2           H        ALA   2 -15.911  -5.530  -2.094
    9    HA   ALA   2           HA       ALA   2 -16.076  -2.921  -2.918
   10    HB1  ALA   2           HB1      ALA   2 -18.566  -3.290  -2.720
   11    HB2  ALA   2           HB2      ALA   2 -17.694  -4.596  -3.542
   12    HB3  ALA   2           HB3      ALA   2 -18.228  -4.792  -1.854
   13    H    GLU   3           H        GLU   3 -17.122  -4.123   0.326
   14    HA   GLU   3           HA       GLU   3 -17.968  -1.554   1.271
   15    HB2  GLU   3           HB2      GLU   3 -18.109  -2.668   3.438
   16    HB3  GLU   3           HB1      GLU   3 -18.824  -3.652   2.157
   17    HG2  GLU   3           HG2      GLU   3 -16.604  -4.922   2.022
   18    HG3  GLU   3           HG1      GLU   3 -16.067  -3.980   3.417
   19    H    PHE   4           H        PHE   4 -14.822  -2.592   0.697
   20    HA   PHE   4           HA       PHE   4 -13.760  -0.506   2.532
   21    HB2  PHE   4           HB2      PHE   4 -12.207  -2.711   1.179
   22    HB3  PHE   4           HB1      PHE   4 -11.647  -1.603   2.439
   23    HD1  PHE   4           HD1      PHE   4 -13.431  -1.584   4.575
   24    HD2  PHE   4           HD2      PHE   4 -12.700  -4.863   1.899
   25    HE1  PHE   4           HE1      PHE   4 -14.361  -3.155   6.234
   26    HE2  PHE   4           HE2      PHE   4 -13.625  -6.445   3.559
   27    HZ   PHE   4           HZ       PHE   4 -14.441  -5.591   5.753
   28    H    ARG   5           H        ARG   5 -14.376  -1.255  -0.804
   29    HA   ARG   5           HA       ARG   5 -12.450   0.627  -1.884
   30    HB2  ARG   5           HB2      ARG   5 -14.960  -0.584  -3.067
   31    HB3  ARG   5           HB1      ARG   5 -13.737   0.305  -3.964
   32    HG2  ARG   5           HG2      ARG   5 -13.732  -2.502  -3.027
   33    HG3  ARG   5           HG1      ARG   5 -13.171  -1.822  -4.521
   34    HD2  ARG   5           HD2      ARG   5 -11.687  -1.671  -1.872
   35    HD3  ARG   5           HD1      ARG   5 -11.369  -2.820  -3.161
   36    HE   ARG   5           HE       ARG   5 -11.245   0.047  -3.842
   37   HH11  ARG   5          1HH1      ARG   5  -9.365  -2.909  -3.176
   38   HH12  ARG   5          1HH2      ARG   5  -7.874  -2.178  -3.725
   39   HH21  ARG   5          2HH2      ARG   5  -9.292   0.926  -4.504
   40   HH22  ARG   5          2HH1      ARG   5  -7.838  -0.049  -4.496
   41    H    ARG   6           H        ARG   6 -13.960   1.730   0.306
   42    HA   ARG   6           HA       ARG   6 -15.974   3.525  -0.691
   43    HB2  ARG   6           HB2      ARG   6 -14.571   3.348   1.990
   44    HB3  ARG   6           HB1      ARG   6 -16.023   4.283   1.643
   45    HG2  ARG   6           HG2      ARG   6 -15.790   1.258   1.572
   46    HG3  ARG   6           HG1      ARG   6 -16.543   2.239   2.825
   47    HD2  ARG   6           HD2      ARG   6 -18.412   1.636   1.687
   48    HD3  ARG   6           HD1      ARG   6 -18.052   3.119   0.824
   49    HE   ARG   6           HE       ARG   6 -17.339   0.346  -0.073
   50   HH11  ARG   6          2HH1      ARG   6 -18.341   3.651  -1.031
   51   HH12  ARG   6          2HH2      ARG   6 -18.415   3.209  -2.721
   52   HH21  ARG   6          1HH2      ARG   6 -17.460  -0.115  -2.241
   53   HH22  ARG   6          1HH1      ARG   6 -17.946   1.107  -3.387
   54    H    ASP   7           H        ASP   7 -15.855   5.865  -0.135
   55    HA   ASP   7           HA       ASP   7 -13.599   6.969  -1.525
   56    HB2  ASP   7           HB2      ASP   7 -14.838   8.983  -1.521
   57    HB3  ASP   7           HB1      ASP   7 -15.979   7.673  -1.798
   58    H    SER   8           H        SER   8 -14.541   6.846   1.901
   59    HA   SER   8           HA       SER   8 -12.714   8.942   2.632
   60    HB2  SER   8           HB2      SER   8 -14.294   7.072   4.420
   61    HB3  SER   8           HB1      SER   8 -13.465   8.573   4.887
   62    HG   SER   8           HG       SER   8 -15.725   8.233   3.253
   63    H    GLY   9           H        GLY   9 -10.827   7.542   1.497
   64    HA2  GLY   9           HA2      GLY   9  -9.086   6.913   3.666
   65    HA3  GLY   9           HA1      GLY   9  -9.558   5.465   2.812
   66    H    TYR  10           H        TYR  10  -7.253   6.302   0.169
   67    HA   TYR  10           HA       TYR  10  -7.592   4.494   2.388
   68    HB2  TYR  10           HB2      TYR  10  -9.629   4.648   0.404
   69    HB3  TYR  10           HB1      TYR  10  -8.650   3.293  -0.075
   70    HD1  TYR  10           HD1      TYR  10  -7.807   2.074   2.493
   71    HD2  TYR  10           HD2      TYR  10 -11.551   3.883   1.410
   72    HE1  TYR  10           HE1      TYR  10  -8.934   0.656   4.141
   73    HE2  TYR  10           HE2      TYR  10 -12.709   2.440   3.040
   74    HH   TYR  10           HH       TYR  10 -12.508   0.700   4.533
   75    H    GLU  11           H        GLU  11  -6.082   2.869   2.283
   76    HA   GLU  11           HA       GLU  11  -5.068   2.064  -0.343
   77    HB2  GLU  11           HB2      GLU  11  -3.294   3.374   1.069
   78    HB3  GLU  11           HB1      GLU  11  -3.279   1.941   2.083
   79    HG2  GLU  11           HG2      GLU  11  -3.068   0.742  -0.347
   80    HG3  GLU  11           HG1      GLU  11  -2.383   2.314  -0.764
   81    H    VAL  12           H        VAL  12  -6.882   0.768  -0.179
   82    HA   VAL  12           HA       VAL  12  -8.115  -0.312   1.922
   83    HB   VAL  12           HB       VAL  12  -8.067  -1.051  -1.001
   84   HG11  VAL  12          HG11      VAL  12 -10.117  -2.454  -0.620
   85   HG12  VAL  12          HG12      VAL  12  -8.644  -3.186  -0.002
   86   HG13  VAL  12          HG13      VAL  12  -9.782  -2.410   1.122
   87   HG21  VAL  12          HG21      VAL  12 -10.065   0.150   0.940
   88   HG22  VAL  12          HG22      VAL  12  -9.125   1.049  -0.264
   89   HG23  VAL  12          HG23      VAL  12 -10.368  -0.085  -0.803
   90    H    HIS  13           H        HIS  13  -5.501  -2.053   0.218
   91    HA   HIS  13           HA       HIS  13  -6.316  -4.550   1.247
   92    HB2  HIS  13           HB2      HIS  13  -4.887  -4.235  -0.719
   93    HB3  HIS  13           HB1      HIS  13  -3.598  -3.619   0.301
   94    HD1  HIS  13           HD1      HIS  13  -1.981  -5.484   1.248
   95    HD2  HIS  13           HD2      HIS  13  -5.660  -6.897  -0.189
   96    HE1  HIS  13           HE1      HIS  13  -1.850  -8.032   1.303
   97    H    HIS  14           H        HIS  14  -4.449  -1.975   2.787
   98    HA   HIS  14           HA       HIS  14  -3.353  -3.631   4.907
   99    HB2  HIS  14           HB2      HIS  14  -3.743  -0.635   4.639
  100    HB3  HIS  14           HB1      HIS  14  -2.945  -1.403   6.009
  101    HD1  HIS  14           HD1      HIS  14  -0.963  -3.381   4.743
  102    HD2  HIS  14           HD2      HIS  14  -1.821   0.464   3.309
  103    HE1  HIS  14           HE1      HIS  14   1.063  -2.653   3.373
  104    H    GLN  15           H        GLN  15  -6.590  -2.514   4.323
  105    HA   GLN  15           HA       GLN  15  -7.381  -1.957   6.955
  106    HB2  GLN  15           HB2      GLN  15  -9.510  -1.970   6.229
  107    HB3  GLN  15           HB1      GLN  15  -8.607  -1.530   4.800
  108    HG2  GLN  15           HG2      GLN  15 -10.235  -2.980   3.989
  109    HG3  GLN  15           HG1      GLN  15  -8.807  -4.015   4.101
  110   HE21  GLN  15          HE21      GLN  15 -11.189  -2.994   6.668
  111   HE22  GLN  15          HE22      GLN  15 -11.683  -4.630   7.031
  112    H    LYS  16           H        LYS  16  -6.907  -5.005   5.319
  113    HA   LYS  16           HA       LYS  16  -7.986  -6.795   7.242
  114    HB2  LYS  16           HB2      LYS  16  -5.593  -7.066   5.392
  115    HB3  LYS  16           HB1      LYS  16  -6.332  -8.402   6.294
  116    HG2  LYS  16           HG2      LYS  16  -8.525  -7.854   5.145
  117    HG3  LYS  16           HG1      LYS  16  -7.629  -6.745   4.091
  118    HD2  LYS  16           HD2      LYS  16  -7.134  -9.742   4.395
  119    HD3  LYS  16           HD1      LYS  16  -7.966  -8.949   3.050
  120    HE2  LYS  16           HE2      LYS  16  -5.863  -7.645   2.577
  121    HE3  LYS  16           HE1      LYS  16  -5.053  -8.564   3.855
  122    HZ1  LYS  16           HZ1      LYS  16  -4.652  -9.508   1.717
  123    HZ2  LYS  16           HZ2      LYS  16  -5.520 -10.562   2.635
  124    HZ3  LYS  16           HZ3      LYS  16  -6.261  -9.702   1.443
  125    HN1  NH2  17           H2       NH2  17  -5.004  -4.846   7.423
  126    HN2  NH2  17           H1       NH2  17  -4.447  -5.561   8.921
  127    H1   ACE   0           H1       ACE   0  13.085   8.586  -0.502
  128    H2   ACE   0           H2       ACE   0  11.530   9.111  -1.164
  129    H3   ACE   0           H3       ACE   0  11.864   7.378  -0.992
  130    H    ASP   1           H        ASP   1  14.613   7.482  -1.992
  131    HA   ASP   1           HA       ASP   1  14.362   8.641  -4.702
  132    HB2  ASP   1           HB2      ASP   1  16.314   8.919  -2.850
  133    HB3  ASP   1           HB1      ASP   1  16.953   7.526  -3.726
  134    H    ALA   2           H        ALA   2  15.619   7.445  -6.456
  135    HA   ALA   2           HA       ALA   2  14.176   5.251  -7.223
  136    HB1  ALA   2           HB1      ALA   2  16.938   6.198  -8.038
  137    HB2  ALA   2           HB2      ALA   2  16.085   4.895  -8.888
  138    HB3  ALA   2           HB3      ALA   2  15.388   6.523  -8.843
  139    H    GLU   3           H        GLU   3  17.407   5.188  -5.693
  140    HA   GLU   3           HA       GLU   3  18.115   2.648  -6.386
  141    HB2  GLU   3           HB2      GLU   3  19.787   2.785  -4.573
  142    HB3  GLU   3           HB1      GLU   3  19.653   4.277  -5.497
  143    HG2  GLU   3           HG2      GLU   3  17.932   4.980  -3.592
  144    HG3  GLU   3           HG1      GLU   3  18.744   3.707  -2.665
  145    H    PHE   4           H        PHE   4  16.087   3.480  -3.565
  146    HA   PHE   4           HA       PHE   4  15.818   0.571  -3.048
  147    HB2  PHE   4           HB2      PHE   4  15.226   1.031  -0.845
  148    HB3  PHE   4           HB1      PHE   4  16.690   1.931  -1.196
  149    HD1  PHE   4           HD2      PHE   4  16.560   4.424  -1.521
  150    HD2  PHE   4           HD1      PHE   4  13.187   2.079  -0.265
  151    HE1  PHE   4           HE2      PHE   4  15.470   6.474  -0.625
  152    HE2  PHE   4           HE1      PHE   4  12.097   4.121   0.663
  153    HZ   PHE   4           HZ       PHE   4  13.256   6.310   0.485
  154    H    ARG   5           H        ARG   5  14.207   3.070  -4.643
  155    HA   ARG   5           HA       ARG   5  11.522   2.006  -4.409
  156    HB2  ARG   5           HB2      ARG   5  12.062   4.365  -5.087
  157    HB3  ARG   5           HB1      ARG   5  12.760   3.735  -6.564
  158    HG2  ARG   5           HG2      ARG   5  10.510   4.459  -7.005
  159    HG3  ARG   5           HG1      ARG   5  10.615   2.714  -7.184
  160    HD2  ARG   5           HD2      ARG   5   8.543   3.320  -6.036
  161    HD3  ARG   5           HD1      ARG   5   9.563   2.404  -4.937
  162    HE   ARG   5           HE       ARG   5   9.750   4.224  -3.574
  163   HH11  ARG   5          2HH1      ARG   5   8.469   5.337  -6.698
  164   HH12  ARG   5          2HH2      ARG   5   8.055   6.922  -6.089
  165   HH21  ARG   5          1HH1      ARG   5   9.088   6.295  -2.815
  166   HH22  ARG   5          1HH2      ARG   5   8.437   7.465  -3.937
  167    H    ARG   6           H        ARG   6  12.142  -0.221  -4.530
  168    HA   ARG   6           HA       ARG   6  13.086  -1.243  -7.139
  169    HB2  ARG   6           HB2      ARG   6  13.445  -2.177  -4.278
  170    HB3  ARG   6           HB1      ARG   6  13.973  -3.101  -5.682
  171    HG2  ARG   6           HG2      ARG   6  14.955  -0.344  -4.882
  172    HG3  ARG   6           HG1      ARG   6  15.804  -1.851  -4.591
  173    HD2  ARG   6           HD2      ARG   6  16.894  -1.402  -6.495
  174    HD3  ARG   6           HD1      ARG   6  15.436  -1.992  -7.306
  175    HE   ARG   6           HE       ARG   6  15.450   0.861  -6.603
  176   HH11  ARG   6          2HH1      ARG   6  16.313  -1.483  -9.134
  177   HH12  ARG   6          2HH2      ARG   6  16.263  -0.277 -10.401
  178   HH21  ARG   6          1HH2      ARG   6  15.360   2.362  -8.311
  179   HH22  ARG   6          1HH1      ARG   6  15.774   1.866  -9.934
  180    H    ASP   7           H        ASP   7  12.372  -3.363  -7.735
  181    HA   ASP   7           HA       ASP   7   9.509  -3.659  -7.377
  182    HB2  ASP   7           HB2      ASP   7  10.706  -3.859  -9.561
  183    HB3  ASP   7           HB1      ASP   7  11.535  -5.302  -8.944
  184    H    SER   8           H        SER   8  12.414  -5.403  -6.254
  185    HA   SER   8           HA       SER   8  11.043  -7.836  -5.823
  186    HB2  SER   8           HB2      SER   8  13.808  -6.972  -4.913
  187    HB3  SER   8           HB1      SER   8  13.192  -8.638  -4.960
  188    HG   SER   8           HG       SER   8  13.714  -6.878  -7.100
  189    H    GLY   9           H        GLY   9   9.276  -7.005  -4.411
  190    HA2  GLY   9           HA2      GLY   9   9.661  -7.922  -1.756
  191    HA3  GLY   9           HA1      GLY   9   9.547  -6.171  -1.749
  192    H    TYR  10           H        TYR  10   6.036  -6.244  -2.772
  193    HA   TYR  10           HA       TYR  10   7.741  -5.022  -0.873
  194    HB2  TYR  10           HB2      TYR  10   8.451  -4.635  -3.638
  195    HB3  TYR  10           HB1      TYR  10   7.655  -3.182  -3.135
  196    HD1  TYR  10           HD1      TYR  10   8.502  -2.883  -0.273
  197    HD2  TYR  10           HD2      TYR  10  10.718  -4.220  -3.713
  198    HE1  TYR  10           HE1      TYR  10  10.543  -2.169   0.802
  199    HE2  TYR  10           HE2      TYR  10  12.809  -3.501  -2.628
  200    HH   TYR  10           HH       TYR  10  12.873  -1.922   0.584
  201    H    GLU  11           H        GLU  11   6.777  -3.152  -0.017
  202    HA   GLU  11           HA       GLU  11   5.388  -1.649  -2.027
  203    HB2  GLU  11           HB2      GLU  11   3.557  -2.522  -0.594
  204    HB3  GLU  11           HB1      GLU  11   4.297  -1.718   0.797
  205    HG2  GLU  11           HG2      GLU  11   4.190   0.459  -0.631
  206    HG3  GLU  11           HG1      GLU  11   3.164  -0.440  -1.746
  207    H    VAL  12           H        VAL  12   7.284  -0.438  -2.259
  208    HA   VAL  12           HA       VAL  12   9.123   0.027  -0.253
  209    HB   VAL  12           HB       VAL  12   8.781   1.775  -2.701
  210   HG11  VAL  12          HG11      VAL  12  11.200   2.125  -2.430
  211   HG12  VAL  12          HG12      VAL  12  10.468   2.519  -0.924
  212   HG13  VAL  12          HG13      VAL  12  11.254   0.959  -1.082
  213   HG21  VAL  12          HG21      VAL  12  10.377  -0.816  -2.462
  214   HG22  VAL  12          HG22      VAL  12   8.862  -0.652  -3.373
  215   HG23  VAL  12          HG23      VAL  12  10.284   0.253  -3.868
  216    H    HIS  13           H        HIS  13   6.314   1.951  -1.175
  217    HA   HIS  13           HA       HIS  13   7.227   4.435  -0.454
  218    HB2  HIS  13           HB2      HIS  13   4.378   3.382  -0.458
  219    HB3  HIS  13           HB1      HIS  13   4.834   5.090  -0.528
  220    HD1  HIS  13           HD1      HIS  13   5.859   5.976  -2.845
  221    HD2  HIS  13           HD2      HIS  13   4.849   1.902  -2.718
  222    HE1  HIS  13           HE1      HIS  13   6.014   5.114  -5.240
  223    H    HIS  14           H        HIS  14   6.349   1.959   1.823
  224    HA   HIS  14           HA       HIS  14   5.855   3.982   3.935
  225    HB2  HIS  14           HB2      HIS  14   5.626   0.965   3.985
  226    HB3  HIS  14           HB1      HIS  14   5.288   2.049   5.340
  227    HD1  HIS  14           HD1      HIS  14   3.509   4.251   4.168
  228    HD2  HIS  14           HD2      HIS  14   3.341   0.220   3.029
  229    HE1  HIS  14           HE1      HIS  14   1.199   3.880   3.157
  230    H    GLN  15           H        GLN  15   8.663   2.272   2.747
  231    HA   GLN  15           HA       GLN  15   9.906   2.344   5.421
  232    HB2  GLN  15           HB2      GLN  15  11.706   1.111   4.481
  233    HB3  GLN  15           HB1      GLN  15  10.192   0.300   4.124
  234    HG2  GLN  15           HG2      GLN  15  10.298   0.765   1.844
  235    HG3  GLN  15           HG1      GLN  15  11.387   2.149   2.040
  236   HE21  GLN  15          HE22      GLN  15  13.655   1.789   2.310
  237   HE22  GLN  15          HE21      GLN  15  14.353   0.219   1.995
  238    H    LYS  16           H        LYS  16  12.143   3.101   5.549
  239    HA   LYS  16           HA       LYS  16  12.516   5.808   4.516
  240    HB2  LYS  16           HB2      LYS  16  14.206   4.042   6.339
  241    HB3  LYS  16           HB1      LYS  16  14.562   5.721   5.922
  242    HG2  LYS  16           HG2      LYS  16  12.337   6.395   6.903
  243    HG3  LYS  16           HG1      LYS  16  12.086   4.730   7.408
  244    HD2  LYS  16           HD2      LYS  16  12.908   5.910   9.292
  245    HD3  LYS  16           HD1      LYS  16  14.237   4.877   8.734
  246    HE2  LYS  16           HE2      LYS  16  15.295   6.781   7.612
  247    HE3  LYS  16           HE1      LYS  16  13.934   7.834   8.059
  248    HZ1  LYS  16           HZ1      LYS  16  15.714   6.454   9.935
  249    HZ2  LYS  16           HZ2      LYS  16  15.798   8.049   9.551
  250    HZ3  LYS  16           HZ3      LYS  16  14.480   7.456  10.351
  251    HN1  NH2  17           H2       NH2  17  15.348   5.351   2.392
  252    HN2  NH2  17           H1       NH2  17  14.518   6.467   3.455