*HEADER    DNA                                     15-NOV-05   2F1Q              
*TITLE     SOLUTION STRUCTURE OF A DNA HOLLIDAY JUNCTION                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 42-MER;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    DNA, HOLLIDAY JUNCTION, BRANCHED NUCLEIC ACIDS,GENETIC                
*KEYWDS   2 RECOMBINATION, FOUR-WAY JUNCTION                                     
*EXPDTA    NMR, 13 STRUCTURES                                                    
*AUTHOR    B.WU, B.N.M.VAN BUUREN, J.SCHLEUCHER, S.S.WIJMENGA                    
*REVDAT   1   20-MAR-07 2F1Q    0                                                


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assign(resid 31 and name H2'' ) (resid 32 and name H6 ) 3.34 1.5 1.5
assign(resid 31 and name H8 ) (resid 32 and name H5# ) 3.44 1.5 1.5
assign(resid 32 and name H2' ) (resid 33 and name H8 ) 3.21 1.5 1.5
assign(resid 32 and name H2'' ) (resid 33 and name H8 ) 2.93 1.5 1.5
assign(resid 32 and name H3' ) (resid 33 and name H8 ) 3.41 1.5 1.5
assign(resid 32 and name H6 ) (resid 33 and name H8 ) 3.82 1.5 1.5
assign(resid 32 and name H6 ) (resid 33 and name H8 ) 4.43 1.5 1.5
assign(resid 33 and name H2'' ) (resid 34 and name H8 ) 3.04 1.5 1.5
assign(resid 33 and name H3' ) (resid 34 and name H8 ) 4.07 1.5 1.5
assign(resid 33 and name H8 ) (resid 34 and name H8 ) 4.1 1.5 1.5
assign(resid 34 and name H1' ) (resid 35 and name H5# ) 3.65 1.5 1.5
assign(resid 34 and name H2' ) (resid 35 and name H5# ) 2.97 1.5 1.5
assign(resid 34 and name H2'' ) (resid 35 and name H5# ) 2.98 1.5 1.5
assign(resid 34 and name H1' ) (resid 35 and name H6 ) 3.56 1.5 1.5
assign(resid 34 and name H2' ) (resid 35 and name H6 ) 3.07 1.5 1.5
assign(resid 34 and name H2'' ) (resid 35 and name H6 ) 2.97 1.5 1.5
assign(resid 34 and name H8 ) (resid 35 and name H5# ) 3.21 1.5 1.5
assign(resid 34 and name H8 ) (resid 35 and name H6 ) 4.48 1.5 1.5
assign(resid 35 and name H1' ) (resid 36 and name H8 ) 3.94 1.5 1.5
assign(resid 35 and name H2' ) (resid 36 and name H8 ) 3.28 1.5 1.5
assign(resid 35 and name H2'' ) (resid 36 and name H8 ) 3.23 1.5 1.5
assign(resid 35 and name H3' ) (resid 36 and name H8 ) 3.41 1.5 1.5
assign(resid 35 and name H4' ) (resid 36 and name H8 ) 4.47 2.0 2.0
assign(resid 35 and name H5# ) (resid 36 and name H8 ) 4.71 2.0 2.0
assign(resid 35 and name H6 ) (resid 36 and name H8 ) 3.93 1.5 1.5
assign(resid 36 and name H1' ) (resid 37 and name H6 ) 3.11 1.5 1.5
assign(resid 36 and name H3' ) (resid 37 and name H6 ) 4.34 1.5 1.5
assign(resid 36 and name H8 ) (resid 37 and name H6 ) 4.71 1.5 1.5
assign(resid 37 and name H2' ) (resid 38 and name H8 ) 3.54 1.5 1.5
assign(resid 37 and name H2'' ) (resid 38 and name H8 ) 3.13 1.5 1.5
assign(resid 37 and name H3' ) (resid 38 and name H8 ) 3.15 1.5 1.5
assign(resid 37 and name H6 ) (resid 38 and name H8 ) 3.82 1.5 1.5
assign(resid 37 and name H6 ) (resid 38 and name H8 ) 4.32 1.5 1.5
assign(resid 38 and name H1' ) (resid 39 and name H8 ) 3.15 1.5 1.5
assign(resid 38 and name H2'' ) (resid 39 and name H8 ) 2.98 1.5 1.5
assign(resid 38 and name H2' ) (resid 39 and name H8 ) 3.57 1.5 1.5
assign(resid 38 and name H8 ) (resid 39 and name H8 ) 3.84 1.5 1.5
{noe for cobalt}
assign(resname COHX and name CO ) (resid 8  and name  H8  ) 6.6 2.0 6.0
assign(resname COHX and name CO ) (resid 9  and name  H3  ) 6.6 2.0 6.0
assign(resname COHX and name CO ) (resid 9  and name  H6  ) 6.6 2.0 6.0
assign(resname COHX and name CO ) (resid 9  and name  H5# ) 6.6 2.0 6.0
assign(resname COHX and name CO ) (resid 15 and name  H1  ) 6.6 1.0 6.0
assign(resname COHX and name CO ) (resid 15 and name  H8  ) 6.6 1.0 6.0
assign(resname COHX and name CO ) (resid 16 and name  H2  ) 5.6 2.0 6.0
assign(resname COHX and name CO ) (resid 17 and name  H4# ) 6.6 2.0 6.0
assign(resname COHX and name CO ) (resid 17 and name  H6  ) 5.6 2.0 6.0
assign(resname COHX and name CO ) (resid 24 and name  H1  ) 6.6 2.0 6.0
assign(resname COHX and name CO ) (resid 24 and name  H8  ) 6.6 2.0 6.0

{torsion angle restraints}
set echo=on message=normal end
restraints dihedral
evaluate ($dih_value_alpha=-46)
evaluate ($dih_value_beta=180)
evaluate ($dih_value_chi=-98)
evaluate ($dih_value_delta=148)
evaluate ($dih_value_epsilon=195)
evaluate ($dih_value_zeta=-96)
evaluate ($dih_value_gamma=36)
evaluate ($dih_value_V0=-32)
evaluate ($dih_value_V1=38)
evaluate ($dih_value_V2=-29)
evaluate ($dih_value_V3=9)
evaluate ($dih_value_V4=14)
evaluate ($dih_range_alpha=50)
evaluate ($dih_range_delta=24)
evaluate ($dih_range_epsilon=45)
evaluate ($dih_range_zeta=50)
evaluate ($dih_range_gamma=50 )
evaluate ($dih_range_chi=30)
evaluate ($dih_range_v0=16)
evaluate ($dih_range_v1=20)
evaluate ($dih_range_v2=20)
evaluate ($dih_range_v3=15)
evaluate ($dih_range_v4=28)

{alpha}
assign (resid  5  and name O3' )
       (resid  6  and name P )
       (resid  6  and name O5' )
       (resid  6  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  6  and name O3' )
       (resid  7  and name P )
       (resid  7  and name O5' )
       (resid  7  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  7  and name O3' )
       (resid  8  and name P )
       (resid  8  and name O5' )
       (resid  8  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2


assign (resid  9  and name O3' )
       (resid  10  and name P )
       (resid  10  and name O5' )
       (resid  10  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  10  and name O3' )
       (resid  11  and name P )
       (resid  11  and name O5' )
       (resid  11  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  15  and name O3' )
       (resid  16  and name P )
       (resid  16  and name O5' )
       (resid  16  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  16  and name O3' )
       (resid  17  and name P )
       (resid  17  and name O5' )
       (resid  17  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  18  and name O3' )
       (resid  19  and name P )
       (resid  19  and name O5' )
       (resid  19  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  23  and name O3' )
       (resid  24  and name P )
       (resid  24  and name O5' )
       (resid  24  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2


assign (resid  25  and name O3' )
       (resid  26  and name P )
       (resid  26  and name O5' )
       (resid  26  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  26  and name O3' )
       (resid  27  and name P )
       (resid  27  and name O5' )
       (resid  27  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  27  and name O3' )
       (resid  28  and name P )
       (resid  28  and name O5' )
       (resid  28  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  32  and name O3' )
       (resid  33  and name P )
       (resid  33  and name O5' )
       (resid  33  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  33  and name O3' )
       (resid  34  and name P )
       (resid  34  and name O5' )
       (resid  34  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  34  and name O3' )
       (resid  35  and name P )
       (resid  35  and name O5' )
       (resid  35  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  35  and name O3' )
       (resid  36  and name P )
       (resid  36  and name O5' )
       (resid  36  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  36 and name O3' )
       (resid  37  and name P )
       (resid  37  and name O5' )
       (resid  37  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  37  and name O3' )
       (resid  38  and name P )
       (resid  38  and name O5' )
       (resid  38  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2

assign (resid  38  and name O3' )
       (resid  39  and name P )
       (resid  39  and name O5' )
       (resid  39  and name C5' )
1  $dih_value_alpha  $dih_range_alpha 2


{beta}

assign (resid  5  and name P )
       (resid  5  and name O5' )
       (resid  5  and name C5' )
       (resid  5  and name C4' )
1  $dih_value_beta  30 2


assign (resid  32 and name P )
       (resid  32 and name O5' )
       (resid  32 and name C5' )
       (resid  32 and name C4' )
1  $dih_value_beta  30 2

assign (resid  35 and name P )
       (resid  35 and name O5' )
       (resid  35 and name C5' )
       (resid  35 and name C4' )
1  $dih_value_beta  30 2



{chi }
assign (resid  5  and name O4' )
       (resid  5  and name C1' )
       (resid  5  and name  N1  )
       (resid  5  and name  C2  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  6  and name O4' )
       (resid  6  and name C1' )
       (resid  6  and name  N9  )
       (resid  6  and name  C4  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  7  and name O4' )
       (resid  7  and name C1' )
       (resid  7  and name  N1  )
       (resid  7  and name  C2  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  8  and name O4' )
       (resid  8  and name C1' )
       (resid  8  and name  N9  )
       (resid  8  and name  C4  )
1  $dih_value_chi  $dih_range_zeta 2

assign (resid  9  and name O4' )
       (resid  9  and name C1' )
       (resid  9  and name  N1  )
       (resid  9  and name  C2  )
1  $dih_value_chi  40 2

assign (resid  10  and name O4' )
       (resid  10  and name C1' )
       (resid  10  and name  N1  )
       (resid  10  and name  C2  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  15  and name O4' )
       (resid  15  and name C1' )
       (resid  15  and name  N9  )
       (resid  15  and name  C4  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  16  and name O4' )
       (resid  16  and name C1' )
       (resid  16  and name  N9  )
       (resid  16  and name  C4  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  17  and name O4' )
       (resid  17  and name C1' )
       (resid  17  and name  N1  )
       (resid  17  and name  C2  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  18  and name O4' )
       (resid  18  and name C1' )
       (resid  18  and name  N9  )
       (resid  18  and name  C4  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  23  and name O4' )
       (resid  23  and name C1' )
       (resid  23  and name  N1  )
       (resid  23  and name  C2  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  24  and name O4' )
       (resid  24  and name C1' )
       (resid  24  and name  N9  )
       (resid  24  and name  C4  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  25  and name O4' )
       (resid  25  and name C1' )
       (resid  25  and name  N1  )
       (resid  25  and name  C2  )
1  $dih_value_chi  70 2

assign (resid  26  and name O4' )
       (resid  26  and name C1' )
       (resid  26  and name  N1  )
       (resid  26  and name  C2  )
1  $dih_value_chi  70 2

assign (resid  27  and name O4' )
       (resid  27  and name C1' )
       (resid  27  and name  N9  )
       (resid  27  and name  C4  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  32  and name O4' )
       (resid  32  and name C1' )
       (resid  32  and name  N1  )
       (resid  32  and name  C2  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  33  and name O4' )
       (resid  33  and name C1' )
       (resid  33  and name  N9  )
       (resid  33  and name  C4  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  34  and name O4' )
       (resid  34  and name C1' )
       (resid  34  and name  N9  )
       (resid  34  and name  C4  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  35  and name O4' )
       (resid  35  and name C1' )
       (resid  35  and name  N1  )
       (resid  35  and name  C2  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  36  and name O4' )
       (resid  36  and name C1' )
       (resid  36  and name  N9  )
       (resid  36  and name  C4  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  37  and name O4' )
       (resid  37  and name C1' )
       (resid  37  and name  N1  )
       (resid  37  and name  C2  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  38  and name O4' )
       (resid  38  and name C1' )
       (resid  38  and name  N9  )
       (resid  38  and name  C4  )
1  $dih_value_chi  $dih_range_chi 2

assign (resid  39  and name O4' )
       (resid  39  and name C1' )
       (resid  39  and name  N9  )
       (resid  39  and name  C4  )
1  $dih_value_chi  $dih_range_chi 2



{delta}
assign (resid  5  and name C5' )
       (resid  5  and name C4' )
       (resid  5  and name C3' )
       (resid  5  and name O3' )
1  $dih_value_delta $dih_range_delta 2

assign (resid  6  and name C5' )
       (resid  6  and name C4' )
       (resid  6  and name C3' )
       (resid  6  and name O3' )
1  $dih_value_delta $dih_range_delta 2

assign (resid  7  and name  C5' )
       (resid  7  and name  C4' )
       (resid  7  and name  C3' )
       (resid  7  and name  O3' )
1 $dih_value_delta $dih_range_delta 2


assign (resid  9  and name  C5' )
       (resid  9  and name  C4' )
       (resid  9  and name  C3' )
       (resid  9  and name  O3' )
1 $dih_value_delta 34 2

assign (resid  10  and name  C5' )
       (resid  10  and name  C4' )
       (resid  10  and name  C3' )
       (resid  10  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  15  and name  C5' )
       (resid  15  and name  C4' )
       (resid  15  and name  C3' )
       (resid  15  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  16  and name  C5' )
       (resid  16  and name  C4' )
       (resid  16  and name  C3' )
       (resid  16  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  17  and name  C5' )
       (resid  17  and name  C4' )
       (resid  17  and name  C3' )
       (resid  17  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  18  and name  C5' )
       (resid  18  and name  C4' )
       (resid  18  and name  C3' )
       (resid  18  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  23  and name  C5' )
       (resid  23  and name  C4' )
       (resid  23  and name  C3' )
       (resid  23  and name  O3' )
1 $dih_value_delta $dih_range_delta 2


assign (resid  25  and name  C5' )
       (resid  25  and name  C4' )
       (resid  25  and name  C3' )
       (resid  25  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  26  and name  C5' )
       (resid  26  and name  C4' )
       (resid  26  and name  C3' )
       (resid  26  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  27  and name  C5' )
       (resid  27  and name  C4' )
       (resid  27  and name  C3' )
       (resid  27  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  32  and name  C5' )
       (resid  32  and name  C4' )
       (resid  32  and name  C3' )
       (resid  32  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  33  and name  C5' )
       (resid  33  and name  C4' )
       (resid  33  and name  C3' )
       (resid  33  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  34  and name  C5' )
       (resid  34  and name  C4' )
       (resid  34  and name  C3' )
       (resid  34  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  35  and name  C5' )
       (resid  35  and name  C4' )
       (resid  35  and name  C3' )
       (resid  35  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  36 and name   C5' )
       (resid  36  and name  C4' )
       (resid  36  and name  C3' )
       (resid  36  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  37  and name  C5' )
       (resid  37  and name  C4' )
       (resid  37  and name  C3' )
       (resid  37  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  38  and name  C5' )
       (resid  38  and name  C4' )
       (resid  38  and name  C3' )
       (resid  38  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

assign (resid  39  and name  C5' )
       (resid  39  and name  C4' )
       (resid  39  and name  C3' )
       (resid  39  and name  O3' )
1 $dih_value_delta $dih_range_delta 2

{epsilon}

assign (resid  5  and name  C4' )
       (resid  5  and name  C3' )
       (resid  5  and name  O3' )
       (resid  6  and name  P )
1 240 30 2

assign (resid  6  and name  C4' )
       (resid  6  and name  C3' )
       (resid  6  and name  O3' )
       (resid  7  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

assign (resid  7  and name  C4' )
       (resid  7  and name  C3' )
       (resid  7  and name  O3' )
       (resid  8  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2


assign (resid  9  and name  C4' )
       (resid  9  and name  C3' )
       (resid  9  and name  O3' )
       (resid  10 and name  P )
1 200 30 2

assign (resid  10 and name  C4' )
       (resid  10 and name  C3' )
       (resid  10 and name  O3' )
       (resid  11 and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

assign (resid  15  and name  C4' )
       (resid  15  and name  C3' )
       (resid  15  and name  O3' )
       (resid  16  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

assign (resid  16  and name  C4' )
       (resid  16  and name  C3' )
       (resid  16  and name  O3' )
       (resid  17  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

assign (resid  17  and name  C4' )
       (resid  17  and name  C3' )
       (resid  17  and name  O3' )
       (resid  18  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

assign (resid  18  and name  C4' )
       (resid  18  and name  C3' )
       (resid  18  and name  O3' )
       (resid  19  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

assign (resid  19  and name  C4' )
       (resid  19  and name  C3' )
       (resid  19  and name  O3' )
       (resid  20  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

assign (resid  23  and name  C4' )
       (resid  23  and name  C3' )
       (resid  23  and name  O3' )
       (resid  24  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2


assign (resid  25  and name  C4' )
       (resid  25  and name  C3' )
       (resid  25  and name  O3' )
       (resid  26  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

assign (resid  26  and name  C4' )
       (resid  26  and name  C3' )
       (resid  26  and name  O3' )
       (resid  27  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

assign (resid  27  and name  C4' )
       (resid  27  and name  C3' )
       (resid  27  and name  O3' )
       (resid  28  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

assign (resid  32  and name  C4' )
       (resid  32  and name  C3' )
       (resid  32  and name  O3' )
       (resid  33  and name  P )
1 230 30 2

assign (resid  33  and name  C4' )
       (resid  33  and name  C3' )
       (resid  33  and name  O3' )
       (resid  34  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

assign (resid  34  and name  C4' )
       (resid  34  and name  C3' )
       (resid  34  and name  O3' )
       (resid  35  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

assign (resid  35  and name  C4' )
       (resid  35  and name  C3' )
       (resid  35  and name  O3' )
       (resid  $dih_value_gamma  and name  P )
1 200 30 2

assign (resid  36  and name  C4' )
       (resid  36  and name  C3' )
       (resid  36  and name  O3' )
       (resid  37  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

assign (resid  37  and name  C4' )
       (resid  37  and name  C3' )
       (resid  37  and name  O3' )
       (resid  38  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

assign (resid  38  and name  C4' )
       (resid  38  and name  C3' )
       (resid  38  and name  O3' )
       (resid  39  and name  P )
1 $dih_value_epsilon $dih_range_epsilon 2

{zeta}

assign (resid  5  and name C3' )
       (resid  5  and name O3' )
       (resid  6  and name P )
       (resid  6  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  6  and name C3' )
       (resid  6  and name O3' )
       (resid  7  and name P )
       (resid  7  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2


assign (resid  9  and name C3' )
       (resid  9  and name O3' )
       (resid  10  and name P )
       (resid  10  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  10 and name C3' )
       (resid  10 and name O3' )
       (resid  11 and name P )
       (resid  11 and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  15  and name C3' )
       (resid  15  and name O3' )
       (resid  16  and name P )
       (resid  16  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  16  and name C3' )
       (resid  16  and name O3' )
       (resid  17  and name P )
       (resid  17  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  18  and name C3' )
       (resid  18  and name O3' )
       (resid  19  and name P )
       (resid  19  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  23  and name C3' )
       (resid  23  and name O3' )
       (resid  24  and name P )
       (resid  24  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2


assign (resid  25  and name C3' )
       (resid  25  and name O3' )
       (resid  26  and name P )
       (resid  26  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  26  and name C3' )
       (resid  26  and name O3' )
       (resid  27  and name P )
       (resid  27  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  27  and name C3' )
       (resid  27  and name O3' )
       (resid  28  and name P )
       (resid  28  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  32  and name C3' )
       (resid  32  and name O3' )
       (resid  33  and name P )
       (resid  33  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  33  and name C3' )
       (resid  33  and name O3' )
       (resid  34  and name P )
       (resid  34  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  34  and name C3' )
       (resid  34  and name O3' )
       (resid  35  and name P )
       (resid  35  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  35  and name C3' )
       (resid  35  and name O3' )
       (resid  36  and name P )
       (resid  36  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  36  and name C3' )
       (resid  36  and name O3' )
       (resid  37  and name P )
       (resid  37  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  37  and name C3' )
       (resid  37  and name O3' )
       (resid  38  and name P )
       (resid  38  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

assign (resid  38  and name C3' )
       (resid  38  and name O3' )
       (resid  39  and name P )
       (resid  39  and name O5' )
1  $dih_value_zeta  $dih_range_zeta 2

{gamma}

assign (resid  5  and name O5' )
       (resid  5  and name C5' )
       (resid  5  and name C4' )
       (resid  5  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  6  and name O5' )
       (resid  6  and name C5' )
       (resid  6  and name C4' )
       (resid  6  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  7  and name O5' )
       (resid  7  and name C5' )
       (resid  7  and name C4' )
       (resid  7  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  8  and name O5' )
       (resid  8  and name C5' )
       (resid  8  and name C4' )
       (resid  8  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2


assign (resid  10  and name O5' )
       (resid  10  and name C5' )
       (resid  10  and name C4' )
       (resid  10  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  15  and name O5' )
       (resid  15  and name C5' )
       (resid  15  and name C4' )
       (resid  15  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  16  and name O5' )
       (resid  16  and name C5' )
       (resid  16  and name C4' )
       (resid  16  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2


assign (resid  18  and name O5' )
       (resid  18  and name C5' )
       (resid  18  and name C4' )
       (resid  18  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  23  and name O5' )
       (resid  23  and name C5' )
       (resid  23  and name C4' )
       (resid  23  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  24  and name O5' )
       (resid  24  and name C5' )
       (resid  24  and name C4' )
       (resid  24  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2


assign (resid  26  and name O5' )
       (resid  26  and name C5' )
       (resid  26  and name C4' )
       (resid  26  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  27  and name O5' )
       (resid  27  and name C5' )
       (resid  27  and name C4' )
       (resid  27  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  32  and name O5' )
       (resid  32  and name C5' )
       (resid  32  and name C4' )
       (resid  32  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  33  and name O5' )
       (resid  33  and name C5' )
       (resid  33  and name C4' )
       (resid  33  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  34  and name O5' )
       (resid  34  and name C5' )
       (resid  34  and name C4' )
       (resid  34  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  35  and name O5' )
       (resid  35  and name C5' )
       (resid  35  and name C4' )
       (resid  35  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  36  and name O5' )
       (resid  36  and name C5' )
       (resid  36  and name C4' )
       (resid  36  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  37  and name O5' )
       (resid  37  and name C5' )
       (resid  37  and name C4' )
       (resid  37  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2

assign (resid  38  and name O5' )
       (resid  38  and name C5' )
       (resid  38  and name C4' )
       (resid  38  and name C3' )
1  $dih_value_gamma  $dih_range_gamma 2


{v0}

assign (resid  5  and name C4' )
       (resid  5  and name O4' )
       (resid  5  and name C1' )
       (resid  5  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  6  and name C4' )
       (resid  6  and name O4' )
       (resid  6  and name C1' )
       (resid  6  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  7  and name C4' )
       (resid  7  and name O4' )
       (resid  7  and name C1' )
       (resid  7  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  8  and name C4' )
       (resid  8  and name O4' )
       (resid  8  and name C1' )
       (resid  8  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  9  and name C4' )
       (resid  9  and name O4' )
       (resid  9  and name C1' )
       (resid  9  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  10  and name C4' )
       (resid  10  and name O4' )
       (resid  10  and name C1' )
       (resid  10  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  15  and name C4' )
       (resid  15  and name O4' )
       (resid  15  and name C1' )
       (resid  15  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  16  and name C4' )
       (resid  16  and name O4' )
       (resid  16  and name C1' )
       (resid  16  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  17  and name C4' )
       (resid  17  and name O4' )
       (resid  17  and name C1' )
       (resid  17  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  18  and name C4' )
       (resid  18  and name O4' )
       (resid  18  and name C1' )
       (resid  18  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  23  and name C4' )
       (resid  23  and name O4' )
       (resid  23  and name C1' )
       (resid  23  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  24  and name C4' )
       (resid  24  and name O4' )
       (resid  24  and name C1' )
       (resid  24  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  25  and name C4' )
       (resid  25  and name O4' )
       (resid  25  and name C1' )
       (resid  25  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  26  and name C4' )
       (resid  26  and name O4' )
       (resid  26  and name C1' )
       (resid  26  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  27  and name C4' )
       (resid  27  and name O4' )
       (resid  27  and name C1' )
       (resid  27  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  32  and name C4' )
       (resid  32  and name O4' )
       (resid  32  and name C1' )
       (resid  32  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  33  and name C4' )
       (resid  33  and name O4' )
       (resid  33  and name C1' )
       (resid  33  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  34  and name C4' )
       (resid  34  and name O4' )
       (resid  34  and name C1' )
       (resid  34  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  35  and name C4' )
       (resid  35  and name O4' )
       (resid  35  and name C1' )
       (resid  35  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  36  and name C4' )
       (resid  36  and name O4' )
       (resid  36  and name C1' )
       (resid  36  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  37  and name C4' )
       (resid  37  and name O4' )
       (resid  37  and name C1' )
       (resid  37  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  38  and name C4' )
       (resid  38  and name O4' )
       (resid  38  and name C1' )
       (resid  38  and name C2' )
1  $dih_value_V0   $dih_range_v0 2

assign (resid  39  and name C4' )
       (resid  39  and name O4' )
       (resid  39  and name C1' )
       (resid  39  and name C2' )
1  $dih_value_V0   $dih_range_v0 2


{v1}
assign (resid  5  and name O4' )
       (resid  5  and name C1' )
       (resid  5  and name C2' )
       (resid  5  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  6  and name O4' )
       (resid  6  and name C1' )
       (resid  6  and name C2' )
       (resid  6  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  7  and name O4' )
       (resid  7  and name C1' )
       (resid  7  and name C2' )
       (resid  7  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  8  and name O4' )
       (resid  8  and name C1' )
       (resid  8  and name C2' )
       (resid  8  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  9  and name O4' )
       (resid  9  and name C1' )
       (resid  9  and name C2' )
       (resid  9  and name C3' )
1  33  $dih_range_v1 2

assign (resid  10  and name O4' )
       (resid  10  and name C1' )
       (resid  10  and name C2' )
       (resid  10  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  15  and name O4' )
       (resid  15  and name C1' )
       (resid  15  and name C2' )
       (resid  15  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  16  and name O4' )
       (resid  16  and name C1' )
       (resid  16  and name C2' )
       (resid  16  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  17  and name O4' )
       (resid  17  and name C1' )
       (resid  17  and name C2' )
       (resid  17  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  18  and name O4' )
       (resid  18  and name C1' )
       (resid  18  and name C2' )
       (resid  18  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  23  and name O4' )
       (resid  23  and name C1' )
       (resid  23  and name C2' )
       (resid  23  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  24  and name O4' )
       (resid  24  and name C1' )
       (resid  24  and name C2' )
       (resid  24  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  25  and name O4' )
       (resid  25  and name C1' )
       (resid  25  and name C2' )
       (resid  25  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  26  and name O4' )
       (resid  26  and name C1' )
       (resid  26  and name C2' )
       (resid  26  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  27  and name O4' )
       (resid  27  and name C1' )
       (resid  27  and name C2' )
       (resid  27  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  32  and name O4' )
       (resid  32  and name C1' )
       (resid  32  and name C2' )
       (resid  32  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  33  and name O4' )
       (resid  33  and name C1' )
       (resid  33  and name C2' )
       (resid  33  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  34  and name O4' )
       (resid  34  and name C1' )
       (resid  34  and name C2' )
       (resid  34  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  35  and name O4' )
       (resid  35  and name C1' )
       (resid  35  and name C2' )
       (resid  35  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  36  and name O4' )
       (resid  36  and name C1' )
       (resid  36  and name C2' )
       (resid  36  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  37  and name O4' )
       (resid  37  and name C1' )
       (resid  37  and name C2' )
       (resid  37  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  38  and name O4' )
       (resid  38  and name C1' )
       (resid  38  and name C2' )
       (resid  38  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

assign (resid  39  and name O4' )
       (resid  39  and name C1' )
       (resid  39  and name C2' )
       (resid  39  and name C3' )
1  $dih_value_V1  $dih_range_v1 2

{v2}
assign (resid  5  and name C1' )
       (resid  5  and name C2' )
       (resid  5  and name C3' )
       (resid  5  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  6  and name C1' )
       (resid  6  and name C2' )
       (resid  6  and name C3' )
       (resid  6  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  7  and name C1' )
       (resid  7  and name C2' )
       (resid  7  and name C3' )
       (resid  7  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  8  and name C1' )
       (resid  8  and name C2' )
       (resid  8  and name C3' )
       (resid  8  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  9  and name C1' )
       (resid  9  and name C2' )
       (resid  9  and name C3' )
       (resid  9  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  10  and name C1' )
       (resid  10  and name C2' )
       (resid  10  and name C3' )
       (resid  10  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  15  and name C1' )
       (resid  15  and name C2' )
       (resid  15  and name C3' )
       (resid  15  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  16  and name C1' )
       (resid  16  and name C2' )
       (resid  16  and name C3' )
       (resid  16  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  17  and name C1' )
       (resid  17  and name C2' )
       (resid  17  and name C3' )
       (resid  17  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  18  and name C1' )
       (resid  18  and name C2' )
       (resid  18  and name C3' )
       (resid  18  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  23  and name C1' )
       (resid  23  and name C2' )
       (resid  23  and name C3' )
       (resid  23  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  24  and name C1' )
       (resid  24  and name C2' )
       (resid  24  and name C3' )
       (resid  24  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  25  and name C1' )
       (resid  25  and name C2' )
       (resid  25  and name C3' )
       (resid  25  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  26  and name C1' )
       (resid  26  and name C2' )
       (resid  26  and name C3' )
       (resid  26  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  27  and name C1' )
       (resid  27  and name C2' )
       (resid  27  and name C3' )
       (resid  27  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  32  and name C1' )
       (resid  32  and name C2' )
       (resid  32  and name C3' )
       (resid  32  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  33  and name C1' )
       (resid  33  and name C2' )
       (resid  33  and name C3' )
       (resid  33  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  34  and name C1' )
       (resid  34  and name C2' )
       (resid  34  and name C3' )
       (resid  34  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  35  and name C1' )
       (resid  35  and name C2' )
       (resid  35  and name C3' )
       (resid  35  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  36  and name C1' )
       (resid  36  and name C2' )
       (resid  36  and name C3' )
       (resid  36  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  37  and name C1' )
       (resid  37  and name C2' )
       (resid  37  and name C3' )
       (resid  37  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  38  and name C1' )
       (resid  38  and name C2' )
       (resid  38  and name C3' )
       (resid  38  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

assign (resid  39  and name C1' )
       (resid  39  and name C2' )
       (resid  39  and name C3' )
       (resid  39  and name C4' )
1  $dih_value_V2  $dih_range_v2 2

{v3}


assign (resid  5  and name C2' )
       (resid  5  and name C3' )
       (resid  5  and name C4' )
       (resid  5  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  6  and name C2' )
       (resid  6  and name C3' )
       (resid  6  and name C4' )
       (resid  6  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  7  and name C2' )
       (resid  7  and name C3' )
       (resid  7  and name C4' )
       (resid  7  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  8  and name C2' )
       (resid  8  and name C3' )
       (resid  8  and name C4' )
       (resid  8  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  9  and name C2' )
       (resid  9  and name C3' )
       (resid  9  and name C4' )
       (resid  9  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  10  and name C2' )
       (resid  10  and name C3' )
       (resid  10  and name C4' )
       (resid  10  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  15  and name C2' )
       (resid  15  and name C3' )
       (resid  15  and name C4' )
       (resid  15  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  16  and name C2' )
       (resid  16  and name C3' )
       (resid  16  and name C4' )
       (resid  16  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  17  and name C2' )
       (resid  17  and name C3' )
       (resid  17  and name C4' )
       (resid  17  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  18  and name C2' )
       (resid  18  and name C3' )
       (resid  18  and name C4' )
       (resid  18  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  23  and name C2' )
       (resid  23  and name C3' )
       (resid  23  and name C4' )
       (resid  23  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  24  and name C2' )
       (resid  24  and name C3' )
       (resid  24  and name C4' )
       (resid  24  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  25  and name C2' )
       (resid  25  and name C3' )
       (resid  25  and name C4' )
       (resid  25  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  26  and name C2' )
       (resid  26  and name C3' )
       (resid  26  and name C4' )
       (resid  26  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  27  and name C2' )
       (resid  27  and name C3' )
       (resid  27  and name C4' )
       (resid  27  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  32  and name C2' )
       (resid  32  and name C3' )
       (resid  32  and name C4' )
       (resid  32  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  33  and name C2' )
       (resid  33  and name C3' )
       (resid  33  and name C4' )
       (resid  33  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  34  and name C2' )
       (resid  34  and name C3' )
       (resid  34  and name C4' )
       (resid  34  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  35  and name C2' )
       (resid  35  and name C3' )
       (resid  35  and name C4' )
       (resid  35  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  36  and name C2' )
       (resid  36  and name C3' )
       (resid  36  and name C4' )
       (resid  36  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  37  and name C2' )
       (resid  37  and name C3' )
       (resid  37  and name C4' )
       (resid  37  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  38  and name C2' )
       (resid  38  and name C3' )
       (resid  38  and name C4' )
       (resid  38  and name O4' )
1  $dih_value_V3  $dih_range_v3 2

assign (resid  39  and name C2' )
       (resid  39  and name C3' )
       (resid  39  and name C4' )
       (resid  39  and name O4' )
1  $dih_value_V3  $dih_range_v3 2


{v4}
assign (resid  5  and name C1' )
       (resid  5  and name C2' )
       (resid  5  and name C3' )
       (resid  5  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  6  and name C1' )
       (resid  6  and name C2' )
       (resid  6  and name C3' )
       (resid  6  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  7  and name C1' )
       (resid  7  and name C2' )
       (resid  7  and name C3' )
       (resid  7  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  8  and name C1' )
       (resid  8  and name C2' )
       (resid  8  and name C3' )
       (resid  8  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  9  and name C1' )
       (resid  9  and name C2' )
       (resid  9  and name C3' )
       (resid  9  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  10  and name C1' )
       (resid  10  and name C2' )
       (resid  10  and name C3' )
       (resid  10  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  15  and name C1' )
       (resid  15  and name C2' )
       (resid  15  and name C3' )
       (resid  15  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  16  and name C1' )
       (resid  16  and name C2' )
       (resid  16  and name C3' )
       (resid  16  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  17  and name C1' )
       (resid  17  and name C2' )
       (resid  17  and name C3' )
       (resid  17  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  18  and name C1' )
       (resid  18  and name C2' )
       (resid  18  and name C3' )
       (resid  18  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  23  and name C1' )
       (resid  23  and name C2' )
       (resid  23  and name C3' )
       (resid  23  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  24  and name C1' )
       (resid  24  and name C2' )
       (resid  24  and name C3' )
       (resid  24  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  25  and name C1' )
       (resid  25  and name C2' )
       (resid  25  and name C3' )
       (resid  25  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  26  and name C1' )
       (resid  26  and name C2' )
       (resid  26  and name C3' )
       (resid  26  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  27  and name C1' )
       (resid  27  and name C2' )
       (resid  27  and name C3' )
       (resid  27  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  32  and name C1' )
       (resid  32  and name C2' )
       (resid  32  and name C3' )
       (resid  32  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  33  and name C1' )
       (resid  33  and name C2' )
       (resid  33  and name C3' )
       (resid  33  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  34  and name C1' )
       (resid  34  and name C2' )
       (resid  34  and name C3' )
       (resid  34  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  35  and name C1' )
       (resid  35  and name C2' )
       (resid  35  and name C3' )
       (resid  35  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  36  and name C1' )
       (resid  36  and name C2' )
       (resid  36  and name C3' )
       (resid  36  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  37  and name C1' )
       (resid  37  and name C2' )
       (resid  37  and name C3' )
       (resid  37  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  38  and name C1' )
       (resid  38  and name C2' )
       (resid  38  and name C3' )
       (resid  38  and name C4' )
1  $dih_value_V4  $dih_range_v4 2

assign (resid  39  and name C1' )
       (resid  39  and name C2' )
       (resid  39  and name C3' )
       (resid  39  and name C4' )
1  $dih_value_V4  $dih_range_v4 2


end
set echo=off message=normal end




{residual diploar couplings}

assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 5 and name C1' )
       (resid 5 and name H1' ) -1.7 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 29 and name C1' )
       (resid 29 and name H1' ) -1.2 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 32 and name C1' )
       (resid 32 and name H1' ) -3.0 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 35 and name C1' )
       (resid 35 and name H1' ) 0.6 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 40 and name C1' )
       (resid 40 and name H1' ) 0.6 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 9 and name C1' )
       (resid 9 and name H1' ) 0.5 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 13 and name C1' )
       (resid 13 and name H1' ) 0.5 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 20 and name C1' )
       (resid 20 and name H1' ) 1.6 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 21 and name C1' )
       (resid 21 and name H1' ) 1.0 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 5 and name C3' )
       (resid 5 and name H3' ) 1.2 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 29 and name C3' )
       (resid 29 and name H3' ) 0.7 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 32 and name C3' )
       (resid 32 and name H3' ) -0.3 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 35 and name C3' )
       (resid 35 and name H3' ) -0.2 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 40 and name C3' )
       (resid 40 and name H3' ) 0.0 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 9 and name C3' )
       (resid 9 and name H3' ) -0.7 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 12 and name C3' )
       (resid 12 and name H3' ) 0.2 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 13 and name C3' )
       (resid 13 and name H3' ) 1.1 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 21 and name C3' )
       (resid 21 and name H3' ) 1.6 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 5 and name C4' )
       (resid 5 and name H4' ) 0.1 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 29 and name C4' )
       (resid 29 and name H4' ) 2.1 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 32 and name C4' )
       (resid 32 and name H4' ) -0.6 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 35 and name C4' )
       (resid 35 and name H4' ) 0.6 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 40 and name C4' )
       (resid 40 and name H4' ) 1.4 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 9 and name C4' )
       (resid 9 and name H4' ) 3.1 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 12 and name C4' )
       (resid 12 and name H4' ) 1.8 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 13 and name C4' )
       (resid 13 and name H4' ) 2.3 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 20 and name C4' )
       (resid 20 and name H4' ) 1.8 0.8
 
assign (resid 500 and name OO )
       (resid 500 and name X )
       (resid 500 and name Y )
       (resid 500 and name Z )
       (resid 21 and name C4' )
       (resid 21 and name H4' ) 2.3 0.8
 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1 -14.399 -28.674 -10.945
    2   2H5*    G   1          2H5*        G   1 -15.501 -27.294 -10.672
    3    H4*    G   1           H4*        G   1 -15.252 -28.517  -8.579
    4    H3*    G   1           H3*        G   1 -14.117 -25.828  -8.803
    5    H1*    G   1           H1*        G   1 -12.401 -28.877  -6.782
    6    H8     G   1           H8         G   1 -11.142 -27.863 -10.257
    7    H1     G   1           H1         G   1  -6.483 -28.151  -5.906
    8   1H2     G   1          1H2         G   1  -7.372 -28.463  -3.863
    9   2H2     G   1          2H2         G   1  -9.096 -28.594  -3.602
   10   1H2*    G   1          1H2*        G   1 -12.228 -26.068  -7.572
   11   2H2*    G   1          2H2*        G   1 -13.180 -26.798  -6.251
   12   1H5*    C   2          1H5*        C   2 -15.174 -27.028  -4.536
   13   2H5*    C   2          2H5*        C   2 -16.128 -25.757  -3.733
   14    H4*    C   2           H4*        C   2 -14.294 -26.712  -2.274
   15    H3*    C   2           H3*        C   2 -14.633 -23.836  -2.857
   16    H1*    C   2           H1*        C   2 -11.132 -25.761  -2.394
   17   1H4     C   2          1H4         C   2  -7.700 -22.924  -6.985
   18   2H4     C   2          2H4         C   2  -9.109 -22.723  -8.003
   19    H5     C   2           H5         C   2 -11.337 -23.373  -7.319
   20    H6     C   2           H6         C   2 -12.687 -24.351  -5.511
   21   1H2*    C   2          1H2*        C   2 -12.460 -23.188  -2.787
   22   2H2*    C   2          2H2*        C   2 -12.212 -24.104  -1.276
   23   1H5*    A   3          1H5*        A   3 -12.756 -25.016   1.252
   24   2H5*    A   3          2H5*        A   3 -13.427 -23.978   2.532
   25    H4*    A   3           H4*        A   3 -10.946 -24.301   2.754
   26    H3*    A   3           H3*        A   3 -12.213 -21.629   2.497
   27    H1*    A   3           H1*        A   3  -8.608 -22.752   1.136
   28    H8     A   3           H8         A   3 -11.679 -21.592  -0.963
   29   1H6     A   3          1H6         A   3  -7.566 -19.327  -4.953
   30   2H6     A   3          2H6         A   3  -9.266 -19.610  -4.652
   31    H2     A   3           H2         A   3  -5.325 -20.928  -1.401
   32   1H2*    A   3          1H2*        A   3 -10.455 -20.525   1.570
   33   2H2*    A   3          2H2*        A   3  -9.328 -21.289   2.722
   34   1H5*    C   4          1H5*        C   4  -8.412 -22.062   5.144
   35   2H5*    C   4          2H5*        C   4  -8.607 -21.114   6.639
   36    H4*    C   4           H4*        C   4  -6.315 -20.871   5.652
   37    H3*    C   4           H3*        C   4  -8.127 -18.551   6.087
   38    H1*    C   4           H1*        C   4  -5.410 -18.992   3.183
   39   1H4     C   4          1H4         C   4  -8.575 -16.319  -1.691
   40   2H4     C   4          2H4         C   4 -10.124 -16.755  -1.005
   41    H5     C   4           H5         C   4 -10.362 -17.845   1.137
   42    H6     C   4           H6         C   4  -9.166 -18.770   3.072
   43   1H2*    C   4          1H2*        C   4  -7.237 -17.170   4.526
   44   2H2*    C   4          2H2*        C   4  -5.582 -17.630   4.986
   45   1H5*    T   5          1H5*        T   5  -3.595 -18.100   6.744
   46   2H5*    T   5          2H5*        T   5  -3.223 -17.069   8.145
   47    H4*    T   5           H4*        T   5  -1.737 -16.623   6.144
   48    H3*    T   5           H3*        T   5  -3.145 -14.563   7.646
   49   1H2*    T   5          1H2*        T   5  -4.041 -13.380   5.918
   50   2H2*    T   5          2H2*        T   5  -2.359 -13.081   5.395
   51    H1*    T   5           H1*        T   5  -2.449 -14.627   3.722
   52    H3     T   5           H3         T   5  -5.610 -13.133   0.851
   53   1H5M    T   5          1H5M        T   5  -8.213 -14.865   5.323
   54   2H5M    T   5          2H5M        T   5  -8.882 -15.341   3.747
   55   3H5M    T   5          3H5M        T   5  -8.935 -13.642   4.256
   56    H6     T   5           H6         T   5  -5.853 -15.076   5.251
   57   1H5*    G   6          1H5*        G   6   0.626 -13.288   5.544
   58   2H5*    G   6          2H5*        G   6   1.787 -12.392   6.563
   59    H4*    G   6           H4*        G   6   1.648 -11.458   4.259
   60    H3*    G   6           H3*        G   6   1.066  -9.857   6.624
   61    H1*    G   6           H1*        G   6  -0.680  -9.609   3.042
   62    H8     G   6           H8         G   6  -2.750 -10.702   6.185
   63    H1     G   6           H1         G   6  -6.251  -8.483   1.343
   64   1H2     G   6          1H2         G   6  -4.912  -7.829  -0.335
   65   2H2     G   6          2H2         G   6  -3.171  -7.957  -0.245
   66   1H2*    G   6          1H2*        G   6  -0.867  -8.849   5.927
   67   2H2*    G   6          2H2*        G   6   0.083  -8.127   4.604
   68   1H5*    C   7          1H5*        C   7   1.941  -8.160   2.723
   69   2H5*    C   7          2H5*        C   7   3.395  -7.136   2.646
   70    H4*    C   7           H4*        C   7   1.814  -6.420   0.914
   71    H3*    C   7           H3*        C   7   2.646  -4.608   3.038
   72    H1*    C   7           H1*        C   7  -0.915  -4.794   1.255
   73   1H4     C   7          1H4         C   7  -5.629  -4.865   5.570
   74   2H4     C   7          2H4         C   7  -4.564  -5.446   6.831
   75    H5     C   7           H5         C   7  -2.206  -5.829   6.497
   76    H6     C   7           H6         C   7  -0.360  -5.742   4.886
   77   1H2*    C   7          1H2*        C   7   0.607  -3.733   3.606
   78   2H2*    C   7          2H2*        C   7   0.499  -3.120   1.935
   79   1H5*    A   8          1H5*        A   8   1.271  -2.909  -1.069
   80   2H5*    A   8          2H5*        A   8   2.595  -1.896  -1.698
   81    H4*    A   8           H4*        A   8   0.481  -0.963  -2.486
   82    H3*    A   8           H3*        A   8   2.186   0.559  -0.667
   83    H1*    A   8           H1*        A   8  -1.809   0.574  -0.878
   84    H8     A   8           H8         A   8   0.183  -0.378   2.363
   85   1H6     A   8          1H6         A   8  -5.176  -0.056   5.313
   86   2H6     A   8          2H6         A   8  -3.456  -0.338   5.462
   87    H2     A   8           H2         A   8  -5.950   0.833   0.961
   88   1H2*    A   8          1H2*        A   8   0.591   1.448   0.683
   89   2H2*    A   8          2H2*        A   8  -0.152   2.169  -0.765
   90   1H5*    T   9          1H5*        T   9   4.251   1.868  -4.321
   91   2H5*    T   9          2H5*        T   9   3.970   0.367  -3.407
   92    H4*    T   9           H4*        T   9   6.356   0.568  -3.778
   93    H3*    T   9           H3*        T   9   5.336   0.811  -1.021
   94   1H2*    T   9          1H2*        T   9   6.756   2.367  -0.267
   95   2H2*    T   9          2H2*        T   9   8.113   1.327  -0.768
   96    H1*    T   9           H1*        T   9   8.495   2.473  -2.676
   97    H3     T   9           H3         T   9   9.700   6.410  -0.642
   98   1H5M    T   9          1H5M        T   9   4.320   6.395  -0.702
   99   2H5M    T   9          2H5M        T   9   4.915   7.575  -1.882
  100   3H5M    T   9          3H5M        T   9   5.271   7.795  -0.163
  101    H6     T   9           H6         T   9   5.470   4.592  -2.044
  102   1H5*    C  10          1H5*        C  10   9.437  -0.663  -2.022
  103   2H5*    C  10          2H5*        C  10   9.822  -2.279  -1.385
  104    H4*    C  10           H4*        C  10  11.835  -0.727  -1.476
  105    H3*    C  10           H3*        C  10  11.009  -2.286   0.828
  106    H1*    C  10           H1*        C  10  12.444   1.466   0.974
  107   1H4     C  10          1H4         C  10   8.263   4.805   4.523
  108   2H4     C  10          2H4         C  10   6.948   3.743   4.071
  109    H5     C  10           H5         C  10   7.226   1.839   2.602
  110    H6     C  10           H6         C  10   8.852   0.455   1.410
  111   1H2*    C  10          1H2*        C  10  11.028  -0.702   2.452
  112   2H2*    C  10          2H2*        C  10  12.769  -0.498   2.117
  113   1H5*    C  11          1H5*        C  11  15.858  -1.513   1.129
  114   2H5*    C  11          2H5*        C  11  16.478  -2.615   2.372
  115    H4*    C  11           H4*        C  11  16.648   0.065   2.633
  116    H3*    C  11           H3*        C  11  16.450  -2.055   4.694
  117    H1*    C  11           H1*        C  11  14.944   1.616   4.634
  118   1H4     C  11          1H4         C  11   9.160   1.428   7.294
  119   2H4     C  11          2H4         C  11   8.840  -0.174   6.669
  120    H5     C  11           H5         C  11  10.457  -1.438   5.381
  121    H6     C  11           H6         C  11  12.739  -1.444   4.460
  122   1H2*    C  11          1H2*        C  11  15.010  -0.989   6.087
  123   2H2*    C  11          2H2*        C  11  16.134   0.391   6.145
  124   1H5*    T  12          1H5*        T  12  19.683   1.087   8.180
  125   2H5*    T  12          2H5*        T  12  18.322   0.199   8.907
  126    H4*    T  12           H4*        T  12  18.333   2.534   9.746
  127    H3*    T  12           H3*        T  12  16.077   1.398   8.382
  128   1H2*    T  12          1H2*        T  12  15.645   2.958   6.790
  129   2H2*    T  12          2H2*        T  12  15.371   4.119   8.116
  130    H1*    T  12           H1*        T  12  17.365   5.165   7.747
  131    H3     T  12           H3         T  12  16.410   6.078   3.312
  132   1H5M    T  12          1H5M        T  12  19.365   2.768   1.898
  133   2H5M    T  12          2H5M        T  12  20.492   2.815   3.272
  134   3H5M    T  12          3H5M        T  12  19.214   1.574   3.207
  135    H6     T  12           H6         T  12  18.936   2.683   5.629
  136   1H5*    T  13          1H5*        T  13  14.278   4.104  11.052
  137   2H5*    T  13          2H5*        T  13  14.448   4.033  12.822
  138    H4*    T  13           H4*        T  13  12.145   4.782  12.202
  139    H3*    T  13           H3*        T  13  12.637   2.473  13.885
  140   1H2*    T  13          1H2*        T  13  11.269   0.964  12.917
  141   2H2*    T  13          2H2*        T  13   9.916   2.068  13.285
  142    H1*    T  13           H1*        T  13   9.764   2.781  11.117
  143    H3     T  13           H3         T  13   8.832  -1.272   9.184
  144   1H5M    T  13          1H5M        T  13  13.330  -2.057   8.210
  145   2H5M    T  13          2H5M        T  13  14.043  -0.442   8.430
  146   3H5M    T  13          3H5M        T  13  13.990  -1.585   9.794
  147    H6     T  13           H6         T  13  12.923   1.022  10.308
  148   1H5*    G  14          1H5*        G  14  11.601   7.953  15.669
  149   2H5*    G  14          2H5*        G  14  10.012   8.268  14.930
  150    H4*    G  14           H4*        G  14  12.787   8.346  13.781
  151    H3*    G  14           H3*        G  14  10.558  10.098  13.661
  152    H1*    G  14           H1*        G  14  11.859   8.004  10.606
  153    H8     G  14           H8         G  14   8.201   7.049  11.674
  154    H1     G  14           H1         G  14  10.802   3.325   7.209
  155   1H2     G  14          1H2         G  14  12.935   3.968   6.855
  156   2H2     G  14          2H2         G  14  13.661   5.301   7.727
  157   1H2*    G  14          1H2*        G  14   9.368   9.037  11.965
  158   2H2*    G  14          2H2*        G  14  10.542   9.880  10.920
  159   1H5*    G  15          1H5*        G  15  14.581  10.545  11.214
  160   2H5*    G  15          2H5*        G  15  14.962  12.223  10.740
  161    H4*    G  15           H4*        G  15  15.919  10.482   9.193
  162    H3*    G  15           H3*        G  15  14.264  12.695   8.281
  163    H1*    G  15           H1*        G  15  14.439   9.006   6.824
  164    H8     G  15           H8         G  15  11.064  10.193   8.428
  165    H1     G  15           H1         G  15  10.569   5.196   4.499
  166   1H2     G  15          1H2         G  15  12.588   4.700   3.645
  167   2H2     G  15          2H2         G  15  14.026   5.604   4.063
  168   1H2*    G  15          1H2*        G  15  12.789  11.511   6.981
  169   2H2*    G  15          2H2*        G  15  14.184  11.116   5.943
  170   1H5*    A  16          1H5*        A  16  17.308  10.432   5.916
  171   2H5*    A  16          2H5*        A  16  18.435  11.341   4.885
  172    H4*    A  16           H4*        A  16  17.901   9.025   4.015
  173    H3*    A  16           H3*        A  16  17.782  11.463   2.425
  174    H1*    A  16           H1*        A  16  15.484   8.257   2.175
  175    H8     A  16           H8         A  16  13.712  11.517   3.402
  176   1H6     A  16          1H6         A  16   8.583   9.015   1.083
  177   2H6     A  16          2H6         A  16   9.249  10.388   1.937
  178    H2     A  16           H2         A  16  12.015   6.199   0.295
  179   1H2*    A  16          1H2*        A  16  15.676  11.195   1.559
  180   2H2*    A  16          2H2*        A  16  16.341   9.792   0.689
  181   1H5*    C  17          1H5*        C  17  17.512   7.320   1.046
  182   2H5*    C  17          2H5*        C  17  18.922   6.877   0.065
  183    H4*    C  17           H4*        C  17  17.127   5.325  -0.461
  184    H3*    C  17           H3*        C  17  18.162   7.107  -2.523
  185    H1*    C  17           H1*        C  17  14.445   5.743  -2.086
  186   1H4     C  17          1H4         C  17  10.186  10.488  -2.753
  187   2H4     C  17          2H4         C  17  11.332  11.678  -2.174
  188    H5     C  17           H5         C  17  13.608  11.146  -1.594
  189    H6     C  17           H6         C  17  15.276   9.362  -1.418
  190   1H2*    C  17          1H2*        C  17  16.167   7.788  -3.437
  191   2H2*    C  17          2H2*        C  17  15.879   6.074  -3.847
  192   1H5*    G  18          1H5*        G  18  16.075   3.445  -3.681
  193   2H5*    G  18          2H5*        G  18  16.955   2.300  -4.735
  194    H4*    G  18           H4*        G  18  14.535   2.353  -5.269
  195    H3*    G  18           H3*        G  18  16.567   2.982  -7.245
  196    H1*    G  18           H1*        G  18  12.945   4.506  -6.883
  197    H8     G  18           H8         G  18  15.871   7.045  -6.195
  198    H1     G  18           H1         G  18  10.228   9.657  -7.619
  199   1H2     G  18          1H2         G  18   8.725   8.032  -8.028
  200   2H2     G  18          2H2         G  18   9.144   6.335  -7.949
  201   1H2*    G  18          1H2*        G  18  15.720   5.014  -7.944
  202   2H2*    G  18          2H2*        G  18  14.383   4.057  -8.634
  203   1H5*    C  19          1H5*        C  19  14.980   1.441 -11.560
  204   2H5*    C  19          2H5*        C  19  15.354   2.543 -10.239
  205    H4*    C  19           H4*        C  19  12.991   1.166  -9.421
  206    H3*    C  19           H3*        C  19  12.901   1.102 -12.242
  207    H1*    C  19           H1*        C  19  11.239   4.022 -10.131
  208   1H4     C  19          1H4         C  19  13.251   9.759 -12.170
  209   2H4     C  19          2H4         C  19  14.900   9.191 -12.313
  210    H5     C  19           H5         C  19  15.564   6.924 -11.822
  211    H6     C  19           H6         C  19  14.779   4.695 -11.172
  212   1H2*    C  19          1H2*        C  19  12.699   3.369 -12.680
  213   2H2*    C  19          2H2*        C  19  11.001   3.070 -12.228
  214   1H5*    T  20          1H5*        T  20   8.037   0.671 -14.003
  215   2H5*    T  20          2H5*        T  20   9.413   1.494 -14.768
  216    H4*    T  20           H4*        T  20   7.409   2.774 -15.246
  217    H3*    T  20           H3*        T  20   9.595   4.000 -14.067
  218   1H2*    T  20          1H2*        T  20   8.947   4.284 -11.873
  219   2H2*    T  20          2H2*        T  20   7.924   5.594 -12.518
  220    H1*    T  20           H1*        T  20   6.022   4.394 -12.122
  221    H3     T  20           H3         T  20   7.500   3.414  -7.700
  222   1H5M    T  20          1H5M        T  20   6.949  -1.098  -8.716
  223   2H5M    T  20          2H5M        T  20   5.734  -0.929 -10.006
  224   3H5M    T  20          3H5M        T  20   7.454  -1.144 -10.421
  225    H6     T  20           H6         T  20   6.685   1.020 -11.808
  226   1H5*    T  21          1H5*        T  21   8.020   7.539 -14.384
  227   2H5*    T  21          2H5*        T  21   7.269   8.055 -15.909
  228    H4*    T  21           H4*        T  21   8.195   9.934 -14.422
  229    H3*    T  21           H3*        T  21   8.416   9.742 -17.294
  230   1H2*    T  21          1H2*        T  21  10.659   9.779 -17.574
  231   2H2*    T  21          2H2*        T  21  10.589  11.454 -16.961
  232    H1*    T  21           H1*        T  21  11.466  10.857 -14.930
  233    H3     T  21           H3         T  21  15.405   9.291 -16.728
  234   1H5M    T  21          1H5M        T  21  13.982   4.869 -16.349
  235   2H5M    T  21          2H5M        T  21  12.950   5.060 -14.913
  236   3H5M    T  21          3H5M        T  21  12.221   5.040 -16.538
  237    H6     T  21           H6         T  21  11.227   7.252 -15.441
  238   1H5*    G  22          1H5*        G  22   4.742  13.736 -15.980
  239   2H5*    G  22          2H5*        G  22   5.674  15.082 -15.294
  240    H4*    G  22           H4*        G  22   3.703  13.487 -14.016
  241    H3*    G  22           H3*        G  22   5.406  15.683 -13.187
  242    H1*    G  22           H1*        G  22   5.773  12.116 -11.280
  243    H8     G  22           H8         G  22   8.171  14.509 -13.228
  244    H1     G  22           H1         G  22  10.856   9.038 -11.380
  245   1H2     G  22          1H2         G  22   9.292   7.661 -10.533
  246   2H2     G  22          2H2         G  22   7.607   8.118 -10.423
  247   1H2*    G  22          1H2*        G  22   6.557  14.863 -11.429
  248   2H2*    G  22          2H2*        G  22   5.061  14.207 -10.734
  249   1H5*    C  23          1H5*        C  23   3.373  11.483 -12.477
  250   2H5*    C  23          2H5*        C  23   1.781  11.616 -11.707
  251    H4*    C  23           H4*        C  23   2.998   9.594 -10.934
  252    H3*    C  23           H3*        C  23   2.000  11.638  -9.080
  253    H1*    C  23           H1*        C  23   5.126   9.246  -8.807
  254   1H4     C  23          1H4         C  23  10.622  12.003  -7.132
  255   2H4     C  23          2H4         C  23   9.980  13.617  -7.334
  256    H5     C  23           H5         C  23   7.700  14.055  -8.025
  257    H6     C  23           H6         C  23   5.566  13.038  -8.675
  258   1H2*    C  23          1H2*        C  23   3.850  11.752  -7.718
  259   2H2*    C  23          2H2*        C  23   3.550  10.039  -7.326
  260   1H5*    G  24          1H5*        G  24   2.072   7.011  -8.042
  261   2H5*    G  24          2H5*        G  24   0.462   6.615  -7.375
  262    H4*    G  24           H4*        G  24   2.036   5.092  -6.378
  263    H3*    G  24           H3*        G  24   1.006   7.241  -4.652
  264    H1*    G  24           H1*        G  24   4.601   5.463  -4.546
  265    H8     G  24           H8         G  24   3.852   9.280  -4.697
  266    H1     G  24           H1         G  24  10.021   8.047  -3.815
  267   1H2     G  24          1H2         G  24  10.418   5.859  -3.911
  268   2H2     G  24          2H2         G  24   9.153   4.684  -4.188
  269   1H2*    G  24          1H2*        G  24   2.829   7.573  -3.371
  270   2H2*    G  24          2H2*        G  24   2.899   5.830  -3.021
  271   1H5*    C  25          1H5*        C  25  -1.505   3.333  -4.620
  272   2H5*    C  25          2H5*        C  25  -2.047   4.350  -5.970
  273    H4*    C  25           H4*        C  25  -4.029   3.238  -5.313
  274    H3*    C  25           H3*        C  25  -3.860   6.035  -4.543
  275    H1*    C  25           H1*        C  25  -5.547   3.073  -2.444
  276   1H4     C  25          1H4         C  25  -3.658   4.201   3.627
  277   2H4     C  25          2H4         C  25  -1.988   4.048   3.129
  278    H5     C  25           H5         C  25  -1.317   3.775   0.831
  279    H6     C  25           H6         C  25  -2.096   3.594  -1.488
  280   1H2*    C  25          1H2*        C  25  -4.512   5.874  -2.363
  281   2H2*    C  25          2H2*        C  25  -6.072   5.254  -2.968
  282   1H5*    C  26          1H5*        C  26  -8.286   4.828  -4.770
  283   2H5*    C  26          2H5*        C  26  -9.112   5.916  -5.911
  284    H4*    C  26           H4*        C  26 -10.473   5.563  -3.855
  285    H3*    C  26           H3*        C  26  -9.666   8.196  -4.803
  286    H1*    C  26           H1*        C  26 -10.008   7.017  -1.001
  287   1H4     C  26          1H4         C  26  -4.811   8.912   2.212
  288   2H4     C  26          2H4         C  26  -3.824   8.887   0.768
  289    H5     C  26           H5         C  26  -4.690   8.324  -1.416
  290    H6     C  26           H6         C  26  -6.694   7.689  -2.687
  291   1H2*    C  26          1H2*        C  26  -8.935   9.111  -2.844
  292   2H2*    C  26          2H2*        C  26 -10.585   8.874  -2.209
  293   1H5*    A  27          1H5*        A  27 -13.170   8.044  -1.888
  294   2H5*    A  27          2H5*        A  27 -14.583   8.837  -2.624
  295    H4*    A  27           H4*        A  27 -14.603   9.319  -0.234
  296    H3*    A  27           H3*        A  27 -14.300  11.485  -2.166
  297    H1*    A  27           H1*        A  27 -12.666  11.216   1.465
  298    H8     A  27           H8         A  27 -10.401  11.338  -1.745
  299   1H6     A  27          1H6         A  27  -5.855  12.974   2.076
  300   2H6     A  27          2H6         A  27  -6.279  12.635   0.413
  301    H2     A  27           H2         A  27  -9.585  12.417   4.518
  302   1H2*    A  27          1H2*        A  27 -12.607  12.647  -1.160
  303   2H2*    A  27          2H2*        A  27 -13.689  12.854   0.241
  304   1H5*    C  28          1H5*        C  28 -16.341  12.218   1.835
  305   2H5*    C  28          2H5*        C  28 -17.380  13.629   2.114
  306    H4*    C  28           H4*        C  28 -15.378  13.195   3.749
  307    H3*    C  28           H3*        C  28 -16.357  15.783   2.711
  308    H1*    C  28           H1*        C  28 -12.785  14.568   3.789
  309   1H4     C  28          1H4         C  28  -8.175  17.002   0.130
  310   2H4     C  28          2H4         C  28  -9.162  16.925  -1.312
  311    H5     C  28           H5         C  28 -11.450  16.102  -1.308
  312    H6     C  28           H6         C  28 -13.293  15.278   0.102
  313   1H2*    C  28          1H2*        C  28 -14.308  16.692   2.283
  314   2H2*    C  28          2H2*        C  28 -13.968  16.550   4.027
  315   1H5*    T  29          1H5*        T  29 -15.346  18.017   7.972
  316   2H5*    T  29          2H5*        T  29 -14.990  19.076   6.586
  317    H4*    T  29           H4*        T  29 -13.108  19.230   8.126
  318    H3*    T  29           H3*        T  29 -12.705  18.411   5.474
  319   1H2*    T  29          1H2*        T  29 -12.220  16.172   5.765
  320   2H2*    T  29          2H2*        T  29 -10.623  16.799   6.256
  321    H1*    T  29           H1*        T  29 -11.000  16.386   8.464
  322    H3     T  29           H3         T  29 -11.281  11.819   7.759
  323   1H5M    T  29          1H5M        T  29 -15.928  11.930   8.145
  324   2H5M    T  29          2H5M        T  29 -16.155  13.470   9.006
  325   3H5M    T  29          3H5M        T  29 -16.253  13.420   7.227
  326    H6     T  29           H6         T  29 -14.494  15.399   8.092
  327   1H5*    T  30          1H5*        T  30  -8.653  19.370   6.401
  328   2H5*    T  30          2H5*        T  30  -8.394  20.928   7.221
  329    H4*    T  30           H4*        T  30  -6.398  20.256   5.865
  330    H3*    T  30           H3*        T  30  -7.657  22.816   5.687
  331   1H2*    T  30          1H2*        T  30  -8.283  22.872   3.491
  332   2H2*    T  30          2H2*        T  30  -6.535  22.940   3.132
  333    H1*    T  30           H1*        T  30  -6.491  20.757   2.424
  334    H3     T  30           H3         T  30  -9.517  21.388  -0.983
  335   1H5M    T  30          1H5M        T  30 -12.960  19.516   1.533
  336   2H5M    T  30          2H5M        T  30 -12.018  18.548   2.692
  337   3H5M    T  30          3H5M        T  30 -12.568  20.183   3.135
  338    H6     T  30           H6         T  30  -9.860  19.961   3.612
  339   1H5*    G  31          1H5*        G  31  -2.812  22.093   8.583
  340   2H5*    G  31          2H5*        G  31  -1.860  21.118   7.439
  341    H4*    G  31           H4*        G  31  -4.130  20.385   9.259
  342    H3*    G  31           H3*        G  31  -1.633  19.196   8.647
  343    H1*    G  31           H1*        G  31  -5.102  17.681   7.464
  344    H8     G  31           H8         G  31  -2.885  19.303   4.638
  345    H1     G  31           H1         G  31  -8.082  16.192   2.640
  346   1H2     G  31          1H2         G  31  -9.145  15.303   4.423
  347   2H2     G  31          2H2         G  31  -8.551  15.505   6.056
  348   1H2*    G  31          1H2*        G  31  -2.215  18.044   6.716
  349   2H2*    G  31          2H2*        G  31  -2.971  16.911   7.867
  350   1H5*    T  32          1H5*        T  32  -5.116  17.203  10.928
  351   2H5*    T  32          2H5*        T  32  -4.653  16.156  12.290
  352    H4*    T  32           H4*        T  32  -6.805  15.393  11.254
  353    H3*    T  32           H3*        T  32  -4.531  13.619  11.586
  354   1H2*    T  32          1H2*        T  32  -4.523  12.752   9.446
  355   2H2*    T  32          2H2*        T  32  -6.108  12.065   9.882
  356    H1*    T  32           H1*        T  32  -7.313  13.678   8.791
  357    H3     T  32           H3         T  32  -6.668  13.027   4.377
  358   1H5M    T  32          1H5M        T  32  -1.791  13.996   6.247
  359   2H5M    T  32          2H5M        T  32  -2.336  15.597   5.708
  360   3H5M    T  32          3H5M        T  32  -2.171  14.275   4.531
  361    H6     T  32           H6         T  32  -3.749  14.515   7.903
  362   1H5*    G  33          1H5*        G  33  -8.864  12.071  11.689
  363   2H5*    G  33          2H5*        G  33  -9.145  10.947  13.049
  364    H4*    G  33           H4*        G  33 -10.544  10.344  11.113
  365    H3*    G  33           H3*        G  33  -8.555   8.486  12.148
  366    H1*    G  33           H1*        G  33  -9.742   8.975   8.393
  367    H8     G  33           H8         G  33  -6.003   9.810   9.263
  368    H1     G  33           H1         G  33  -7.128   8.632   3.103
  369   1H2     G  33          1H2         G  33  -9.298   8.120   2.809
  370   2H2     G  33          2H2         G  33 -10.439   8.087   4.135
  371   1H2*    G  33          1H2*        G  33  -7.577   7.881  10.161
  372   2H2*    G  33          2H2*        G  33  -9.157   7.186   9.712
  373   1H5*    G  34          1H5*        G  34 -11.934   7.320   9.573
  374   2H5*    G  34          2H5*        G  34 -13.059   6.166  10.341
  375    H4*    G  34           H4*        G  34 -13.144   5.947   7.892
  376    H3*    G  34           H3*        G  34 -12.308   3.727   9.563
  377    H1*    G  34           H1*        G  34 -11.013   4.646   5.928
  378    H8     G  34           H8         G  34  -8.457   4.849   8.898
  379    H1     G  34           H1         G  34  -5.802   4.313   3.122
  380   1H2     G  34          1H2         G  34  -7.400   4.177   1.551
  381   2H2     G  34          2H2         G  34  -9.104   4.226   1.944
  382   1H2*    G  34          1H2*        G  34 -10.392   3.152   8.456
  383   2H2*    G  34          2H2*        G  34 -11.444   2.704   7.090
  384   1H5*    T  35          1H5*        T  35 -14.083   3.237   5.371
  385   2H5*    T  35          2H5*        T  35 -15.489   2.148   5.429
  386    H4*    T  35           H4*        T  35 -14.518   2.012   3.187
  387    H3*    T  35           H3*        T  35 -14.457  -0.300   4.965
  388   1H2*    T  35          1H2*        T  35 -12.386  -1.124   4.475
  389   2H2*    T  35          2H2*        T  35 -12.823  -1.152   2.754
  390    H1*    T  35           H1*        T  35 -11.696   0.788   2.275
  391    H3     T  35           H3         T  35  -7.308   0.463   3.338
  392   1H5M    T  35          1H5M        T  35  -9.360  -0.937   7.806
  393   2H5M    T  35          2H5M        T  35  -9.835   0.749   8.078
  394   3H5M    T  35          3H5M        T  35  -8.117   0.323   7.941
  395    H6     T  35           H6         T  35 -11.310   0.437   6.027
  396   1H5*    G  36          1H5*        G  36 -14.264  -0.571   0.617
  397   2H5*    G  36          2H5*        G  36 -15.306  -1.723  -0.265
  398    H4*    G  36           H4*        G  36 -13.042  -1.403  -1.317
  399    H3*    G  36           H3*        G  36 -14.108  -4.002  -0.543
  400    H1*    G  36           H1*        G  36 -10.309  -2.803  -0.406
  401    H8     G  36           H8         G  36 -12.192  -3.519   2.955
  402    H1     G  36           H1         G  36  -5.870  -4.286   3.232
  403   1H2     G  36          1H2         G  36  -4.973  -3.941   1.200
  404   2H2     G  36          2H2         G  36  -5.944  -3.515  -0.192
  405   1H2*    G  36          1H2*        G  36 -12.277  -4.848   0.534
  406   2H2*    G  36          2H2*        G  36 -11.415  -4.709  -1.018
  407   1H5*    C  37          1H5*        C  37 -11.164  -3.378  -3.941
  408   2H5*    C  37          2H5*        C  37 -11.587  -4.199  -5.460
  409    H4*    C  37           H4*        C  37  -9.100  -3.968  -5.151
  410    H3*    C  37           H3*        C  37 -10.457  -6.495  -5.696
  411    H1*    C  37           H1*        C  37  -7.265  -5.948  -3.335
  412   1H4     C  37          1H4         C  37  -8.394  -8.987   2.193
  413   2H4     C  37          2H4         C  37 -10.126  -8.877   1.974
  414    H5     C  37           H5         C  37 -11.151  -7.913   0.017
  415    H6     C  37           H6         C  37 -10.740  -6.836  -2.148
  416   1H2*    C  37          1H2*        C  37  -9.412  -7.839  -4.177
  417   2H2*    C  37          2H2*        C  37  -7.874  -7.418  -4.973
  418   1H5*    A  38          1H5*        A  38  -6.029  -6.135  -6.889
  419   2H5*    A  38          2H5*        A  38  -5.728  -6.753  -8.529
  420    H4*    A  38           H4*        A  38  -3.867  -7.344  -6.980
  421    H3*    A  38           H3*        A  38  -5.338  -9.323  -8.529
  422    H1*    A  38           H1*        A  38  -3.860  -9.758  -4.846
  423    H8     A  38           H8         A  38  -7.744  -9.830  -5.426
  424   1H6     A  38          1H6         A  38  -8.050 -12.660   0.021
  425   2H6     A  38          2H6         A  38  -8.970 -12.000  -1.313
  426    H2     A  38           H2         A  38  -3.709 -11.955  -0.928
  427   1H2*    A  38          1H2*        A  38  -5.750 -10.859  -6.883
  428   2H2*    A  38          2H2*        A  38  -3.985 -11.042  -6.733
  429   1H5*    G  39          1H5*        G  39  -1.432 -10.261  -6.662
  430   2H5*    G  39          2H5*        G  39  -0.188 -10.776  -7.837
  431    H4*    G  39           H4*        G  39   0.228 -11.848  -5.678
  432    H3*    G  39           H3*        G  39  -0.442 -13.471  -7.996
  433    H1*    G  39           H1*        G  39  -1.390 -14.143  -4.196
  434    H8     G  39           H8         G  39  -4.290 -13.468  -6.759
  435    H1     G  39           H1         G  39  -6.096 -16.329  -1.352
  436   1H2     G  39          1H2         G  39  -4.296 -16.711  -0.059
  437   2H2     G  39          2H2         G  39  -2.681 -16.244  -0.541
  438   1H2*    G  39          1H2*        G  39  -2.041 -14.807  -7.046
  439   2H2*    G  39          2H2*        G  39  -0.749 -15.432  -5.987
  440   1H5*    T  40          1H5*        T  40   1.560 -15.471  -4.489
  441   2H5*    T  40          2H5*        T  40   2.930 -16.517  -4.933
  442    H4*    T  40           H4*        T  40   1.579 -17.567  -3.149
  443    H3*    T  40           H3*        T  40   1.740 -18.811  -5.851
  444   1H2*    T  40          1H2*        T  40  -0.214 -20.034  -5.656
  445   2H2*    T  40          2H2*        T  40   0.271 -20.583  -4.027
  446    H1*    T  40           H1*        T  40  -0.963 -18.954  -2.961
  447    H3     T  40           H3         T  40  -5.288 -19.651  -4.058
  448   1H5M    T  40          1H5M        T  40  -3.084 -17.969  -8.620
  449   2H5M    T  40          2H5M        T  40  -3.784 -16.513  -7.885
  450   3H5M    T  40          3H5M        T  40  -4.837 -17.867  -8.338
  451    H6     T  40           H6         T  40  -1.567 -17.815  -6.506
  452   1H5*    G  41          1H5*        G  41   2.024 -21.299  -2.010
  453   2H5*    G  41          2H5*        G  41   3.151 -22.680  -2.146
  454    H4*    G  41           H4*        G  41   1.076 -23.231  -0.868
  455    H3*    G  41           H3*        G  41   1.742 -24.642  -3.406
  456    H1*    G  41           H1*        G  41  -1.816 -23.860  -1.775
  457    H8     G  41           H8         G  41  -0.652 -22.599  -5.284
  458    H1     G  41           H1         G  41  -6.918 -23.647  -4.759
  459   1H2     G  41          1H2         G  41  -7.372 -24.514  -2.730
  460   2H2     G  41          2H2         G  41  -6.122 -24.812  -1.543
  461   1H2*    G  41          1H2*        G  41  -0.387 -25.232  -3.965
  462   2H2*    G  41          2H2*        G  41  -0.701 -25.775  -2.295
  463   1H5*    C  42          1H5*        C  42  -0.112 -26.537   0.167
  464   2H5*    C  42          2H5*        C  42   0.598 -28.091   0.664
  465    H4*    C  42           H4*        C  42  -1.863 -28.031   1.067
  466    H3*    C  42           H3*        C  42  -0.609 -30.034  -0.735
  467    H1*    C  42           H1*        C  42  -4.257 -28.409  -1.081
  468   1H4     C  42          1H4         C  42  -4.520 -27.815  -7.451
  469   2H4     C  42          2H4         C  42  -2.782 -27.658  -7.570
  470    H5     C  42           H5         C  42  -1.309 -27.800  -5.664
  471    H6     C  42           H6         C  42  -1.181 -28.139  -3.234
  472   1H2*    C  42          1H2*        C  42  -2.429 -30.485  -2.024
  473   2H2*    C  42          2H2*        C  42  -3.487 -30.498  -0.588
  474   1HN1  NCO  43          1HN1      NCO  43   5.361  12.226   4.140
  475   2HN1  NCO  43          2HN1      NCO  43   6.946  11.919   4.053
  476   3HN1  NCO  43          3HN1      NCO  43   5.930  11.222   3.000
  477   1HN2  NCO  43          1HN2      NCO  43   6.226   8.364   7.184
  478   2HN2  NCO  43          2HN2      NCO  43   4.624   8.536   7.001
  479   3HN2  NCO  43          3HN2      NCO  43   5.446   7.539   6.029
  480   1HN3  NCO  43          1HN3      NCO  43   4.501  11.624   6.681
  481   2HN3  NCO  43          2HN3      NCO  43   5.562  10.834   7.615
  482   3HN3  NCO  43          3HN3      NCO  43   6.063  12.043   6.659
  483   1HN4  NCO  43          1HN4      NCO  43   3.640  10.357   3.877
  484   2HN4  NCO  43          2HN4      NCO  43   3.502   8.947   4.665
  485   3HN4  NCO  43          3HN4      NCO  43   3.257  10.338   5.452
  486   1HN5  NCO  43          1HN5      NCO  43   7.028   8.922   3.241
  487   2HN5  NCO  43          2HN5      NCO  43   6.284   7.729   4.037
  488   3HN5  NCO  43          3HN5      NCO  43   5.441   8.673   3.025
  489   1HN6  NCO  43          1HN6      NCO  43   7.903  10.283   6.624
  490   2HN6  NCO  43          2HN6      NCO  43   8.130   9.027   5.626
  491   3HN6  NCO  43          3HN6      NCO  43   8.278  10.536   5.068
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1 -10.442 -29.771  -6.321
    2   2H5*    G   1          2H5*        G   1 -11.649 -28.465  -6.489
    3    H4*    G   1           H4*        G   1 -11.641 -29.208  -4.171
    4    H3*    G   1           H3*        G   1 -10.622 -26.540  -4.807
    5    H1*    G   1           H1*        G   1  -9.021 -28.972  -1.999
    6    H8     G   1           H8         G   1  -7.410 -28.574  -5.457
    7    H1     G   1           H1         G   1  -3.297 -27.657  -0.662
    8   1H2     G   1          1H2         G   1  -4.408 -27.627   1.294
    9   2H2     G   1          2H2         G   1  -6.141 -27.834   1.389
   10   1H2*    G   1          1H2*        G   1  -8.906 -26.378  -3.334
   11   2H2*    G   1          2H2*        G   1  -9.985 -26.903  -2.016
   12   1H5*    C   2          1H5*        C   2 -12.187 -26.993  -0.593
   13   2H5*    C   2          2H5*        C   2 -13.305 -25.687  -0.134
   14    H4*    C   2           H4*        C   2 -11.611 -26.245   1.663
   15    H3*    C   2           H3*        C   2 -12.046 -23.538   0.564
   16    H1*    C   2           H1*        C   2  -8.527 -25.080   1.750
   17   1H4     C   2          1H4         C   2  -4.706 -22.756  -2.824
   18   2H4     C   2          2H4         C   2  -5.978 -22.852  -4.021
   19    H5     C   2           H5         C   2  -8.233 -23.559  -3.501
   20    H6     C   2           H6         C   2  -9.744 -24.329  -1.722
   21   1H2*    C   2          1H2*        C   2  -9.944 -22.714   0.780
   22   2H2*    C   2          2H2*        C   2  -9.837 -23.356   2.439
   23   1H5*    A   3          1H5*        A   3 -10.670 -23.986   4.929
   24   2H5*    A   3          2H5*        A   3 -11.532 -22.867   6.012
   25    H4*    A   3           H4*        A   3  -9.081 -23.003   6.531
   26    H3*    A   3           H3*        A   3 -10.451 -20.466   5.847
   27    H1*    A   3           H1*        A   3  -6.661 -21.488   5.001
   28    H8     A   3           H8         A   3  -9.519 -20.803   2.441
   29   1H6     A   3          1H6         A   3  -5.096 -18.761  -1.327
   30   2H6     A   3          2H6         A   3  -6.800 -19.125  -1.180
   31    H2     A   3           H2         A   3  -3.203 -19.756   2.627
   32   1H2*    A   3          1H2*        A   3  -8.683 -19.367   4.940
   33   2H2*    A   3          2H2*        A   3  -7.637 -19.885   6.290
   34   1H5*    C   4          1H5*        C   4  -6.910 -20.267   8.865
   35   2H5*    C   4          2H5*        C   4  -7.369 -19.211  10.222
   36    H4*    C   4           H4*        C   4  -5.021 -18.794   9.505
   37    H3*    C   4           H3*        C   4  -7.092 -16.668   9.395
   38    H1*    C   4           H1*        C   4  -3.967 -17.146   6.942
   39   1H4     C   4          1H4         C   4  -6.585 -15.610   1.315
   40   2H4     C   4          2H4         C   4  -8.179 -16.085   1.855
   41    H5     C   4           H5         C   4  -8.645 -16.837   4.101
   42    H6     C   4           H6         C   4  -7.676 -17.338   6.301
   43   1H2*    C   4          1H2*        C   4  -6.172 -15.417   7.745
   44   2H2*    C   4          2H2*        C   4  -4.555 -15.578   8.463
   45   1H5*    T   5          1H5*        T   5  -2.755 -15.671  10.457
   46   2H5*    T   5          2H5*        T   5  -2.610 -14.433  11.725
   47    H4*    T   5           H4*        T   5  -0.953 -14.131   9.836
   48    H3*    T   5           H3*        T   5  -2.680 -12.024  10.865
   49   1H2*    T   5          1H2*        T   5  -3.476 -11.185   8.900
   50   2H2*    T   5          2H2*        T   5  -1.777 -10.801   8.505
   51    H1*    T   5           H1*        T   5  -1.545 -12.564   7.090
   52    H3     T   5           H3         T   5  -4.443 -11.860   3.696
   53   1H5M    T   5          1H5M        T   5  -7.423 -13.122   8.089
   54   2H5M    T   5          2H5M        T   5  -7.860 -13.891   6.547
   55   3H5M    T   5          3H5M        T   5  -8.107 -12.148   6.771
   56    H6     T   5           H6         T   5  -5.068 -13.088   8.309
   57   1H5*    G   6          1H5*        G   6   1.256 -10.759   9.043
   58   2H5*    G   6          2H5*        G   6   2.193  -9.532   9.938
   59    H4*    G   6           H4*        G   6   2.199  -9.179   7.450
   60    H3*    G   6           H3*        G   6   1.354  -7.137   9.349
   61    H1*    G   6           H1*        G   6  -0.122  -7.818   5.706
   62    H8     G   6           H8         G   6  -2.381  -8.377   8.858
   63    H1     G   6           H1         G   6  -5.575  -7.501   3.416
   64   1H2     G   6          1H2         G   6  -4.136  -7.058   1.748
   65   2H2     G   6          2H2         G   6  -2.405  -7.001   1.998
   66   1H2*    G   6          1H2*        G   6  -0.584  -6.464   8.330
   67   2H2*    G   6          2H2*        G   6   0.420  -5.977   6.942
   68   1H5*    C   7          1H5*        C   7   2.525  -6.317   5.183
   69   2H5*    C   7          2H5*        C   7   3.844  -5.141   4.978
   70    H4*    C   7           H4*        C   7   2.362  -5.070   3.019
   71    H3*    C   7           H3*        C   7   2.794  -2.719   4.688
   72    H1*    C   7           H1*        C   7  -0.546  -3.768   2.772
   73   1H4     C   7          1H4         C   7  -5.583  -3.558   6.706
   74   2H4     C   7          2H4         C   7  -4.566  -3.630   8.128
   75    H5     C   7           H5         C   7  -2.159  -3.666   8.027
   76    H6     C   7           H6         C   7  -0.206  -3.672   6.547
   77   1H2*    C   7          1H2*        C   7   0.632  -1.982   4.866
   78   2H2*    C   7          2H2*        C   7   0.631  -1.824   3.089
   79   1H5*    A   8          1H5*        A   8   2.008  -2.253   0.017
   80   2H5*    A   8          2H5*        A   8   3.352  -1.253  -0.590
   81    H4*    A   8           H4*        A   8   1.420  -0.751  -1.970
   82    H3*    A   8           H3*        A   8   2.460   1.287  -0.152
   83    H1*    A   8           H1*        A   8  -1.396   0.699  -1.120
   84    H8     A   8           H8         A   8   0.213   0.662   2.445
   85   1H6     A   8          1H6         A   8  -5.434   0.402   4.720
   86   2H6     A   8          2H6         A   8  -3.723   0.482   5.074
   87    H2     A   8           H2         A   8  -5.796   0.434   0.224
   88   1H2*    A   8          1H2*        A   8   0.539   2.215   0.568
   89   2H2*    A   8          2H2*        A   8   0.065   2.483  -1.127
   90   1H5*    T   9          1H5*        T   9   3.679   2.069  -5.590
   91   2H5*    T   9          2H5*        T   9   3.200   1.009  -4.256
   92    H4*    T   9           H4*        T   9   5.662   0.865  -5.116
   93    H3*    T   9           H3*        T   9   4.713   0.763  -2.347
   94   1H2*    T   9          1H2*        T   9   6.274   2.032  -1.360
   95   2H2*    T   9          2H2*        T   9   7.519   0.949  -2.028
   96    H1*    T   9           H1*        T   9   8.081   2.398  -3.674
   97    H3     T   9           H3         T   9   9.414   5.912  -1.064
   98   1H5M    T   9          1H5M        T   9   4.097   6.290  -1.257
   99   2H5M    T   9          2H5M        T   9   4.678   7.371  -2.538
  100   3H5M    T   9          3H5M        T   9   5.116   7.686  -0.847
  101    H6     T   9           H6         T   9   5.178   4.551  -2.874
  102   1H5*    C  10          1H5*        C  10   8.725  -0.991  -3.244
  103   2H5*    C  10          2H5*        C  10   8.907  -2.679  -2.713
  104    H4*    C  10           H4*        C  10  10.971  -1.283  -2.270
  105    H3*    C  10           H3*        C  10   9.599  -2.931  -0.313
  106    H1*    C  10           H1*        C  10  11.276   0.640   0.399
  107   1H4     C  10          1H4         C  10   6.934   4.232   3.492
  108   2H4     C  10          2H4         C  10   5.608   3.308   2.823
  109    H5     C  10           H5         C  10   5.919   1.428   1.346
  110    H6     C  10           H6         C  10   7.563  -0.031   0.268
  111   1H2*    C  10          1H2*        C  10   9.413  -1.468   1.408
  112   2H2*    C  10          2H2*        C  10  11.194  -1.410   1.439
  113   1H5*    C  11          1H5*        C  11  14.366  -2.960   1.062
  114   2H5*    C  11          2H5*        C  11  14.390  -3.867   2.582
  115    H4*    C  11           H4*        C  11  14.605  -1.092   2.339
  116    H3*    C  11           H3*        C  11  13.939  -2.874   4.668
  117    H1*    C  11           H1*        C  11  12.574   0.726   3.678
  118   1H4     C  11          1H4         C  11   6.726   0.389   6.259
  119   2H4     C  11          2H4         C  11   6.504  -1.242   5.666
  120    H5     C  11           H5         C  11   8.227  -2.465   4.482
  121    H6     C  11           H6         C  11  10.550  -2.404   3.673
  122   1H2*    C  11          1H2*        C  11  12.727  -1.307   5.793
  123   2H2*    C  11          2H2*        C  11  13.893  -0.029   5.360
  124   1H5*    T  12          1H5*        T  12  17.091   0.141   8.153
  125   2H5*    T  12          2H5*        T  12  15.584  -0.591   8.755
  126    H4*    T  12           H4*        T  12  15.624   1.774   9.433
  127    H3*    T  12           H3*        T  12  13.571   0.749   7.662
  128   1H2*    T  12          1H2*        T  12  13.402   2.396   6.115
  129   2H2*    T  12          2H2*        T  12  13.212   3.590   7.426
  130    H1*    T  12           H1*        T  12  15.334   4.355   7.081
  131    H3     T  12           H3         T  12  15.057   4.668   2.445
  132   1H5M    T  12          1H5M        T  12  18.043   1.109   2.022
  133   2H5M    T  12          2H5M        T  12  18.648   0.933   3.686
  134   3H5M    T  12          3H5M        T  12  17.235  -0.008   3.147
  135    H6     T  12           H6         T  12  16.892   1.484   5.570
  136   1H5*    T  13          1H5*        T  13  11.170   3.271  10.238
  137   2H5*    T  13          2H5*        T  13  11.491   3.105  11.982
  138    H4*    T  13           H4*        T  13   9.100   3.719  11.523
  139    H3*    T  13           H3*        T  13   9.891   1.331  13.054
  140   1H2*    T  13          1H2*        T  13   8.311  -0.125  12.380
  141   2H2*    T  13          2H2*        T  13   7.048   1.087  12.717
  142    H1*    T  13           H1*        T  13   6.794   1.523  10.491
  143    H3     T  13           H3         T  13   6.283  -2.549   8.481
  144   1H5M    T  13          1H5M        T  13  10.882  -3.093   7.902
  145   2H5M    T  13          2H5M        T  13  11.480  -1.436   8.149
  146   3H5M    T  13          3H5M        T  13  11.390  -2.565   9.524
  147    H6     T  13           H6         T  13  10.133  -0.036   9.939
  148   1H5*    G  14          1H5*        G  14   9.033   6.783  15.134
  149   2H5*    G  14          2H5*        G  14   7.417   7.088  14.453
  150    H4*    G  14           H4*        G  14  10.146   7.159  13.206
  151    H3*    G  14           H3*        G  14   7.842   8.864  13.102
  152    H1*    G  14           H1*        G  14   9.340   6.808  10.103
  153    H8     G  14           H8         G  14   5.626   5.846  10.992
  154    H1     G  14           H1         G  14   8.429   2.186   6.589
  155   1H2     G  14          1H2         G  14  10.554   2.884   6.278
  156   2H2     G  14          2H2         G  14  11.224   4.239   7.159
  157   1H2*    G  14          1H2*        G  14   6.782   7.888  11.284
  158   2H2*    G  14          2H2*        G  14   8.052   8.712  10.338
  159   1H5*    G  15          1H5*        G  15  12.009   9.420  11.270
  160   2H5*    G  15          2H5*        G  15  12.533  11.109  11.028
  161    H4*    G  15           H4*        G  15  13.772   9.518   9.563
  162    H3*    G  15           H3*        G  15  12.209  11.729   8.480
  163    H1*    G  15           H1*        G  15  12.722   8.100   6.882
  164    H8     G  15           H8         G  15   9.178   9.309   8.026
  165    H1     G  15           H1         G  15   9.098   4.586   3.738
  166   1H2     G  15          1H2         G  15  11.195   4.016   3.181
  167   2H2     G  15          2H2         G  15  12.595   4.809   3.869
  168   1H2*    G  15          1H2*        G  15  11.116  10.622   6.801
  169   2H2*    G  15          2H2*        G  15  12.717  10.255   6.110
  170   1H5*    A  16          1H5*        A  16  15.867   9.969   6.661
  171   2H5*    A  16          2H5*        A  16  17.093  10.999   5.888
  172    H4*    A  16           H4*        A  16  16.866   8.753   4.780
  173    H3*    A  16           H3*        A  16  16.725  11.300   3.368
  174    H1*    A  16           H1*        A  16  14.721   7.959   2.580
  175    H8     A  16           H8         A  16  12.704  11.098   3.757
  176   1H6     A  16          1H6         A  16   7.911   8.556   0.890
  177   2H6     A  16          2H6         A  16   8.464   9.895   1.872
  178    H2     A  16           H2         A  16  11.497   5.863   0.289
  179   1H2*    A  16          1H2*        A  16  14.830  10.924   2.145
  180   2H2*    A  16          2H2*        A  16  15.722   9.612   1.344
  181   1H5*    C  17          1H5*        C  17  17.070   7.392   1.718
  182   2H5*    C  17          2H5*        C  17  18.576   7.043   0.846
  183    H4*    C  17           H4*        C  17  16.855   5.501   0.063
  184    H3*    C  17           H3*        C  17  18.062   7.433  -1.770
  185    H1*    C  17           H1*        C  17  14.360   5.973  -1.784
  186   1H4     C  17          1H4         C  17  10.087  10.647  -2.737
  187   2H4     C  17          2H4         C  17  11.146  11.850  -2.036
  188    H5     C  17           H5         C  17  13.365  11.350  -1.235
  189    H6     C  17           H6         C  17  15.053   9.597  -0.950
  190   1H2*    C  17          1H2*        C  17  16.164   8.103  -2.872
  191   2H2*    C  17          2H2*        C  17  15.957   6.403  -3.374
  192   1H5*    G  18          1H5*        G  18  16.317   3.732  -3.345
  193   2H5*    G  18          2H5*        G  18  17.387   2.685  -4.321
  194    H4*    G  18           H4*        G  18  15.053   2.611  -5.148
  195    H3*    G  18           H3*        G  18  17.260   3.465  -6.835
  196    H1*    G  18           H1*        G  18  13.524   4.736  -6.852
  197    H8     G  18           H8         G  18  16.160   7.420  -5.694
  198    H1     G  18           H1         G  18  10.612   9.731  -7.843
  199   1H2     G  18          1H2         G  18   9.293   8.030  -8.499
  200   2H2     G  18          2H2         G  18   9.806   6.360  -8.399
  201   1H2*    G  18          1H2*        G  18  16.363   5.467  -7.553
  202   2H2*    G  18          2H2*        G  18  15.182   4.461  -8.435
  203   1H5*    C  19          1H5*        C  19  16.414   2.105 -11.371
  204   2H5*    C  19          2H5*        C  19  16.537   3.140  -9.952
  205    H4*    C  19           H4*        C  19  14.167   1.667  -9.502
  206    H3*    C  19           H3*        C  19  14.452   1.551 -12.310
  207    H1*    C  19           H1*        C  19  12.381   4.412 -10.495
  208   1H4     C  19          1H4         C  19  14.330  10.233 -12.290
  209   2H4     C  19          2H4         C  19  16.014   9.765 -12.198
  210    H5     C  19           H5         C  19  16.734   7.524 -11.639
  211    H6     C  19           H6         C  19  15.991   5.249 -11.094
  212   1H2*    C  19          1H2*        C  19  14.173   3.795 -12.828
  213   2H2*    C  19          2H2*        C  19  12.450   3.409 -12.577
  214   1H5*    T  20          1H5*        T  20   9.755   0.710 -14.536
  215   2H5*    T  20          2H5*        T  20  11.118   1.629 -15.211
  216    H4*    T  20           H4*        T  20   9.069   2.716 -15.889
  217    H3*    T  20           H3*        T  20  11.037   4.145 -14.545
  218   1H2*    T  20          1H2*        T  20  10.147   4.416 -12.439
  219   2H2*    T  20          2H2*        T  20   9.120   5.646 -13.222
  220    H1*    T  20           H1*        T  20   7.262   4.337 -13.047
  221    H3     T  20           H3         T  20   8.063   3.806  -8.429
  222   1H5M    T  20          1H5M        T  20   8.364  -0.791  -9.106
  223   2H5M    T  20          2H5M        T  20   7.376  -0.909 -10.581
  224   3H5M    T  20          3H5M        T  20   9.153  -0.862 -10.699
  225    H6     T  20           H6         T  20   8.287   1.050 -12.381
  226   1H5*    T  21          1H5*        T  21   9.450   7.491 -14.964
  227   2H5*    T  21          2H5*        T  21   8.794   8.094 -16.498
  228    H4*    T  21           H4*        T  21   9.636   9.881 -14.858
  229    H3*    T  21           H3*        T  21  10.098   9.794 -17.726
  230   1H2*    T  21          1H2*        T  21  12.322  10.178 -17.847
  231   2H2*    T  21          2H2*        T  21  12.064  11.691 -16.940
  232    H1*    T  21           H1*        T  21  12.964  10.791 -15.045
  233    H3     T  21           H3         T  21  16.832   9.339 -17.208
  234   1H5M    T  21          1H5M        T  21  15.554   4.914 -16.545
  235   2H5M    T  21          2H5M        T  21  14.485   5.130 -15.139
  236   3H5M    T  21          3H5M        T  21  13.794   5.033 -16.778
  237    H6     T  21           H6         T  21  12.769   7.269 -15.632
  238   1H5*    G  22          1H5*        G  22   5.857  13.203 -16.908
  239   2H5*    G  22          2H5*        G  22   6.491  14.680 -16.155
  240    H4*    G  22           H4*        G  22   4.607  12.860 -15.089
  241    H3*    G  22           H3*        G  22   5.975  15.228 -14.055
  242    H1*    G  22           H1*        G  22   6.477  11.731 -12.092
  243    H8     G  22           H8         G  22   8.683  14.573 -13.608
  244    H1     G  22           H1         G  22  11.951   9.392 -11.869
  245   1H2     G  22          1H2         G  22  10.527   7.754 -11.272
  246   2H2     G  22          2H2         G  22   8.791   7.971 -11.303
  247   1H2*    G  22          1H2*        G  22   6.787  14.543 -12.058
  248   2H2*    G  22          2H2*        G  22   5.295  13.643 -11.713
  249   1H5*    C  23          1H5*        C  23   4.255  10.965 -13.460
  250   2H5*    C  23          2H5*        C  23   2.544  10.876 -13.007
  251    H4*    C  23           H4*        C  23   3.737   9.076 -11.891
  252    H3*    C  23           H3*        C  23   2.446  11.164 -10.279
  253    H1*    C  23           H1*        C  23   5.641   8.968  -9.562
  254   1H4     C  23          1H4         C  23  10.822  12.054  -7.512
  255   2H4     C  23          2H4         C  23  10.108  13.627  -7.783
  256    H5     C  23           H5         C  23   7.879  13.927  -8.689
  257    H6     C  23           H6         C  23   5.872  12.783  -9.509
  258   1H2*    C  23          1H2*        C  23   4.139  11.452  -8.744
  259   2H2*    C  23          2H2*        C  23   3.891   9.747  -8.289
  260   1H5*    G  24          1H5*        G  24   2.656   6.637  -9.099
  261   2H5*    G  24          2H5*        G  24   1.054   6.100  -8.519
  262    H4*    G  24           H4*        G  24   2.803   4.751  -7.468
  263    H3*    G  24           H3*        G  24   1.194   6.560  -5.819
  264    H1*    G  24           H1*        G  24   5.010   5.465  -5.319
  265    H8     G  24           H8         G  24   3.786   9.174  -5.549
  266    H1     G  24           H1         G  24   9.862   8.612  -3.725
  267   1H2     G  24          1H2         G  24  10.500   6.472  -3.793
  268   2H2     G  24          2H2         G  24   9.421   5.185  -4.280
  269   1H2*    G  24          1H2*        G  24   2.797   7.253  -4.377
  270   2H2*    G  24          2H2*        G  24   3.127   5.550  -3.983
  271   1H5*    C  25          1H5*        C  25  -2.152   6.255  -6.142
  272   2H5*    C  25          2H5*        C  25  -1.695   6.264  -4.422
  273    H4*    C  25           H4*        C  25  -3.742   4.393  -5.733
  274    H3*    C  25           H3*        C  25  -4.076   7.039  -4.574
  275    H1*    C  25           H1*        C  25  -5.000   3.555  -2.843
  276   1H4     C  25          1H4         C  25  -2.972   4.295   3.245
  277   2H4     C  25          2H4         C  25  -1.322   4.335   2.667
  278    H5     C  25           H5         C  25  -0.746   4.404   0.329
  279    H6     C  25           H6         C  25  -1.610   4.347  -1.969
  280   1H2*    C  25          1H2*        C  25  -4.476   6.465  -2.411
  281   2H2*    C  25          2H2*        C  25  -5.953   5.656  -2.999
  282   1H5*    C  26          1H5*        C  26  -8.373   5.417  -4.361
  283   2H5*    C  26          2H5*        C  26  -9.325   6.529  -5.373
  284    H4*    C  26           H4*        C  26 -10.463   6.153  -3.207
  285    H3*    C  26           H3*        C  26  -9.669   8.814  -4.108
  286    H1*    C  26           H1*        C  26  -9.709   7.432  -0.363
  287   1H4     C  26          1H4         C  26  -4.224   8.966   2.541
  288   2H4     C  26          2H4         C  26  -3.360   9.056   1.022
  289    H5     C  26           H5         C  26  -4.421   8.729  -1.123
  290    H6     C  26           H6         C  26  -6.534   8.212  -2.271
  291   1H2*    C  26          1H2*        C  26  -8.748   9.609  -2.173
  292   2H2*    C  26          2H2*        C  26 -10.339   9.367  -1.407
  293   1H5*    A  27          1H5*        A  27 -13.043   8.466  -0.991
  294   2H5*    A  27          2H5*        A  27 -14.471   9.353  -1.572
  295    H4*    A  27           H4*        A  27 -14.362   9.548   0.864
  296    H3*    A  27           H3*        A  27 -14.158  11.928  -0.824
  297    H1*    A  27           H1*        A  27 -12.373  11.234   2.673
  298    H8     A  27           H8         A  27 -10.202  11.731  -0.569
  299   1H6     A  27          1H6         A  27  -5.636  13.242   3.271
  300   2H6     A  27          2H6         A  27  -6.101  13.046   1.596
  301    H2     A  27           H2         A  27  -9.262  12.270   5.747
  302   1H2*    A  27          1H2*        A  27 -12.426  12.977   0.242
  303   2H2*    A  27          2H2*        A  27 -13.445  13.004   1.704
  304   1H5*    C  28          1H5*        C  28 -15.834  12.198   3.378
  305   2H5*    C  28          2H5*        C  28 -16.826  13.576   3.891
  306    H4*    C  28           H4*        C  28 -14.695  12.938   5.291
  307    H3*    C  28           H3*        C  28 -15.692  15.659   4.617
  308    H1*    C  28           H1*        C  28 -12.093  14.231   5.328
  309   1H4     C  28          1H4         C  28  -7.868  17.529   1.872
  310   2H4     C  28          2H4         C  28  -8.896  17.506   0.456
  311    H5     C  28           H5         C  28 -11.104  16.479   0.440
  312    H6     C  28           H6         C  28 -12.812  15.356   1.813
  313   1H2*    C  28          1H2*        C  28 -13.644  16.623   4.383
  314   2H2*    C  28          2H2*        C  28 -13.249  16.093   6.041
  315   1H5*    T  29          1H5*        T  29 -14.828  17.503   9.965
  316   2H5*    T  29          2H5*        T  29 -14.380  18.528   8.582
  317    H4*    T  29           H4*        T  29 -12.599  18.668  10.243
  318    H3*    T  29           H3*        T  29 -12.048  17.846   7.598
  319   1H2*    T  29          1H2*        T  29 -11.618  15.599   7.952
  320   2H2*    T  29          2H2*        T  29 -10.023  16.225   8.467
  321    H1*    T  29           H1*        T  29 -10.480  15.933  10.695
  322    H3     T  29           H3         T  29 -10.493  11.352  10.463
  323   1H5M    T  29          1H5M        T  29 -15.128  11.198  10.011
  324   2H5M    T  29          2H5M        T  29 -15.579  12.778  10.692
  325   3H5M    T  29          3H5M        T  29 -15.361  12.593   8.933
  326    H6     T  29           H6         T  29 -13.880  14.737   9.894
  327   1H5*    T  30          1H5*        T  30  -8.046  18.930   8.567
  328   2H5*    T  30          2H5*        T  30  -7.850  20.348   9.621
  329    H4*    T  30           H4*        T  30  -5.855  19.962   8.128
  330    H3*    T  30           H3*        T  30  -7.153  22.475   8.495
  331   1H2*    T  30          1H2*        T  30  -7.866  22.951   6.379
  332   2H2*    T  30          2H2*        T  30  -6.134  23.131   5.980
  333    H1*    T  30           H1*        T  30  -6.089  21.138   4.838
  334    H3     T  30           H3         T  30  -9.334  22.448   1.824
  335   1H5M    T  30          1H5M        T  30 -12.483  19.706   3.891
  336   2H5M    T  30          2H5M        T  30 -11.443  18.638   4.860
  337   3H5M    T  30          3H5M        T  30 -12.123  20.117   5.583
  338    H6     T  30           H6         T  30  -9.331  19.905   5.925
  339   1H5*    G  31          1H5*        G  31  -2.208  21.370  11.058
  340   2H5*    G  31          2H5*        G  31  -1.189  20.803   9.714
  341    H4*    G  31           H4*        G  31  -3.315  19.422  11.297
  342    H3*    G  31           H3*        G  31  -0.772  18.651  10.265
  343    H1*    G  31           H1*        G  31  -4.222  17.200   9.020
  344    H8     G  31           H8         G  31  -2.266  19.334   6.341
  345    H1     G  31           H1         G  31  -7.707  16.671   4.348
  346   1H2     G  31          1H2         G  31  -8.669  15.575   6.075
  347   2H2     G  31          2H2         G  31  -7.942  15.526   7.666
  348   1H2*    G  31          1H2*        G  31  -1.433  17.945   8.160
  349   2H2*    G  31          2H2*        G  31  -2.019  16.511   9.041
  350   1H5*    T  32          1H5*        T  32  -3.717  15.851  12.789
  351   2H5*    T  32          2H5*        T  32  -2.889  14.475  13.546
  352    H4*    T  32           H4*        T  32  -5.293  13.952  12.975
  353    H3*    T  32           H3*        T  32  -3.070  12.248  12.174
  354   1H2*    T  32          1H2*        T  32  -3.695  11.902  10.001
  355   2H2*    T  32          2H2*        T  32  -5.173  11.171  10.670
  356    H1*    T  32           H1*        T  32  -6.468  12.974  10.247
  357    H3     T  32           H3         T  32  -6.571  13.314   5.732
  358   1H5M    T  32          1H5M        T  32  -1.497  14.496   7.228
  359   2H5M    T  32          2H5M        T  32  -2.311  15.899   6.511
  360   3H5M    T  32          3H5M        T  32  -2.005  14.459   5.524
  361    H6     T  32           H6         T  32  -3.151  14.204   9.006
  362   1H5*    G  33          1H5*        G  33  -7.169  10.736  12.878
  363   2H5*    G  33          2H5*        G  33  -7.398   9.298  13.911
  364    H4*    G  33           H4*        G  33  -9.057   9.437  12.040
  365    H3*    G  33           H3*        G  33  -7.344   7.131  12.470
  366    H1*    G  33           H1*        G  33  -8.613   8.600   9.019
  367    H8     G  33           H8         G  33  -4.786   9.048   9.733
  368    H1     G  33           H1         G  33  -6.351   8.595   3.574
  369   1H2     G  33          1H2         G  33  -8.554   8.194   3.377
  370   2H2     G  33          2H2         G  33  -9.605   8.052   4.768
  371   1H2*    G  33          1H2*        G  33  -6.529   6.893  10.338
  372   2H2*    G  33          2H2*        G  33  -8.207   6.505   9.867
  373   1H5*    G  34          1H5*        G  34 -10.876   6.890   9.767
  374   2H5*    G  34          2H5*        G  34 -12.101   5.774  10.433
  375    H4*    G  34           H4*        G  34 -12.306   5.870   7.994
  376    H3*    G  34           H3*        G  34 -11.593   3.377   9.300
  377    H1*    G  34           H1*        G  34 -10.371   4.678   5.753
  378    H8     G  34           H8         G  34  -7.713   4.377   8.615
  379    H1     G  34           H1         G  34  -5.297   4.260   2.712
  380   1H2     G  34          1H2         G  34  -6.960   4.337   1.203
  381   2H2     G  34          2H2         G  34  -8.643   4.420   1.670
  382   1H2*    G  34          1H2*        G  34  -9.803   2.792   8.006
  383   2H2*    G  34          2H2*        G  34 -10.960   2.653   6.658
  384   1H5*    T  35          1H5*        T  35 -13.707   3.202   5.035
  385   2H5*    T  35          2H5*        T  35 -15.095   2.104   5.219
  386    H4*    T  35           H4*        T  35 -14.153   1.918   2.930
  387    H3*    T  35           H3*        T  35 -14.305  -0.325   4.761
  388   1H2*    T  35          1H2*        T  35 -12.273  -1.293   4.407
  389   2H2*    T  35          2H2*        T  35 -12.663  -1.419   2.681
  390    H1*    T  35           H1*        T  35 -11.394   0.414   2.105
  391    H3     T  35           H3         T  35  -7.058  -0.116   3.315
  392   1H5M    T  35          1H5M        T  35  -9.958   0.235   7.940
  393   2H5M    T  35          2H5M        T  35  -8.253   0.730   7.888
  394   3H5M    T  35          3H5M        T  35  -8.680  -0.990   7.840
  395    H6     T  35           H6         T  35 -11.127   0.284   5.872
  396   1H5*    G  36          1H5*        G  36 -13.954  -0.989   0.388
  397   2H5*    G  36          2H5*        G  36 -14.884  -2.301  -0.389
  398    H4*    G  36           H4*        G  36 -12.501  -2.109  -1.199
  399    H3*    G  36           H3*        G  36 -13.670  -4.572  -0.182
  400    H1*    G  36           H1*        G  36  -9.932  -3.313   0.145
  401    H8     G  36           H8         G  36 -11.982  -3.701   3.477
  402    H1     G  36           H1         G  36  -5.647  -3.558   4.221
  403   1H2     G  36          1H2         G  36  -4.648  -3.426   2.211
  404   2H2     G  36          2H2         G  36  -5.557  -3.359   0.716
  405   1H2*    G  36          1H2*        G  36 -12.016  -5.147   1.303
  406   2H2*    G  36          2H2*        G  36 -10.971  -5.348  -0.124
  407   1H5*    C  37          1H5*        C  37 -10.337  -4.159  -3.231
  408   2H5*    C  37          2H5*        C  37 -10.440  -5.230  -4.645
  409    H4*    C  37           H4*        C  37  -8.073  -4.576  -4.094
  410    H3*    C  37           H3*        C  37  -8.975  -7.332  -4.422
  411    H1*    C  37           H1*        C  37  -6.228  -5.993  -1.833
  412   1H4     C  37          1H4         C  37  -7.603  -8.259   3.992
  413   2H4     C  37          2H4         C  37  -9.289  -8.482   3.580
  414    H5     C  37           H5         C  37 -10.174  -8.065   1.376
  415    H6     C  37           H6         C  37  -9.646  -7.306  -0.897
  416   1H2*    C  37          1H2*        C  37  -7.966  -8.291  -2.609
  417   2H2*    C  37          2H2*        C  37  -6.410  -7.744  -3.284
  418   1H5*    A  38          1H5*        A  38  -4.530  -6.406  -5.035
  419   2H5*    A  38          2H5*        A  38  -3.891  -7.128  -6.530
  420    H4*    A  38           H4*        A  38  -2.212  -7.248  -4.704
  421    H3*    A  38           H3*        A  38  -3.157  -9.603  -6.125
  422    H1*    A  38           H1*        A  38  -2.187  -9.364  -2.260
  423    H8     A  38           H8         A  38  -5.874 -10.173  -3.348
  424   1H6     A  38          1H6         A  38  -6.695 -12.020   2.460
  425   2H6     A  38          2H6         A  38  -7.467 -11.757   0.912
  426    H2     A  38           H2         A  38  -2.395 -10.789   1.992
  427   1H2*    A  38          1H2*        A  38  -3.586 -10.979  -4.348
  428   2H2*    A  38          2H2*        A  38  -1.852 -10.861  -3.951
  429   1H5*    G  39          1H5*        G  39   0.598  -9.720  -3.706
  430   2H5*    G  39          2H5*        G  39   2.020 -10.259  -4.643
  431    H4*    G  39           H4*        G  39   2.251 -10.978  -2.316
  432    H3*    G  39           H3*        G  39   2.022 -12.964  -4.428
  433    H1*    G  39           H1*        G  39   0.664 -13.200  -0.702
  434    H8     G  39           H8         G  39  -1.923 -13.266  -3.661
  435    H1     G  39           H1         G  39  -4.185 -15.336   1.932
  436   1H2     G  39          1H2         G  39  -2.549 -15.288   3.477
  437   2H2     G  39          2H2         G  39  -0.930 -14.737   3.107
  438   1H2*    G  39          1H2*        G  39   0.444 -14.321  -3.473
  439   2H2*    G  39          2H2*        G  39   1.638 -14.648  -2.193
  440   1H5*    T  40          1H5*        T  40   3.674 -14.272  -0.453
  441   2H5*    T  40          2H5*        T  40   5.173 -15.224  -0.571
  442    H4*    T  40           H4*        T  40   3.719 -16.205   1.146
  443    H3*    T  40           H3*        T  40   4.237 -17.706  -1.369
  444   1H2*    T  40          1H2*        T  40   2.345 -19.041  -1.233
  445   2H2*    T  40          2H2*        T  40   2.693 -19.380   0.486
  446    H1*    T  40           H1*        T  40   1.260 -17.746   1.243
  447    H3     T  40           H3         T  40  -2.904 -18.789  -0.138
  448   1H5M    T  40          1H5M        T  40  -0.312 -17.539  -4.662
  449   2H5M    T  40          2H5M        T  40  -1.251 -16.105  -4.200
  450   3H5M    T  40          3H5M        T  40  -2.086 -17.622  -4.580
  451    H6     T  40           H6         T  40   0.957 -17.088  -2.467
  452   1H5*    G  41          1H5*        G  41   4.244 -19.551   2.736
  453   2H5*    G  41          2H5*        G  41   5.454 -20.836   3.016
  454    H4*    G  41           H4*        G  41   3.280 -21.296   4.145
  455    H3*    G  41           H3*        G  41   4.311 -23.105   2.019
  456    H1*    G  41           H1*        G  41   0.546 -22.300   3.075
  457    H8     G  41           H8         G  41   2.059 -21.613  -0.459
  458    H1     G  41           H1         G  41  -4.154 -23.046  -0.454
  459   1H2     G  41          1H2         G  41  -4.808 -23.573   1.634
  460   2H2     G  41          2H2         G  41  -3.704 -23.553   2.990
  461   1H2*    G  41          1H2*        G  41   2.298 -23.945   1.360
  462   2H2*    G  41          2H2*        G  41   1.817 -24.189   3.060
  463   1H5*    C  42          1H5*        C  42   2.158 -24.411   5.656
  464   2H5*    C  42          2H5*        C  42   2.881 -25.766   6.553
  465    H4*    C  42           H4*        C  42   0.395 -25.832   6.656
  466    H3*    C  42           H3*        C  42   1.967 -28.042   5.443
  467    H1*    C  42           H1*        C  42  -1.693 -26.801   4.376
  468   1H4     C  42          1H4         C  42  -1.204 -27.443  -1.977
  469   2H4     C  42          2H4         C  42   0.525 -27.181  -1.932
  470    H5     C  42           H5         C  42   1.760 -26.850   0.114
  471    H6     C  42           H6         C  42   1.607 -26.713   2.562
  472   1H2*    C  42          1H2*        C  42   0.352 -28.869   4.071
  473   2H2*    C  42          2H2*        C  42  -0.876 -28.692   5.354
  474   1HN1  NCO  43          1HN1      NCO  43   2.804  10.734  -1.831
  475   2HN1  NCO  43          2HN1      NCO  43   2.556   9.992  -0.411
  476   3HN1  NCO  43          3HN1      NCO  43   1.592  11.209  -0.875
  477   1HN2  NCO  43          1HN2      NCO  43   4.363  14.289   1.395
  478   2HN2  NCO  43          2HN2      NCO  43   5.483  13.160   1.683
  479   3HN2  NCO  43          3HN2      NCO  43   5.543  14.025   0.315
  480   1HN3  NCO  43          1HN3      NCO  43   4.884  11.348  -2.096
  481   2HN3  NCO  43          2HN3      NCO  43   5.061  12.958  -2.034
  482   3HN3  NCO  43          3HN3      NCO  43   6.010  11.999  -1.136
  483   1HN4  NCO  43          1HN4      NCO  43   2.581  13.451  -1.859
  484   2HN4  NCO  43          2HN4      NCO  43   1.894  13.906  -0.468
  485   3HN4  NCO  43          3HN4      NCO  43   3.312  14.549  -0.916
  486   1HN5  NCO  43          1HN5      NCO  43   1.907  13.126   1.568
  487   2HN5  NCO  43          2HN5      NCO  43   1.862  11.506   1.617
  488   3HN5  NCO  43          3HN5      NCO  43   2.977  12.317   2.468
  489   1HN6  NCO  43          1HN6      NCO  43   5.021  10.010   0.267
  490   2HN6  NCO  43          2HN6      NCO  43   5.559  11.012   1.413
  491   3HN6  NCO  43          3HN6      NCO  43   4.154  10.233   1.617
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1 -11.946 -30.893  -3.672
    2   2H5*    G   1          2H5*        G   1 -13.127 -29.599  -4.015
    3    H4*    G   1           H4*        G   1 -13.168 -30.076  -1.625
    4    H3*    G   1           H3*        G   1 -12.132 -27.506  -2.552
    5    H1*    G   1           H1*        G   1 -10.596 -29.590   0.554
    6    H8     G   1           H8         G   1  -8.902 -29.599  -2.890
    7    H1     G   1           H1         G   1  -4.879 -28.247   1.876
    8   1H2     G   1          1H2         G   1  -6.031 -27.986   3.791
    9   2H2     G   1          2H2         G   1  -7.771 -28.150   3.866
   10   1H2*    G   1          1H2*        G   1 -10.423 -27.185  -1.096
   11   2H2*    G   1          2H2*        G   1 -11.523 -27.525   0.265
   12   1H5*    C   2          1H5*        C   2 -13.744 -27.445   1.668
   13   2H5*    C   2          2H5*        C   2 -14.872 -26.097   1.947
   14    H4*    C   2           H4*        C   2 -13.217 -26.412   3.828
   15    H3*    C   2           H3*        C   2 -13.608 -23.874   2.373
   16    H1*    C   2           H1*        C   2 -10.137 -25.275   3.836
   17   1H4     C   2          1H4         C   2  -6.100 -23.728  -0.876
   18   2H4     C   2          2H4         C   2  -7.342 -23.932  -2.092
   19    H5     C   2           H5         C   2  -9.638 -24.478  -1.560
   20    H6     C   2           H6         C   2 -11.229 -24.951   0.252
   21   1H2*    C   2          1H2*        C   2 -11.493 -23.059   2.480
   22   2H2*    C   2          2H2*        C   2 -11.417 -23.439   4.220
   23   1H5*    A   3          1H5*        A   3 -12.296 -23.747   6.779
   24   2H5*    A   3          2H5*        A   3 -13.088 -22.438   7.688
   25    H4*    A   3           H4*        A   3 -10.627 -22.621   8.182
   26    H3*    A   3           H3*        A   3 -11.907 -20.141   7.175
   27    H1*    A   3           H1*        A   3  -8.182 -21.447   6.472
   28    H8     A   3           H8         A   3 -10.990 -20.940   3.816
   29   1H6     A   3          1H6         A   3  -6.446 -19.592  -0.122
   30   2H6     A   3          2H6         A   3  -8.169 -19.847   0.045
   31    H2     A   3           H2         A   3  -4.630 -20.198   3.943
   32   1H2*    A   3          1H2*        A   3 -10.100 -19.253   6.122
   33   2H2*    A   3          2H2*        A   3  -9.065 -19.634   7.524
   34   1H5*    C   4          1H5*        C   4  -8.347 -19.746  10.113
   35   2H5*    C   4          2H5*        C   4  -8.681 -18.475  11.315
   36    H4*    C   4           H4*        C   4  -6.327 -18.377  10.455
   37    H3*    C   4           H3*        C   4  -8.221 -16.102  10.210
   38    H1*    C   4           H1*        C   4  -5.274 -17.113   7.698
   39   1H4     C   4          1H4         C   4  -7.991 -15.931   2.036
   40   2H4     C   4          2H4         C   4  -9.589 -16.280   2.658
   41    H5     C   4           H5         C   4 -10.019 -16.807   4.979
   42    H6     C   4           H6         C   4  -9.005 -17.126   7.194
   43   1H2*    C   4          1H2*        C   4  -7.294 -15.117   8.387
   44   2H2*    C   4          2H2*        C   4  -5.659 -15.334   9.049
   45   1H5*    T   5          1H5*        T   5  -3.779 -15.337  10.870
   46   2H5*    T   5          2H5*        T   5  -3.497 -14.079  12.093
   47    H4*    T   5           H4*        T   5  -1.900 -13.904  10.172
   48    H3*    T   5           H3*        T   5  -3.564 -11.703  11.102
   49   1H2*    T   5          1H2*        T   5  -4.380 -10.959   9.106
   50   2H2*    T   5          2H2*        T   5  -2.685 -10.616   8.663
   51    H1*    T   5           H1*        T   5  -2.485 -12.462   7.359
   52    H3     T   5           H3         T   5  -5.365 -11.962   3.917
   53   1H5M    T   5          1H5M        T   5  -8.393 -12.713   8.391
   54   2H5M    T   5          2H5M        T   5  -8.838 -13.654   6.949
   55   3H5M    T   5          3H5M        T   5  -9.043 -11.893   6.957
   56    H6     T   5           H6         T   5  -6.026 -12.819   8.610
   57   1H5*    G   6          1H5*        G   6   0.366 -10.603   9.124
   58   2H5*    G   6          2H5*        G   6   1.341  -9.391  10.001
   59    H4*    G   6           H4*        G   6   1.423  -9.067   7.533
   60    H3*    G   6           H3*        G   6   0.502  -6.981   9.342
   61    H1*    G   6           H1*        G   6  -0.810  -7.754   5.655
   62    H8     G   6           H8         G   6  -3.222  -8.152   8.719
   63    H1     G   6           H1         G   6  -6.162  -7.651   3.087
   64   1H2     G   6          1H2         G   6  -4.657  -7.334   1.455
   65   2H2     G   6          2H2         G   6  -2.938  -7.259   1.769
   66   1H2*    G   6          1H2*        G   6  -1.391  -6.335   8.223
   67   2H2*    G   6          2H2*        G   6  -0.328  -5.879   6.869
   68   1H5*    C   7          1H5*        C   7   1.769  -6.259   5.201
   69   2H5*    C   7          2H5*        C   7   3.195  -5.204   5.064
   70    H4*    C   7           H4*        C   7   1.901  -4.994   3.011
   71    H3*    C   7           H3*        C   7   2.260  -2.692   4.754
   72    H1*    C   7           H1*        C   7  -0.958  -3.578   2.558
   73   1H4     C   7          1H4         C   7  -6.245  -3.453   6.159
   74   2H4     C   7          2H4         C   7  -5.323  -3.579   7.641
   75    H5     C   7           H5         C   7  -2.915  -3.594   7.699
   76    H6     C   7           H6         C   7  -0.869  -3.565   6.350
   77   1H2*    C   7          1H2*        C   7   0.120  -1.883   4.777
   78   2H2*    C   7          2H2*        C   7   0.266  -1.690   3.010
   79   1H5*    A   8          1H5*        A   8   1.829  -2.018   0.119
   80   2H5*    A   8          2H5*        A   8   3.210  -1.032  -0.421
   81    H4*    A   8           H4*        A   8   1.286  -0.443  -1.803
   82    H3*    A   8           H3*        A   8   2.448   1.514   0.027
   83    H1*    A   8           H1*        A   8  -1.452   1.140  -0.891
   84    H8     A   8           H8         A   8   0.188   1.031   2.659
   85   1H6     A   8          1H6         A   8  -5.428   0.623   4.984
   86   2H6     A   8          2H6         A   8  -3.715   0.725   5.319
   87    H2     A   8           H2         A   8  -5.833   0.765   0.480
   88   1H2*    A   8          1H2*        A   8   0.581   2.515   0.803
   89   2H2*    A   8          2H2*        A   8   0.097   2.845  -0.878
   90   1H5*    T   9          1H5*        T   9   3.694   2.297  -5.369
   91   2H5*    T   9          2H5*        T   9   3.169   1.271  -4.023
   92    H4*    T   9           H4*        T   9   5.647   1.072  -4.776
   93    H3*    T   9           H3*        T   9   4.634   1.149  -2.027
   94   1H2*    T   9          1H2*        T   9   6.168   2.479  -1.088
   95   2H2*    T   9          2H2*        T   9   7.428   1.351  -1.647
   96    H1*    T   9           H1*        T   9   8.034   2.672  -3.375
   97    H3     T   9           H3         T   9   9.352   6.352  -0.981
   98   1H5M    T   9          1H5M        T   9   4.040   6.840  -1.522
   99   2H5M    T   9          2H5M        T   9   4.796   7.857  -2.763
  100   3H5M    T   9          3H5M        T   9   5.076   8.204  -1.046
  101    H6     T   9           H6         T   9   5.142   4.916  -2.808
  102   1H5*    C  10          1H5*        C  10   8.704  -0.671  -2.680
  103   2H5*    C  10          2H5*        C  10   8.805  -2.333  -2.050
  104    H4*    C  10           H4*        C  10  10.909  -1.022  -1.609
  105    H3*    C  10           H3*        C  10   9.381  -2.425   0.426
  106    H1*    C  10           H1*        C  10  11.233   1.100   0.893
  107   1H4     C  10          1H4         C  10   7.025   5.155   3.550
  108   2H4     C  10          2H4         C  10   5.664   4.245   2.933
  109    H5     C  10           H5         C  10   5.906   2.235   1.615
  110    H6     C  10           H6         C  10   7.494   0.606   0.710
  111   1H2*    C  10          1H2*        C  10   9.233  -0.812   2.019
  112   2H2*    C  10          2H2*        C  10  11.015  -0.840   2.099
  113   1H5*    C  11          1H5*        C  11  14.119  -2.762   2.326
  114   2H5*    C  11          2H5*        C  11  13.699  -3.348   3.943
  115    H4*    C  11           H4*        C  11  14.415  -0.691   3.194
  116    H3*    C  11           H3*        C  11  13.393  -1.926   5.746
  117    H1*    C  11           H1*        C  11  12.438   1.553   4.078
  118   1H4     C  11          1H4         C  11   6.567   1.778   6.652
  119   2H4     C  11          2H4         C  11   6.280   0.100   6.251
  120    H5     C  11           H5         C  11   7.946  -1.311   5.202
  121    H6     C  11           H6         C  11  10.272  -1.441   4.418
  122   1H2*    C  11          1H2*        C  11  12.453  -0.005   6.531
  123   2H2*    C  11          2H2*        C  11  13.758   0.996   5.839
  124   1H5*    T  12          1H5*        T  12  16.505   1.073   9.146
  125   2H5*    T  12          2H5*        T  12  14.842   0.535   9.491
  126    H4*    T  12           H4*        T  12  15.113   2.969   9.981
  127    H3*    T  12           H3*        T  12  13.161   1.914   8.085
  128   1H2*    T  12          1H2*        T  12  13.151   3.503   6.476
  129   2H2*    T  12          2H2*        T  12  13.093   4.789   7.709
  130    H1*    T  12           H1*        T  12  15.282   5.272   7.298
  131    H3     T  12           H3         T  12  15.296   4.888   2.643
  132   1H5M    T  12          1H5M        T  12  17.954   1.071   2.977
  133   2H5M    T  12          2H5M        T  12  18.545   1.219   4.648
  134   3H5M    T  12          3H5M        T  12  17.094   0.246   4.298
  135    H6     T  12           H6         T  12  16.641   2.098   6.338
  136   1H5*    T  13          1H5*        T  13  10.760   4.753  10.520
  137   2H5*    T  13          2H5*        T  13  11.070   4.610  12.268
  138    H4*    T  13           H4*        T  13   8.711   5.381  11.716
  139    H3*    T  13           H3*        T  13   9.365   3.095  13.464
  140   1H2*    T  13          1H2*        T  13   7.706   1.687  12.917
  141   2H2*    T  13          2H2*        T  13   6.515   2.990  13.168
  142    H1*    T  13           H1*        T  13   6.266   3.288  10.919
  143    H3     T  13           H3         T  13   5.340  -0.887   9.331
  144   1H5M    T  13          1H5M        T  13   9.847  -1.930   8.735
  145   2H5M    T  13          2H5M        T  13  10.568  -0.305   8.673
  146   3H5M    T  13          3H5M        T  13  10.497  -1.191  10.216
  147    H6     T  13           H6         T  13   9.444   1.399  10.427
  148   1H5*    G  14          1H5*        G  14   8.802   8.801  14.934
  149   2H5*    G  14          2H5*        G  14   7.298   9.139  14.045
  150    H4*    G  14           H4*        G  14  10.145   8.889  13.116
  151    H3*    G  14           H3*        G  14   8.051  10.761  12.621
  152    H1*    G  14           H1*        G  14   9.500   8.259   9.947
  153    H8     G  14           H8         G  14   5.716   7.642  10.861
  154    H1     G  14           H1         G  14   8.289   3.514   6.746
  155   1H2     G  14          1H2         G  14  10.460   4.046   6.425
  156   2H2     G  14          2H2         G  14  11.206   5.412   7.222
  157   1H2*    G  14          1H2*        G  14   6.999   9.668  10.862
  158   2H2*    G  14          2H2*        G  14   8.384  10.277   9.917
  159   1H5*    G  15          1H5*        G  15  12.335  10.712  10.842
  160   2H5*    G  15          2H5*        G  15  12.988  12.334  10.486
  161    H4*    G  15           H4*        G  15  14.109  10.558   9.150
  162    H3*    G  15           H3*        G  15  12.740  12.802   7.902
  163    H1*    G  15           H1*        G  15  12.970   9.051   6.559
  164    H8     G  15           H8         G  15   9.499  10.574   7.558
  165    H1     G  15           H1         G  15   9.162   5.447   3.778
  166   1H2     G  15          1H2         G  15  11.227   4.718   3.285
  167   2H2     G  15          2H2         G  15  12.666   5.506   3.895
  168   1H2*    G  15          1H2*        G  15  11.534  11.668   6.321
  169   2H2*    G  15          2H2*        G  15  13.092  11.145   5.633
  170   1H5*    A  16          1H5*        A  16  16.253  10.586   6.252
  171   2H5*    A  16          2H5*        A  16  17.538  11.427   5.359
  172    H4*    A  16           H4*        A  16  17.090   9.084   4.524
  173    H3*    A  16           H3*        A  16  17.233  11.451   2.833
  174    H1*    A  16           H1*        A  16  14.921   8.259   2.386
  175    H8     A  16           H8         A  16  13.155  11.660   3.162
  176   1H6     A  16          1H6         A  16   8.207   9.214   0.475
  177   2H6     A  16          2H6         A  16   8.854  10.606   1.314
  178    H2     A  16           H2         A  16  11.561   6.194   0.247
  179   1H2*    A  16          1H2*        A  16  15.296  11.149   1.653
  180   2H2*    A  16          2H2*        A  16  16.057   9.687   0.985
  181   1H5*    C  17          1H5*        C  17  17.158   7.333   1.667
  182   2H5*    C  17          2H5*        C  17  18.633   6.744   0.875
  183    H4*    C  17           H4*        C  17  16.788   5.268   0.269
  184    H3*    C  17           H3*        C  17  18.183   6.816  -1.780
  185    H1*    C  17           H1*        C  17  14.366   5.698  -1.679
  186   1H4     C  17          1H4         C  17  10.542  10.556  -3.361
  187   2H4     C  17          2H4         C  17  11.688  11.742  -2.779
  188    H5     C  17           H5         C  17  13.833  11.161  -1.850
  189    H6     C  17           H6         C  17  15.349   9.322  -1.281
  190   1H2*    C  17          1H2*        C  17  16.362   7.505  -2.996
  191   2H2*    C  17          2H2*        C  17  16.008   5.777  -3.275
  192   1H5*    G  18          1H5*        G  18  16.167   3.024  -2.890
  193   2H5*    G  18          2H5*        G  18  17.167   1.818  -3.751
  194    H4*    G  18           H4*        G  18  14.822   1.827  -4.571
  195    H3*    G  18           H3*        G  18  17.085   2.319  -6.329
  196    H1*    G  18           H1*        G  18  13.453   3.868  -6.506
  197    H8     G  18           H8         G  18  16.318   6.424  -5.652
  198    H1     G  18           H1         G  18  10.983   8.962  -8.054
  199   1H2     G  18          1H2         G  18   9.516   7.320  -8.530
  200   2H2     G  18          2H2         G  18   9.881   5.634  -8.244
  201   1H2*    G  18          1H2*        G  18  16.333   4.279  -7.284
  202   2H2*    G  18          2H2*        G  18  15.068   3.273  -8.039
  203   1H5*    C  19          1H5*        C  19  16.412   0.641 -10.639
  204   2H5*    C  19          2H5*        C  19  16.452   1.761  -9.282
  205    H4*    C  19           H4*        C  19  13.974   0.424  -8.992
  206    H3*    C  19           H3*        C  19  14.526   0.140 -11.745
  207    H1*    C  19           H1*        C  19  12.453   3.212 -10.314
  208   1H4     C  19          1H4         C  19  14.960   8.801 -12.160
  209   2H4     C  19          2H4         C  19  16.591   8.231 -11.889
  210    H5     C  19           H5         C  19  17.100   5.983 -11.155
  211    H6     C  19           H6         C  19  16.156   3.793 -10.580
  212   1H2*    C  19          1H2*        C  19  14.443   2.363 -12.399
  213   2H2*    C  19          2H2*        C  19  12.683   2.087 -12.318
  214   1H5*    T  20          1H5*        T  20  10.115  -0.475 -14.465
  215   2H5*    T  20          2H5*        T  20  11.605   0.339 -14.988
  216    H4*    T  20           H4*        T  20   9.706   1.499 -15.951
  217    H3*    T  20           H3*        T  20  11.605   2.888 -14.479
  218   1H2*    T  20          1H2*        T  20  10.517   3.285 -12.481
  219   2H2*    T  20          2H2*        T  20   9.673   4.554 -13.409
  220    H1*    T  20           H1*        T  20   7.718   3.378 -13.412
  221    H3     T  20           H3         T  20   7.955   3.027  -8.711
  222   1H5M    T  20          1H5M        T  20   7.907  -1.609  -9.179
  223   2H5M    T  20          2H5M        T  20   7.202  -1.737 -10.808
  224   3H5M    T  20          3H5M        T  20   8.970  -1.805 -10.593
  225    H6     T  20           H6         T  20   8.417   0.075 -12.499
  226   1H5*    T  21          1H5*        T  21  10.177   6.289 -15.233
  227   2H5*    T  21          2H5*        T  21   9.755   6.853 -16.863
  228    H4*    T  21           H4*        T  21  10.496   8.661 -15.162
  229    H3*    T  21           H3*        T  21  11.221   8.470 -17.970
  230   1H2*    T  21          1H2*        T  21  13.461   8.707 -17.885
  231   2H2*    T  21          2H2*        T  21  13.214  10.273 -17.069
  232    H1*    T  21           H1*        T  21  13.865   9.409 -15.058
  233    H3     T  21           H3         T  21  17.839   7.683 -16.805
  234   1H5M    T  21          1H5M        T  21  16.257   3.352 -16.105
  235   2H5M    T  21          2H5M        T  21  15.244   3.705 -14.685
  236   3H5M    T  21          3H5M        T  21  14.501   3.560 -16.298
  237    H6     T  21           H6         T  21  13.562   5.887 -15.478
  238   1H5*    G  22          1H5*        G  22   7.099  12.097 -17.576
  239   2H5*    G  22          2H5*        G  22   7.761  13.580 -16.860
  240    H4*    G  22           H4*        G  22   5.688  11.961 -15.844
  241    H3*    G  22           H3*        G  22   7.167  14.268 -14.825
  242    H1*    G  22           H1*        G  22   7.248  10.848 -12.671
  243    H8     G  22           H8         G  22   9.775  13.421 -14.165
  244    H1     G  22           H1         G  22  12.480   8.121 -11.901
  245   1H2     G  22          1H2         G  22  10.885   6.628 -11.340
  246   2H2     G  22          2H2         G  22   9.181   6.976 -11.523
  247   1H2*    G  22          1H2*        G  22   7.784  13.626 -12.746
  248   2H2*    G  22          2H2*        G  22   6.203  12.864 -12.469
  249   1H5*    C  23          1H5*        C  23   5.058  10.204 -14.041
  250   2H5*    C  23          2H5*        C  23   3.320  10.255 -13.689
  251    H4*    C  23           H4*        C  23   4.312   8.505 -12.333
  252    H3*    C  23           H3*        C  23   3.106  10.824 -11.004
  253    H1*    C  23           H1*        C  23   6.077   8.496  -9.900
  254   1H4     C  23          1H4         C  23  11.448  11.324  -7.969
  255   2H4     C  23          2H4         C  23  10.902  12.910  -8.467
  256    H5     C  23           H5         C  23   8.737  13.304  -9.479
  257    H6     C  23           H6         C  23   6.658  12.258 -10.243
  258   1H2*    C  23          1H2*        C  23   4.765  11.179  -9.448
  259   2H2*    C  23          2H2*        C  23   4.358   9.569  -8.798
  260   1H5*    G  24          1H5*        G  24   2.751   6.345  -9.251
  261   2H5*    G  24          2H5*        G  24   1.108   6.166  -8.572
  262    H4*    G  24           H4*        G  24   2.735   4.782  -7.332
  263    H3*    G  24           H3*        G  24   1.331   6.983  -6.001
  264    H1*    G  24           H1*        G  24   5.006   5.563  -5.293
  265    H8     G  24           H8         G  24   4.141   9.302  -6.029
  266    H1     G  24           H1         G  24  10.135   8.439  -4.065
  267   1H2     G  24          1H2         G  24  10.591   6.267  -3.869
  268   2H2     G  24          2H2         G  24   9.406   5.023  -4.207
  269   1H2*    G  24          1H2*        G  24   2.986   7.672  -4.622
  270   2H2*    G  24          2H2*        G  24   3.135   6.006  -4.012
  271   1H5*    C  25          1H5*        C  25  -2.180   7.358  -5.503
  272   2H5*    C  25          2H5*        C  25  -1.665   7.048  -3.828
  273    H4*    C  25           H4*        C  25  -3.731   5.397  -5.377
  274    H3*    C  25           H3*        C  25  -4.082   7.859  -3.860
  275    H1*    C  25           H1*        C  25  -4.946   4.153  -2.624
  276   1H4     C  25          1H4         C  25  -2.939   4.193   3.517
  277   2H4     C  25          2H4         C  25  -1.289   4.341   2.954
  278    H5     C  25           H5         C  25  -0.713   4.705   0.646
  279    H6     C  25           H6         C  25  -1.568   4.895  -1.651
  280   1H2*    C  25          1H2*        C  25  -4.495   6.988  -1.805
  281   2H2*    C  25          2H2*        C  25  -5.947   6.233  -2.511
  282   1H5*    C  26          1H5*        C  26  -8.528   6.417  -3.921
  283   2H5*    C  26          2H5*        C  26  -9.327   7.747  -4.793
  284    H4*    C  26           H4*        C  26 -10.551   7.207  -2.701
  285    H3*    C  26           H3*        C  26  -9.493   9.872  -3.263
  286    H1*    C  26           H1*        C  26  -9.751   8.057   0.284
  287   1H4     C  26          1H4         C  26  -4.217   8.714   3.413
  288   2H4     C  26          2H4         C  26  -3.322   8.963   1.932
  289    H5     C  26           H5         C  26  -4.368   9.044  -0.243
  290    H6     C  26           H6         C  26  -6.487   8.838  -1.472
  291   1H2*    C  26          1H2*        C  26  -8.574  10.351  -1.229
  292   2H2*    C  26          2H2*        C  26 -10.199  10.146  -0.527
  293   1H5*    A  27          1H5*        A  27 -13.103   9.480  -0.343
  294   2H5*    A  27          2H5*        A  27 -14.364  10.634  -0.834
  295    H4*    A  27           H4*        A  27 -14.329  10.438   1.620
  296    H3*    A  27           H3*        A  27 -13.841  12.991   0.285
  297    H1*    A  27           H1*        A  27 -12.223  11.657   3.679
  298    H8     A  27           H8         A  27  -9.953  12.383   0.550
  299   1H6     A  27          1H6         A  27  -5.317  12.784   4.574
  300   2H6     A  27          2H6         A  27  -5.770  12.889   2.888
  301    H2     A  27           H2         A  27  -9.069  11.869   6.877
  302   1H2*    A  27          1H2*        A  27 -12.041  13.703   1.504
  303   2H2*    A  27          2H2*        A  27 -13.091  13.642   2.944
  304   1H5*    C  28          1H5*        C  28 -15.547  12.825   4.416
  305   2H5*    C  28          2H5*        C  28 -16.454  14.163   5.148
  306    H4*    C  28           H4*        C  28 -14.390  13.197   6.432
  307    H3*    C  28           H3*        C  28 -15.179  16.045   6.155
  308    H1*    C  28           H1*        C  28 -11.698  14.282   6.629
  309   1H4     C  28          1H4         C  28  -7.110  17.388   3.494
  310   2H4     C  28          2H4         C  28  -8.153  17.723   2.131
  311    H5     C  28           H5         C  28 -10.493  17.047   2.057
  312    H6     C  28           H6         C  28 -12.325  15.986   3.317
  313   1H2*    C  28          1H2*        C  28 -13.065  16.878   5.963
  314   2H2*    C  28          2H2*        C  28 -12.690  16.151   7.549
  315   1H5*    T  29          1H5*        T  29 -14.071  16.741  11.777
  316   2H5*    T  29          2H5*        T  29 -13.560  18.073  10.714
  317    H4*    T  29           H4*        T  29 -11.763  17.642  12.303
  318    H3*    T  29           H3*        T  29 -11.294  17.530   9.532
  319   1H2*    T  29          1H2*        T  29 -10.986  15.244   9.252
  320   2H2*    T  29          2H2*        T  29  -9.360  15.614   9.900
  321    H1*    T  29           H1*        T  29  -9.845  14.752  11.972
  322    H3     T  29           H3         T  29 -10.160  10.426  10.446
  323   1H5M    T  29          1H5M        T  29 -14.799  10.704  10.060
  324   2H5M    T  29          2H5M        T  29 -15.125  11.968  11.268
  325   3H5M    T  29          3H5M        T  29 -14.974  12.397   9.545
  326    H6     T  29           H6         T  29 -13.318  14.032  10.971
  327   1H5*    T  30          1H5*        T  30  -7.409  17.923  11.306
  328   2H5*    T  30          2H5*        T  30  -6.918  19.220  12.416
  329    H4*    T  30           H4*        T  30  -5.077  18.413  10.844
  330    H3*    T  30           H3*        T  30  -5.649  21.127  11.495
  331   1H2*    T  30          1H2*        T  30  -6.227  21.970   9.446
  332   2H2*    T  30          2H2*        T  30  -4.501  21.756   9.039
  333    H1*    T  30           H1*        T  30  -4.925  19.915   7.728
  334    H3     T  30           H3         T  30  -7.637  22.575   5.005
  335   1H5M    T  30          1H5M        T  30 -11.337  20.043   6.263
  336   2H5M    T  30          2H5M        T  30 -10.540  18.589   6.904
  337   3H5M    T  30          3H5M        T  30 -11.019  19.903   8.007
  338    H6     T  30           H6         T  30  -8.353  19.218   8.395
  339   1H5*    G  31          1H5*        G  31  -0.301  18.922  13.037
  340   2H5*    G  31          2H5*        G  31  -0.104  19.015  11.269
  341    H4*    G  31           H4*        G  31  -2.356  17.694  12.888
  342    H3*    G  31           H3*        G  31   0.069  16.588  11.738
  343    H1*    G  31           H1*        G  31  -3.633  16.169  10.502
  344    H8     G  31           H8         G  31  -1.269  18.043   7.957
  345    H1     G  31           H1         G  31  -7.003  16.317   5.750
  346   1H2     G  31          1H2         G  31  -8.128  15.249   7.391
  347   2H2     G  31          2H2         G  31  -7.437  14.993   8.978
  348   1H2*    G  31          1H2*        G  31  -0.746  16.163   9.622
  349   2H2*    G  31          2H2*        G  31  -1.708  14.887  10.416
  350   1H5*    T  32          1H5*        T  32  -3.271  14.020  14.127
  351   2H5*    T  32          2H5*        T  32  -2.553  12.520  14.753
  352    H4*    T  32           H4*        T  32  -5.011  12.265  14.215
  353    H3*    T  32           H3*        T  32  -2.961  10.447  13.239
  354   1H2*    T  32          1H2*        T  32  -3.621  10.307  11.060
  355   2H2*    T  32          2H2*        T  32  -5.168   9.681  11.680
  356    H1*    T  32           H1*        T  32  -6.274  11.626  11.364
  357    H3     T  32           H3         T  32  -6.206  12.483   6.919
  358   1H5M    T  32          1H5M        T  32  -1.080  12.987   8.682
  359   2H5M    T  32          2H5M        T  32  -1.715  14.419   7.848
  360   3H5M    T  32          3H5M        T  32  -1.484  12.907   6.952
  361    H6     T  32           H6         T  32  -2.799  12.604  10.320
  362   1H5*    G  33          1H5*        G  33  -7.209   9.030  13.909
  363   2H5*    G  33          2H5*        G  33  -7.421   7.430  14.670
  364    H4*    G  33           H4*        G  33  -9.082   7.957  12.831
  365    H3*    G  33           H3*        G  33  -7.488   5.526  12.953
  366    H1*    G  33           H1*        G  33  -8.638   7.528   9.738
  367    H8     G  33           H8         G  33  -4.794   7.605  10.515
  368    H1     G  33           H1         G  33  -6.335   8.254   4.363
  369   1H2     G  33          1H2         G  33  -8.561   8.040   4.112
  370   2H2     G  33          2H2         G  33  -9.628   7.751   5.468
  371   1H2*    G  33          1H2*        G  33  -6.660   5.544  10.814
  372   2H2*    G  33          2H2*        G  33  -8.348   5.319  10.285
  373   1H5*    G  34          1H5*        G  34 -10.995   5.911  10.173
  374   2H5*    G  34          2H5*        G  34 -12.267   4.759  10.669
  375    H4*    G  34           H4*        G  34 -12.485   5.203   8.278
  376    H3*    G  34           H3*        G  34 -11.784   2.533   9.181
  377    H1*    G  34           H1*        G  34 -10.560   4.353   5.859
  378    H8     G  34           H8         G  34  -7.933   3.574   8.659
  379    H1     G  34           H1         G  34  -5.452   4.252   2.825
  380   1H2     G  34          1H2         G  34  -7.098   4.559   1.326
  381   2H2     G  34          2H2         G  34  -8.786   4.606   1.785
  382   1H2*    G  34          1H2*        G  34 -10.030   2.121   7.784
  383   2H2*    G  34          2H2*        G  34 -11.199   2.220   6.443
  384   1H5*    T  35          1H5*        T  35 -14.236   2.799   4.908
  385   2H5*    T  35          2H5*        T  35 -15.495   1.566   5.143
  386    H4*    T  35           H4*        T  35 -14.727   1.621   2.773
  387    H3*    T  35           H3*        T  35 -14.581  -0.761   4.455
  388   1H2*    T  35          1H2*        T  35 -12.539  -1.542   3.880
  389   2H2*    T  35          2H2*        T  35 -13.062  -1.590   2.185
  390    H1*    T  35           H1*        T  35 -11.983   0.340   1.630
  391    H3     T  35           H3         T  35  -7.532   0.034   2.359
  392   1H5M    T  35          1H5M        T  35  -9.948  -0.388   7.253
  393   2H5M    T  35          2H5M        T  35  -8.325   0.322   7.112
  394   3H5M    T  35          3H5M        T  35  -8.555  -1.419   6.873
  395    H6     T  35           H6         T  35 -11.322  -0.058   5.341
  396   1H5*    G  36          1H5*        G  36 -14.647  -1.421  -0.136
  397   2H5*    G  36          2H5*        G  36 -15.456  -2.926  -0.643
  398    H4*    G  36           H4*        G  36 -13.157  -2.409  -1.700
  399    H3*    G  36           H3*        G  36 -14.018  -4.980  -0.617
  400    H1*    G  36           H1*        G  36 -10.366  -3.375  -0.451
  401    H8     G  36           H8         G  36 -12.413  -3.962   2.837
  402    H1     G  36           H1         G  36  -6.109  -3.546   3.684
  403   1H2     G  36          1H2         G  36  -5.081  -3.297   1.703
  404   2H2     G  36          2H2         G  36  -5.964  -3.226   0.194
  405   1H2*    G  36          1H2*        G  36 -12.181  -5.480   0.648
  406   2H2*    G  36          2H2*        G  36 -11.242  -5.443  -0.862
  407   1H5*    C  37          1H5*        C  37 -10.734  -4.594  -3.765
  408   2H5*    C  37          2H5*        C  37 -10.898  -5.735  -5.118
  409    H4*    C  37           H4*        C  37  -8.499  -5.230  -4.586
  410    H3*    C  37           H3*        C  37  -9.596  -7.934  -4.713
  411    H1*    C  37           H1*        C  37  -6.763  -6.589  -2.222
  412   1H4     C  37          1H4         C  37  -8.276  -8.312   3.755
  413   2H4     C  37          2H4         C  37  -9.965  -8.510   3.343
  414    H5     C  37           H5         C  37 -10.817  -8.236   1.106
  415    H6     C  37           H6         C  37 -10.247  -7.674  -1.212
  416   1H2*    C  37          1H2*        C  37  -8.638  -8.828  -2.840
  417   2H2*    C  37          2H2*        C  37  -7.054  -8.423  -3.546
  418   1H5*    A  38          1H5*        A  38  -5.087  -7.396  -5.416
  419   2H5*    A  38          2H5*        A  38  -4.491  -8.358  -6.788
  420    H4*    A  38           H4*        A  38  -2.873  -8.384  -4.897
  421    H3*    A  38           H3*        A  38  -3.972 -10.809  -6.077
  422    H1*    A  38           H1*        A  38  -3.043 -10.182  -2.254
  423    H8     A  38           H8         A  38  -6.782 -10.854  -3.255
  424   1H6     A  38          1H6         A  38  -7.673 -12.078   2.706
  425   2H6     A  38          2H6         A  38  -8.438 -11.918   1.141
  426    H2     A  38           H2         A  38  -3.307 -11.163   2.115
  427   1H2*    A  38          1H2*        A  38  -4.553 -11.922  -4.160
  428   2H2*    A  38          2H2*        A  38  -2.824 -11.906  -3.736
  429   1H5*    G  39          1H5*        G  39  -0.356 -10.871  -3.495
  430   2H5*    G  39          2H5*        G  39   1.072 -11.620  -4.261
  431    H4*    G  39           H4*        G  39   1.114 -12.014  -1.840
  432    H3*    G  39           H3*        G  39   0.926 -14.252  -3.686
  433    H1*    G  39           H1*        G  39  -0.637 -13.925  -0.062
  434    H8     G  39           H8         G  39  -3.151 -14.191  -3.070
  435    H1     G  39           H1         G  39  -5.599 -15.671   2.627
  436   1H2     G  39          1H2         G  39  -3.991 -15.566   4.195
  437   2H2     G  39          2H2         G  39  -2.343 -15.118   3.814
  438   1H2*    G  39          1H2*        G  39  -0.815 -15.367  -2.694
  439   2H2*    G  39          2H2*        G  39   0.284 -15.629  -1.315
  440   1H5*    T  40          1H5*        T  40   2.133 -15.092   0.564
  441   2H5*    T  40          2H5*        T  40   3.683 -15.963   0.666
  442    H4*    T  40           H4*        T  40   2.197 -16.800   2.418
  443    H3*    T  40           H3*        T  40   3.002 -18.563   0.197
  444   1H2*    T  40          1H2*        T  40   1.066 -19.830   0.126
  445   2H2*    T  40          2H2*        T  40   1.255 -20.163   1.869
  446    H1*    T  40           H1*        T  40  -0.211 -18.509   2.507
  447    H3     T  40           H3         T  40  -4.310 -19.627   1.046
  448   1H5M    T  40          1H5M        T  40  -1.552 -18.848  -3.462
  449   2H5M    T  40          2H5M        T  40  -2.423 -17.329  -3.178
  450   3H5M    T  40          3H5M        T  40  -3.328 -18.832  -3.437
  451    H6     T  40           H6         T  40  -0.352 -18.137  -1.263
  452   1H5*    G  41          1H5*        G  41   2.642 -19.932   4.576
  453   2H5*    G  41          2H5*        G  41   3.854 -21.149   5.072
  454    H4*    G  41           H4*        G  41   1.632 -21.507   6.144
  455    H3*    G  41           H3*        G  41   2.788 -23.552   4.315
  456    H1*    G  41           H1*        G  41  -1.026 -22.685   5.098
  457    H8     G  41           H8         G  41   0.628 -22.541   1.555
  458    H1     G  41           H1         G  41  -5.636 -23.723   1.544
  459   1H2     G  41          1H2         G  41  -6.374 -23.918   3.662
  460   2H2     G  41          2H2         G  41  -5.310 -23.742   5.040
  461   1H2*    G  41          1H2*        G  41   0.818 -24.500   3.672
  462   2H2*    G  41          2H2*        G  41   0.260 -24.542   5.365
  463   1H5*    C  42          1H5*        C  42   0.455 -24.418   7.988
  464   2H5*    C  42          2H5*        C  42   1.128 -25.666   9.064
  465    H4*    C  42           H4*        C  42  -1.359 -25.722   9.058
  466    H3*    C  42           H3*        C  42   0.247 -28.055   8.147
  467    H1*    C  42           H1*        C  42  -3.365 -26.913   6.849
  468   1H4     C  42          1H4         C  42  -2.756 -28.267   0.620
  469   2H4     C  42          2H4         C  42  -1.023 -28.043   0.677
  470    H5     C  42           H5         C  42   0.177 -27.515   2.704
  471    H6     C  42           H6         C  42  -0.025 -27.098   5.116
  472   1H2*    C  42          1H2*        C  42  -1.338 -29.025   6.833
  473   2H2*    C  42          2H2*        C  42  -2.600 -28.694   8.051
  474   1HN1  NCO  43          1HN1      NCO  43   2.348  13.034   2.326
  475   2HN1  NCO  43          2HN1      NCO  43   3.352  14.251   1.958
  476   3HN1  NCO  43          3HN1      NCO  43   3.078  13.067   0.885
  477   1HN2  NCO  43          1HN2      NCO  43   6.992  11.721   3.776
  478   2HN2  NCO  43          2HN2      NCO  43   6.034  10.423   3.926
  479   3HN2  NCO  43          3HN2      NCO  43   6.819  10.699   2.536
  480   1HN3  NCO  43          1HN3      NCO  43   5.537  13.680   0.650
  481   2HN3  NCO  43          2HN3      NCO  43   6.842  13.075   1.396
  482   3HN3  NCO  43          3HN3      NCO  43   6.008  12.158   0.358
  483   1HN4  NCO  43          1HN4      NCO  43   5.678  14.551   3.108
  484   2HN4  NCO  43          2HN4      NCO  43   4.541  14.187   4.203
  485   3HN4  NCO  43          3HN4      NCO  43   6.033  13.585   4.360
  486   1HN5  NCO  43          1HN5      NCO  43   2.784  12.079   4.229
  487   2HN5  NCO  43          2HN5      NCO  43   3.435  10.601   4.089
  488   3HN5  NCO  43          3HN5      NCO  43   4.140  11.718   5.028
  489   1HN6  NCO  43          1HN6      NCO  43   4.549   9.763   1.880
  490   2HN6  NCO  43          2HN6      NCO  43   3.154  10.523   1.563
  491   3HN6  NCO  43          3HN6      NCO  43   4.411  10.694   0.562
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1 -20.350 -29.352  -3.214
    2   2H5*    G   1          2H5*        G   1 -21.239 -27.803  -3.148
    3    H4*    G   1           H4*        G   1 -20.579 -28.423  -0.882
    4    H3*    G   1           H3*        G   1 -19.310 -26.103  -2.152
    5    H1*    G   1           H1*        G   1 -17.443 -28.692   0.320
    6    H8     G   1           H8         G   1 -16.919 -28.757  -3.487
    7    H1     G   1           H1         G   1 -11.448 -28.732  -0.202
    8   1H2     G   1          1H2         G   1 -11.878 -28.436   1.987
    9   2H2     G   1          2H2         G   1 -13.505 -28.247   2.604
   10   1H2*    G   1          1H2*        G   1 -17.223 -26.258  -1.284
   11   2H2*    G   1          2H2*        G   1 -17.908 -26.455   0.351
   12   1H5*    C   2          1H5*        C   2 -19.482 -25.877   2.371
   13   2H5*    C   2          2H5*        C   2 -20.092 -24.304   2.937
   14    H4*    C   2           H4*        C   2 -18.057 -25.113   4.206
   15    H3*    C   2           H3*        C   2 -18.261 -22.480   2.885
   16    H1*    C   2           H1*        C   2 -14.960 -24.744   3.230
   17   1H4     C   2          1H4         C   2 -12.282 -23.877  -2.516
   18   2H4     C   2          2H4         C   2 -13.844 -23.756  -3.294
   19    H5     C   2           H5         C   2 -15.935 -23.828  -2.079
   20    H6     C   2           H6         C   2 -16.971 -24.031   0.140
   21   1H2*    C   2          1H2*        C   2 -16.088 -22.202   2.297
   22   2H2*    C   2          2H2*        C   2 -15.570 -22.672   3.937
   23   1H5*    A   3          1H5*        A   3 -15.576 -22.843   6.632
   24   2H5*    A   3          2H5*        A   3 -15.802 -21.440   7.704
   25    H4*    A   3           H4*        A   3 -13.394 -22.055   7.489
   26    H3*    A   3           H3*        A   3 -14.417 -19.388   6.686
   27    H1*    A   3           H1*        A   3 -11.362 -21.432   5.082
   28    H8     A   3           H8         A   3 -14.665 -20.372   3.305
   29   1H6     A   3          1H6         A   3 -11.336 -20.233  -1.878
   30   2H6     A   3          2H6         A   3 -12.944 -20.094  -1.203
   31    H2     A   3           H2         A   3  -8.549 -21.086   1.540
   32   1H2*    A   3          1H2*        A   3 -12.837 -18.897   5.124
   33   2H2*    A   3          2H2*        A   3 -11.545 -19.467   6.213
   34   1H5*    C   4          1H5*        C   4 -10.241 -19.771   8.543
   35   2H5*    C   4          2H5*        C   4  -9.882 -18.451   9.683
   36    H4*    C   4           H4*        C   4  -7.937 -18.979   8.186
   37    H3*    C   4           H3*        C   4  -9.200 -16.288   8.295
   38    H1*    C   4           H1*        C   4  -7.472 -18.034   5.141
   39   1H4     C   4          1H4         C   4 -11.375 -16.035   0.486
   40   2H4     C   4          2H4         C   4 -12.732 -15.927   1.584
   41    H5     C   4           H5         C   4 -12.548 -16.345   3.957
   42    H6     C   4           H6         C   4 -11.040 -17.013   5.776
   43   1H2*    C   4          1H2*        C   4  -8.579 -15.577   6.235
   44   2H2*    C   4          2H2*        C   4  -6.947 -16.254   6.436
   45   1H5*    T   5          1H5*        T   5  -4.718 -16.752   7.774
   46   2H5*    T   5          2H5*        T   5  -3.762 -15.559   8.682
   47    H4*    T   5           H4*        T   5  -2.871 -16.008   6.360
   48    H3*    T   5           H3*        T   5  -3.352 -13.351   7.461
   49   1H2*    T   5          1H2*        T   5  -4.525 -12.434   5.735
   50   2H2*    T   5          2H2*        T   5  -3.044 -12.668   4.761
   51    H1*    T   5           H1*        T   5  -3.867 -14.505   3.687
   52    H3     T   5           H3         T   5  -7.399 -13.002   1.287
   53   1H5M    T   5          1H5M        T   5  -9.696 -11.918   5.344
   54   2H5M    T   5          2H5M        T   5  -8.910 -12.980   6.530
   55   3H5M    T   5          3H5M        T   5 -10.055 -13.656   5.348
   56    H6     T   5           H6         T   5  -6.736 -13.751   6.000
   57   1H5*    G   6          1H5*        G   6  -0.154 -13.203   4.115
   58   2H5*    G   6          2H5*        G   6   1.274 -12.310   4.712
   59    H4*    G   6           H4*        G   6   0.667 -11.647   2.392
   60    H3*    G   6           H3*        G   6   0.745  -9.722   4.580
   61    H1*    G   6           H1*        G   6  -1.745  -9.756   1.467
   62    H8     G   6           H8         G   6  -3.116 -10.141   5.126
   63    H1     G   6           H1         G   6  -7.484  -8.496   0.782
   64   1H2     G   6          1H2         G   6  -6.514  -8.293  -1.234
   65   2H2     G   6          2H2         G   6  -4.805  -8.574  -1.481
   66   1H2*    G   6          1H2*        G   6  -1.221  -8.626   4.185
   67   2H2*    G   6          2H2*        G   6  -0.554  -8.171   2.598
   68   1H5*    C   7          1H5*        C   7   1.108  -8.402   0.255
   69   2H5*    C   7          2H5*        C   7   2.606  -7.477  -0.002
   70    H4*    C   7           H4*        C   7   0.888  -6.689  -1.570
   71    H3*    C   7           H3*        C   7   2.078  -4.899   0.395
   72    H1*    C   7           H1*        C   7  -1.685  -4.867  -0.945
   73   1H4     C   7          1H4         C   7  -5.813  -4.714   3.939
   74   2H4     C   7          2H4         C   7  -4.607  -5.287   5.070
   75    H5     C   7           H5         C   7  -2.319  -5.728   4.452
   76    H6     C   7           H6         C   7  -0.693  -5.732   2.617
   77   1H2*    C   7          1H2*        C   7   0.189  -3.863   1.165
   78   2H2*    C   7          2H2*        C   7  -0.075  -3.288  -0.503
   79   1H5*    A   8          1H5*        A   8   0.313  -2.670  -3.404
   80   2H5*    A   8          2H5*        A   8   1.653  -1.664  -4.008
   81    H4*    A   8           H4*        A   8  -0.377  -0.349  -4.200
   82    H3*    A   8           H3*        A   8   1.664   0.467  -2.254
   83    H1*    A   8           H1*        A   8  -2.296   0.917  -2.046
   84    H8     A   8           H8         A   8  -0.093  -0.842   0.681
   85   1H6     A   8          1H6         A   8  -5.103  -0.906   4.189
   86   2H6     A   8          2H6         A   8  -3.409  -1.324   4.066
   87    H2     A   8           H2         A   8  -6.214   0.995   0.229
   88   1H2*    A   8          1H2*        A   8   0.309   1.221  -0.614
   89   2H2*    A   8          2H2*        A   8  -0.472   2.293  -1.800
   90   1H5*    T   9          1H5*        T   9   1.995   3.104  -1.812
   91   2H5*    T   9          2H5*        T   9   2.856   4.624  -2.073
   92    H4*    T   9           H4*        T   9   4.215   1.901  -2.162
   93    H3*    T   9           H3*        T   9   3.431   3.439   0.195
   94   1H2*    T   9          1H2*        T   9   5.338   4.570   0.581
   95   2H2*    T   9          2H2*        T   9   6.188   3.009   0.687
   96    H1*    T   9           H1*        T   9   7.074   3.200  -1.389
   97    H3     T   9           H3         T   9   9.425   7.100  -0.771
   98   1H5M    T   9          1H5M        T   9   4.539   8.838  -1.451
   99   2H5M    T   9          2H5M        T   9   4.940   8.559  -3.156
  100   3H5M    T   9          3H5M        T   9   5.870   9.737  -2.204
  101    H6     T   9           H6         T   9   4.896   6.121  -2.061
  102   1H5*    C  10          1H5*        C  10   6.604   0.479   0.465
  103   2H5*    C  10          2H5*        C  10   6.449  -0.850   1.635
  104    H4*    C  10           H4*        C  10   8.827   0.019   1.399
  105    H3*    C  10           H3*        C  10   7.423  -0.398   3.897
  106    H1*    C  10           H1*        C  10   9.865   2.694   3.118
  107   1H4     C  10          1H4         C  10   6.637   8.036   4.644
  108   2H4     C  10          2H4         C  10   5.103   7.268   4.305
  109    H5     C  10           H5         C  10   4.902   4.968   3.582
  110    H6     C  10           H6         C  10   6.113   2.883   3.183
  111   1H2*    C  10          1H2*        C  10   7.738   1.613   4.909
  112   2H2*    C  10          2H2*        C  10   9.486   1.255   4.867
  113   1H5*    C  11          1H5*        C  11  12.179  -0.562   4.631
  114   2H5*    C  11          2H5*        C  11  12.526  -1.366   6.173
  115    H4*    C  11           H4*        C  11  13.292   1.153   5.754
  116    H3*    C  11           H3*        C  11  12.421  -0.148   8.265
  117    H1*    C  11           H1*        C  11  11.932   3.565   6.976
  118   1H4     C  11          1H4         C  11   6.141   5.653   8.628
  119   2H4     C  11          2H4         C  11   5.426   4.069   8.423
  120    H5     C  11           H5         C  11   6.714   2.107   7.810
  121    H6     C  11           H6         C  11   8.965   1.248   7.306
  122   1H2*    C  11          1H2*        C  11  11.154   1.563   9.059
  123   2H2*    C  11          2H2*        C  11  12.584   2.620   8.958
  124   1H5*    T  12          1H5*        T  12  16.440   3.194  10.735
  125   2H5*    T  12          2H5*        T  12  15.015   3.040  11.791
  126    H4*    T  12           H4*        T  12  15.583   5.429  11.642
  127    H3*    T  12           H3*        T  12  13.047   4.451  10.738
  128   1H2*    T  12          1H2*        T  12  12.990   5.272   8.613
  129   2H2*    T  12          2H2*        T  12  12.961   6.893   9.358
  130    H1*    T  12           H1*        T  12  15.168   7.286   8.858
  131    H3     T  12           H3         T  12  14.275   6.919   4.325
  132   1H5M    T  12          1H5M        T  12  16.543   2.854   4.156
  133   2H5M    T  12          2H5M        T  12  17.429   2.872   5.698
  134   3H5M    T  12          3H5M        T  12  15.828   2.096   5.597
  135    H6     T  12           H6         T  12  16.070   3.981   7.706
  136   1H5*    T  13          1H5*        T  13  12.275   8.405  12.101
  137   2H5*    T  13          2H5*        T  13  12.427   8.915  13.800
  138    H4*    T  13           H4*        T  13  10.464  10.016  12.714
  139    H3*    T  13           H3*        T  13  10.257   8.493  15.158
  140   1H2*    T  13          1H2*        T  13   8.610   7.044  14.608
  141   2H2*    T  13          2H2*        T  13   7.547   8.473  14.500
  142    H1*    T  13           H1*        T  13   7.568   8.459  12.207
  143    H3     T  13           H3         T  13   5.558   4.333  11.829
  144   1H5M    T  13          1H5M        T  13   9.657   2.209  11.215
  145   2H5M    T  13          2H5M        T  13  10.607   3.568  10.573
  146   3H5M    T  13          3H5M        T  13  10.684   3.169  12.308
  147    H6     T  13           H6         T  13  10.135   5.839  12.056
  148   1H5*    G  14          1H5*        G  14  10.448  14.368  14.563
  149   2H5*    G  14          2H5*        G  14   8.833  14.631  13.861
  150    H4*    G  14           H4*        G  14  11.378  13.533  12.672
  151    H3*    G  14           H3*        G  14   9.399  15.503  11.844
  152    H1*    G  14           H1*        G  14  10.384  12.118  10.104
  153    H8     G  14           H8         G  14   6.565  12.510  10.986
  154    H1     G  14           H1         G  14   8.235   6.964   8.327
  155   1H2     G  14          1H2         G  14  10.470   6.932   8.018
  156   2H2     G  14          2H2         G  14  11.491   8.277   8.474
  157   1H2*    G  14          1H2*        G  14   8.189  14.159  10.426
  158   2H2*    G  14          2H2*        G  14   9.635  14.177   9.385
  159   1H5*    G  15          1H5*        G  15  13.499  14.465   9.981
  160   2H5*    G  15          2H5*        G  15  14.272  15.744   9.008
  161    H4*    G  15           H4*        G  15  14.980  13.405   8.389
  162    H3*    G  15           H3*        G  15  13.931  15.336   6.470
  163    H1*    G  15           H1*        G  15  13.417  11.376   6.491
  164    H8     G  15           H8         G  15  10.343  13.764   6.932
  165    H1     G  15           H1         G  15   8.868   7.870   4.985
  166   1H2     G  15          1H2         G  15  10.739   6.650   4.751
  167   2H2     G  15          2H2         G  15  12.328   7.303   5.082
  168   1H2*    G  15          1H2*        G  15  12.451  13.978   5.368
  169   2H2*    G  15          2H2*        G  15  13.847  12.974   4.901
  170   1H5*    A  16          1H5*        A  16  16.646  11.994   5.694
  171   2H5*    A  16          2H5*        A  16  18.116  12.212   4.718
  172    H4*    A  16           H4*        A  16  17.195   9.888   4.541
  173    H3*    A  16           H3*        A  16  17.771  11.583   2.241
  174    H1*    A  16           H1*        A  16  14.883   8.907   2.656
  175    H8     A  16           H8         A  16  13.763  12.645   2.355
  176   1H6     A  16          1H6         A  16   8.549  10.397  -0.002
  177   2H6     A  16          2H6         A  16   9.411  11.847   0.458
  178    H2     A  16           H2         A  16  11.276   6.929   0.937
  179   1H2*    A  16          1H2*        A  16  15.791  11.325   1.121
  180   2H2*    A  16          2H2*        A  16  16.240   9.613   0.941
  181   1H5*    C  17          1H5*        C  17  16.844   7.389   2.255
  182   2H5*    C  17          2H5*        C  17  18.204   6.356   1.771
  183    H4*    C  17           H4*        C  17  16.151   5.090   1.458
  184    H3*    C  17           H3*        C  17  17.824   5.756  -0.838
  185    H1*    C  17           H1*        C  17  13.871   5.359  -0.691
  186   1H4     C  17          1H4         C  17  10.940  10.140  -3.781
  187   2H4     C  17          2H4         C  17  12.244  11.253  -3.428
  188    H5     C  17           H5         C  17  14.249  10.607  -2.259
  189    H6     C  17           H6         C  17  15.426   8.770  -1.144
  190   1H2*    C  17          1H2*        C  17  16.173   6.404  -2.298
  191   2H2*    C  17          2H2*        C  17  15.526   4.747  -2.152
  192   1H5*    G  18          1H5*        G  18  15.099   2.276  -1.071
  193   2H5*    G  18          2H5*        G  18  15.846   0.717  -1.531
  194    H4*    G  18           H4*        G  18  13.570   0.958  -2.487
  195    H3*    G  18           H3*        G  18  15.917   0.551  -4.156
  196    H1*    G  18           H1*        G  18  12.654   2.616  -4.950
  197    H8     G  18           H8         G  18  15.915   4.790  -4.621
  198    H1     G  18           H1         G  18  11.137   7.450  -7.903
  199   1H2     G  18          1H2         G  18   9.412   6.008  -8.025
  200   2H2     G  18          2H2         G  18   9.474   4.421  -7.294
  201   1H2*    G  18          1H2*        G  18  15.580   2.312  -5.610
  202   2H2*    G  18          2H2*        G  18  14.169   1.386  -6.185
  203   1H5*    C  19          1H5*        C  19  14.704  -2.080  -7.977
  204   2H5*    C  19          2H5*        C  19  15.095  -0.674  -6.996
  205    H4*    C  19           H4*        C  19  12.417  -1.287  -6.293
  206    H3*    C  19           H3*        C  19  12.678  -2.415  -8.860
  207    H1*    C  19           H1*        C  19  11.414   1.302  -8.315
  208   1H4     C  19          1H4         C  19  14.864   5.505 -11.708
  209   2H4     C  19          2H4         C  19  16.362   4.717 -11.267
  210    H5     C  19           H5         C  19  16.456   2.723  -9.906
  211    H6     C  19           H6         C  19  15.132   1.030  -8.723
  212   1H2*    C  19          1H2*        C  19  13.064  -0.483 -10.089
  213   2H2*    C  19          2H2*        C  19  11.291  -0.331  -9.958
  214   1H5*    T  20          1H5*        T  20   7.702  -2.541 -10.964
  215   2H5*    T  20          2H5*        T  20   9.214  -2.424 -11.890
  216    H4*    T  20           H4*        T  20   7.569  -1.012 -12.956
  217    H3*    T  20           H3*        T  20  10.016   0.042 -12.162
  218   1H2*    T  20          1H2*        T  20   9.465   1.296 -10.308
  219   2H2*    T  20          2H2*        T  20   8.828   2.457 -11.503
  220    H1*    T  20           H1*        T  20   6.675   1.995 -10.940
  221    H3     T  20           H3         T  20   7.639   2.915  -6.431
  222   1H5M    T  20          1H5M        T  20   6.357  -1.429  -5.360
  223   2H5M    T  20          2H5M        T  20   5.427  -1.861  -6.814
  224   3H5M    T  20          3H5M        T  20   7.145  -2.314  -6.688
  225    H6     T  20           H6         T  20   6.679  -0.999  -9.084
  226   1H5*    T  21          1H5*        T  21   9.552   3.442 -13.761
  227   2H5*    T  21          2H5*        T  21   8.885   3.548 -15.403
  228    H4*    T  21           H4*        T  21  10.305   5.541 -14.745
  229    H3*    T  21           H3*        T  21  10.511   4.100 -17.228
  230   1H2*    T  21          1H2*        T  21  12.720   3.564 -17.272
  231   2H2*    T  21          2H2*        T  21  13.052   5.319 -17.294
  232    H1*    T  21           H1*        T  21  13.745   5.305 -15.116
  233    H3     T  21           H3         T  21  16.996   2.088 -15.748
  234   1H5M    T  21          1H5M        T  21  14.321  -1.161 -13.743
  235   2H5M    T  21          2H5M        T  21  13.474  -0.094 -12.601
  236   3H5M    T  21          3H5M        T  21  12.682  -0.579 -14.120
  237    H6     T  21           H6         T  21  12.434   2.054 -14.171
  238   1H5*    G  22          1H5*        G  22   7.859   8.875 -18.201
  239   2H5*    G  22          2H5*        G  22   8.912  10.198 -17.662
  240    H4*    G  22           H4*        G  22   6.430   9.265 -16.535
  241    H3*    G  22           H3*        G  22   8.207  11.514 -16.062
  242    H1*    G  22           H1*        G  22   7.738   8.797 -13.083
  243    H8     G  22           H8         G  22  10.700  10.320 -15.125
  244    H1     G  22           H1         G  22  12.364   5.473 -11.340
  245   1H2     G  22          1H2         G  22  10.527   4.562 -10.412
  246   2H2     G  22          2H2         G  22   8.919   5.171 -10.734
  247   1H2*    G  22          1H2*        G  22   8.809  11.304 -13.894
  248   2H2*    G  22          2H2*        G  22   7.126  10.965 -13.438
  249   1H5*    C  23          1H5*        C  23   5.554   8.026 -14.409
  250   2H5*    C  23          2H5*        C  23   3.845   8.431 -14.151
  251    H4*    C  23           H4*        C  23   4.559   6.906 -12.390
  252    H3*    C  23           H3*        C  23   3.671   9.613 -11.698
  253    H1*    C  23           H1*        C  23   6.242   7.225  -9.932
  254   1H4     C  23          1H4         C  23  11.928   9.614  -8.350
  255   2H4     C  23          2H4         C  23  11.660  11.096  -9.238
  256    H5     C  23           H5         C  23   9.613  11.556 -10.453
  257    H6     C  23           H6         C  23   7.420  10.672 -11.103
  258   1H2*    C  23          1H2*        C  23   5.345  10.100 -10.189
  259   2H2*    C  23          2H2*        C  23   4.691   8.769  -9.197
  260   1H5*    G  24          1H5*        G  24   2.802   5.777  -9.138
  261   2H5*    G  24          2H5*        G  24   1.145   5.802  -8.470
  262    H4*    G  24           H4*        G  24   2.669   4.563  -6.979
  263    H3*    G  24           H3*        G  24   1.402   7.050  -6.068
  264    H1*    G  24           H1*        G  24   4.943   5.497  -5.071
  265    H8     G  24           H8         G  24   4.541   9.101  -6.568
  266    H1     G  24           H1         G  24  10.283   7.950  -4.051
  267   1H2     G  24          1H2         G  24  10.403   5.836  -3.326
  268   2H2     G  24          2H2         G  24   9.061   4.721  -3.460
  269   1H2*    G  24          1H2*        G  24   3.132   7.879  -4.857
  270   2H2*    G  24          2H2*        G  24   3.149   6.370  -3.915
  271   1H5*    C  25          1H5*        C  25  -2.048   7.751  -4.637
  272   2H5*    C  25          2H5*        C  25  -1.660   7.114  -3.021
  273    H4*    C  25           H4*        C  25  -3.783   5.995  -4.930
  274    H3*    C  25           H3*        C  25  -3.969   8.101  -2.954
  275    H1*    C  25           H1*        C  25  -5.183   4.326  -2.421
  276   1H4     C  25          1H4         C  25  -2.875   2.877   3.454
  277   2H4     C  25          2H4         C  25  -1.259   2.922   2.785
  278    H5     C  25           H5         C  25  -0.793   3.552   0.497
  279    H6     C  25           H6         C  25  -1.751   4.448  -1.571
  280   1H2*    C  25          1H2*        C  25  -4.395   6.875  -1.092
  281   2H2*    C  25          2H2*        C  25  -5.941   6.436  -1.865
  282   1H5*    C  26          1H5*        C  26  -8.467   7.436  -3.628
  283   2H5*    C  26          2H5*        C  26  -9.090   8.948  -4.329
  284    H4*    C  26           H4*        C  26 -10.411   8.247  -2.322
  285    H3*    C  26           H3*        C  26  -9.140  10.858  -2.585
  286    H1*    C  26           H1*        C  26  -9.494   8.704   0.772
  287   1H4     C  26          1H4         C  26  -3.768   8.628   3.639
  288   2H4     C  26          2H4         C  26  -2.932   8.899   2.127
  289    H5     C  26           H5         C  26  -4.074   9.234   0.030
  290    H6     C  26           H6         C  26  -6.260   9.321  -1.086
  291   1H2*    C  26          1H2*        C  26  -8.174  11.043  -0.529
  292   2H2*    C  26          2H2*        C  26  -9.807  10.889   0.169
  293   1H5*    A  27          1H5*        A  27 -12.853  10.853   0.443
  294   2H5*    A  27          2H5*        A  27 -13.803  12.296   0.020
  295    H4*    A  27           H4*        A  27 -13.671  12.040   2.481
  296    H3*    A  27           H3*        A  27 -12.717  14.435   1.107
  297    H1*    A  27           H1*        A  27 -11.184  12.737   4.383
  298    H8     A  27           H8         A  27  -9.076  13.091   1.083
  299   1H6     A  27          1H6         A  27  -4.174  11.970   4.620
  300   2H6     A  27          2H6         A  27  -4.731  12.307   2.996
  301    H2     A  27           H2         A  27  -7.819  11.892   7.252
  302   1H2*    A  27          1H2*        A  27 -10.732  14.729   2.200
  303   2H2*    A  27          2H2*        A  27 -11.667  14.867   3.710
  304   1H5*    C  28          1H5*        C  28 -14.129  14.886   5.430
  305   2H5*    C  28          2H5*        C  28 -14.482  16.502   6.071
  306    H4*    C  28           H4*        C  28 -12.629  15.035   7.229
  307    H3*    C  28           H3*        C  28 -12.633  17.962   6.770
  308    H1*    C  28           H1*        C  28  -9.738  15.320   7.014
  309   1H4     C  28          1H4         C  28  -4.927  16.766   3.105
  310   2H4     C  28          2H4         C  28  -6.004  17.314   1.841
  311    H5     C  28           H5         C  28  -8.427  17.327   2.080
  312    H6     C  28           H6         C  28 -10.300  16.904   3.623
  313   1H2*    C  28          1H2*        C  28 -10.432  18.135   6.194
  314   2H2*    C  28          2H2*        C  28 -10.029  17.474   7.801
  315   1H5*    T  29          1H5*        T  29 -10.554  18.451  12.163
  316   2H5*    T  29          2H5*        T  29  -9.906  19.658  11.029
  317    H4*    T  29           H4*        T  29  -8.049  18.788  12.339
  318    H3*    T  29           H3*        T  29  -7.995  18.650   9.542
  319   1H2*    T  29          1H2*        T  29  -8.285  16.358   9.238
  320   2H2*    T  29          2H2*        T  29  -6.541  16.328   9.632
  321    H1*    T  29           H1*        T  29  -6.897  15.553  11.761
  322    H3     T  29           H3         T  29  -8.356  11.442  10.322
  323   1H5M    T  29          1H5M        T  29 -12.828  12.739  10.524
  324   2H5M    T  29          2H5M        T  29 -12.717  13.976  11.798
  325   3H5M    T  29          3H5M        T  29 -12.694  14.457  10.082
  326    H6     T  29           H6         T  29 -10.551  15.635  11.258
  327   1H5*    T  30          1H5*        T  30  -3.984  17.792  10.379
  328   2H5*    T  30          2H5*        T  30  -3.045  18.909  11.394
  329    H4*    T  30           H4*        T  30  -1.572  17.677   9.793
  330    H3*    T  30           H3*        T  30  -1.524  20.493  10.119
  331   1H2*    T  30          1H2*        T  30  -2.289  21.198   8.070
  332   2H2*    T  30          2H2*        T  30  -0.678  20.687   7.488
  333    H1*    T  30           H1*        T  30  -1.518  18.798   6.475
  334    H3     T  30           H3         T  30  -4.127  21.283   3.579
  335   1H5M    T  30          1H5M        T  30  -7.982  20.096   5.910
  336   2H5M    T  30          2H5M        T  30  -7.405  18.705   6.858
  337   3H5M    T  30          3H5M        T  30  -7.380  20.340   7.567
  338    H6     T  30           H6         T  30  -4.901  19.024   7.771
  339   1H5*    G  31          1H5*        G  31   2.686  17.068  11.952
  340   2H5*    G  31          2H5*        G  31   3.343  16.445  10.421
  341    H4*    G  31           H4*        G  31   0.875  15.733  11.952
  342    H3*    G  31           H3*        G  31   2.841  14.265  10.394
  343    H1*    G  31           H1*        G  31  -1.044  14.558   9.754
  344    H8     G  31           H8         G  31   1.308  15.987   6.929
  345    H1     G  31           H1         G  31  -4.894  15.668   5.481
  346   1H2     G  31          1H2         G  31  -6.031  14.851   7.255
  347   2H2     G  31          2H2         G  31  -5.232  14.404   8.745
  348   1H2*    G  31          1H2*        G  31   1.621  14.020   8.463
  349   2H2*    G  31          2H2*        G  31   0.570  12.950   9.423
  350   1H5*    T  32          1H5*        T  32  -0.247  12.494  13.446
  351   2H5*    T  32          2H5*        T  32   0.086  10.842  14.005
  352    H4*    T  32           H4*        T  32  -2.373  11.481  13.999
  353    H3*    T  32           H3*        T  32  -1.286   9.002  12.907
  354   1H2*    T  32          1H2*        T  32  -2.356   8.984  10.894
  355   2H2*    T  32          2H2*        T  32  -3.879   8.922  11.821
  356    H1*    T  32           H1*        T  32  -4.350  11.120  11.487
  357    H3     T  32           H3         T  32  -4.891  11.661   7.025
  358   1H5M    T  32          1H5M        T  32   0.434  10.824   7.861
  359   2H5M    T  32          2H5M        T  32   0.017  12.288   6.947
  360   3H5M    T  32          3H5M        T  32  -0.300  10.691   6.247
  361    H6     T  32           H6         T  32  -1.000  10.941   9.781
  362   1H5*    G  33          1H5*        G  33  -5.847   8.623  14.019
  363   2H5*    G  33          2H5*        G  33  -6.037   7.105  14.939
  364    H4*    G  33           H4*        G  33  -7.866   7.456  13.274
  365    H3*    G  33           H3*        G  33  -6.188   5.080  13.288
  366    H1*    G  33           H1*        G  33  -7.720   6.939  10.119
  367    H8     G  33           H8         G  33  -3.821   6.770  10.565
  368    H1     G  33           H1         G  33  -5.806   8.182   4.676
  369   1H2     G  33          1H2         G  33  -8.052   8.193   4.610
  370   2H2     G  33          2H2         G  33  -9.029   7.857   6.022
  371   1H2*    G  33          1H2*        G  33  -5.656   4.987  11.062
  372   2H2*    G  33          2H2*        G  33  -7.397   4.762  10.749
  373   1H5*    G  34          1H5*        G  34 -10.057   5.179  11.051
  374   2H5*    G  34          2H5*        G  34 -11.203   3.958  11.672
  375    H4*    G  34           H4*        G  34 -11.631   4.382   9.289
  376    H3*    G  34           H3*        G  34 -10.790   1.745  10.193
  377    H1*    G  34           H1*        G  34  -9.886   3.530   6.746
  378    H8     G  34           H8         G  34  -7.041   2.654   9.301
  379    H1     G  34           H1         G  34  -5.032   3.613   3.324
  380   1H2     G  34          1H2         G  34  -6.767   4.111   1.998
  381   2H2     G  34          2H2         G  34  -8.408   4.204   2.597
  382   1H2*    G  34          1H2*        G  34  -9.174   1.320   8.640
  383   2H2*    G  34          2H2*        G  34 -10.457   1.415   7.416
  384   1H5*    T  35          1H5*        T  35 -14.194   2.215   6.680
  385   2H5*    T  35          2H5*        T  35 -15.154   0.721   6.616
  386    H4*    T  35           H4*        T  35 -14.727   1.822   4.348
  387    H3*    T  35           H3*        T  35 -14.357  -1.020   4.955
  388   1H2*    T  35          1H2*        T  35 -12.350  -1.347   3.925
  389   2H2*    T  35          2H2*        T  35 -13.122  -0.828   2.406
  390    H1*    T  35           H1*        T  35 -12.233   1.292   2.502
  391    H3     T  35           H3         T  35  -7.701   0.771   2.257
  392   1H5M    T  35          1H5M        T  35  -7.921  -1.738   6.390
  393   2H5M    T  35          2H5M        T  35  -9.253  -0.912   7.224
  394   3H5M    T  35          3H5M        T  35  -7.691  -0.096   7.014
  395    H6     T  35           H6         T  35 -10.928  -0.187   5.701
  396   1H5*    G  36          1H5*        G  36 -14.804  -0.193   0.446
  397   2H5*    G  36          2H5*        G  36 -16.072  -1.266  -0.214
  398    H4*    G  36           H4*        G  36 -14.065  -1.067  -1.713
  399    H3*    G  36           H3*        G  36 -15.077  -3.616  -0.719
  400    H1*    G  36           H1*        G  36 -11.253  -2.622  -1.347
  401    H8     G  36           H8         G  36 -12.590  -3.313   2.264
  402    H1     G  36           H1         G  36  -6.317  -4.229   1.561
  403   1H2     G  36          1H2         G  36  -5.728  -3.883  -0.580
  404   2H2     G  36          2H2         G  36  -6.888  -3.423  -1.806
  405   1H2*    G  36          1H2*        G  36 -13.111  -4.588  -0.083
  406   2H2*    G  36          2H2*        G  36 -12.579  -4.434  -1.777
  407   1H5*    C  37          1H5*        C  37 -12.583  -3.685  -4.653
  408   2H5*    C  37          2H5*        C  37 -13.437  -4.645  -5.884
  409    H4*    C  37           H4*        C  37 -10.962  -4.979  -5.998
  410    H3*    C  37           H3*        C  37 -12.867  -7.175  -5.690
  411    H1*    C  37           H1*        C  37  -9.205  -6.889  -4.121
  412   1H4     C  37          1H4         C  37  -9.416  -8.423   2.083
  413   2H4     C  37          2H4         C  37 -11.131  -8.096   2.183
  414    H5     C  37           H5         C  37 -12.455  -7.401   0.287
  415    H6     C  37           H6         C  37 -12.422  -6.878  -2.111
  416   1H2*    C  37          1H2*        C  37 -11.791  -8.385  -4.077
  417   2H2*    C  37          2H2*        C  37 -10.409  -8.503  -5.193
  418   1H5*    A  38          1H5*        A  38  -8.764  -8.123  -7.828
  419   2H5*    A  38          2H5*        A  38  -9.072  -9.152  -9.246
  420    H4*    A  38           H4*        A  38  -6.977  -9.818  -8.061
  421    H3*    A  38           H3*        A  38  -9.157 -11.670  -8.617
  422    H1*    A  38           H1*        A  38  -6.791 -11.625  -5.404
  423    H8     A  38           H8         A  38 -10.643 -10.954  -5.051
  424   1H6     A  38          1H6         A  38  -9.863 -12.222   0.910
  425   2H6     A  38          2H6         A  38 -11.003 -11.721  -0.318
  426    H2     A  38           H2         A  38  -5.894 -12.744  -1.143
  427   1H2*    A  38          1H2*        A  38  -9.341 -12.662  -6.566
  428   2H2*    A  38          2H2*        A  38  -7.664 -13.223  -6.780
  429   1H5*    G  39          1H5*        G  39  -5.061 -13.019  -7.565
  430   2H5*    G  39          2H5*        G  39  -4.326 -14.125  -8.759
  431    H4*    G  39           H4*        G  39  -3.482 -14.598  -6.494
  432    H3*    G  39           H3*        G  39  -4.944 -16.616  -7.992
  433    H1*    G  39           H1*        G  39  -4.936 -16.022  -4.062
  434    H8     G  39           H8         G  39  -8.294 -15.451  -6.018
  435    H1     G  39           H1         G  39  -8.970 -16.431   0.249
  436   1H2     G  39          1H2         G  39  -6.959 -16.848   1.172
  437   2H2     G  39          2H2         G  39  -5.485 -16.863   0.229
  438   1H2*    G  39          1H2*        G  39  -6.399 -17.291  -6.351
  439   2H2*    G  39          2H2*        G  39  -4.965 -17.852  -5.451
  440   1H5*    T  40          1H5*        T  40  -2.338 -17.675  -4.578
  441   2H5*    T  40          2H5*        T  40  -1.132 -18.956  -4.846
  442    H4*    T  40           H4*        T  40  -2.082 -19.022  -2.530
  443    H3*    T  40           H3*        T  40  -2.289 -21.296  -4.425
  444   1H2*    T  40          1H2*        T  40  -4.312 -22.100  -3.669
  445   2H2*    T  40          2H2*        T  40  -3.632 -22.169  -2.018
  446    H1*    T  40           H1*        T  40  -4.559 -20.159  -1.393
  447    H3     T  40           H3         T  40  -9.016 -20.795  -1.393
  448   1H5M    T  40          1H5M        T  40  -7.751 -20.885  -6.577
  449   2H5M    T  40          2H5M        T  40  -8.194 -19.197  -6.254
  450   3H5M    T  40          3H5M        T  40  -9.396 -20.484  -6.030
  451    H6     T  40           H6         T  40  -5.814 -20.221  -4.949
  452   1H5*    G  41          1H5*        G  41  -1.728 -22.205   0.114
  453   2H5*    G  41          2H5*        G  41  -0.677 -23.633   0.337
  454    H4*    G  41           H4*        G  41  -2.593 -23.652   1.903
  455    H3*    G  41           H3*        G  41  -2.374 -25.763  -0.190
  456    H1*    G  41           H1*        G  41  -5.564 -24.225   1.627
  457    H8     G  41           H8         G  41  -5.041 -24.195  -2.253
  458    H1     G  41           H1         G  41 -11.126 -24.090  -0.360
  459   1H2     G  41          1H2         G  41 -11.225 -24.248   1.883
  460   2H2     G  41          2H2         G  41  -9.788 -24.370   2.873
  461   1H2*    G  41          1H2*        G  41  -4.596 -26.249  -0.314
  462   2H2*    G  41          2H2*        G  41  -4.696 -26.327   1.465
  463   1H5*    C  42          1H5*        C  42  -3.861 -26.436   3.959
  464   2H5*    C  42          2H5*        C  42  -3.155 -27.853   4.774
  465    H4*    C  42           H4*        C  42  -5.514 -27.522   5.461
  466    H3*    C  42           H3*        C  42  -4.665 -29.990   4.037
  467    H1*    C  42           H1*        C  42  -8.221 -28.158   3.925
  468   1H4     C  42          1H4         C  42  -9.819 -28.940  -2.226
  469   2H4     C  42          2H4         C  42  -8.141 -29.016  -2.717
  470    H5     C  42           H5         C  42  -6.301 -28.904  -1.161
  471    H6     C  42           H6         C  42  -5.670 -28.712   1.206
  472   1H2*    C  42          1H2*        C  42  -6.689 -30.547   3.159
  473   2H2*    C  42          2H2*        C  42  -7.494 -30.175   4.708
  474   1HN1  NCO  43          1HN1      NCO  43   3.860   8.813   3.578
  475   2HN1  NCO  43          2HN1      NCO  43   4.410   9.975   4.564
  476   3HN1  NCO  43          3HN1      NCO  43   2.896  10.046   4.001
  477   1HN2  NCO  43          1HN2      NCO  43   4.251  12.417   0.144
  478   2HN2  NCO  43          2HN2      NCO  43   5.722  12.622   0.790
  479   3HN2  NCO  43          3HN2      NCO  43   5.425  11.353  -0.172
  480   1HN3  NCO  43          1HN3      NCO  43   2.560  12.467   2.771
  481   2HN3  NCO  43          2HN3      NCO  43   3.705  12.553   3.908
  482   3HN3  NCO  43          3HN3      NCO  43   3.901  13.334   2.501
  483   1HN4  NCO  43          1HN4      NCO  43   6.964  11.211   2.507
  484   2HN4  NCO  43          2HN4      NCO  43   6.169  12.346   3.349
  485   3HN4  NCO  43          3HN4      NCO  43   6.306  10.842   3.936
  486   1HN5  NCO  43          1HN5      NCO  43   4.732   8.515   1.150
  487   2HN5  NCO  43          2HN5      NCO  43   5.974   9.428   0.655
  488   3HN5  NCO  43          3HN5      NCO  43   5.978   8.805   2.144
  489   1HN6  NCO  43          1HN6      NCO  43   2.359   9.511   1.567
  490   2HN6  NCO  43          2HN6      NCO  43   2.095  11.062   1.177
  491   3HN6  NCO  43          3HN6      NCO  43   2.982  10.125   0.204
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1 -16.671 -30.192  -4.379
    2   2H5*    G   1          2H5*        G   1 -17.759 -28.812  -4.061
    3    H4*    G   1           H4*        G   1 -17.140 -29.804  -1.927
    4    H3*    G   1           H3*        G   1 -16.109 -27.148  -2.601
    5    H1*    G   1           H1*        G   1 -14.036 -29.973  -0.592
    6    H8     G   1           H8         G   1 -13.355 -29.373  -4.307
    7    H1     G   1           H1         G   1  -8.071 -29.026  -0.743
    8   1H2     G   1          1H2         G   1  -8.621 -29.091   1.438
    9   2H2     G   1          2H2         G   1 -10.279 -29.216   1.982
   10   1H2*    G   1          1H2*        G   1 -14.043 -27.258  -1.679
   11   2H2*    G   1          2H2*        G   1 -14.753 -27.851  -0.154
   12   1H5*    C   2          1H5*        C   2 -16.418 -27.881   1.869
   13   2H5*    C   2          2H5*        C   2 -17.260 -26.544   2.687
   14    H4*    C   2           H4*        C   2 -15.179 -27.307   3.902
   15    H3*    C   2           H3*        C   2 -15.697 -24.521   3.080
   16    H1*    C   2           H1*        C   2 -12.126 -26.360   3.178
   17   1H4     C   2          1H4         C   2  -9.438 -24.122  -2.178
   18   2H4     C   2          2H4         C   2 -10.981 -24.060  -3.000
   19    H5     C   2           H5         C   2 -13.076 -24.611  -1.922
   20    H6     C   2           H6         C   2 -14.135 -25.347   0.170
   21   1H2*    C   2          1H2*        C   2 -13.570 -23.861   2.662
   22   2H2*    C   2          2H2*        C   2 -13.035 -24.554   4.216
   23   1H5*    A   3          1H5*        A   3 -13.049 -25.185   6.855
   24   2H5*    A   3          2H5*        A   3 -13.545 -24.042   8.126
   25    H4*    A   3           H4*        A   3 -11.064 -24.220   7.976
   26    H3*    A   3           H3*        A   3 -12.490 -21.658   7.573
   27    H1*    A   3           H1*        A   3  -9.082 -22.863   5.832
   28    H8     A   3           H8         A   3 -12.454 -22.075   4.038
   29   1H6     A   3          1H6         A   3  -9.028 -20.684  -0.886
   30   2H6     A   3          2H6         A   3 -10.658 -20.893  -0.284
   31    H2     A   3           H2         A   3  -6.249 -21.591   2.529
   32   1H2*    A   3          1H2*        A   3 -11.013 -20.673   6.158
   33   2H2*    A   3          2H2*        A   3  -9.656 -21.149   7.213
   34   1H5*    C   4          1H5*        C   4  -8.302 -21.555   9.554
   35   2H5*    C   4          2H5*        C   4  -8.228 -20.333  10.846
   36    H4*    C   4           H4*        C   4  -6.217 -20.288   9.325
   37    H3*    C   4           H3*        C   4  -7.964 -17.927   9.796
   38    H1*    C   4           H1*        C   4  -5.923 -18.871   6.493
   39   1H4     C   4          1H4         C   4  -9.977 -17.088   1.887
   40   2H4     C   4          2H4         C   4 -11.367 -17.365   2.913
   41    H5     C   4           H5         C   4 -11.190 -18.049   5.224
   42    H6     C   4           H6         C   4  -9.642 -18.618   7.045
   43   1H2*    C   4          1H2*        C   4  -7.546 -16.848   7.846
   44   2H2*    C   4          2H2*        C   4  -5.806 -17.179   7.988
   45   1H5*    T   5          1H5*        T   5  -3.478 -17.495   9.220
   46   2H5*    T   5          2H5*        T   5  -2.731 -16.274  10.274
   47    H4*    T   5           H4*        T   5  -1.824 -16.240   7.922
   48    H3*    T   5           H3*        T   5  -2.802 -13.892   9.338
   49   1H2*    T   5          1H2*        T   5  -4.146 -13.005   7.720
   50   2H2*    T   5          2H2*        T   5  -2.659 -12.833   6.745
   51    H1*    T   5           H1*        T   5  -3.110 -14.647   5.453
   52    H3     T   5           H3         T   5  -6.859 -13.595   3.157
   53   1H5M    T   5          1H5M        T   5  -8.350 -14.383   8.345
   54   2H5M    T   5          2H5M        T   5  -9.338 -15.155   7.085
   55   3H5M    T   5          3H5M        T   5  -9.332 -13.389   7.248
   56    H6     T   5           H6         T   5  -6.068 -14.678   7.780
   57   1H5*    G   6          1H5*        G   6   0.264 -13.267   6.135
   58   2H5*    G   6          2H5*        G   6   1.678 -12.272   6.580
   59    H4*    G   6           H4*        G   6   0.947 -11.857   4.241
   60    H3*    G   6           H3*        G   6   1.041  -9.727   6.228
   61    H1*    G   6           H1*        G   6  -1.548 -10.154   3.226
   62    H8     G   6           H8         G   6  -2.829 -10.360   6.924
   63    H1     G   6           H1         G   6  -7.300  -8.825   2.645
   64   1H2     G   6          1H2         G   6  -6.374  -8.645   0.605
   65   2H2     G   6          2H2         G   6  -4.669  -8.918   0.325
   66   1H2*    G   6          1H2*        G   6  -0.988  -8.746   5.805
   67   2H2*    G   6          2H2*        G   6  -0.389  -8.420   4.160
   68   1H5*    C   7          1H5*        C   7   1.013  -8.985   1.886
   69   2H5*    C   7          2H5*        C   7   2.446  -8.114   1.290
   70    H4*    C   7           H4*        C   7   0.537  -7.632  -0.176
   71    H3*    C   7           H3*        C   7   1.903  -5.516   1.279
   72    H1*    C   7           H1*        C   7  -1.980  -5.735   0.408
   73   1H4     C   7          1H4         C   7  -5.561  -4.601   5.578
   74   2H4     C   7          2H4         C   7  -4.263  -5.044   6.663
   75    H5     C   7           H5         C   7  -2.062  -5.673   5.905
   76    H6     C   7           H6         C   7  -0.637  -6.042   3.944
   77   1H2*    C   7          1H2*        C   7   0.092  -4.381   2.094
   78   2H2*    C   7          2H2*        C   7  -0.375  -4.089   0.397
   79   1H5*    A   8          1H5*        A   8   0.193  -4.128  -3.030
   80   2H5*    A   8          2H5*        A   8   1.558  -3.303  -3.822
   81    H4*    A   8           H4*        A   8  -0.551  -2.088  -4.270
   82    H3*    A   8           H3*        A   8   1.713  -0.838  -2.925
   83    H1*    A   8           H1*        A   8  -2.176  -0.163  -2.263
   84    H8     A   8           H8         A   8   0.339  -1.266   0.553
   85   1H6     A   8          1H6         A   8  -4.340  -0.654   4.454
   86   2H6     A   8          2H6         A   8  -2.640  -1.021   4.274
   87    H2     A   8           H2         A   8  -5.891   0.234   0.307
   88   1H2*    A   8          1H2*        A   8   0.614   0.293  -1.291
   89   2H2*    A   8          2H2*        A   8  -0.299   1.124  -2.571
   90   1H5*    T   9          1H5*        T   9   2.402   4.085  -3.383
   91   2H5*    T   9          2H5*        T   9   2.974   3.528  -4.966
   92    H4*    T   9           H4*        T   9   4.431   1.838  -3.828
   93    H3*    T   9           H3*        T   9   2.968   2.667  -1.430
   94   1H2*    T   9          1H2*        T   9   4.569   3.889  -0.421
   95   2H2*    T   9          2H2*        T   9   5.659   2.486  -0.525
   96    H1*    T   9           H1*        T   9   6.799   3.320  -2.284
   97    H3     T   9           H3         T   9   8.375   7.226  -0.486
   98   1H5M    T   9          1H5M        T   9   3.296   8.277  -1.743
   99   2H5M    T   9          2H5M        T   9   4.236   8.815  -3.148
  100   3H5M    T   9          3H5M        T   9   4.498   9.573  -1.566
  101    H6     T   9           H6         T   9   4.218   5.982  -2.571
  102   1H5*    C  10          1H5*        C  10   6.579   0.165  -1.295
  103   2H5*    C  10          2H5*        C  10   6.462  -1.401  -0.460
  104    H4*    C  10           H4*        C  10   8.732  -0.316  -0.191
  105    H3*    C  10           H3*        C  10   7.094  -1.310   1.990
  106    H1*    C  10           H1*        C  10   9.320   2.035   2.090
  107   1H4     C  10          1H4         C  10   5.464   6.740   4.162
  108   2H4     C  10          2H4         C  10   4.046   5.923   3.544
  109    H5     C  10           H5         C  10   4.134   3.776   2.432
  110    H6     C  10           H6         C  10   5.571   1.893   1.825
  111   1H2*    C  10          1H2*        C  10   7.150   0.468   3.404
  112   2H2*    C  10          2H2*        C  10   8.919   0.251   3.475
  113   1H5*    C  11          1H5*        C  11  11.762  -1.380   3.163
  114   2H5*    C  11          2H5*        C  11  12.032  -2.261   4.676
  115    H4*    C  11           H4*        C  11  12.544   0.368   4.472
  116    H3*    C  11           H3*        C  11  11.576  -1.200   6.825
  117    H1*    C  11           H1*        C  11  10.831   2.545   5.713
  118   1H4     C  11          1H4         C  11   4.830   3.562   7.620
  119   2H4     C  11          2H4         C  11   4.357   1.921   7.242
  120    H5     C  11           H5         C  11   5.913   0.250   6.423
  121    H6     C  11           H6         C  11   8.257  -0.203   5.833
  122   1H2*    C  11          1H2*        C  11  10.392   0.482   7.789
  123   2H2*    C  11          2H2*        C  11  11.756   1.602   7.554
  124   1H5*    T  12          1H5*        T  12  14.970   1.843  10.209
  125   2H5*    T  12          2H5*        T  12  13.325   1.476  10.783
  126    H4*    T  12           H4*        T  12  13.813   3.880  11.156
  127    H3*    T  12           H3*        T  12  11.596   2.982   9.553
  128   1H2*    T  12          1H2*        T  12  11.802   4.219   7.672
  129   2H2*    T  12          2H2*        T  12  11.722   5.688   8.681
  130    H1*    T  12           H1*        T  12  13.959   6.070   8.402
  131    H3     T  12           H3         T  12  13.788   5.570   3.754
  132   1H5M    T  12          1H5M        T  12  16.440   1.757   4.093
  133   2H5M    T  12          2H5M        T  12  17.157   2.009   5.701
  134   3H5M    T  12          3H5M        T  12  15.703   0.994   5.521
  135    H6     T  12           H6         T  12  15.276   2.895   7.483
  136   1H5*    T  13          1H5*        T  13   9.834   6.470  11.428
  137   2H5*    T  13          2H5*        T  13  10.050   6.629  13.189
  138    H4*    T  13           H4*        T  13   7.866   7.610  12.476
  139    H3*    T  13           H3*        T  13   8.087   5.478  14.457
  140   1H2*    T  13          1H2*        T  13   6.434   4.103  13.802
  141   2H2*    T  13          2H2*        T  13   5.294   5.466  13.946
  142    H1*    T  13           H1*        T  13   5.192   5.731  11.681
  143    H3     T  13           H3         T  13   3.926   1.551  10.321
  144   1H5M    T  13          1H5M        T  13   8.350   0.238   9.614
  145   2H5M    T  13          2H5M        T  13   9.231   1.779   9.724
  146   3H5M    T  13          3H5M        T  13   8.981   0.790  11.184
  147    H6     T  13           H6         T  13   8.190   3.580  11.300
  148   1H5*    G  14          1H5*        G  14   7.713  11.371  15.207
  149   2H5*    G  14          2H5*        G  14   6.158  11.625  14.377
  150    H4*    G  14           H4*        G  14   8.929  11.097  13.314
  151    H3*    G  14           H3*        G  14   6.861  13.012  12.708
  152    H1*    G  14           H1*        G  14   8.215  10.178  10.347
  153    H8     G  14           H8         G  14   4.348   9.962  11.054
  154    H1     G  14           H1         G  14   6.812   5.132   7.706
  155   1H2     G  14          1H2         G  14   9.051   5.406   7.539
  156   2H2     G  14          2H2         G  14   9.872   6.777   8.251
  157   1H2*    G  14          1H2*        G  14   5.785  11.824  11.042
  158   2H2*    G  14          2H2*        G  14   7.212  12.239  10.057
  159   1H5*    G  15          1H5*        G  15  11.136  12.712  11.080
  160   2H5*    G  15          2H5*        G  15  11.884  14.201  10.444
  161    H4*    G  15           H4*        G  15  12.881  12.090   9.509
  162    H3*    G  15           H3*        G  15  11.810  14.230   7.843
  163    H1*    G  15           H1*        G  15  11.709  10.300   7.136
  164    H8     G  15           H8         G  15   8.388  12.310   7.642
  165    H1     G  15           H1         G  15   7.684   6.747   4.596
  166   1H2     G  15          1H2         G  15   9.682   5.742   4.368
  167   2H2     G  15          2H2         G  15  11.161   6.455   4.973
  168   1H2*    G  15          1H2*        G  15  10.587  12.969   6.375
  169   2H2*    G  15          2H2*        G  15  12.116  12.188   5.901
  170   1H5*    A  16          1H5*        A  16  15.175  11.498   6.847
  171   2H5*    A  16          2H5*        A  16  16.599  12.052   5.939
  172    H4*    A  16           H4*        A  16  15.943   9.647   5.466
  173    H3*    A  16           H3*        A  16  16.502  11.666   3.443
  174    H1*    A  16           H1*        A  16  13.834   8.729   3.278
  175    H8     A  16           H8         A  16  12.470  12.391   3.434
  176   1H6     A  16          1H6         A  16   7.552  10.232   0.461
  177   2H6     A  16          2H6         A  16   8.291  11.638   1.194
  178    H2     A  16           H2         A  16  10.457   6.825   1.007
  179   1H2*    A  16          1H2*        A  16  14.648  11.380   2.136
  180   2H2*    A  16          2H2*        A  16  15.262   9.748   1.799
  181   1H5*    C  17          1H5*        C  17  16.011   7.459   2.842
  182   2H5*    C  17          2H5*        C  17  17.472   6.604   2.304
  183    H4*    C  17           H4*        C  17  15.528   5.280   1.664
  184    H3*    C  17           H3*        C  17  17.309   6.375  -0.368
  185    H1*    C  17           H1*        C  17  13.391   5.743  -0.602
  186   1H4     C  17          1H4         C  17  10.421  10.766  -3.242
  187   2H4     C  17          2H4         C  17  11.631  11.879  -2.642
  188    H5     C  17           H5         C  17  13.571  11.176  -1.399
  189    H6     C  17           H6         C  17  14.765   9.262  -0.444
  190   1H2*    C  17          1H2*        C  17  15.731   7.137  -1.851
  191   2H2*    C  17          2H2*        C  17  15.186   5.442  -1.996
  192   1H5*    G  18          1H5*        G  18  14.854   2.861  -1.486
  193   2H5*    G  18          2H5*        G  18  15.793   1.453  -2.066
  194    H4*    G  18           H4*        G  18  13.690   1.657  -3.326
  195    H3*    G  18           H3*        G  18  16.265   1.857  -4.664
  196    H1*    G  18           H1*        G  18  12.884   3.688  -5.535
  197    H8     G  18           H8         G  18  15.815   6.055  -4.396
  198    H1     G  18           H1         G  18  11.064   8.868  -7.589
  199   1H2     G  18          1H2         G  18   9.527   7.326  -8.160
  200   2H2     G  18          2H2         G  18   9.704   5.638  -7.743
  201   1H2*    G  18          1H2*        G  18  15.885   3.827  -5.799
  202   2H2*    G  18          2H2*        G  18  14.687   2.898  -6.738
  203   1H5*    C  19          1H5*        C  19  15.870  -0.028  -9.086
  204   2H5*    C  19          2H5*        C  19  15.970   1.182  -7.811
  205    H4*    C  19           H4*        C  19  13.340   0.150  -7.584
  206    H3*    C  19           H3*        C  19  14.017  -0.365 -10.280
  207    H1*    C  19           H1*        C  19  12.177   2.964  -9.128
  208   1H4     C  19          1H4         C  19  15.283   8.129 -11.308
  209   2H4     C  19          2H4         C  19  16.832   7.454 -10.860
  210    H5     C  19           H5         C  19  17.085   5.257  -9.882
  211    H6     C  19           H6         C  19  15.911   3.220  -9.182
  212   1H2*    C  19          1H2*        C  19  14.151   1.806 -11.073
  213   2H2*    C  19          2H2*        C  19  12.371   1.695 -11.053
  214   1H5*    T  20          1H5*        T  20   9.324  -0.694 -12.896
  215   2H5*    T  20          2H5*        T  20  10.851  -0.153 -13.627
  216    H4*    T  20           H4*        T  20   9.037   1.205 -14.494
  217    H3*    T  20           H3*        T  20  11.271   2.386 -13.283
  218   1H2*    T  20          1H2*        T  20  10.424   3.209 -11.309
  219   2H2*    T  20          2H2*        T  20   9.659   4.447 -12.338
  220    H1*    T  20           H1*        T  20   7.589   3.558 -12.021
  221    H3     T  20           H3         T  20   8.104   3.737  -7.362
  222   1H5M    T  20          1H5M        T  20   7.827  -0.908  -7.196
  223   2H5M    T  20          2H5M        T  20   6.999  -1.220  -8.739
  224   3H5M    T  20          3H5M        T  20   8.774  -1.336  -8.640
  225    H6     T  20           H6         T  20   8.120   0.296 -10.743
  226   1H5*    T  21          1H5*        T  21  10.492   5.918 -14.296
  227   2H5*    T  21          2H5*        T  21   9.875   6.244 -15.929
  228    H4*    T  21           H4*        T  21  10.969   8.244 -14.859
  229    H3*    T  21           H3*        T  21  11.493   7.316 -17.521
  230   1H2*    T  21          1H2*        T  21  13.747   6.978 -17.460
  231   2H2*    T  21          2H2*        T  21  13.892   8.743 -17.233
  232    H1*    T  21           H1*        T  21  14.429   8.513 -15.018
  233    H3     T  21           H3         T  21  18.145   5.898 -15.763
  234   1H5M    T  21          1H5M        T  21  15.837   2.036 -14.561
  235   2H5M    T  21          2H5M        T  21  14.643   2.760 -13.459
  236   3H5M    T  21          3H5M        T  21  14.202   2.414 -15.150
  237    H6     T  21           H6         T  21  13.520   4.989 -14.736
  238   1H5*    G  22          1H5*        G  22   8.457  11.979 -17.800
  239   2H5*    G  22          2H5*        G  22   9.314  13.221 -16.861
  240    H4*    G  22           H4*        G  22   6.861  11.805 -16.249
  241    H3*    G  22           H3*        G  22   8.278  14.095 -15.163
  242    H1*    G  22           H1*        G  22   7.947  10.785 -12.832
  243    H8     G  22           H8         G  22  10.835  13.002 -14.256
  244    H1     G  22           H1         G  22  12.807   7.734 -11.262
  245   1H2     G  22          1H2         G  22  11.036   6.461 -10.710
  246   2H2     G  22          2H2         G  22   9.394   6.936 -11.082
  247   1H2*    G  22          1H2*        G  22   8.743  13.509 -13.031
  248   2H2*    G  22          2H2*        G  22   7.088  12.899 -12.820
  249   1H5*    C  23          1H5*        C  23   5.963  10.059 -14.394
  250   2H5*    C  23          2H5*        C  23   4.202  10.225 -14.247
  251    H4*    C  23           H4*        C  23   4.919   8.517 -12.684
  252    H3*    C  23           H3*        C  23   3.730  10.985 -11.644
  253    H1*    C  23           H1*        C  23   6.393   8.565 -10.070
  254   1H4     C  23          1H4         C  23  11.680  11.133  -7.623
  255   2H4     C  23          2H4         C  23  11.333  12.714  -8.284
  256    H5     C  23           H5         C  23   9.357  13.188  -9.607
  257    H6     C  23           H6         C  23   7.320  12.239 -10.586
  258   1H2*    C  23          1H2*        C  23   5.251  11.361  -9.953
  259   2H2*    C  23          2H2*        C  23   4.660   9.842  -9.231
  260   1H5*    G  24          1H5*        G  24   2.979   6.665  -9.653
  261   2H5*    G  24          2H5*        G  24   1.253   6.606  -9.190
  262    H4*    G  24           H4*        G  24   2.607   5.211  -7.676
  263    H3*    G  24           H3*        G  24   1.202   7.581  -6.662
  264    H1*    G  24           H1*        G  24   4.645   5.995  -5.398
  265    H8     G  24           H8         G  24   4.241   9.721  -6.535
  266    H1     G  24           H1         G  24   9.790   8.504  -3.641
  267   1H2     G  24          1H2         G  24   9.962   6.322  -3.179
  268   2H2     G  24          2H2         G  24   8.703   5.176  -3.578
  269   1H2*    G  24          1H2*        G  24   2.745   8.302  -5.174
  270   2H2*    G  24          2H2*        G  24   2.694   6.704  -4.397
  271   1H5*    C  25          1H5*        C  25  -1.777   3.268  -6.218
  272   2H5*    C  25          2H5*        C  25  -1.873   4.986  -6.652
  273    H4*    C  25           H4*        C  25  -4.114   4.006  -6.029
  274    H3*    C  25           H3*        C  25  -3.006   6.435  -4.889
  275    H1*    C  25           H1*        C  25  -5.176   3.685  -2.948
  276   1H4     C  25          1H4         C  25  -2.136   2.864   2.660
  277   2H4     C  25          2H4         C  25  -0.631   2.563   1.820
  278    H5     C  25           H5         C  25  -0.398   2.741  -0.578
  279    H6     C  25           H6         C  25  -1.542   3.309  -2.677
  280   1H2*    C  25          1H2*        C  25  -3.322   6.010  -2.670
  281   2H2*    C  25          2H2*        C  25  -5.071   5.985  -3.026
  282   1H5*    C  26          1H5*        C  26  -7.549   6.089  -4.296
  283   2H5*    C  26          2H5*        C  26  -8.311   7.490  -5.086
  284    H4*    C  26           H4*        C  26  -9.475   6.898  -2.956
  285    H3*    C  26           H3*        C  26  -8.384   9.543  -3.512
  286    H1*    C  26           H1*        C  26  -8.446   7.682   0.032
  287   1H4     C  26          1H4         C  26  -2.602   8.163   2.610
  288   2H4     C  26          2H4         C  26  -1.850   8.320   1.038
  289    H5     C  26           H5         C  26  -3.101   8.377  -1.026
  290    H6     C  26           H6         C  26  -5.343   8.303  -2.026
  291   1H2*    C  26          1H2*        C  26  -7.326   9.961  -1.537
  292   2H2*    C  26          2H2*        C  26  -8.909   9.786  -0.737
  293   1H5*    A  27          1H5*        A  27 -11.774   9.329  -0.310
  294   2H5*    A  27          2H5*        A  27 -13.018  10.515  -0.767
  295    H4*    A  27           H4*        A  27 -12.810  10.450   1.684
  296    H3*    A  27           H3*        A  27 -12.294  12.894   0.173
  297    H1*    A  27           H1*        A  27 -10.460  11.667   3.505
  298    H8     A  27           H8         A  27  -8.486  12.057   0.131
  299   1H6     A  27          1H6         A  27  -3.431  12.361   3.617
  300   2H6     A  27          2H6         A  27  -4.059  12.379   1.983
  301    H2     A  27           H2         A  27  -6.970  11.906   6.358
  302   1H2*    A  27          1H2*        A  27 -10.382  13.585   1.215
  303   2H2*    A  27          2H2*        A  27 -11.319  13.642   2.731
  304   1H5*    C  28          1H5*        C  28 -13.770  13.353   4.473
  305   2H5*    C  28          2H5*        C  28 -14.420  14.915   5.008
  306    H4*    C  28           H4*        C  28 -12.333  13.903   6.247
  307    H3*    C  28           H3*        C  28 -12.841  16.746   5.539
  308    H1*    C  28           H1*        C  28  -9.527  14.662   5.964
  309   1H4     C  28          1H4         C  28  -5.128  16.805   1.890
  310   2H4     C  28          2H4         C  28  -6.308  17.068   0.626
  311    H5     C  28           H5         C  28  -8.682  16.633   0.920
  312    H6     C  28           H6         C  28 -10.419  15.936   2.521
  313   1H2*    C  28          1H2*        C  28 -10.681  17.283   5.067
  314   2H2*    C  28          2H2*        C  28 -10.223  16.728   6.699
  315   1H5*    T  29          1H5*        T  29 -10.988  18.401  10.704
  316   2H5*    T  29          2H5*        T  29 -10.457  19.331   9.283
  317    H4*    T  29           H4*        T  29  -8.541  19.018  10.764
  318    H3*    T  29           H3*        T  29  -8.445  18.180   8.071
  319   1H2*    T  29          1H2*        T  29  -8.484  15.880   8.366
  320   2H2*    T  29          2H2*        T  29  -6.749  16.132   8.717
  321    H1*    T  29           H1*        T  29  -7.039  15.901  10.986
  322    H3     T  29           H3         T  29  -7.996  11.419  10.682
  323   1H5M    T  29          1H5M        T  29 -12.591  12.203  10.642
  324   2H5M    T  29          2H5M        T  29 -12.638  13.756  11.509
  325   3H5M    T  29          3H5M        T  29 -12.647  13.729   9.728
  326    H6     T  29           H6         T  29 -10.670  15.430  10.529
  327   1H5*    T  30          1H5*        T  30  -4.318  18.244   8.977
  328   2H5*    T  30          2H5*        T  30  -3.701  19.531  10.037
  329    H4*    T  30           H4*        T  30  -1.915  18.554   8.563
  330    H3*    T  30           H3*        T  30  -2.454  21.372   8.822
  331   1H2*    T  30          1H2*        T  30  -2.622  22.032   6.659
  332   2H2*    T  30          2H2*        T  30  -0.960  21.431   6.412
  333    H1*    T  30           H1*        T  30  -1.717  19.619   5.243
  334    H3     T  30           H3         T  30  -4.323  22.178   2.339
  335   1H5M    T  30          1H5M        T  30  -8.178  20.293   4.146
  336   2H5M    T  30          2H5M        T  30  -7.496  18.842   4.917
  337   3H5M    T  30          3H5M        T  30  -7.752  20.324   5.873
  338    H6     T  30           H6         T  30  -5.155  19.408   6.200
  339   1H5*    G  31          1H5*        G  31   2.960  18.720   9.778
  340   2H5*    G  31          2H5*        G  31   1.931  19.118   8.377
  341    H4*    G  31           H4*        G  31   0.816  17.563  10.738
  342    H3*    G  31           H3*        G  31   3.014  16.478   9.232
  343    H1*    G  31           H1*        G  31  -0.814  15.660   8.621
  344    H8     G  31           H8         G  31   1.138  17.439   5.694
  345    H1     G  31           H1         G  31  -4.888  15.826   4.398
  346   1H2     G  31          1H2         G  31  -5.832  14.916   6.240
  347   2H2     G  31          2H2         G  31  -4.950  14.725   7.738
  348   1H2*    G  31          1H2*        G  31   1.897  15.813   7.341
  349   2H2*    G  31          2H2*        G  31   1.185  14.561   8.386
  350   1H5*    T  32          1H5*        T  32   0.447  14.113  12.492
  351   2H5*    T  32          2H5*        T  32   1.155  12.579  13.044
  352    H4*    T  32           H4*        T  32  -1.385  12.580  13.027
  353    H3*    T  32           H3*        T  32   0.251  10.469  11.849
  354   1H2*    T  32          1H2*        T  32  -0.859  10.246   9.868
  355   2H2*    T  32          2H2*        T  32  -2.296   9.833  10.837
  356    H1*    T  32           H1*        T  32  -3.256  11.871  10.580
  357    H3     T  32           H3         T  32  -4.090  12.296   6.145
  358   1H5M    T  32          1H5M        T  32   1.317  12.477   6.751
  359   2H5M    T  32          2H5M        T  32   0.627  13.883   5.916
  360   3H5M    T  32          3H5M        T  32   0.546  12.282   5.162
  361    H6     T  32           H6         T  32  -0.028  12.419   8.740
  362   1H5*    G  33          1H5*        G  33  -3.900   9.528  13.254
  363   2H5*    G  33          2H5*        G  33  -4.091   8.040  14.219
  364    H4*    G  33           H4*        G  33  -5.981   8.466  12.610
  365    H3*    G  33           H3*        G  33  -4.481   5.977  12.707
  366    H1*    G  33           H1*        G  33  -6.032   7.760   9.515
  367    H8     G  33           H8         G  33  -2.123   7.621   9.770
  368    H1     G  33           H1         G  33  -4.421   7.976   3.835
  369   1H2     G  33          1H2         G  33  -6.668   7.918   3.884
  370   2H2     G  33          2H2         G  33  -7.565   7.803   5.381
  371   1H2*    G  33          1H2*        G  33  -4.017   5.756  10.471
  372   2H2*    G  33          2H2*        G  33  -5.776   5.595  10.231
  373   1H5*    G  34          1H5*        G  34  -8.239   6.515  10.546
  374   2H5*    G  34          2H5*        G  34  -9.574   5.612  11.316
  375    H4*    G  34           H4*        G  34 -10.137   6.019   8.978
  376    H3*    G  34           H3*        G  34  -9.724   3.295   9.899
  377    H1*    G  34           H1*        G  34  -8.825   4.792   6.317
  378    H8     G  34           H8         G  34  -5.932   3.633   8.693
  379    H1     G  34           H1         G  34  -4.425   3.672   2.496
  380   1H2     G  34          1H2         G  34  -6.213   4.287   1.280
  381   2H2     G  34          2H2         G  34  -7.751   4.683   2.013
  382   1H2*    G  34          1H2*        G  34  -8.363   2.541   8.232
  383   2H2*    G  34          2H2*        G  34  -9.722   2.832   7.115
  384   1H5*    T  35          1H5*        T  35 -12.414   3.844   6.019
  385   2H5*    T  35          2H5*        T  35 -13.964   3.109   6.489
  386    H4*    T  35           H4*        T  35 -13.665   2.714   4.107
  387    H3*    T  35           H3*        T  35 -13.640   0.483   5.979
  388   1H2*    T  35          1H2*        T  35 -11.939  -0.760   5.122
  389   2H2*    T  35          2H2*        T  35 -12.788  -0.790   3.561
  390    H1*    T  35           H1*        T  35 -11.477   0.826   2.635
  391    H3     T  35           H3         T  35  -7.063  -0.185   2.615
  392   1H5M    T  35          1H5M        T  35  -8.604  -0.021   7.861
  393   2H5M    T  35          2H5M        T  35  -6.974   0.531   7.417
  394   3H5M    T  35          3H5M        T  35  -7.385  -1.189   7.315
  395    H6     T  35           H6         T  35 -10.214   0.516   6.197
  396   1H5*    G  36          1H5*        G  36 -14.707  -0.294   1.684
  397   2H5*    G  36          2H5*        G  36 -16.049  -1.428   1.369
  398    H4*    G  36           H4*        G  36 -14.066  -1.714  -0.172
  399    H3*    G  36           H3*        G  36 -15.246  -3.879   1.379
  400    H1*    G  36           H1*        G  36 -11.410  -3.356   0.467
  401    H8     G  36           H8         G  36 -12.498  -3.211   4.239
  402    H1     G  36           H1         G  36  -6.316  -4.449   3.271
  403   1H2     G  36          1H2         G  36  -5.893  -4.524   1.062
  404   2H2     G  36          2H2         G  36  -7.138  -4.261  -0.138
  405   1H2*    G  36          1H2*        G  36 -13.337  -4.767   2.276
  406   2H2*    G  36          2H2*        G  36 -12.843  -5.137   0.606
  407   1H5*    C  37          1H5*        C  37 -13.015  -4.385  -2.538
  408   2H5*    C  37          2H5*        C  37 -13.784  -5.460  -3.726
  409    H4*    C  37           H4*        C  37 -11.275  -5.441  -3.916
  410    H3*    C  37           H3*        C  37 -12.877  -7.867  -3.634
  411    H1*    C  37           H1*        C  37  -9.247  -7.172  -2.100
  412   1H4     C  37          1H4         C  37  -9.250  -8.862   4.074
  413   2H4     C  37          2H4         C  37 -10.983  -8.657   4.198
  414    H5     C  37           H5         C  37 -12.379  -8.043   2.331
  415    H6     C  37           H6         C  37 -12.417  -7.496  -0.063
  416   1H2*    C  37          1H2*        C  37 -11.635  -8.963  -2.060
  417   2H2*    C  37          2H2*        C  37 -10.268  -8.892  -3.197
  418   1H5*    A  38          1H5*        A  38  -8.764  -8.026  -5.530
  419   2H5*    A  38          2H5*        A  38  -8.697  -8.946  -7.050
  420    H4*    A  38           H4*        A  38  -6.615  -9.254  -5.724
  421    H3*    A  38           H3*        A  38  -8.277 -11.484  -6.594
  422    H1*    A  38           H1*        A  38  -6.208 -11.182  -3.202
  423    H8     A  38           H8         A  38 -10.129 -11.301  -3.049
  424   1H6     A  38          1H6         A  38  -9.380 -13.163   2.768
  425   2H6     A  38          2H6         A  38 -10.545 -12.714   1.544
  426    H2     A  38           H2         A  38  -5.307 -12.724   0.914
  427   1H2*    A  38          1H2*        A  38  -8.383 -12.655  -4.630
  428   2H2*    A  38          2H2*        A  38  -6.612 -12.823  -4.738
  429   1H5*    G  39          1H5*        G  39  -4.038 -12.025  -5.296
  430   2H5*    G  39          2H5*        G  39  -3.023 -12.775  -6.561
  431    H4*    G  39           H4*        G  39  -2.159 -13.345  -4.334
  432    H3*    G  39           H3*        G  39  -3.126 -15.431  -6.115
  433    H1*    G  39           H1*        G  39  -3.379 -15.326  -2.144
  434    H8     G  39           H8         G  39  -6.680 -15.202  -4.262
  435    H1     G  39           H1         G  39  -7.448 -17.043   1.795
  436   1H2     G  39          1H2         G  39  -5.443 -17.170   2.810
  437   2H2     G  39          2H2         G  39  -3.951 -16.784   1.982
  438   1H2*    G  39          1H2*        G  39  -4.437 -16.593  -4.641
  439   2H2*    G  39          2H2*        G  39  -2.945 -16.931  -3.725
  440   1H5*    T  40          1H5*        T  40  -0.427 -16.461  -2.730
  441   2H5*    T  40          2H5*        T  40   0.978 -17.480  -3.124
  442    H4*    T  40           H4*        T  40   0.002 -18.086  -0.913
  443    H3*    T  40           H3*        T  40   0.148 -20.012  -3.161
  444   1H2*    T  40          1H2*        T  40  -1.748 -21.203  -2.626
  445   2H2*    T  40          2H2*        T  40  -1.096 -21.449  -0.981
  446    H1*    T  40           H1*        T  40  -2.308 -19.714  -0.077
  447    H3     T  40           H3         T  40  -6.645 -20.895  -0.338
  448   1H5M    T  40          1H5M        T  40  -5.227 -20.137  -5.441
  449   2H5M    T  40          2H5M        T  40  -6.002 -18.626  -4.929
  450   3H5M    T  40          3H5M        T  40  -6.930 -20.137  -4.930
  451    H6     T  40           H6         T  40  -3.471 -19.448  -3.664
  452   1H5*    G  41          1H5*        G  41   0.701 -21.549   1.177
  453   2H5*    G  41          2H5*        G  41   1.934 -22.840   1.254
  454    H4*    G  41           H4*        G  41  -0.017 -23.355   2.684
  455    H3*    G  41           H3*        G  41   0.576 -25.075   0.326
  456    H1*    G  41           H1*        G  41  -2.862 -24.270   2.162
  457    H8     G  41           H8         G  41  -2.232 -23.559  -1.636
  458    H1     G  41           H1         G  41  -8.327 -24.554  -0.059
  459   1H2     G  41          1H2         G  41  -8.468 -25.092   2.121
  460   2H2     G  41          2H2         G  41  -7.056 -25.184   3.151
  461   1H2*    G  41          1H2*        G  41  -1.556 -25.809  -0.015
  462   2H2*    G  41          2H2*        G  41  -1.716 -26.189   1.719
  463   1H5*    C  42          1H5*        C  42  -0.982 -26.531   4.230
  464   2H5*    C  42          2H5*        C  42  -0.166 -27.971   4.885
  465    H4*    C  42           H4*        C  42  -2.582 -27.988   5.445
  466    H3*    C  42           H3*        C  42  -1.400 -30.122   3.734
  467    H1*    C  42           H1*        C  42  -5.119 -28.658   3.689
  468   1H4     C  42          1H4         C  42  -6.380 -28.818  -2.586
  469   2H4     C  42          2H4         C  42  -4.688 -28.645  -2.994
  470    H5     C  42           H5         C  42  -2.933 -28.530  -1.340
  471    H6     C  42           H6         C  42  -2.419 -28.578   1.062
  472   1H2*    C  42          1H2*        C  42  -3.327 -30.769   2.710
  473   2H2*    C  42          2H2*        C  42  -4.218 -30.677   4.253
  474   1HN1  NCO  43          1HN1      NCO  43   5.091  11.239   0.326
  475   2HN1  NCO  43          2HN1      NCO  43   3.978  12.407   0.418
  476   3HN1  NCO  43          3HN1      NCO  43   5.283  12.452   1.379
  477   1HN2  NCO  43          1HN2      NCO  43   2.441   8.809   3.501
  478   2HN2  NCO  43          2HN2      NCO  43   3.006   9.796   4.654
  479   3HN2  NCO  43          3HN2      NCO  43   1.637  10.165   3.879
  480   1HN3  NCO  43          1HN3      NCO  43   5.069  10.420   4.433
  481   2HN3  NCO  43          2HN3      NCO  43   6.020  10.718   3.159
  482   3HN3  NCO  43          3HN3      NCO  43   5.279  11.943   3.918
  483   1HN4  NCO  43          1HN4      NCO  43   1.828  12.581   2.871
  484   2HN4  NCO  43          2HN4      NCO  43   2.905  12.560   4.075
  485   3HN4  NCO  43          3HN4      NCO  43   3.260  13.316   2.687
  486   1HN5  NCO  43          1HN5      NCO  43   1.527  11.432   0.987
  487   2HN5  NCO  43          2HN5      NCO  43   2.395  10.353   0.153
  488   3HN5  NCO  43          3HN5      NCO  43   1.432   9.856   1.358
  489   1HN6  NCO  43          1HN6      NCO  43   3.696   8.496   1.237
  490   2HN6  NCO  43          2HN6      NCO  43   5.135   9.215   1.059
  491   3HN6  NCO  43          3HN6      NCO  43   4.753   8.521   2.465
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1 -10.787 -31.092  -5.333
    2   2H5*    G   1          2H5*        G   1 -12.053 -29.833  -5.306
    3    H4*    G   1           H4*        G   1 -11.692 -30.618  -3.028
    4    H3*    G   1           H3*        G   1 -10.904 -27.896  -3.743
    5    H1*    G   1           H1*        G   1  -8.841 -30.283  -1.217
    6    H8     G   1           H8         G   1  -7.660 -29.826  -4.830
    7    H1     G   1           H1         G   1  -3.070 -28.651  -0.553
    8   1H2     G   1          1H2         G   1  -3.944 -28.657   1.520
    9   2H2     G   1          2H2         G   1  -5.643 -28.948   1.819
   10   1H2*    G   1          1H2*        G   1  -8.998 -27.677  -2.537
   11   2H2*    G   1          2H2*        G   1  -9.858 -28.242  -1.081
   12   1H5*    C   2          1H5*        C   2 -11.789 -28.416   0.682
   13   2H5*    C   2          2H5*        C   2 -12.920 -27.170   1.261
   14    H4*    C   2           H4*        C   2 -10.984 -27.555   2.832
   15    H3*    C   2           H3*        C   2 -11.708 -24.923   1.711
   16    H1*    C   2           H1*        C   2  -7.992 -26.240   2.497
   17   1H4     C   2          1H4         C   2  -4.803 -24.060  -2.599
   18   2H4     C   2          2H4         C   2  -6.206 -24.234  -3.630
   19    H5     C   2           H5         C   2  -8.368 -24.943  -2.811
   20    H6     C   2           H6         C   2  -9.638 -25.663  -0.834
   21   1H2*    C   2          1H2*        C   2  -9.641 -23.998   1.582
   22   2H2*    C   2          2H2*        C   2  -9.282 -24.527   3.246
   23   1H5*    A   3          1H5*        A   3  -9.724 -25.119   5.825
   24   2H5*    A   3          2H5*        A   3 -10.459 -23.998   6.996
   25    H4*    A   3           H4*        A   3  -7.959 -23.998   7.133
   26    H3*    A   3           H3*        A   3  -9.539 -21.559   6.563
   27    H1*    A   3           H1*        A   3  -5.870 -22.470   5.223
   28    H8     A   3           H8         A   3  -9.065 -21.976   3.040
   29   1H6     A   3          1H6         A   3  -5.236 -20.070  -1.394
   30   2H6     A   3          2H6         A   3  -6.897 -20.450  -0.999
   31    H2     A   3           H2         A   3  -2.805 -20.831   2.308
   32   1H2*    A   3          1H2*        A   3  -7.993 -20.442   5.329
   33   2H2*    A   3          2H2*        A   3  -6.732 -20.820   6.531
   34   1H5*    C   4          1H5*        C   4  -5.624 -21.099   8.962
   35   2H5*    C   4          2H5*        C   4  -5.836 -19.951  10.305
   36    H4*    C   4           H4*        C   4  -3.675 -19.592   9.095
   37    H3*    C   4           H3*        C   4  -5.749 -17.471   9.312
   38    H1*    C   4           H1*        C   4  -3.138 -18.085   6.347
   39   1H4     C   4          1H4         C   4  -6.658 -16.746   1.185
   40   2H4     C   4          2H4         C   4  -8.137 -17.219   1.990
   41    H5     C   4           H5         C   4  -8.220 -17.912   4.304
   42    H6     C   4           H6         C   4  -6.900 -18.300   6.339
   43   1H2*    C   4          1H2*        C   4  -5.185 -16.302   7.451
   44   2H2*    C   4          2H2*        C   4  -3.457 -16.419   7.852
   45   1H5*    T   5          1H5*        T   5  -1.322 -16.376   9.347
   46   2H5*    T   5          2H5*        T   5  -0.958 -15.198  10.629
   47    H4*    T   5           H4*        T   5   0.315 -14.698   8.545
   48    H3*    T   5           H3*        T   5  -1.421 -12.770   9.860
   49   1H2*    T   5          1H2*        T   5  -2.556 -11.969   8.049
   50   2H2*    T   5          2H2*        T   5  -0.975 -11.427   7.426
   51    H1*    T   5           H1*        T   5  -0.782 -13.145   5.959
   52    H3     T   5           H3         T   5  -4.127 -12.741   2.951
   53   1H5M    T   5          1H5M        T   5  -6.459 -14.007   7.718
   54   2H5M    T   5          2H5M        T   5  -7.014 -14.901   6.286
   55   3H5M    T   5          3H5M        T   5  -7.357 -13.169   6.435
   56    H6     T   5           H6         T   5  -4.081 -13.917   7.622
   57   1H5*    G   6          1H5*        G   6   2.101 -11.147   7.514
   58   2H5*    G   6          2H5*        G   6   3.108  -9.977   8.410
   59    H4*    G   6           H4*        G   6   2.927  -9.359   6.021
   60    H3*    G   6           H3*        G   6   1.972  -7.581   8.125
   61    H1*    G   6           H1*        G   6   0.415  -8.092   4.483
   62    H8     G   6           H8         G   6  -1.640  -9.012   7.693
   63    H1     G   6           H1         G   6  -5.160  -8.212   2.446
   64   1H2     G   6          1H2         G   6  -3.852  -7.637   0.718
   65   2H2     G   6          2H2         G   6  -2.118  -7.464   0.874
   66   1H2*    G   6          1H2*        G   6  -0.042  -6.983   7.222
   67   2H2*    G   6          2H2*        G   6   0.864  -6.312   5.844
   68   1H5*    C   7          1H5*        C   7   3.000  -6.136   4.067
   69   2H5*    C   7          2H5*        C   7   4.221  -4.843   4.028
   70    H4*    C   7           H4*        C   7   2.680  -4.605   2.117
   71    H3*    C   7           H3*        C   7   3.010  -2.499   4.104
   72    H1*    C   7           H1*        C   7  -0.337  -3.486   2.153
   73   1H4     C   7          1H4         C   7  -5.167  -4.122   6.312
   74   2H4     C   7          2H4         C   7  -4.070  -4.332   7.659
   75    H5     C   7           H5         C   7  -1.672  -4.243   7.437
   76    H6     C   7           H6         C   7   0.195  -3.934   5.878
   77   1H2*    C   7          1H2*        C   7   0.817  -1.943   4.443
   78   2H2*    C   7          2H2*        C   7   0.736  -1.537   2.710
   79   1H5*    A   8          1H5*        A   8   2.121  -1.628  -0.340
   80   2H5*    A   8          2H5*        A   8   3.220  -0.391  -0.996
   81    H4*    A   8           H4*        A   8   1.082  -0.223  -2.171
   82    H3*    A   8           H3*        A   8   2.015   1.975  -0.493
   83    H1*    A   8           H1*        A   8  -1.785   0.827  -1.072
   84    H8     A   8           H8         A   8   0.124   0.954   2.337
   85   1H6     A   8          1H6         A   8  -5.304   0.363   5.058
   86   2H6     A   8          2H6         A   8  -3.576   0.531   5.280
   87    H2     A   8           H2         A   8  -6.020   0.394   0.609
   88   1H2*    A   8          1H2*        A   8   0.066   2.610   0.429
   89   2H2*    A   8          2H2*        A   8  -0.602   2.790  -1.208
   90   1H5*    T   9          1H5*        T   9   4.078   2.916  -5.416
   91   2H5*    T   9          2H5*        T   9   3.898   1.250  -5.989
   92    H4*    T   9           H4*        T   9   6.077   0.948  -5.409
   93    H3*    T   9           H3*        T   9   4.677   0.776  -2.844
   94   1H2*    T   9          1H2*        T   9   6.022   2.054  -1.587
   95   2H2*    T   9          2H2*        T   9   7.397   1.038  -2.082
   96    H1*    T   9           H1*        T   9   8.147   2.524  -3.588
   97    H3     T   9           H3         T   9   8.961   6.053  -0.799
   98   1H5M    T   9          1H5M        T   9   3.695   6.242  -1.786
   99   2H5M    T   9          2H5M        T   9   4.485   7.473  -2.792
  100   3H5M    T   9          3H5M        T   9   4.577   7.585  -1.027
  101    H6     T   9           H6         T   9   5.047   4.565  -3.164
  102   1H5*    C  10          1H5*        C  10   8.813  -0.825  -3.306
  103   2H5*    C  10          2H5*        C  10   9.054  -2.498  -2.751
  104    H4*    C  10           H4*        C  10  11.022  -0.982  -2.246
  105    H3*    C  10           H3*        C  10   9.691  -2.699  -0.305
  106    H1*    C  10           H1*        C  10  11.149   0.970   0.394
  107   1H4     C  10          1H4         C  10   6.557   4.337   3.356
  108   2H4     C  10          2H4         C  10   5.297   3.372   2.622
  109    H5     C  10           H5         C  10   5.745   1.522   1.121
  110    H6     C  10           H6         C  10   7.492   0.108   0.154
  111   1H2*    C  10          1H2*        C  10   9.425  -1.234   1.423
  112   2H2*    C  10          2H2*        C  10  11.199  -1.062   1.438
  113   1H5*    C  11          1H5*        C  11  14.381  -1.981   0.781
  114   2H5*    C  11          2H5*        C  11  14.914  -3.131   2.022
  115    H4*    C  11           H4*        C  11  15.060  -0.509   2.457
  116    H3*    C  11           H3*        C  11  14.463  -2.692   4.384
  117    H1*    C  11           H1*        C  11  13.107   1.047   4.240
  118   1H4     C  11          1H4         C  11   7.008   0.795   6.088
  119   2H4     C  11          2H4         C  11   6.786  -0.802   5.409
  120    H5     C  11           H5         C  11   8.570  -2.035   4.318
  121    H6     C  11           H6         C  11  10.955  -2.017   3.716
  122   1H2*    C  11          1H2*        C  11  12.980  -1.554   5.670
  123   2H2*    C  11          2H2*        C  11  14.144  -0.214   5.829
  124   1H5*    T  12          1H5*        T  12  17.687   0.151   8.131
  125   2H5*    T  12          2H5*        T  12  16.455  -0.856   8.930
  126    H4*    T  12           H4*        T  12  16.344   1.445   9.851
  127    H3*    T  12           H3*        T  12  14.079   0.226   8.518
  128   1H2*    T  12          1H2*        T  12  13.430   1.974   7.199
  129   2H2*    T  12          2H2*        T  12  13.189   2.915   8.696
  130    H1*    T  12           H1*        T  12  15.152   4.077   8.424
  131    H3     T  12           H3         T  12  13.822   6.059   4.496
  132   1H5M    T  12          1H5M        T  12  16.268   2.992   1.963
  133   2H5M    T  12          2H5M        T  12  17.645   2.894   3.085
  134   3H5M    T  12          3H5M        T  12  16.421   1.601   3.058
  135    H6     T  12           H6         T  12  16.364   2.111   5.601
  136   1H5*    T  13          1H5*        T  13  11.226   4.051  10.094
  137   2H5*    T  13          2H5*        T  13  11.721   3.415  11.670
  138    H4*    T  13           H4*        T  13   9.218   4.102  11.378
  139    H3*    T  13           H3*        T  13  10.280   1.714  12.751
  140   1H2*    T  13          1H2*        T  13   8.747   0.197  12.117
  141   2H2*    T  13          2H2*        T  13   7.453   1.287  12.677
  142    H1*    T  13           H1*        T  13   6.933   1.894  10.536
  143    H3     T  13           H3         T  13   6.192  -2.209   8.660
  144   1H5M    T  13          1H5M        T  13  10.574  -2.434   7.039
  145   2H5M    T  13          2H5M        T  13  11.215  -0.815   7.390
  146   3H5M    T  13          3H5M        T  13  11.343  -2.102   8.610
  147    H6     T  13           H6         T  13  10.125   0.499   9.305
  148   1H5*    G  14          1H5*        G  14   8.837   7.106  14.948
  149   2H5*    G  14          2H5*        G  14   7.229   7.222  14.192
  150    H4*    G  14           H4*        G  14   9.993   7.662  13.077
  151    H3*    G  14           H3*        G  14   7.574   9.171  13.030
  152    H1*    G  14           H1*        G  14   9.164   7.388   9.894
  153    H8     G  14           H8         G  14   5.497   6.261  10.656
  154    H1     G  14           H1         G  14   8.649   2.532   6.564
  155   1H2     G  14          1H2         G  14  10.794   3.221   6.423
  156   2H2     G  14          2H2         G  14  11.389   4.591   7.332
  157   1H2*    G  14          1H2*        G  14   6.567   8.186  11.196
  158   2H2*    G  14          2H2*        G  14   7.734   9.158  10.264
  159   1H5*    G  15          1H5*        G  15  11.614  10.002  11.064
  160   2H5*    G  15          2H5*        G  15  12.043  11.694  10.698
  161    H4*    G  15           H4*        G  15  13.257  10.032   9.269
  162    H3*    G  15           H3*        G  15  11.632  12.190   8.158
  163    H1*    G  15           H1*        G  15  12.182   8.518   6.700
  164    H8     G  15           H8         G  15   8.602   9.727   7.730
  165    H1     G  15           H1         G  15   8.675   4.682   3.823
  166   1H2     G  15          1H2         G  15  10.788   4.127   3.331
  167   2H2     G  15          2H2         G  15  12.159   4.998   3.976
  168   1H2*    G  15          1H2*        G  15  10.517  11.002   6.548
  169   2H2*    G  15          2H2*        G  15  12.104  10.634   5.839
  170   1H5*    A  16          1H5*        A  16  15.479  10.566   6.557
  171   2H5*    A  16          2H5*        A  16  16.655  11.534   5.642
  172    H4*    A  16           H4*        A  16  16.474   9.105   4.894
  173    H3*    A  16           H3*        A  16  16.465  11.423   3.138
  174    H1*    A  16           H1*        A  16  14.391   8.060   2.698
  175    H8     A  16           H8         A  16  12.409  11.323   3.502
  176   1H6     A  16          1H6         A  16   7.687   8.665   0.652
  177   2H6     A  16          2H6         A  16   8.228  10.064   1.553
  178    H2     A  16           H2         A  16  11.228   5.875   0.383
  179   1H2*    A  16          1H2*        A  16  14.594  10.943   1.913
  180   2H2*    A  16          2H2*        A  16  15.480   9.525   1.313
  181   1H5*    C  17          1H5*        C  17  16.695   7.293   2.023
  182   2H5*    C  17          2H5*        C  17  18.206   6.795   1.238
  183    H4*    C  17           H4*        C  17  16.405   5.246   0.618
  184    H3*    C  17           H3*        C  17  17.866   6.780  -1.377
  185    H1*    C  17           H1*        C  17  14.062   5.628  -1.469
  186   1H4     C  17          1H4         C  17  10.230  10.444  -3.257
  187   2H4     C  17          2H4         C  17  11.311  11.638  -2.577
  188    H5     C  17           H5         C  17  13.421  11.080  -1.558
  189    H6     C  17           H6         C  17  14.939   9.261  -0.937
  190   1H2*    C  17          1H2*        C  17  16.096   7.479  -2.661
  191   2H2*    C  17          2H2*        C  17  15.783   5.752  -2.986
  192   1H5*    G  18          1H5*        G  18  16.098   2.930  -2.933
  193   2H5*    G  18          2H5*        G  18  17.331   1.849  -3.651
  194    H4*    G  18           H4*        G  18  15.306   1.790  -5.021
  195    H3*    G  18           H3*        G  18  17.783   2.829  -6.127
  196    H1*    G  18           H1*        G  18  14.089   4.029  -6.887
  197    H8     G  18           H8         G  18  16.520   6.671  -5.266
  198    H1     G  18           H1         G  18  11.091   9.042  -7.629
  199   1H2     G  18          1H2         G  18   9.819   7.372  -8.432
  200   2H2     G  18          2H2         G  18  10.328   5.700  -8.371
  201   1H2*    G  18          1H2*        G  18  16.992   4.830  -6.926
  202   2H2*    G  18          2H2*        G  18  16.048   3.857  -8.078
  203   1H5*    C  19          1H5*        C  19  18.262   1.932 -10.698
  204   2H5*    C  19          2H5*        C  19  17.866   2.790  -9.211
  205    H4*    C  19           H4*        C  19  15.632   1.090  -9.720
  206    H3*    C  19           H3*        C  19  16.733   1.572 -12.279
  207    H1*    C  19           H1*        C  19  13.883   3.845 -10.710
  208   1H4     C  19          1H4         C  19  15.504  10.033 -10.741
  209   2H4     C  19          2H4         C  19  17.142   9.670 -10.242
  210    H5     C  19           H5         C  19  17.955   7.417  -9.914
  211    H6     C  19           H6         C  19  17.379   5.035 -10.035
  212   1H2*    C  19          1H2*        C  19  16.336   3.852 -12.449
  213   2H2*    C  19          2H2*        C  19  14.674   3.314 -12.819
  214   1H5*    T  20          1H5*        T  20  12.320   0.974 -15.491
  215   2H5*    T  20          2H5*        T  20  13.617   2.113 -15.915
  216    H4*    T  20           H4*        T  20  11.415   3.067 -16.424
  217    H3*    T  20           H3*        T  20  13.356   4.448 -14.926
  218   1H2*    T  20          1H2*        T  20  12.441   4.441 -12.812
  219   2H2*    T  20          2H2*        T  20  11.358   5.693 -13.475
  220    H1*    T  20           H1*        T  20   9.579   4.282 -13.516
  221    H3     T  20           H3         T  20   9.778   3.494  -8.966
  222   1H5M    T  20          1H5M        T  20  11.414  -0.808  -9.685
  223   2H5M    T  20          2H5M        T  20  10.729  -1.104 -11.300
  224   3H5M    T  20          3H5M        T  20  12.415  -0.553 -11.133
  225    H6     T  20           H6         T  20  11.251   1.125 -12.900
  226   1H5*    T  21          1H5*        T  21  11.589   7.859 -14.959
  227   2H5*    T  21          2H5*        T  21  10.871   8.379 -16.502
  228    H4*    T  21           H4*        T  21  11.459  10.325 -15.012
  229    H3*    T  21           H3*        T  21  12.145  10.129 -17.772
  230   1H2*    T  21          1H2*        T  21  14.431  10.121 -17.676
  231   2H2*    T  21          2H2*        T  21  14.267  11.835 -17.198
  232    H1*    T  21           H1*        T  21  14.778  11.385 -15.005
  233    H3     T  21           H3         T  21  19.006   9.829 -15.862
  234   1H5M    T  21          1H5M        T  21  17.581   5.389 -15.760
  235   2H5M    T  21          2H5M        T  21  16.306   5.579 -14.533
  236   3H5M    T  21          3H5M        T  21  15.881   5.534 -16.263
  237    H6     T  21           H6         T  21  14.674   7.742 -15.460
  238   1H5*    G  22          1H5*        G  22   8.394  14.252 -16.729
  239   2H5*    G  22          2H5*        G  22   8.934  14.955 -15.188
  240    H4*    G  22           H4*        G  22   6.856  12.935 -15.774
  241    H3*    G  22           H3*        G  22   7.348  14.898 -13.700
  242    H1*    G  22           H1*        G  22   7.890  10.982 -12.740
  243    H8     G  22           H8         G  22  10.034  14.251 -12.853
  244    H1     G  22           H1         G  22  13.288   9.022 -11.234
  245   1H2     G  22          1H2         G  22  11.960   7.215 -11.400
  246   2H2     G  22          2H2         G  22  10.290   7.330 -11.906
  247   1H2*    G  22          1H2*        G  22   7.797  13.677 -11.849
  248   2H2*    G  22          2H2*        G  22   6.407  12.619 -12.185
  249   1H5*    C  23          1H5*        C  23   5.597   9.996 -13.806
  250   2H5*    C  23          2H5*        C  23   3.826  10.023 -13.670
  251    H4*    C  23           H4*        C  23   4.621   8.441 -12.041
  252    H3*    C  23           H3*        C  23   3.377  10.906 -11.048
  253    H1*    C  23           H1*        C  23   6.173   8.628  -9.481
  254   1H4     C  23          1H4         C  23  11.506  11.428  -7.410
  255   2H4     C  23          2H4         C  23  10.919  13.031  -7.794
  256    H5     C  23           H5         C  23   8.789  13.435  -8.860
  257    H6     C  23           H6         C  23   6.772  12.400  -9.776
  258   1H2*    C  23          1H2*        C  23   4.893  11.361  -9.384
  259   2H2*    C  23          2H2*        C  23   4.396   9.825  -8.634
  260   1H5*    G  24          1H5*        G  24   2.564   6.580  -9.414
  261   2H5*    G  24          2H5*        G  24   0.912   6.383  -8.764
  262    H4*    G  24           H4*        G  24   2.500   4.874  -7.620
  263    H3*    G  24           H3*        G  24   1.129   6.998  -6.144
  264    H1*    G  24           H1*        G  24   4.782   5.476  -5.511
  265    H8     G  24           H8         G  24   3.940   9.244  -6.027
  266    H1     G  24           H1         G  24   9.894   8.291  -3.989
  267   1H2     G  24          1H2         G  24  10.348   6.111  -3.874
  268   2H2     G  24          2H2         G  24   9.175   4.885  -4.297
  269   1H2*    G  24          1H2*        G  24   2.777   7.552  -4.704
  270   2H2*    G  24          2H2*        G  24   2.898   5.843  -4.220
  271   1H5*    C  25          1H5*        C  25  -2.289   7.745  -5.403
  272   2H5*    C  25          2H5*        C  25  -1.653   7.229  -3.824
  273    H4*    C  25           H4*        C  25  -3.739   5.635  -5.390
  274    H3*    C  25           H3*        C  25  -4.182   8.082  -3.877
  275    H1*    C  25           H1*        C  25  -4.894   4.355  -2.601
  276   1H4     C  25          1H4         C  25  -2.749   4.581   3.499
  277   2H4     C  25          2H4         C  25  -1.118   4.756   2.890
  278    H5     C  25           H5         C  25  -0.601   5.018   0.542
  279    H6     C  25           H6         C  25  -1.530   5.183  -1.722
  280   1H2*    C  25          1H2*        C  25  -4.531   7.212  -1.815
  281   2H2*    C  25          2H2*        C  25  -5.966   6.402  -2.498
  282   1H5*    C  26          1H5*        C  26  -8.558   6.538  -4.419
  283   2H5*    C  26          2H5*        C  26  -9.398   7.818  -5.325
  284    H4*    C  26           H4*        C  26 -10.679   7.114  -3.289
  285    H3*    C  26           H3*        C  26  -9.923   9.872  -3.855
  286    H1*    C  26           H1*        C  26 -10.070   8.120  -0.260
  287   1H4     C  26          1H4         C  26  -4.672   9.539   2.873
  288   2H4     C  26          2H4         C  26  -3.788   9.775   1.382
  289    H5     C  26           H5         C  26  -4.807   9.600  -0.799
  290    H6     C  26           H6         C  26  -6.880   9.115  -2.023
  291   1H2*    C  26          1H2*        C  26  -9.118  10.488  -1.811
  292   2H2*    C  26          2H2*        C  26 -10.731  10.121  -1.149
  293   1H5*    A  27          1H5*        A  27 -13.425   9.146  -0.952
  294   2H5*    A  27          2H5*        A  27 -14.833  10.112  -1.453
  295    H4*    A  27           H4*        A  27 -14.732  10.017   1.004
  296    H3*    A  27           H3*        A  27 -14.582  12.561  -0.429
  297    H1*    A  27           H1*        A  27 -12.776  11.552   2.978
  298    H8     A  27           H8         A  27 -10.632  12.430  -0.196
  299   1H6     A  27          1H6         A  27  -6.075  13.606   3.770
  300   2H6     A  27          2H6         A  27  -6.542  13.573   2.084
  301    H2     A  27           H2         A  27  -9.676  12.327   6.139
  302   1H2*    A  27          1H2*        A  27 -12.869  13.531   0.737
  303   2H2*    A  27          2H2*        A  27 -13.886  13.391   2.194
  304   1H5*    C  28          1H5*        C  28 -16.184  12.457   3.794
  305   2H5*    C  28          2H5*        C  28 -17.229  13.757   4.402
  306    H4*    C  28           H4*        C  28 -15.080  13.161   5.758
  307    H3*    C  28           H3*        C  28 -16.131  15.877   5.164
  308    H1*    C  28           H1*        C  28 -12.505  14.499   5.811
  309   1H4     C  28          1H4         C  28  -8.246  17.747   2.369
  310   2H4     C  28          2H4         C  28  -9.314  17.844   0.986
  311    H5     C  28           H5         C  28 -11.565  16.916   0.982
  312    H6     C  28           H6         C  28 -13.281  15.788   2.344
  313   1H2*    C  28          1H2*        C  28 -14.100  16.879   4.897
  314   2H2*    C  28          2H2*        C  28 -13.674  16.347   6.545
  315   1H5*    T  29          1H5*        T  29 -15.150  17.533  10.575
  316   2H5*    T  29          2H5*        T  29 -14.777  18.659   9.250
  317    H4*    T  29           H4*        T  29 -12.942  18.747  10.851
  318    H3*    T  29           H3*        T  29 -12.459  18.084   8.148
  319   1H2*    T  29          1H2*        T  29 -11.964  15.828   8.388
  320   2H2*    T  29          2H2*        T  29 -10.365  16.485   8.850
  321    H1*    T  29           H1*        T  29 -10.711  16.129  11.091
  322    H3     T  29           H3         T  29 -10.398  11.571  10.632
  323   1H5M    T  29          1H5M        T  29 -15.024  11.087  10.348
  324   2H5M    T  29          2H5M        T  29 -15.544  12.556  11.205
  325   3H5M    T  29          3H5M        T  29 -15.433  12.553   9.427
  326    H6     T  29           H6         T  29 -14.049  14.714  10.404
  327   1H5*    T  30          1H5*        T  30  -8.552  19.065   9.243
  328   2H5*    T  30          2H5*        T  30  -8.232  20.496  10.249
  329    H4*    T  30           H4*        T  30  -6.276  19.918   8.788
  330    H3*    T  30           H3*        T  30  -7.412  22.529   8.989
  331   1H2*    T  30          1H2*        T  30  -8.073  22.912   6.833
  332   2H2*    T  30          2H2*        T  30  -6.328  22.968   6.456
  333    H1*    T  30           H1*        T  30  -6.372  20.901   5.452
  334    H3     T  30           H3         T  30  -9.449  22.229   2.261
  335   1H5M    T  30          1H5M        T  30 -12.812  19.799   4.380
  336   2H5M    T  30          2H5M        T  30 -11.843  18.685   5.372
  337   3H5M    T  30          3H5M        T  30 -12.444  20.209   6.072
  338    H6     T  30           H6         T  30  -9.707  19.923   6.491
  339   1H5*    G  31          1H5*        G  31  -2.513  21.223  11.613
  340   2H5*    G  31          2H5*        G  31  -1.489  20.668  10.268
  341    H4*    G  31           H4*        G  31  -3.636  19.280  11.812
  342    H3*    G  31           H3*        G  31  -1.103  18.499  10.765
  343    H1*    G  31           H1*        G  31  -4.570  17.115   9.498
  344    H8     G  31           H8         G  31  -2.608  19.289   6.854
  345    H1     G  31           H1         G  31  -8.070  16.703   4.821
  346   1H2     G  31          1H2         G  31  -9.037  15.576   6.530
  347   2H2     G  31          2H2         G  31  -8.307  15.491   8.117
  348   1H2*    G  31          1H2*        G  31  -1.776  17.851   8.642
  349   2H2*    G  31          2H2*        G  31  -2.372  16.402   9.493
  350   1H5*    T  32          1H5*        T  32  -4.121  15.720  13.156
  351   2H5*    T  32          2H5*        T  32  -3.290  14.398  14.004
  352    H4*    T  32           H4*        T  32  -5.622  13.728  13.429
  353    H3*    T  32           H3*        T  32  -3.331  12.161  12.557
  354   1H2*    T  32          1H2*        T  32  -3.976  11.801  10.394
  355   2H2*    T  32          2H2*        T  32  -5.414  11.001  11.072
  356    H1*    T  32           H1*        T  32  -6.786  12.747  10.674
  357    H3     T  32           H3         T  32  -6.933  13.288   6.179
  358   1H5M    T  32          1H5M        T  32  -1.872  14.514   7.717
  359   2H5M    T  32          2H5M        T  32  -2.701  15.874   6.936
  360   3H5M    T  32          3H5M        T  32  -2.346  14.406   6.008
  361    H6     T  32           H6         T  32  -3.503  14.109   9.460
  362   1H5*    G  33          1H5*        G  33  -7.330  10.341  13.352
  363   2H5*    G  33          2H5*        G  33  -7.401   8.821  14.286
  364    H4*    G  33           H4*        G  33  -9.117   8.961  12.455
  365    H3*    G  33           H3*        G  33  -7.230   6.762  12.717
  366    H1*    G  33           H1*        G  33  -8.706   8.338   9.393
  367    H8     G  33           H8         G  33  -4.878   8.895  10.032
  368    H1     G  33           H1         G  33  -6.607   8.934   3.897
  369   1H2     G  33          1H2         G  33  -8.798   8.472   3.719
  370   2H2     G  33          2H2         G  33  -9.804   8.169   5.117
  371   1H2*    G  33          1H2*        G  33  -6.478   6.690  10.550
  372   2H2*    G  33          2H2*        G  33  -8.142   6.226  10.106
  373   1H5*    G  34          1H5*        G  34 -10.769   6.489  10.075
  374   2H5*    G  34          2H5*        G  34 -11.952   5.342  10.767
  375    H4*    G  34           H4*        G  34 -12.316   5.466   8.365
  376    H3*    G  34           H3*        G  34 -11.391   2.987   9.535
  377    H1*    G  34           H1*        G  34 -10.380   4.435   5.967
  378    H8     G  34           H8         G  34  -7.662   4.148   8.774
  379    H1     G  34           H1         G  34  -5.310   4.614   2.862
  380   1H2     G  34          1H2         G  34  -6.992   4.705   1.374
  381   2H2     G  34          2H2         G  34  -8.673   4.657   1.856
  382   1H2*    G  34          1H2*        G  34  -9.643   2.542   8.147
  383   2H2*    G  34          2H2*        G  34 -10.849   2.375   6.850
  384   1H5*    T  35          1H5*        T  35 -14.009   2.606   5.446
  385   2H5*    T  35          2H5*        T  35 -15.171   1.297   5.763
  386    H4*    T  35           H4*        T  35 -14.336   1.280   3.384
  387    H3*    T  35           H3*        T  35 -14.184  -0.988   5.205
  388   1H2*    T  35          1H2*        T  35 -12.103  -1.780   4.708
  389   2H2*    T  35          2H2*        T  35 -12.577  -1.879   2.998
  390    H1*    T  35           H1*        T  35 -11.476   0.063   2.429
  391    H3     T  35           H3         T  35  -7.081  -0.172   3.507
  392   1H5M    T  35          1H5M        T  35  -9.840   0.022   8.219
  393   2H5M    T  35          2H5M        T  35  -8.130   0.499   8.116
  394   3H5M    T  35          3H5M        T  35  -8.578  -1.217   8.074
  395    H6     T  35           H6         T  35 -11.088  -0.071   6.187
  396   1H5*    G  36          1H5*        G  36 -14.131  -1.592   0.788
  397   2H5*    G  36          2H5*        G  36 -15.025  -2.971   0.092
  398    H4*    G  36           H4*        G  36 -12.757  -2.553  -0.953
  399    H3*    G  36           H3*        G  36 -13.617  -5.130   0.108
  400    H1*    G  36           H1*        G  36  -9.956  -3.570   0.154
  401    H8     G  36           H8         G  36 -11.799  -4.214   3.561
  402    H1     G  36           H1         G  36  -5.445  -3.829   3.987
  403   1H2     G  36          1H2         G  36  -4.561  -3.502   1.947
  404   2H2     G  36          2H2         G  36  -5.548  -3.377   0.509
  405   1H2*    G  36          1H2*        G  36 -11.755  -5.656   1.331
  406   2H2*    G  36          2H2*        G  36 -10.859  -5.645  -0.210
  407   1H5*    C  37          1H5*        C  37 -10.622  -4.684  -3.372
  408   2H5*    C  37          2H5*        C  37 -10.987  -5.766  -4.735
  409    H4*    C  37           H4*        C  37  -8.529  -5.296  -4.523
  410    H3*    C  37           H3*        C  37  -9.669  -7.981  -4.614
  411    H1*    C  37           H1*        C  37  -6.512  -6.782  -2.458
  412   1H4     C  37          1H4         C  37  -7.279  -8.869   3.549
  413   2H4     C  37          2H4         C  37  -9.011  -9.007   3.351
  414    H5     C  37           H5         C  37 -10.144  -8.535   1.277
  415    H6     C  37           H6         C  37  -9.869  -7.813  -1.051
  416   1H2*    C  37          1H2*        C  37  -8.500  -8.962  -2.915
  417   2H2*    C  37          2H2*        C  37  -7.011  -8.558  -3.805
  418   1H5*    A  38          1H5*        A  38  -5.284  -7.423  -5.983
  419   2H5*    A  38          2H5*        A  38  -4.927  -8.330  -7.471
  420    H4*    A  38           H4*        A  38  -3.025  -8.411  -5.847
  421    H3*    A  38           H3*        A  38  -4.265 -10.786  -6.992
  422    H1*    A  38           H1*        A  38  -2.778 -10.363  -3.317
  423    H8     A  38           H8         A  38  -6.620 -11.018  -3.805
  424   1H6     A  38          1H6         A  38  -6.596 -12.777   2.091
  425   2H6     A  38          2H6         A  38  -7.588 -12.511   0.675
  426    H2     A  38           H2         A  38  -2.381 -11.699   0.948
  427   1H2*    A  38          1H2*        A  38  -4.530 -12.022  -5.084
  428   2H2*    A  38          2H2*        A  38  -2.755 -11.989  -4.922
  429   1H5*    G  39          1H5*        G  39  -0.287 -10.876  -5.027
  430   2H5*    G  39          2H5*        G  39   1.021 -11.491  -6.078
  431    H4*    G  39           H4*        G  39   1.508 -12.000  -3.724
  432    H3*    G  39           H3*        G  39   1.156 -14.139  -5.656
  433    H1*    G  39           H1*        G  39   0.189 -14.144  -1.811
  434    H8     G  39           H8         G  39  -2.743 -14.380  -4.412
  435    H1     G  39           H1         G  39  -4.188 -16.386   1.465
  436   1H2     G  39          1H2         G  39  -2.359 -16.285   2.772
  437   2H2     G  39          2H2         G  39  -0.818 -15.710   2.179
  438   1H2*    G  39          1H2*        G  39  -0.315 -15.441  -4.472
  439   2H2*    G  39          2H2*        G  39   1.012 -15.690  -3.309
  440   1H5*    T  40          1H5*        T  40   3.127 -15.167  -1.718
  441   2H5*    T  40          2H5*        T  40   4.709 -15.946  -1.957
  442    H4*    T  40           H4*        T  40   3.581 -17.011  -0.061
  443    H3*    T  40           H3*        T  40   4.100 -18.524  -2.530
  444   1H2*    T  40          1H2*        T  40   2.232 -19.896  -2.422
  445   2H2*    T  40          2H2*        T  40   2.720 -20.378  -0.777
  446    H1*    T  40           H1*        T  40   1.318 -18.875   0.258
  447    H3     T  40           H3         T  40  -2.926 -20.098  -0.570
  448   1H5M    T  40          1H5M        T  40  -1.009 -18.930  -5.407
  449   2H5M    T  40          2H5M        T  40  -1.854 -17.456  -4.898
  450   3H5M    T  40          3H5M        T  40  -2.756 -18.969  -5.086
  451    H6     T  40           H6         T  40   0.509 -18.235  -3.392
  452   1H5*    G  41          1H5*        G  41   4.590 -20.265   1.744
  453   2H5*    G  41          2H5*        G  41   5.866 -21.505   1.898
  454    H4*    G  41           H4*        G  41   3.825 -21.952   3.301
  455    H3*    G  41           H3*        G  41   4.758 -23.863   1.219
  456    H1*    G  41           H1*        G  41   1.078 -23.163   2.590
  457    H8     G  41           H8         G  41   2.163 -22.736  -1.142
  458    H1     G  41           H1         G  41  -3.970 -24.246  -0.294
  459   1H2     G  41          1H2         G  41  -4.366 -24.617   1.889
  460   2H2     G  41          2H2         G  41  -3.113 -24.474   3.101
  461   1H2*    G  41          1H2*        G  41   2.737 -24.826   0.794
  462   2H2*    G  41          2H2*        G  41   2.430 -24.993   2.542
  463   1H5*    C  42          1H5*        C  42   2.940 -25.120   5.125
  464   2H5*    C  42          2H5*        C  42   3.805 -26.442   5.946
  465    H4*    C  42           H4*        C  42   1.341 -26.641   6.247
  466    H3*    C  42           H3*        C  42   2.912 -28.760   4.870
  467    H1*    C  42           H1*        C  42  -0.890 -27.692   4.214
  468   1H4     C  42          1H4         C  42  -1.136 -28.360  -2.151
  469   2H4     C  42          2H4         C  42   0.574 -28.034  -2.312
  470    H5     C  42           H5         C  42   2.029 -27.639  -0.429
  471    H6     C  42           H6         C  42   2.164 -27.492   2.019
  472   1H2*    C  42          1H2*        C  42   1.202 -29.670   3.673
  473   2H2*    C  42          2H2*        C  42   0.109 -29.553   5.078
  474   1HN1  NCO  43          1HN1      NCO  43   1.602  13.687   0.280
  475   2HN1  NCO  43          2HN1      NCO  43   1.643  12.722   1.580
  476   3HN1  NCO  43          3HN1      NCO  43   2.199  14.241   1.675
  477   1HN2  NCO  43          1HN2      NCO  43   6.546  12.731   0.611
  478   2HN2  NCO  43          2HN2      NCO  43   6.010  11.244   0.277
  479   3HN2  NCO  43          3HN2      NCO  43   6.056  12.366  -0.891
  480   1HN3  NCO  43          1HN3      NCO  43   3.811  15.248  -0.152
  481   2HN3  NCO  43          2HN3      NCO  43   4.726  15.188   1.180
  482   3HN3  NCO  43          3HN3      NCO  43   5.366  14.806  -0.259
  483   1HN4  NCO  43          1HN4      NCO  43   3.751  12.834   3.118
  484   2HN4  NCO  43          2HN4      NCO  43   5.132  12.079   2.733
  485   3HN4  NCO  43          3HN4      NCO  43   5.066  13.694   2.722
  486   1HN5  NCO  43          1HN5      NCO  43   3.246  10.667   1.764
  487   2HN5  NCO  43          2HN5      NCO  43   2.546  10.719   0.303
  488   3HN5  NCO  43          3HN5      NCO  43   4.083  10.243   0.444
  489   1HN6  NCO  43          1HN6      NCO  43   3.900  13.425  -1.918
  490   2HN6  NCO  43          2HN6      NCO  43   3.739  11.818  -1.775
  491   3HN6  NCO  43          3HN6      NCO  43   2.473  12.783  -1.500
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1 -17.005 -30.322  -5.283
    2   2H5*    G   1          2H5*        G   1 -18.036 -28.869  -5.145
    3    H4*    G   1           H4*        G   1 -17.543 -29.691  -2.903
    4    H3*    G   1           H3*        G   1 -16.399 -27.141  -3.774
    5    H1*    G   1           H1*        G   1 -14.487 -29.825  -1.436
    6    H8     G   1           H8         G   1 -13.674 -29.562  -5.167
    7    H1     G   1           H1         G   1  -8.496 -29.074  -1.466
    8   1H2     G   1          1H2         G   1  -9.115 -28.946   0.693
    9   2H2     G   1          2H2         G   1 -10.792 -28.981   1.189
   10   1H2*    G   1          1H2*        G   1 -14.377 -27.224  -2.760
   11   2H2*    G   1          2H2*        G   1 -15.161 -27.654  -1.218
   12   1H5*    C   2          1H5*        C   2 -16.921 -27.452   0.728
   13   2H5*    C   2          2H5*        C   2 -17.721 -26.009   1.394
   14    H4*    C   2           H4*        C   2 -15.712 -26.763   2.739
   15    H3*    C   2           H3*        C   2 -16.083 -24.033   1.676
   16    H1*    C   2           H1*        C   2 -12.599 -26.002   2.036
   17   1H4     C   2          1H4         C   2  -9.684 -24.249  -3.381
   18   2H4     C   2          2H4         C   2 -11.199 -24.194  -4.253
   19    H5     C   2           H5         C   2 -13.343 -24.604  -3.207
   20    H6     C   2           H6         C   2 -14.486 -25.151  -1.099
   21   1H2*    C   2          1H2*        C   2 -13.915 -23.492   1.295
   22   2H2*    C   2          2H2*        C   2 -13.463 -24.093   2.912
   23   1H5*    A   3          1H5*        A   3 -13.621 -24.552   5.564
   24   2H5*    A   3          2H5*        A   3 -14.063 -23.300   6.750
   25    H4*    A   3           H4*        A   3 -11.589 -23.675   6.648
   26    H3*    A   3           H3*        A   3 -12.839 -21.040   6.135
   27    H1*    A   3           H1*        A   3  -9.499 -22.530   4.487
   28    H8     A   3           H8         A   3 -12.788 -21.641   2.594
   29   1H6     A   3          1H6         A   3  -9.180 -20.499  -2.271
   30   2H6     A   3          2H6         A   3 -10.833 -20.627  -1.711
   31    H2     A   3           H2         A   3  -6.532 -21.435   1.235
   32   1H2*    A   3          1H2*        A   3 -11.281 -20.204   4.707
   33   2H2*    A   3          2H2*        A   3  -9.974 -20.731   5.798
   34   1H5*    C   4          1H5*        C   4  -8.656 -21.092   8.134
   35   2H5*    C   4          2H5*        C   4  -8.580 -19.881   9.436
   36    H4*    C   4           H4*        C   4  -6.517 -19.871   8.014
   37    H3*    C   4           H3*        C   4  -8.250 -17.472   8.321
   38    H1*    C   4           H1*        C   4  -6.066 -18.536   5.147
   39   1H4     C   4          1H4         C   4  -9.936 -16.771   0.373
   40   2H4     C   4          2H4         C   4 -11.363 -17.014   1.354
   41    H5     C   4           H5         C   4 -11.274 -17.657   3.683
   42    H6     C   4           H6         C   4  -9.796 -18.218   5.564
   43   1H2*    C   4          1H2*        C   4  -7.675 -16.440   6.385
   44   2H2*    C   4          2H2*        C   4  -5.957 -16.829   6.632
   45   1H5*    T   5          1H5*        T   5  -3.709 -17.066   8.052
   46   2H5*    T   5          2H5*        T   5  -3.062 -15.846   9.171
   47    H4*    T   5           H4*        T   5  -1.946 -15.789   6.913
   48    H3*    T   5           H3*        T   5  -3.073 -13.454   8.230
   49   1H2*    T   5          1H2*        T   5  -4.276 -12.586   6.499
   50   2H2*    T   5          2H2*        T   5  -2.712 -12.401   5.656
   51    H1*    T   5           H1*        T   5  -3.037 -14.219   4.329
   52    H3     T   5           H3         T   5  -6.597 -13.199   1.737
   53   1H5M    T   5          1H5M        T   5  -8.498 -13.970   6.792
   54   2H5M    T   5          2H5M        T   5  -9.391 -14.738   5.461
   55   3H5M    T   5          3H5M        T   5  -9.378 -12.971   5.616
   56    H6     T   5           H6         T   5  -6.178 -14.297   6.408
   57   1H5*    G   6          1H5*        G   6   0.283 -12.633   5.294
   58   2H5*    G   6          2H5*        G   6   1.581 -11.598   5.954
   59    H4*    G   6           H4*        G   6   1.065 -11.049   3.584
   60    H3*    G   6           H3*        G   6   0.838  -9.073   5.713
   61    H1*    G   6           H1*        G   6  -1.432  -9.403   2.452
   62    H8     G   6           H8         G   6  -3.022  -9.899   6.001
   63    H1     G   6           H1         G   6  -7.187  -8.508   1.378
   64   1H2     G   6          1H2         G   6  -6.095  -8.194  -0.560
   65   2H2     G   6          2H2         G   6  -4.357  -8.342  -0.689
   66   1H2*    G   6          1H2*        G   6  -1.201  -8.183   5.173
   67   2H2*    G   6          2H2*        G   6  -0.477  -7.689   3.623
   68   1H5*    C   7          1H5*        C   7   1.227  -8.025   1.419
   69   2H5*    C   7          2H5*        C   7   2.655  -7.026   1.063
   70    H4*    C   7           H4*        C   7   0.914  -6.563  -0.602
   71    H3*    C   7           H3*        C   7   1.923  -4.471   1.150
   72    H1*    C   7           H1*        C   7  -1.794  -4.889  -0.233
   73   1H4     C   7          1H4         C   7  -6.041  -4.347   4.515
   74   2H4     C   7          2H4         C   7  -4.851  -4.775   5.724
   75    H5     C   7           H5         C   7  -2.535  -5.204   5.205
   76    H6     C   7           H6         C   7  -0.865  -5.341   3.415
   77   1H2*    C   7          1H2*        C   7  -0.056  -3.511   1.779
   78   2H2*    C   7          2H2*        C   7  -0.324  -3.146   0.052
   79   1H5*    A   8          1H5*        A   8   0.229  -2.043  -2.946
   80   2H5*    A   8          2H5*        A   8   1.735  -1.129  -3.185
   81    H4*    A   8           H4*        A   8   0.015   0.513  -3.341
   82    H3*    A   8           H3*        A   8   1.588   0.513  -0.854
   83    H1*    A   8           H1*        A   8  -2.219   1.549  -1.421
   84    H8     A   8           H8         A   8  -0.974  -0.963   1.297
   85   1H6     A   8          1H6         A   8  -6.638  -0.795   3.592
   86   2H6     A   8          2H6         A   8  -5.010  -1.403   3.793
   87    H2     A   8           H2         A   8  -6.613   1.693  -0.171
   88   1H2*    A   8          1H2*        A   8  -0.042   1.106   0.587
   89   2H2*    A   8          2H2*        A   8  -0.384   2.514  -0.432
   90   1H5*    T   9          1H5*        T   9   4.051   2.136  -3.267
   91   2H5*    T   9          2H5*        T   9   3.679   0.583  -2.484
   92    H4*    T   9           H4*        T   9   5.989   0.401  -2.790
   93    H3*    T   9           H3*        T   9   5.252   1.212  -0.072
   94   1H2*    T   9          1H2*        T   9   6.797   2.780   0.300
   95   2H2*    T   9          2H2*        T   9   8.054   1.561  -0.030
   96    H1*    T   9           H1*        T   9   8.430   2.311  -2.129
   97    H3     T   9           H3         T   9   9.893   6.497  -0.923
   98   1H5M    T   9          1H5M        T   9   4.662   6.978  -0.731
   99   2H5M    T   9          2H5M        T   9   4.936   7.288  -2.452
  100   3H5M    T   9          3H5M        T   9   5.656   8.360  -1.236
  101    H6     T   9           H6         T   9   5.558   4.676  -1.950
  102   1H5*    C  10          1H5*        C  10   9.218  -0.621  -0.741
  103   2H5*    C  10          2H5*        C  10   9.502  -2.135   0.150
  104    H4*    C  10           H4*        C  10  11.578  -0.694  -0.024
  105    H3*    C  10           H3*        C  10  10.519  -1.823   2.425
  106    H1*    C  10           H1*        C  10  12.122   1.844   2.085
  107   1H4     C  10          1H4         C  10   7.912   5.936   4.694
  108   2H4     C  10          2H4         C  10   6.569   4.879   4.319
  109    H5     C  10           H5         C  10   6.833   2.736   3.235
  110    H6     C  10           H6         C  10   8.447   1.101   2.392
  111   1H2*    C  10          1H2*        C  10  10.464   0.012   3.757
  112   2H2*    C  10          2H2*        C  10  12.236   0.098   3.572
  113   1H5*    C  11          1H5*        C  11  15.188  -0.876   2.918
  114   2H5*    C  11          2H5*        C  11  15.842  -1.753   4.314
  115    H4*    C  11           H4*        C  11  15.916   0.901   4.247
  116    H3*    C  11           H3*        C  11  15.447  -0.885   6.586
  117    H1*    C  11           H1*        C  11  14.099   2.754   5.756
  118   1H4     C  11          1H4         C  11   8.156   3.111   8.035
  119   2H4     C  11          2H4         C  11   7.842   1.424   7.693
  120    H5     C  11           H5         C  11   9.513  -0.072   6.768
  121    H6     C  11           H6         C  11  11.848  -0.268   6.015
  122   1H2*    C  11          1H2*        C  11  14.035   0.501   7.703
  123   2H2*    C  11          2H2*        C  11  15.202   1.833   7.524
  124   1H5*    T  12          1H5*        T  12  18.954   2.792   9.389
  125   2H5*    T  12          2H5*        T  12  17.623   2.191  10.410
  126    H4*    T  12           H4*        T  12  17.665   4.635  10.639
  127    H3*    T  12           H3*        T  12  15.394   3.297   9.528
  128   1H2*    T  12          1H2*        T  12  15.055   4.432   7.586
  129   2H2*    T  12          2H2*        T  12  14.828   5.905   8.568
  130    H1*    T  12           H1*        T  12  16.876   6.720   7.957
  131    H3     T  12           H3         T  12  16.047   6.270   3.402
  132   1H5M    T  12          1H5M        T  12  19.230   2.875   3.148
  133   2H5M    T  12          2H5M        T  12  20.105   3.106   4.679
  134   3H5M    T  12          3H5M        T  12  18.753   1.949   4.591
  135    H6     T  12           H6         T  12  18.486   3.760   6.721
  136   1H5*    T  13          1H5*        T  13  13.981   6.761  11.741
  137   2H5*    T  13          2H5*        T  13  13.968   6.983  13.505
  138    H4*    T  13           H4*        T  13  11.784   7.646  12.424
  139    H3*    T  13           H3*        T  13  12.002   5.810  14.684
  140   1H2*    T  13          1H2*        T  13  10.635   4.163  13.986
  141   2H2*    T  13          2H2*        T  13   9.326   5.374  13.936
  142    H1*    T  13           H1*        T  13   9.418   5.539  11.656
  143    H3     T  13           H3         T  13   8.343   1.184  10.707
  144   1H5M    T  13          1H5M        T  13  12.822  -0.106  10.533
  145   2H5M    T  13          2H5M        T  13  13.562   1.446  10.073
  146   3H5M    T  13          3H5M        T  13  13.506   0.956  11.785
  147    H6     T  13           H6         T  13  12.485   3.479  11.601
  148   1H5*    G  14          1H5*        G  14  10.828  11.637  14.997
  149   2H5*    G  14          2H5*        G  14   9.135  11.579  14.452
  150    H4*    G  14           H4*        G  14  11.736  11.337  12.932
  151    H3*    G  14           H3*        G  14   9.359  12.955  12.629
  152    H1*    G  14           H1*        G  14  10.752  10.230  10.204
  153    H8     G  14           H8         G  14   7.027   9.543  11.246
  154    H1     G  14           H1         G  14   9.846   4.882   7.932
  155   1H2     G  14          1H2         G  14  12.015   5.406   7.602
  156   2H2     G  14          2H2         G  14  12.712   6.894   8.202
  157   1H2*    G  14          1H2*        G  14   8.212  11.536  11.207
  158   2H2*    G  14          2H2*        G  14   9.385  12.098   9.987
  159   1H5*    G  15          1H5*        G  15  13.399  13.279  10.368
  160   2H5*    G  15          2H5*        G  15  13.733  14.802   9.500
  161    H4*    G  15           H4*        G  15  14.939  12.791   8.568
  162    H3*    G  15           H3*        G  15  13.281  14.569   6.961
  163    H1*    G  15           H1*        G  15  13.737  10.624   6.546
  164    H8     G  15           H8         G  15  10.248  12.089   7.546
  165    H1     G  15           H1         G  15  10.014   6.313   4.850
  166   1H2     G  15          1H2         G  15  12.081   5.638   4.298
  167   2H2     G  15          2H2         G  15  13.498   6.617   4.605
  168   1H2*    G  15          1H2*        G  15  12.061  12.997   5.824
  169   2H2*    G  15          2H2*        G  15  13.603  12.428   5.135
  170   1H5*    A  16          1H5*        A  16  16.603  12.091   5.588
  171   2H5*    A  16          2H5*        A  16  17.858  12.686   4.479
  172    H4*    A  16           H4*        A  16  17.356  10.228   4.200
  173    H3*    A  16           H3*        A  16  17.432  12.160   2.022
  174    H1*    A  16           H1*        A  16  15.094   8.993   2.401
  175    H8     A  16           H8         A  16  13.303  12.461   2.603
  176   1H6     A  16          1H6         A  16   8.360   9.494   0.467
  177   2H6     A  16          2H6         A  16   8.981  11.023   1.048
  178    H2     A  16           H2         A  16  11.782   6.556   0.689
  179   1H2*    A  16          1H2*        A  16  15.422  11.656   1.047
  180   2H2*    A  16          2H2*        A  16  16.137  10.073   0.662
  181   1H5*    C  17          1H5*        C  17  17.190   7.834   1.631
  182   2H5*    C  17          2H5*        C  17  18.665   7.148   0.925
  183    H4*    C  17           H4*        C  17  16.850   5.569   0.563
  184    H3*    C  17           H3*        C  17  18.188   6.810  -1.709
  185    H1*    C  17           H1*        C  17  14.387   5.678  -1.405
  186   1H4     C  17          1H4         C  17  10.423  10.221  -3.563
  187   2H4     C  17          2H4         C  17  11.535  11.493  -3.108
  188    H5     C  17           H5         C  17  13.721  11.069  -2.185
  189    H6     C  17           H6         C  17  15.293   9.342  -1.447
  190   1H2*    C  17          1H2*        C  17  16.338   7.329  -2.969
  191   2H2*    C  17          2H2*        C  17  16.007   5.575  -3.025
  192   1H5*    G  18          1H5*        G  18  16.082   2.966  -2.323
  193   2H5*    G  18          2H5*        G  18  17.063   1.647  -3.028
  194    H4*    G  18           H4*        G  18  14.745   1.588  -3.886
  195    H3*    G  18           H3*        G  18  17.023   1.907  -5.658
  196    H1*    G  18           H1*        G  18  13.405   3.433  -6.024
  197    H8     G  18           H8         G  18  16.280   6.070  -5.494
  198    H1     G  18           H1         G  18  10.806   8.362  -7.833
  199   1H2     G  18          1H2         G  18   9.332   6.679  -8.084
  200   2H2     G  18          2H2         G  18   9.727   5.026  -7.668
  201   1H2*    G  18          1H2*        G  18  16.301   3.788  -6.781
  202   2H2*    G  18          2H2*        G  18  15.051   2.723  -7.475
  203   1H5*    C  19          1H5*        C  19  16.108  -0.226  -9.860
  204   2H5*    C  19          2H5*        C  19  16.287   1.049  -8.659
  205    H4*    C  19           H4*        C  19  13.806  -0.188  -8.028
  206    H3*    C  19           H3*        C  19  14.140  -0.740 -10.775
  207    H1*    C  19           H1*        C  19  12.217   2.466  -9.468
  208   1H4     C  19          1H4         C  19  14.527   7.876 -11.996
  209   2H4     C  19          2H4         C  19  16.179   7.350 -11.761
  210    H5     C  19           H5         C  19  16.760   5.185 -10.852
  211    H6     C  19           H6         C  19  15.881   3.051 -10.021
  212   1H2*    C  19          1H2*        C  19  14.064   1.428 -11.608
  213   2H2*    C  19          2H2*        C  19  12.307   1.193 -11.404
  214   1H5*    T  20          1H5*        T  20   9.303  -1.487 -12.886
  215   2H5*    T  20          2H5*        T  20  10.731  -0.836 -13.720
  216    H4*    T  20           H4*        T  20   8.791   0.343 -14.530
  217    H3*    T  20           H3*        T  20  10.930   1.754 -13.468
  218   1H2*    T  20          1H2*        T  20  10.134   2.400 -11.395
  219   2H2*    T  20          2H2*        T  20   9.249   3.631 -12.337
  220    H1*    T  20           H1*        T  20   7.250   2.593 -12.000
  221    H3     T  20           H3         T  20   7.939   2.797  -7.362
  222   1H5M    T  20          1H5M        T  20   7.794  -1.854  -7.204
  223   2H5M    T  20          2H5M        T  20   7.022  -2.211  -8.766
  224   3H5M    T  20          3H5M        T  20   8.798  -2.229  -8.624
  225    H6     T  20           H6         T  20   7.995  -0.631 -10.755
  226   1H5*    T  21          1H5*        T  21   9.646   5.213 -14.325
  227   2H5*    T  21          2H5*        T  21   8.970   5.543 -15.933
  228    H4*    T  21           H4*        T  21   9.954   7.582 -14.758
  229    H3*    T  21           H3*        T  21  10.407   6.833 -17.514
  230   1H2*    T  21          1H2*        T  21  12.665   6.907 -17.645
  231   2H2*    T  21          2H2*        T  21  12.566   8.626 -17.181
  232    H1*    T  21           H1*        T  21  13.342   8.182 -15.079
  233    H3     T  21           H3         T  21  17.177   6.019 -16.478
  234   1H5M    T  21          1H5M        T  21  15.375   1.877 -15.341
  235   2H5M    T  21          2H5M        T  21  14.329   2.419 -14.007
  236   3H5M    T  21          3H5M        T  21  13.639   2.146 -15.627
  237    H6     T  21           H6         T  21  12.807   4.598 -15.009
  238   1H5*    G  22          1H5*        G  22   6.635  10.912 -17.400
  239   2H5*    G  22          2H5*        G  22   7.412  12.329 -16.665
  240    H4*    G  22           H4*        G  22   5.242  10.744 -15.663
  241    H3*    G  22           H3*        G  22   6.633  13.146 -14.782
  242    H1*    G  22           H1*        G  22   6.853   9.868 -12.407
  243    H8     G  22           H8         G  22   9.294  12.340 -14.192
  244    H1     G  22           H1         G  22  12.151   7.280 -11.583
  245   1H2     G  22          1H2         G  22  10.604   5.839 -10.815
  246   2H2     G  22          2H2         G  22   8.889   6.154 -10.952
  247   1H2*    G  22          1H2*        G  22   7.348  12.642 -12.697
  248   2H2*    G  22          2H2*        G  22   5.786  11.884 -12.316
  249   1H5*    C  23          1H5*        C  23   4.699   9.032 -13.685
  250   2H5*    C  23          2H5*        C  23   2.968   9.055 -13.297
  251    H4*    C  23           H4*        C  23   4.033   7.445 -11.832
  252    H3*    C  23           H3*        C  23   2.804   9.833 -10.651
  253    H1*    C  23           H1*        C  23   5.856   7.662  -9.454
  254   1H4     C  23          1H4         C  23  11.220  10.727  -7.912
  255   2H4     C  23          2H4         C  23  10.622  12.263  -8.496
  256    H5     C  23           H5         C  23   8.416  12.543  -9.456
  257    H6     C  23           H6         C  23   6.337  11.405 -10.080
  258   1H2*    C  23          1H2*        C  23   4.491  10.340  -9.169
  259   2H2*    C  23          2H2*        C  23   4.139   8.774  -8.392
  260   1H5*    G  24          1H5*        G  24   2.560   5.488  -8.653
  261   2H5*    G  24          2H5*        G  24   0.946   5.292  -7.910
  262    H4*    G  24           H4*        G  24   2.632   4.014  -6.648
  263    H3*    G  24           H3*        G  24   1.257   6.279  -5.393
  264    H1*    G  24           H1*        G  24   4.974   4.935  -4.763
  265    H8     G  24           H8         G  24   4.069   8.633  -5.622
  266    H1     G  24           H1         G  24  10.187   7.837  -4.064
  267   1H2     G  24          1H2         G  24  10.651   5.672  -3.792
  268   2H2     G  24          2H2         G  24   9.446   4.420  -3.986
  269   1H2*    G  24          1H2*        G  24   2.973   7.086  -4.160
  270   2H2*    G  24          2H2*        G  24   3.168   5.475  -3.431
  271   1H5*    C  25          1H5*        C  25  -1.850   7.249  -4.798
  272   2H5*    C  25          2H5*        C  25  -1.394   6.734  -3.157
  273    H4*    C  25           H4*        C  25  -3.585   5.395  -4.827
  274    H3*    C  25           H3*        C  25  -3.749   7.875  -3.318
  275    H1*    C  25           H1*        C  25  -5.052   4.289  -2.115
  276   1H4     C  25          1H4         C  25  -3.166   4.121   4.083
  277   2H4     C  25          2H4         C  25  -1.502   4.088   3.545
  278    H5     C  25           H5         C  25  -0.854   4.358   1.241
  279    H6     C  25           H6         C  25  -1.655   4.632  -1.063
  280   1H2*    C  25          1H2*        C  25  -4.302   7.052  -1.276
  281   2H2*    C  25          2H2*        C  25  -5.813   6.470  -2.024
  282   1H5*    C  26          1H5*        C  26  -8.172   6.780  -3.981
  283   2H5*    C  26          2H5*        C  26  -8.917   8.121  -4.883
  284    H4*    C  26           H4*        C  26 -10.292   7.488  -2.898
  285    H3*    C  26           H3*        C  26  -9.290  10.188  -3.358
  286    H1*    C  26           H1*        C  26  -9.684   8.345   0.172
  287   1H4     C  26          1H4         C  26  -4.267   9.139   3.489
  288   2H4     C  26          2H4         C  26  -3.329   9.380   2.031
  289    H5     C  26           H5         C  26  -4.303   9.422  -0.173
  290    H6     C  26           H6         C  26  -6.374   9.165  -1.470
  291   1H2*    C  26          1H2*        C  26  -8.501  10.677  -1.274
  292   2H2*    C  26          2H2*        C  26 -10.158  10.420  -0.668
  293   1H5*    A  27          1H5*        A  27 -13.145   9.833  -0.680
  294   2H5*    A  27          2H5*        A  27 -14.321  11.053  -1.222
  295    H4*    A  27           H4*        A  27 -14.331  10.865   1.251
  296    H3*    A  27           H3*        A  27 -13.779  13.380  -0.127
  297    H1*    A  27           H1*        A  27 -12.204  12.086   3.303
  298    H8     A  27           H8         A  27  -9.921  12.753   0.172
  299   1H6     A  27          1H6         A  27  -5.249  12.865   4.175
  300   2H6     A  27          2H6         A  27  -5.705  13.005   2.491
  301    H2     A  27           H2         A  27  -9.036  12.115   6.486
  302   1H2*    A  27          1H2*        A  27 -11.972  14.078   1.085
  303   2H2*    A  27          2H2*        A  27 -13.028  14.068   2.519
  304   1H5*    C  28          1H5*        C  28 -15.479  13.435   4.038
  305   2H5*    C  28          2H5*        C  28 -16.277  14.869   4.713
  306    H4*    C  28           H4*        C  28 -14.234  13.871   5.995
  307    H3*    C  28           H3*        C  28 -14.831  16.741   5.518
  308    H1*    C  28           H1*        C  28 -11.477  14.760   6.038
  309   1H4     C  28          1H4         C  28  -6.751  17.244   2.573
  310   2H4     C  28          2H4         C  28  -7.807  17.579   1.221
  311    H5     C  28           H5         C  28 -10.199  17.120   1.261
  312    H6     C  28           H6         C  28 -12.071  16.307   2.639
  313   1H2*    C  28          1H2*        C  28 -12.667  17.401   5.227
  314   2H2*    C  28          2H2*        C  28 -12.303  16.756   6.850
  315   1H5*    T  29          1H5*        T  29 -13.542  17.731  11.116
  316   2H5*    T  29          2H5*        T  29 -12.995  18.927   9.918
  317    H4*    T  29           H4*        T  29 -11.140  18.520  11.443
  318    H3*    T  29           H3*        T  29 -10.844  18.096   8.683
  319   1H2*    T  29          1H2*        T  29 -10.751  15.769   8.640
  320   2H2*    T  29          2H2*        T  29  -9.055  16.066   9.130
  321    H1*    T  29           H1*        T  29  -9.445  15.498  11.323
  322    H3     T  29           H3         T  29 -10.070  11.057  10.346
  323   1H5M    T  29          1H5M        T  29 -14.697  11.551  10.113
  324   2H5M    T  29          2H5M        T  29 -14.902  12.949  11.195
  325   3H5M    T  29          3H5M        T  29 -14.815  13.190   9.431
  326    H6     T  29           H6         T  29 -13.007  14.875  10.582
  327   1H5*    T  30          1H5*        T  30  -6.858  18.292  10.259
  328   2H5*    T  30          2H5*        T  30  -6.265  19.578  11.332
  329    H4*    T  30           H4*        T  30  -4.465  18.617   9.845
  330    H3*    T  30           H3*        T  30  -4.916  21.395  10.266
  331   1H2*    T  30          1H2*        T  30  -5.449  22.096   8.152
  332   2H2*    T  30          2H2*        T  30  -3.732  21.775   7.774
  333    H1*    T  30           H1*        T  30  -4.234  19.861   6.609
  334    H3     T  30           H3         T  30  -6.833  22.336   3.633
  335   1H5M    T  30          1H5M        T  30 -10.663  20.193   5.182
  336   2H5M    T  30          2H5M        T  30  -9.945  18.754   5.945
  337   3H5M    T  30          3H5M        T  30 -10.321  20.192   6.929
  338    H6     T  30           H6         T  30  -7.701  19.404   7.363
  339   1H5*    G  31          1H5*        G  31   0.421  18.958  11.817
  340   2H5*    G  31          2H5*        G  31   0.444  19.050  10.038
  341    H4*    G  31           H4*        G  31  -1.744  17.852  11.836
  342    H3*    G  31           H3*        G  31   0.609  16.605  10.668
  343    H1*    G  31           H1*        G  31  -3.154  16.256   9.587
  344    H8     G  31           H8         G  31  -0.751  17.759   6.837
  345    H1     G  31           H1         G  31  -6.685  16.379   4.940
  346   1H2     G  31          1H2         G  31  -7.847  15.563   6.695
  347   2H2     G  31          2H2         G  31  -7.130  15.379   8.281
  348   1H2*    G  31          1H2*        G  31  -0.302  16.042   8.631
  349   2H2*    G  31          2H2*        G  31  -1.297  14.885   9.551
  350   1H5*    T  32          1H5*        T  32  -2.658  14.468  13.404
  351   2H5*    T  32          2H5*        T  32  -2.048  12.973  14.147
  352    H4*    T  32           H4*        T  32  -4.545  12.927  13.769
  353    H3*    T  32           H3*        T  32  -2.745  10.815  12.895
  354   1H2*    T  32          1H2*        T  32  -3.531  10.530  10.771
  355   2H2*    T  32          2H2*        T  32  -5.091  10.111  11.520
  356    H1*    T  32           H1*        T  32  -6.034  12.115  11.065
  357    H3     T  32           H3         T  32  -6.167  12.512   6.557
  358   1H5M    T  32          1H5M        T  32  -0.922  12.806   7.984
  359   2H5M    T  32          2H5M        T  32  -1.514  14.195   7.051
  360   3H5M    T  32          3H5M        T  32  -1.435  12.593   6.296
  361    H6     T  32           H6         T  32  -2.559  12.692   9.745
  362   1H5*    G  33          1H5*        G  33  -7.142   9.698  13.687
  363   2H5*    G  33          2H5*        G  33  -7.288   8.220  14.678
  364    H4*    G  33           H4*        G  33  -9.028   8.371  12.882
  365    H3*    G  33           H3*        G  33  -7.221   6.105  13.147
  366    H1*    G  33           H1*        G  33  -8.633   7.686   9.772
  367    H8     G  33           H8         G  33  -4.787   7.884  10.536
  368    H1     G  33           H1         G  33  -6.347   8.494   4.387
  369   1H2     G  33          1H2         G  33  -8.570   8.271   4.138
  370   2H2     G  33          2H2         G  33  -9.636   7.984   5.494
  371   1H2*    G  33          1H2*        G  33  -6.544   5.911  10.969
  372   2H2*    G  33          2H2*        G  33  -8.248   5.574  10.565
  373   1H5*    G  34          1H5*        G  34 -11.130   5.753  10.773
  374   2H5*    G  34          2H5*        G  34 -12.108   4.392  11.394
  375    H4*    G  34           H4*        G  34 -12.460   4.726   8.961
  376    H3*    G  34           H3*        G  34 -11.451   2.226  10.043
  377    H1*    G  34           H1*        G  34 -10.459   3.913   6.573
  378    H8     G  34           H8         G  34  -7.754   3.421   9.363
  379    H1     G  34           H1         G  34  -5.400   4.374   3.519
  380   1H2     G  34          1H2         G  34  -7.073   4.629   2.046
  381   2H2     G  34          2H2         G  34  -8.755   4.570   2.524
  382   1H2*    G  34          1H2*        G  34  -9.683   1.890   8.642
  383   2H2*    G  34          2H2*        G  34 -10.870   1.787   7.324
  384   1H5*    T  35          1H5*        T  35 -14.737   2.375   6.437
  385   2H5*    T  35          2H5*        T  35 -15.634   0.840   6.446
  386    H4*    T  35           H4*        T  35 -15.429   1.802   4.140
  387    H3*    T  35           H3*        T  35 -14.550  -0.917   4.841
  388   1H2*    T  35          1H2*        T  35 -12.574  -0.952   3.754
  389   2H2*    T  35          2H2*        T  35 -13.468  -0.660   2.245
  390    H1*    T  35           H1*        T  35 -12.937   1.568   2.191
  391    H3     T  35           H3         T  35  -8.408   1.854   1.790
  392   1H5M    T  35          1H5M        T  35  -7.887  -0.542   5.859
  393   2H5M    T  35          2H5M        T  35  -9.432  -0.296   6.703
  394   3H5M    T  35          3H5M        T  35  -8.228   1.006   6.656
  395    H6     T  35           H6         T  35 -11.285   0.462   5.398
  396   1H5*    G  36          1H5*        G  36 -15.199  -0.595   0.298
  397   2H5*    G  36          2H5*        G  36 -16.306  -1.903  -0.205
  398    H4*    G  36           H4*        G  36 -14.290  -1.575  -1.716
  399    H3*    G  36           H3*        G  36 -15.105  -4.119  -0.566
  400    H1*    G  36           H1*        G  36 -11.349  -2.866  -1.133
  401    H8     G  36           H8         G  36 -12.780  -3.188   2.487
  402    H1     G  36           H1         G  36  -6.469  -4.005   2.069
  403   1H2     G  36          1H2         G  36  -5.828  -3.898  -0.083
  404   2H2     G  36          2H2         G  36  -6.962  -3.619  -1.385
  405   1H2*    G  36          1H2*        G  36 -13.105  -4.837   0.262
  406   2H2*    G  36          2H2*        G  36 -12.505  -4.820  -1.416
  407   1H5*    C  37          1H5*        C  37 -12.440  -4.073  -4.278
  408   2H5*    C  37          2H5*        C  37 -13.082  -5.105  -5.577
  409    H4*    C  37           H4*        C  37 -10.578  -5.101  -5.529
  410    H3*    C  37           H3*        C  37 -12.191  -7.535  -5.418
  411    H1*    C  37           H1*        C  37  -8.716  -6.841  -3.566
  412   1H4     C  37          1H4         C  37  -9.215  -8.595   2.567
  413   2H4     C  37          2H4         C  37 -10.956  -8.432   2.545
  414    H5     C  37           H5         C  37 -12.203  -7.824   0.570
  415    H6     C  37           H6         C  37 -12.048  -7.242  -1.811
  416   1H2*    C  37          1H2*        C  37 -11.089  -8.647  -3.753
  417   2H2*    C  37          2H2*        C  37  -9.625  -8.556  -4.765
  418   1H5*    A  38          1H5*        A  38  -7.872  -7.799  -7.170
  419   2H5*    A  38          2H5*        A  38  -7.847  -8.788  -8.648
  420    H4*    A  38           H4*        A  38  -5.809  -9.156  -7.249
  421    H3*    A  38           H3*        A  38  -7.561 -11.311  -8.133
  422    H1*    A  38           H1*        A  38  -5.595 -11.056  -4.674
  423    H8     A  38           H8         A  38  -9.521 -10.992  -4.682
  424   1H6     A  38          1H6         A  38  -9.096 -12.741   1.199
  425   2H6     A  38          2H6         A  38 -10.188 -12.292  -0.092
  426    H2     A  38           H2         A  38  -4.929 -12.475  -0.473
  427   1H2*    A  38          1H2*        A  38  -7.795 -12.435  -6.154
  428   2H2*    A  38          2H2*        A  38  -6.034 -12.701  -6.196
  429   1H5*    G  39          1H5*        G  39  -3.390 -12.098  -6.692
  430   2H5*    G  39          2H5*        G  39  -2.400 -12.978  -7.891
  431    H4*    G  39           H4*        G  39  -1.694 -13.529  -5.592
  432    H3*    G  39           H3*        G  39  -2.691 -15.585  -7.391
  433    H1*    G  39           H1*        G  39  -3.135 -15.374  -3.446
  434    H8     G  39           H8         G  39  -6.341 -15.088  -5.694
  435    H1     G  39           H1         G  39  -7.447 -16.776   0.355
  436   1H2     G  39          1H2         G  39  -5.498 -16.989   1.454
  437   2H2     G  39          2H2         G  39  -3.954 -16.699   0.682
  438   1H2*    G  39          1H2*        G  39  -4.175 -16.609  -5.974
  439   2H2*    G  39          2H2*        G  39  -2.763 -17.049  -4.977
  440   1H5*    T  40          1H5*        T  40  -0.323 -16.706  -3.814
  441   2H5*    T  40          2H5*        T  40   1.062 -17.788  -4.091
  442    H4*    T  40           H4*        T  40  -0.102 -18.318  -1.947
  443    H3*    T  40           H3*        T  40   0.106 -20.277  -4.171
  444   1H2*    T  40          1H2*        T  40  -1.875 -21.383  -3.730
  445   2H2*    T  40          2H2*        T  40  -1.330 -21.630  -2.047
  446    H1*    T  40           H1*        T  40  -2.497 -19.815  -1.240
  447    H3     T  40           H3         T  40  -6.858 -20.818  -1.681
  448   1H5M    T  40          1H5M        T  40  -5.234 -20.215  -6.718
  449   2H5M    T  40          2H5M        T  40  -5.830 -18.605  -6.267
  450   3H5M    T  40          3H5M        T  40  -6.939 -19.990  -6.267
  451    H6     T  40           H6         T  40  -3.483 -19.536  -4.875
  452   1H5*    G  41          1H5*        G  41   0.435 -21.706   0.238
  453   2H5*    G  41          2H5*        G  41   1.604 -23.047   0.409
  454    H4*    G  41           H4*        G  41  -0.412 -23.379   1.816
  455    H3*    G  41           H3*        G  41   0.176 -25.272  -0.410
  456    H1*    G  41           H1*        G  41  -3.278 -24.209   1.259
  457    H8     G  41           H8         G  41  -2.482 -23.766  -2.549
  458    H1     G  41           H1         G  41  -8.656 -24.540  -1.162
  459   1H2     G  41          1H2         G  41  -8.893 -24.930   1.043
  460   2H2     G  41          2H2         G  41  -7.524 -24.983   2.132
  461   1H2*    G  41          1H2*        G  41  -1.970 -25.965  -0.741
  462   2H2*    G  41          2H2*        G  41  -2.186 -26.194   1.014
  463   1H5*    C  42          1H5*        C  42  -1.490 -26.413   3.557
  464   2H5*    C  42          2H5*        C  42  -0.737 -27.834   4.320
  465    H4*    C  42           H4*        C  42  -3.165 -27.725   4.829
  466    H3*    C  42           H3*        C  42  -2.016 -30.016   3.308
  467    H1*    C  42           H1*        C  42  -5.684 -28.446   3.050
  468   1H4     C  42          1H4         C  42  -6.756 -29.035  -3.236
  469   2H4     C  42          2H4         C  42  -5.048 -28.935  -3.600
  470    H5     C  42           H5         C  42  -3.344 -28.743  -1.902
  471    H6     C  42           H6         C  42  -2.906 -28.625   0.513
  472   1H2*    C  42          1H2*        C  42  -3.937 -30.676   2.281
  473   2H2*    C  42          2H2*        C  42  -4.864 -30.442   3.789
  474   1HN1  NCO  43          1HN1      NCO  43   2.997   8.038   3.976
  475   2HN1  NCO  43          2HN1      NCO  43   4.260   7.312   3.265
  476   3HN1  NCO  43          3HN1      NCO  43   4.352   7.769   4.817
  477   1HN2  NCO  43          1HN2      NCO  43   6.204  11.909   3.492
  478   2HN2  NCO  43          2HN2      NCO  43   5.912  11.605   1.932
  479   3HN2  NCO  43          3HN2      NCO  43   4.785  12.338   2.837
  480   1HN3  NCO  43          1HN3      NCO  43   5.203  10.143   5.859
  481   2HN3  NCO  43          2HN3      NCO  43   4.487  11.484   5.298
  482   3HN3  NCO  43          3HN3      NCO  43   3.604  10.164   5.623
  483   1HN4  NCO  43          1HN4      NCO  43   7.249   9.521   3.082
  484   2HN4  NCO  43          2HN4      NCO  43   6.916   9.527   4.663
  485   3HN4  NCO  43          3HN4      NCO  43   6.651   8.190   3.788
  486   1HN5  NCO  43          1HN5      NCO  43   4.079   8.709   1.158
  487   2HN5  NCO  43          2HN5      NCO  43   5.114   9.904   0.822
  488   3HN5  NCO  43          3HN5      NCO  43   5.669   8.489   1.387
  489   1HN6  NCO  43          1HN6      NCO  43   2.860  10.892   1.977
  490   2HN6  NCO  43          2HN6      NCO  43   2.203   9.747   2.909
  491   3HN6  NCO  43          3HN6      NCO  43   2.566  11.193   3.542
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1 -15.387 -30.459  -4.950
    2   2H5*    G   1          2H5*        G   1 -16.517 -29.075  -4.979
    3    H4*    G   1           H4*        G   1 -16.087 -29.685  -2.657
    4    H3*    G   1           H3*        G   1 -15.073 -27.134  -3.677
    5    H1*    G   1           H1*        G   1 -13.124 -29.488  -1.034
    6    H8     G   1           H8         G   1 -12.121 -29.320  -4.743
    7    H1     G   1           H1         G   1  -7.183 -28.576  -0.766
    8   1H2     G   1          1H2         G   1  -7.928 -28.430   1.350
    9   2H2     G   1          2H2         G   1  -9.628 -28.517   1.753
   10   1H2*    G   1          1H2*        G   1 -13.107 -26.994  -2.558
   11   2H2*    G   1          2H2*        G   1 -13.948 -27.360  -1.028
   12   1H5*    C   2          1H5*        C   2 -15.846 -27.183   0.789
   13   2H5*    C   2          2H5*        C   2 -16.763 -25.756   1.330
   14    H4*    C   2           H4*        C   2 -14.799 -26.316   2.824
   15    H3*    C   2           H3*        C   2 -15.243 -23.674   1.577
   16    H1*    C   2           H1*        C   2 -11.703 -25.437   2.278
   17   1H4     C   2          1H4         C   2  -8.477 -23.892  -3.023
   18   2H4     C   2          2H4         C   2  -9.930 -23.944  -3.997
   19    H5     C   2           H5         C   2 -12.126 -24.363  -3.075
   20    H6     C   2           H6         C   2 -13.395 -24.828  -1.022
   21   1H2*    C   2          1H2*        C   2 -13.082 -23.040   1.301
   22   2H2*    C   2          2H2*        C   2 -12.709 -23.525   2.976
   23   1H5*    A   3          1H5*        A   3 -13.073 -23.899   5.647
   24   2H5*    A   3          2H5*        A   3 -13.574 -22.582   6.736
   25    H4*    A   3           H4*        A   3 -11.089 -22.970   6.755
   26    H3*    A   3           H3*        A   3 -12.321 -20.356   6.090
   27    H1*    A   3           H1*        A   3  -8.909 -21.904   4.662
   28    H8     A   3           H8         A   3 -12.100 -21.082   2.584
   29   1H6     A   3          1H6         A   3  -8.261 -19.989  -2.108
   30   2H6     A   3          2H6         A   3  -9.938 -20.133  -1.631
   31    H2     A   3           H2         A   3  -5.785 -20.809   1.552
   32   1H2*    A   3          1H2*        A   3 -10.675 -19.559   4.739
   33   2H2*    A   3          2H2*        A   3  -9.432 -20.076   5.909
   34   1H5*    C   4          1H5*        C   4  -8.261 -20.408   8.316
   35   2H5*    C   4          2H5*        C   4  -8.235 -19.171   9.597
   36    H4*    C   4           H4*        C   4  -6.087 -19.241   8.309
   37    H3*    C   4           H3*        C   4  -7.775 -16.799   8.471
   38    H1*    C   4           H1*        C   4  -5.450 -17.963   5.430
   39   1H4     C   4          1H4         C   4  -9.061 -16.245   0.437
   40   2H4     C   4          2H4         C   4 -10.537 -16.452   1.354
   41    H5     C   4           H5         C   4 -10.568 -17.054   3.693
   42    H6     C   4           H6         C   4  -9.191 -17.587   5.656
   43   1H2*    C   4          1H2*        C   4  -7.092 -15.826   6.542
   44   2H2*    C   4          2H2*        C   4  -5.395 -16.227   6.884
   45   1H5*    T   5          1H5*        T   5  -3.203 -16.429   8.410
   46   2H5*    T   5          2H5*        T   5  -2.619 -15.175   9.528
   47    H4*    T   5           H4*        T   5  -1.404 -15.171   7.314
   48    H3*    T   5           H3*        T   5  -2.588 -12.804   8.535
   49   1H2*    T   5          1H2*        T   5  -3.707 -11.970   6.736
   50   2H2*    T   5          2H2*        T   5  -2.108 -11.811   5.958
   51    H1*    T   5           H1*        T   5  -2.391 -13.656   4.655
   52    H3     T   5           H3         T   5  -5.853 -12.681   1.913
   53   1H5M    T   5          1H5M        T   5  -7.934 -13.355   6.911
   54   2H5M    T   5          2H5M        T   5  -8.783 -14.146   5.566
   55   3H5M    T   5          3H5M        T   5  -8.771 -12.377   5.687
   56    H6     T   5           H6         T   5  -5.607 -13.697   6.615
   57   1H5*    G   6          1H5*        G   6   0.887 -12.001   5.736
   58   2H5*    G   6          2H5*        G   6   2.124 -10.903   6.411
   59    H4*    G   6           H4*        G   6   1.647 -10.446   4.004
   60    H3*    G   6           H3*        G   6   1.353  -8.414   6.069
   61    H1*    G   6           H1*        G   6  -0.848  -8.874   2.781
   62    H8     G   6           H8         G   6  -2.525  -9.319   6.298
   63    H1     G   6           H1         G   6  -6.584  -8.115   1.527
   64   1H2     G   6          1H2         G   6  -5.440  -7.802  -0.382
   65   2H2     G   6          2H2         G   6  -3.695  -7.909  -0.455
   66   1H2*    G   6          1H2*        G   6  -0.703  -7.592   5.481
   67   2H2*    G   6          2H2*        G   6   0.032  -7.109   3.934
   68   1H5*    C   7          1H5*        C   7   1.670  -7.583   1.768
   69   2H5*    C   7          2H5*        C   7   3.064  -6.577   1.311
   70    H4*    C   7           H4*        C   7   1.284  -6.289  -0.351
   71    H3*    C   7           H3*        C   7   2.265  -4.039   1.216
   72    H1*    C   7           H1*        C   7  -1.450  -4.664  -0.082
   73   1H4     C   7          1H4         C   7  -5.720  -3.903   4.612
   74   2H4     C   7          2H4         C   7  -4.519  -4.193   5.850
   75    H5     C   7           H5         C   7  -2.188  -4.575   5.366
   76    H6     C   7           H6         C   7  -0.507  -4.785   3.593
   77   1H2*    C   7          1H2*        C   7   0.264  -3.093   1.808
   78   2H2*    C   7          2H2*        C   7  -0.036  -2.859   0.064
   79   1H5*    A   8          1H5*        A   8   0.206  -1.938  -2.824
   80   2H5*    A   8          2H5*        A   8   1.664  -1.021  -3.267
   81    H4*    A   8           H4*        A   8  -0.021   0.623  -3.349
   82    H3*    A   8           H3*        A   8   1.614   0.698  -0.906
   83    H1*    A   8           H1*        A   8  -2.215   1.689  -1.398
   84    H8     A   8           H8         A   8  -0.857  -0.748   1.338
   85   1H6     A   8          1H6         A   8  -6.486  -0.712   3.716
   86   2H6     A   8          2H6         A   8  -4.843  -1.286   3.889
   87    H2     A   8           H2         A   8  -6.577   1.770  -0.054
   88   1H2*    A   8          1H2*        A   8   0.021   1.330   0.558
   89   2H2*    A   8          2H2*        A   8  -0.361   2.702  -0.497
   90   1H5*    T   9          1H5*        T   9   4.070   2.192  -3.366
   91   2H5*    T   9          2H5*        T   9   3.643   0.672  -2.548
   92    H4*    T   9           H4*        T   9   5.957   0.438  -2.818
   93    H3*    T   9           H3*        T   9   5.150   1.277  -0.128
   94   1H2*    T   9          1H2*        T   9   6.735   2.793   0.305
   95   2H2*    T   9          2H2*        T   9   7.964   1.539  -0.006
   96    H1*    T   9           H1*        T   9   8.423   2.308  -2.081
   97    H3     T   9           H3         T   9   9.899   6.479  -0.851
   98   1H5M    T   9          1H5M        T   9   4.730   7.095  -0.691
   99   2H5M    T   9          2H5M        T   9   4.909   7.223  -2.448
  100   3H5M    T   9          3H5M        T   9   5.706   8.403  -1.391
  101    H6     T   9           H6         T   9   5.571   4.707  -1.985
  102   1H5*    C  10          1H5*        C  10   9.021  -0.777  -0.578
  103   2H5*    C  10          2H5*        C  10   9.241  -2.261   0.378
  104    H4*    C  10           H4*        C  10  11.346  -0.871   0.255
  105    H3*    C  10           H3*        C  10  10.136  -1.845   2.707
  106    H1*    C  10           H1*        C  10  11.854   1.752   2.239
  107   1H4     C  10          1H4         C  10   7.698   6.090   4.506
  108   2H4     C  10          2H4         C  10   6.334   5.053   4.153
  109    H5     C  10           H5         C  10   6.560   2.848   3.190
  110    H6     C  10           H6         C  10   8.144   1.130   2.459
  111   1H2*    C  10          1H2*        C  10  10.085   0.057   3.941
  112   2H2*    C  10          2H2*        C  10  11.865   0.087   3.818
  113   1H5*    C  11          1H5*        C  11  14.892  -1.153   3.401
  114   2H5*    C  11          2H5*        C  11  15.375  -1.988   4.890
  115    H4*    C  11           H4*        C  11  15.654   0.656   4.659
  116    H3*    C  11           H3*        C  11  14.970  -0.953   7.069
  117    H1*    C  11           H1*        C  11  13.845   2.699   5.982
  118   1H4     C  11          1H4         C  11   7.792   3.408   7.831
  119   2H4     C  11          2H4         C  11   7.433   1.716   7.574
  120    H5     C  11           H5         C  11   9.100   0.102   6.862
  121    H6     C  11           H6         C  11  11.467  -0.223   6.275
  122   1H2*    C  11          1H2*        C  11  13.580   0.563   8.033
  123   2H2*    C  11          2H2*        C  11  14.823   1.820   7.838
  124   1H5*    T  12          1H5*        T  12  18.333   2.689  10.036
  125   2H5*    T  12          2H5*        T  12  16.853   2.138  10.859
  126    H4*    T  12           H4*        T  12  16.972   4.589  11.072
  127    H3*    T  12           H3*        T  12  14.793   3.307   9.733
  128   1H2*    T  12          1H2*        T  12  14.688   4.420   7.755
  129   2H2*    T  12          2H2*        T  12  14.443   5.923   8.682
  130    H1*    T  12           H1*        T  12  16.568   6.626   8.226
  131    H3     T  12           H3         T  12  16.213   5.940   3.635
  132   1H5M    T  12          1H5M        T  12  19.268   2.433   3.904
  133   2H5M    T  12          2H5M        T  12  20.081   2.854   5.430
  134   3H5M    T  12          3H5M        T  12  18.748   1.671   5.425
  135    H6     T  12           H6         T  12  18.215   3.572   7.330
  136   1H5*    T  13          1H5*        T  13  13.050   6.775  11.543
  137   2H5*    T  13          2H5*        T  13  13.092   7.082  13.295
  138    H4*    T  13           H4*        T  13  10.919   7.832  12.287
  139    H3*    T  13           H3*        T  13  11.089   5.951  14.516
  140   1H2*    T  13          1H2*        T  13   9.584   4.414  13.875
  141   2H2*    T  13          2H2*        T  13   8.364   5.713  13.802
  142    H1*    T  13           H1*        T  13   8.437   5.782  11.523
  143    H3     T  13           H3         T  13   7.311   1.422  10.662
  144   1H5M    T  13          1H5M        T  13  11.789   0.190  10.191
  145   2H5M    T  13          2H5M        T  13  12.617   1.763  10.128
  146   3H5M    T  13          3H5M        T  13  12.370   0.948  11.692
  147    H6     T  13           H6         T  13  11.487   3.701  11.463
  148   1H5*    G  14          1H5*        G  14  10.325  11.852  14.771
  149   2H5*    G  14          2H5*        G  14   8.699  11.946  14.054
  150    H4*    G  14           H4*        G  14  11.413  11.540  12.802
  151    H3*    G  14           H3*        G  14   9.180  13.275  12.259
  152    H1*    G  14           H1*        G  14  10.578  10.436   9.968
  153    H8     G  14           H8         G  14   6.773   9.946  10.812
  154    H1     G  14           H1         G  14   9.541   5.109   7.720
  155   1H2     G  14          1H2         G  14  11.747   5.534   7.494
  156   2H2     G  14          2H2         G  14  12.476   7.000   8.107
  157   1H2*    G  14          1H2*        G  14   8.054  11.885  10.790
  158   2H2*    G  14          2H2*        G  14   9.333  12.370   9.646
  159   1H5*    G  15          1H5*        G  15  13.370  13.229  10.204
  160   2H5*    G  15          2H5*        G  15  13.838  14.730   9.363
  161    H4*    G  15           H4*        G  15  14.961  12.662   8.465
  162    H3*    G  15           H3*        G  15  13.464  14.526   6.801
  163    H1*    G  15           H1*        G  15  13.714  10.564   6.396
  164    H8     G  15           H8         G  15  10.271  12.220   7.263
  165    H1     G  15           H1         G  15   9.850   6.410   4.665
  166   1H2     G  15          1H2         G  15  11.901   5.636   4.183
  167   2H2     G  15          2H2         G  15  13.350   6.560   4.513
  168   1H2*    G  15          1H2*        G  15  12.197  13.026   5.622
  169   2H2*    G  15          2H2*        G  15  13.727  12.371   4.985
  170   1H5*    A  16          1H5*        A  16  16.841  11.959   5.515
  171   2H5*    A  16          2H5*        A  16  18.073  12.488   4.349
  172    H4*    A  16           H4*        A  16  17.445  10.026   4.178
  173    H3*    A  16           H3*        A  16  17.653  11.877   1.938
  174    H1*    A  16           H1*        A  16  15.138   8.867   2.401
  175    H8     A  16           H8         A  16  13.521  12.429   2.461
  176   1H6     A  16          1H6         A  16   8.463   9.613   0.362
  177   2H6     A  16          2H6         A  16   9.144  11.134   0.893
  178    H2     A  16           H2         A  16  11.743   6.535   0.749
  179   1H2*    A  16          1H2*        A  16  15.618  11.466   0.971
  180   2H2*    A  16          2H2*        A  16  16.241   9.834   0.631
  181   1H5*    C  17          1H5*        C  17  17.119   7.525   1.620
  182   2H5*    C  17          2H5*        C  17  18.580   6.776   0.950
  183    H4*    C  17           H4*        C  17  16.726   5.271   0.524
  184    H3*    C  17           H3*        C  17  18.123   6.514  -1.715
  185    H1*    C  17           H1*        C  17  14.289   5.491  -1.460
  186   1H4     C  17          1H4         C  17  10.493  10.188  -3.598
  187   2H4     C  17          2H4         C  17  11.654  11.416  -3.149
  188    H5     C  17           H5         C  17  13.824  10.909  -2.230
  189    H6     C  17           H6         C  17  15.326   9.123  -1.485
  190   1H2*    C  17          1H2*        C  17  16.305   7.099  -2.987
  191   2H2*    C  17          2H2*        C  17  15.922   5.356  -3.067
  192   1H5*    G  18          1H5*        G  18  16.047   2.616  -2.463
  193   2H5*    G  18          2H5*        G  18  17.074   1.349  -3.196
  194    H4*    G  18           H4*        G  18  14.773   1.285  -4.114
  195    H3*    G  18           H3*        G  18  17.092   1.683  -5.808
  196    H1*    G  18           H1*        G  18  13.482   3.215  -6.231
  197    H8     G  18           H8         G  18  16.340   5.825  -5.509
  198    H1     G  18           H1         G  18  10.917   8.229  -7.850
  199   1H2     G  18          1H2         G  18   9.442   6.561  -8.196
  200   2H2     G  18          2H2         G  18   9.825   4.891  -7.843
  201   1H2*    G  18          1H2*        G  18  16.399   3.606  -6.875
  202   2H2*    G  18          2H2*        G  18  15.178   2.566  -7.650
  203   1H5*    C  19          1H5*        C  19  16.225  -0.328 -10.129
  204   2H5*    C  19          2H5*        C  19  16.414   0.914  -8.897
  205    H4*    C  19           H4*        C  19  13.919  -0.326  -8.309
  206    H3*    C  19           H3*        C  19  14.264  -0.751 -11.083
  207    H1*    C  19           H1*        C  19  12.363   2.420  -9.622
  208   1H4     C  19          1H4         C  19  14.800   7.825 -12.054
  209   2H4     C  19          2H4         C  19  16.437   7.243 -11.852
  210    H5     C  19           H5         C  19  16.963   5.055 -10.979
  211    H6     C  19           H6         C  19  16.032   2.929 -10.186
  212   1H2*    C  19          1H2*        C  19  14.140   1.436 -11.836
  213   2H2*    C  19          2H2*        C  19  12.391   1.194 -11.584
  214   1H5*    T  20          1H5*        T  20   9.480  -1.464 -13.253
  215   2H5*    T  20          2H5*        T  20  10.913  -0.754 -14.028
  216    H4*    T  20           H4*        T  20   8.953   0.414 -14.814
  217    H3*    T  20           H3*        T  20  11.070   1.822 -13.693
  218   1H2*    T  20          1H2*        T  20  10.243   2.404 -11.612
  219   2H2*    T  20          2H2*        T  20   9.350   3.646 -12.531
  220    H1*    T  20           H1*        T  20   7.364   2.572 -12.243
  221    H3     T  20           H3         T  20   7.971   2.677  -7.595
  222   1H5M    T  20          1H5M        T  20   8.052  -1.978  -7.541
  223   2H5M    T  20          2H5M        T  20   7.323  -2.343  -9.122
  224   3H5M    T  20          3H5M        T  20   9.095  -2.265  -8.954
  225    H6     T  20           H6         T  20   8.206  -0.670 -11.061
  226   1H5*    T  21          1H5*        T  21   9.785   5.308 -14.457
  227   2H5*    T  21          2H5*        T  21   9.147   5.683 -16.073
  228    H4*    T  21           H4*        T  21  10.140   7.682 -14.832
  229    H3*    T  21           H3*        T  21  10.641   6.975 -17.597
  230   1H2*    T  21          1H2*        T  21  12.895   7.074 -17.692
  231   2H2*    T  21          2H2*        T  21  12.785   8.775 -17.166
  232    H1*    T  21           H1*        T  21  13.533   8.249 -15.073
  233    H3     T  21           H3         T  21  17.379   6.104 -16.448
  234   1H5M    T  21          1H5M        T  21  15.513   1.935 -15.550
  235   2H5M    T  21          2H5M        T  21  14.377   2.416 -14.269
  236   3H5M    T  21          3H5M        T  21  13.803   2.226 -15.945
  237    H6     T  21           H6         T  21  12.951   4.663 -15.185
  238   1H5*    G  22          1H5*        G  22   6.793  10.989 -17.402
  239   2H5*    G  22          2H5*        G  22   7.575  12.438 -16.740
  240    H4*    G  22           H4*        G  22   5.474  10.882 -15.604
  241    H3*    G  22           H3*        G  22   6.968  13.251 -14.772
  242    H1*    G  22           H1*        G  22   7.132   9.958 -12.424
  243    H8     G  22           H8         G  22   9.629  12.390 -14.190
  244    H1     G  22           H1         G  22  12.364   7.241 -11.625
  245   1H2     G  22          1H2         G  22  10.779   5.831 -10.868
  246   2H2     G  22          2H2         G  22   9.072   6.191 -11.002
  247   1H2*    G  22          1H2*        G  22   7.692  12.725 -12.695
  248   2H2*    G  22          2H2*        G  22   6.122  11.996 -12.297
  249   1H5*    C  23          1H5*        C  23   4.954   9.193 -13.715
  250   2H5*    C  23          2H5*        C  23   3.218   9.260 -13.363
  251    H4*    C  23           H4*        C  23   4.207   7.562 -11.943
  252    H3*    C  23           H3*        C  23   3.016   9.934 -10.696
  253    H1*    C  23           H1*        C  23   6.005   7.657  -9.512
  254   1H4     C  23          1H4         C  23  11.362  10.636  -7.787
  255   2H4     C  23          2H4         C  23  10.794  12.188  -8.358
  256    H5     C  23           H5         C  23   8.610  12.510  -9.356
  257    H6     C  23           H6         C  23   6.537  11.403 -10.052
  258   1H2*    C  23          1H2*        C  23   4.670  10.337  -9.151
  259   2H2*    C  23          2H2*        C  23   4.273   8.744  -8.455
  260   1H5*    G  24          1H5*        G  24   2.650   5.546  -8.703
  261   2H5*    G  24          2H5*        G  24   0.994   5.419  -8.042
  262    H4*    G  24           H4*        G  24   2.560   4.133  -6.648
  263    H3*    G  24           H3*        G  24   1.210   6.486  -5.545
  264    H1*    G  24           H1*        G  24   4.841   5.042  -4.685
  265    H8     G  24           H8         G  24   4.120   8.757  -5.614
  266    H1     G  24           H1         G  24  10.197   7.696  -4.058
  267   1H2     G  24          1H2         G  24  10.560   5.512  -3.772
  268   2H2     G  24          2H2         G  24   9.296   4.317  -3.958
  269   1H2*    G  24          1H2*        G  24   2.900   7.289  -4.267
  270   2H2*    G  24          2H2*        G  24   3.001   5.705  -3.464
  271   1H5*    C  25          1H5*        C  25  -2.007   7.526  -4.667
  272   2H5*    C  25          2H5*        C  25  -1.536   6.977  -3.042
  273    H4*    C  25           H4*        C  25  -3.680   5.620  -4.756
  274    H3*    C  25           H3*        C  25  -3.925   8.043  -3.171
  275    H1*    C  25           H1*        C  25  -5.108   4.385  -2.075
  276   1H4     C  25          1H4         C  25  -3.186   4.086   4.107
  277   2H4     C  25          2H4         C  25  -1.526   4.107   3.558
  278    H5     C  25           H5         C  25  -0.900   4.455   1.258
  279    H6     C  25           H6         C  25  -1.720   4.794  -1.030
  280   1H2*    C  25          1H2*        C  25  -4.439   7.142  -1.154
  281   2H2*    C  25          2H2*        C  25  -5.935   6.536  -1.913
  282   1H5*    C  26          1H5*        C  26  -8.336   6.837  -3.934
  283   2H5*    C  26          2H5*        C  26  -9.090   8.189  -4.810
  284    H4*    C  26           H4*        C  26 -10.498   7.458  -2.883
  285    H3*    C  26           H3*        C  26  -9.548  10.195  -3.228
  286    H1*    C  26           H1*        C  26  -9.986   8.230   0.231
  287   1H4     C  26          1H4         C  26  -4.657   9.088   3.679
  288   2H4     C  26          2H4         C  26  -3.698   9.381   2.244
  289    H5     C  26           H5         C  26  -4.629   9.446   0.024
  290    H6     C  26           H6         C  26  -6.668   9.171  -1.318
  291   1H2*    C  26          1H2*        C  26  -8.838  10.639  -1.107
  292   2H2*    C  26          2H2*        C  26 -10.504  10.311  -0.561
  293   1H5*    A  27          1H5*        A  27 -13.528   9.739  -0.674
  294   2H5*    A  27          2H5*        A  27 -14.661  10.989  -1.239
  295    H4*    A  27           H4*        A  27 -14.755  10.747   1.236
  296    H3*    A  27           H3*        A  27 -14.163  13.282  -0.087
  297    H1*    A  27           H1*        A  27 -12.670  11.943   3.368
  298    H8     A  27           H8         A  27 -10.349  12.648   0.277
  299   1H6     A  27          1H6         A  27  -5.718  12.705   4.320
  300   2H6     A  27          2H6         A  27  -6.159  12.865   2.635
  301    H2     A  27           H2         A  27  -9.524  11.933   6.591
  302   1H2*    A  27          1H2*        A  27 -12.400  13.970   1.188
  303   2H2*    A  27          2H2*        A  27 -13.496  13.928   2.592
  304   1H5*    C  28          1H5*        C  28 -16.044  13.481   4.087
  305   2H5*    C  28          2H5*        C  28 -16.791  15.003   4.610
  306    H4*    C  28           H4*        C  28 -14.820  13.998   6.025
  307    H3*    C  28           H3*        C  28 -15.319  16.853   5.368
  308    H1*    C  28           H1*        C  28 -12.029  14.816   6.081
  309   1H4     C  28          1H4         C  28  -7.209  17.019   2.554
  310   2H4     C  28          2H4         C  28  -8.242  17.304   1.171
  311    H5     C  28           H5         C  28 -10.641  16.900   1.207
  312    H6     C  28           H6         C  28 -12.545  16.194   2.601
  313   1H2*    C  28          1H2*        C  28 -13.131  17.444   5.128
  314   2H2*    C  28          2H2*        C  28 -12.834  16.856   6.787
  315   1H5*    T  29          1H5*        T  29 -14.116  18.218  10.873
  316   2H5*    T  29          2H5*        T  29 -13.492  19.263   9.576
  317    H4*    T  29           H4*        T  29 -11.708  18.925  11.203
  318    H3*    T  29           H3*        T  29 -11.339  18.264   8.493
  319   1H2*    T  29          1H2*        T  29 -11.327  15.941   8.649
  320   2H2*    T  29          2H2*        T  29  -9.635  16.224   9.159
  321    H1*    T  29           H1*        T  29 -10.103  15.863  11.385
  322    H3     T  29           H3         T  29 -10.818  11.371  10.698
  323   1H5M    T  29          1H5M        T  29 -15.434  11.958  10.453
  324   2H5M    T  29          2H5M        T  29 -15.612  13.488  11.344
  325   3H5M    T  29          3H5M        T  29 -15.494  13.499   9.567
  326    H6     T  29           H6         T  29 -13.662  15.266  10.643
  327   1H5*    T  30          1H5*        T  30  -7.402  18.378   9.933
  328   2H5*    T  30          2H5*        T  30  -6.753  19.637  11.006
  329    H4*    T  30           H4*        T  30  -4.991  18.591   9.529
  330    H3*    T  30           H3*        T  30  -5.296  21.376   9.957
  331   1H2*    T  30          1H2*        T  30  -5.901  22.086   7.855
  332   2H2*    T  30          2H2*        T  30  -4.193  21.762   7.444
  333    H1*    T  30           H1*        T  30  -4.714  19.837   6.291
  334    H3     T  30           H3         T  30  -7.248  22.406   3.330
  335   1H5M    T  30          1H5M        T  30 -11.137  20.371   4.887
  336   2H5M    T  30          2H5M        T  30 -10.436  18.822   5.405
  337   3H5M    T  30          3H5M        T  30 -10.739  20.107   6.600
  338    H6     T  30           H6         T  30  -8.183  19.424   7.004
  339   1H5*    G  31          1H5*        G  31  -0.360  19.084  11.964
  340   2H5*    G  31          2H5*        G  31   0.226  18.756  10.314
  341    H4*    G  31           H4*        G  31  -2.240  17.754  11.802
  342    H3*    G  31           H3*        G  31   0.116  16.464  10.648
  343    H1*    G  31           H1*        G  31  -3.662  16.182   9.598
  344    H8     G  31           H8         G  31  -1.230  17.573   6.817
  345    H1     G  31           H1         G  31  -7.185  16.252   4.950
  346   1H2     G  31          1H2         G  31  -8.360  15.483   6.722
  347   2H2     G  31          2H2         G  31  -7.644  15.316   8.308
  348   1H2*    G  31          1H2*        G  31  -0.822  15.853   8.639
  349   2H2*    G  31          2H2*        G  31  -1.848  14.756   9.600
  350   1H5*    T  32          1H5*        T  32  -3.106  14.329  13.511
  351   2H5*    T  32          2H5*        T  32  -2.462  12.830  14.214
  352    H4*    T  32           H4*        T  32  -4.976  12.783  13.882
  353    H3*    T  32           H3*        T  32  -3.178  10.672  12.990
  354   1H2*    T  32          1H2*        T  32  -3.994  10.372  10.882
  355   2H2*    T  32          2H2*        T  32  -5.546   9.961  11.655
  356    H1*    T  32           H1*        T  32  -6.492  11.963  11.190
  357    H3     T  32           H3         T  32  -6.647  12.359   6.684
  358   1H5M    T  32          1H5M        T  32  -1.391  12.650   8.095
  359   2H5M    T  32          2H5M        T  32  -1.988  13.999   7.106
  360   3H5M    T  32          3H5M        T  32  -1.906  12.368   6.418
  361    H6     T  32           H6         T  32  -3.020  12.521   9.853
  362   1H5*    G  33          1H5*        G  33  -7.561   9.491  13.846
  363   2H5*    G  33          2H5*        G  33  -7.659   7.996  14.820
  364    H4*    G  33           H4*        G  33  -9.416   8.142  13.029
  365    H3*    G  33           H3*        G  33  -7.582   5.900  13.291
  366    H1*    G  33           H1*        G  33  -9.005   7.464   9.912
  367    H8     G  33           H8         G  33  -5.164   7.698  10.692
  368    H1     G  33           H1         G  33  -6.711   8.399   4.549
  369   1H2     G  33          1H2         G  33  -8.929   8.148   4.287
  370   2H2     G  33          2H2         G  33  -9.997   7.823   5.634
  371   1H2*    G  33          1H2*        G  33  -6.893   5.721  11.116
  372   2H2*    G  33          2H2*        G  33  -8.590   5.358  10.704
  373   1H5*    G  34          1H5*        G  34 -11.257   5.584  10.799
  374   2H5*    G  34          2H5*        G  34 -12.357   4.292  11.358
  375    H4*    G  34           H4*        G  34 -12.577   4.581   8.932
  376    H3*    G  34           H3*        G  34 -11.603   2.072  10.026
  377    H1*    G  34           H1*        G  34 -10.523   3.807   6.612
  378    H8     G  34           H8         G  34  -7.863   3.278   9.438
  379    H1     G  34           H1         G  34  -5.391   4.387   3.667
  380   1H2     G  34          1H2         G  34  -7.035   4.653   2.162
  381   2H2     G  34          2H2         G  34  -8.726   4.562   2.599
  382   1H2*    G  34          1H2*        G  34  -9.783   1.765   8.682
  383   2H2*    G  34          2H2*        G  34 -10.927   1.660   7.327
  384   1H5*    T  35          1H5*        T  35 -14.932   2.128   6.347
  385   2H5*    T  35          2H5*        T  35 -15.666   0.512   6.263
  386    H4*    T  35           H4*        T  35 -15.423   1.653   4.008
  387    H3*    T  35           H3*        T  35 -14.520  -1.080   4.609
  388   1H2*    T  35          1H2*        T  35 -12.490  -1.007   3.622
  389   2H2*    T  35          2H2*        T  35 -13.321  -0.670   2.085
  390    H1*    T  35           H1*        T  35 -12.862   1.580   2.165
  391    H3     T  35           H3         T  35  -8.328   1.942   1.912
  392   1H5M    T  35          1H5M        T  35  -9.464  -0.427   6.699
  393   2H5M    T  35          2H5M        T  35  -8.275   0.891   6.737
  394   3H5M    T  35          3H5M        T  35  -7.891  -0.620   5.891
  395    H6     T  35           H6         T  35 -11.289   0.357   5.369
  396   1H5*    G  36          1H5*        G  36 -14.918  -0.620   0.005
  397   2H5*    G  36          2H5*        G  36 -15.964  -1.956  -0.548
  398    H4*    G  36           H4*        G  36 -13.884  -1.575  -1.957
  399    H3*    G  36           H3*        G  36 -14.692  -4.141  -0.847
  400    H1*    G  36           H1*        G  36 -10.951  -2.790  -1.254
  401    H8     G  36           H8         G  36 -12.506  -3.169   2.307
  402    H1     G  36           H1         G  36  -6.160  -3.794   2.121
  403   1H2     G  36          1H2         G  36  -5.451  -3.700  -0.012
  404   2H2     G  36          2H2         G  36  -6.549  -3.471  -1.355
  405   1H2*    G  36          1H2*        G  36 -12.709  -4.812   0.063
  406   2H2*    G  36          2H2*        G  36 -12.038  -4.772  -1.587
  407   1H5*    C  37          1H5*        C  37 -11.813  -3.945  -4.338
  408   2H5*    C  37          2H5*        C  37 -12.321  -4.960  -5.708
  409    H4*    C  37           H4*        C  37  -9.836  -4.863  -5.518
  410    H3*    C  37           H3*        C  37 -11.336  -7.372  -5.508
  411    H1*    C  37           H1*        C  37  -7.996  -6.523  -3.490
  412   1H4     C  37          1H4         C  37  -8.642  -8.336   2.609
  413   2H4     C  37          2H4         C  37 -10.387  -8.267   2.519
  414    H5     C  37           H5         C  37 -11.587  -7.719   0.496
  415    H6     C  37           H6         C  37 -11.369  -7.124  -1.877
  416   1H2*    C  37          1H2*        C  37 -10.261  -8.445  -3.798
  417   2H2*    C  37          2H2*        C  37  -8.759  -8.273  -4.738
  418   1H5*    A  38          1H5*        A  38  -6.902  -7.438  -7.053
  419   2H5*    A  38          2H5*        A  38  -6.801  -8.400  -8.546
  420    H4*    A  38           H4*        A  38  -4.796  -8.742  -7.101
  421    H3*    A  38           H3*        A  38  -6.477 -10.930  -8.038
  422    H1*    A  38           H1*        A  38  -4.612 -10.655  -4.522
  423    H8     A  38           H8         A  38  -8.535 -10.704  -4.674
  424   1H6     A  38          1H6         A  38  -8.294 -12.295   1.260
  425   2H6     A  38          2H6         A  38  -9.345 -11.902  -0.083
  426    H2     A  38           H2         A  38  -4.072 -11.959  -0.257
  427   1H2*    A  38          1H2*        A  38  -6.735 -12.074  -6.073
  428   2H2*    A  38          2H2*        A  38  -4.967 -12.295  -6.071
  429   1H5*    G  39          1H5*        G  39  -2.360 -11.623  -6.491
  430   2H5*    G  39          2H5*        G  39  -1.297 -12.501  -7.627
  431    H4*    G  39           H4*        G  39  -0.697 -13.016  -5.293
  432    H3*    G  39           H3*        G  39  -1.579 -15.110  -7.105
  433    H1*    G  39           H1*        G  39  -2.193 -14.847  -3.194
  434    H8     G  39           H8         G  39  -5.331 -14.652  -5.546
  435    H1     G  39           H1         G  39  -6.595 -16.254   0.499
  436   1H2     G  39          1H2         G  39  -4.672 -16.418   1.657
  437   2H2     G  39          2H2         G  39  -3.112 -16.117   0.925
  438   1H2*    G  39          1H2*        G  39  -3.131 -16.118  -5.747
  439   2H2*    G  39          2H2*        G  39  -1.764 -16.546  -4.684
  440   1H5*    T  40          1H5*        T  40   0.582 -16.074  -3.367
  441   2H5*    T  40          2H5*        T  40   2.005 -17.131  -3.528
  442    H4*    T  40           H4*        T  40   0.765 -17.595  -1.417
  443    H3*    T  40           H3*        T  40   1.134 -19.644  -3.525
  444   1H2*    T  40          1H2*        T  40  -0.860 -20.757  -3.175
  445   2H2*    T  40          2H2*        T  40  -0.404 -20.955  -1.458
  446    H1*    T  40           H1*        T  40  -1.638 -19.138  -0.761
  447    H3     T  40           H3         T  40  -5.954 -20.245  -1.374
  448   1H5M    T  40          1H5M        T  40  -4.097 -19.749  -6.349
  449   2H5M    T  40          2H5M        T  40  -4.763 -18.150  -5.965
  450   3H5M    T  40          3H5M        T  40  -5.828 -19.569  -5.983
  451    H6     T  40           H6         T  40  -2.450 -19.011  -4.446
  452   1H5*    G  41          1H5*        G  41   1.286 -20.839   0.994
  453   2H5*    G  41          2H5*        G  41   2.500 -22.120   1.275
  454    H4*    G  41           H4*        G  41   0.451 -22.456   2.637
  455    H3*    G  41           H3*        G  41   1.198 -24.443   0.546
  456    H1*    G  41           H1*        G  41  -2.377 -23.440   1.995
  457    H8     G  41           H8         G  41  -1.364 -23.201  -1.780
  458    H1     G  41           H1         G  41  -7.593 -24.037  -0.717
  459   1H2     G  41          1H2         G  41  -7.957 -24.299   1.490
  460   2H2     G  41          2H2         G  41  -6.658 -24.251   2.659
  461   1H2*    G  41          1H2*        G  41  -0.900 -25.253   0.178
  462   2H2*    G  41          2H2*        G  41  -1.183 -25.378   1.934
  463   1H5*    C  42          1H5*        C  42  -0.606 -25.473   4.501
  464   2H5*    C  42          2H5*        C  42   0.187 -26.822   5.349
  465    H4*    C  42           H4*        C  42  -2.262 -26.834   5.754
  466    H3*    C  42           H3*        C  42  -0.932 -29.102   4.357
  467    H1*    C  42           H1*        C  42  -4.663 -27.743   3.870
  468   1H4     C  42          1H4         C  42  -5.333 -28.521  -2.450
  469   2H4     C  42          2H4         C  42  -3.612 -28.356  -2.716
  470    H5     C  42           H5         C  42  -2.020 -28.057  -0.927
  471    H6     C  42           H6         C  42  -1.732 -27.864   1.505
  472   1H2*    C  42          1H2*        C  42  -2.768 -29.897   3.271
  473   2H2*    C  42          2H2*        C  42  -3.775 -29.661   4.725
  474   1HN1  NCO  43          1HN1      NCO  43   6.707  10.218   4.606
  475   2HN1  NCO  43          2HN1      NCO  43   7.049   9.438   3.233
  476   3HN1  NCO  43          3HN1      NCO  43   7.164  11.054   3.295
  477   1HN2  NCO  43          1HN2      NCO  43   2.405   9.772   2.103
  478   2HN2  NCO  43          2HN2      NCO  43   2.177  10.751   3.375
  479   3HN2  NCO  43          3HN2      NCO  43   2.581  11.374   1.939
  480   1HN3  NCO  43          1HN3      NCO  43   3.306   8.659   4.282
  481   2HN3  NCO  43          2HN3      NCO  43   4.879   8.323   4.481
  482   3HN3  NCO  43          3HN3      NCO  43   4.180   9.470   5.379
  483   1HN4  NCO  43          1HN4      NCO  43   4.003  11.633   5.218
  484   2HN4  NCO  43          2HN4      NCO  43   5.331  12.351   4.628
  485   3HN4  NCO  43          3HN4      NCO  43   3.878  12.669   3.984
  486   1HN5  NCO  43          1HN5      NCO  43   5.513  12.636   2.040
  487   2HN5  NCO  43          2HN5      NCO  43   5.973  11.415   1.078
  488   3HN5  NCO  43          3HN5      NCO  43   4.454  11.967   1.012
  489   1HN6  NCO  43          1HN6      NCO  43   5.864   8.707   1.565
  490   2HN6  NCO  43          2HN6      NCO  43   4.412   8.123   1.986
  491   3HN6  NCO  43          3HN6      NCO  43   4.534   9.232   0.809
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1 -15.827 -30.405  -5.268
    2   2H5*    G   1          2H5*        G   1 -16.934 -29.021  -5.046
    3    H4*    G   1           H4*        G   1 -16.354 -29.935  -2.855
    4    H3*    G   1           H3*        G   1 -15.407 -27.267  -3.605
    5    H1*    G   1           H1*        G   1 -13.277 -29.927  -1.432
    6    H8     G   1           H8         G   1 -12.546 -29.304  -5.154
    7    H1     G   1           H1         G   1  -7.326 -29.019  -1.490
    8   1H2     G   1          1H2         G   1  -7.913 -29.130   0.679
    9   2H2     G   1          2H2         G   1  -9.580 -29.270   1.191
   10   1H2*    G   1          1H2*        G   1 -13.363 -27.258  -2.624
   11   2H2*    G   1          2H2*        G   1 -14.092 -27.821  -1.096
   12   1H5*    C   2          1H5*        C   2 -15.882 -27.905   0.862
   13   2H5*    C   2          2H5*        C   2 -16.752 -26.567   1.650
   14    H4*    C   2           H4*        C   2 -14.690 -27.328   2.913
   15    H3*    C   2           H3*        C   2 -15.218 -24.537   2.102
   16    H1*    C   2           H1*        C   2 -11.637 -26.347   2.278
   17   1H4     C   2          1H4         C   2  -8.821 -23.982  -2.953
   18   2H4     C   2          2H4         C   2 -10.340 -23.915  -3.819
   19    H5     C   2           H5         C   2 -12.458 -24.523  -2.819
   20    H6     C   2           H6         C   2 -13.570 -25.309  -0.772
   21   1H2*    C   2          1H2*        C   2 -13.085 -23.850   1.760
   22   2H2*    C   2          2H2*        C   2 -12.589 -24.564   3.317
   23   1H5*    A   3          1H5*        A   3 -12.677 -25.186   6.007
   24   2H5*    A   3          2H5*        A   3 -13.235 -24.024   7.235
   25    H4*    A   3           H4*        A   3 -10.742 -24.190   7.173
   26    H3*    A   3           H3*        A   3 -12.171 -21.636   6.689
   27    H1*    A   3           H1*        A   3  -8.696 -22.839   5.084
   28    H8     A   3           H8         A   3 -12.025 -22.072   3.208
   29   1H6     A   3          1H6         A   3  -8.484 -20.568  -1.599
   30   2H6     A   3          2H6         A   3 -10.126 -20.810  -1.046
   31    H2     A   3           H2         A   3  -5.791 -21.471   1.885
   32   1H2*    A   3          1H2*        A   3 -10.605 -20.634   5.378
   33   2H2*    A   3          2H2*        A   3  -9.306 -21.155   6.485
   34   1H5*    C   4          1H5*        C   4  -8.070 -21.571   8.914
   35   2H5*    C   4          2H5*        C   4  -8.077 -20.346  10.206
   36    H4*    C   4           H4*        C   4  -5.957 -20.345   8.825
   37    H3*    C   4           H3*        C   4  -7.678 -17.948   9.201
   38    H1*    C   4           H1*        C   4  -5.491 -18.890   5.988
   39   1H4     C   4          1H4         C   4  -9.403 -16.887   1.346
   40   2H4     C   4          2H4         C   4 -10.822 -17.185   2.326
   41    H5     C   4           H5         C   4 -10.710 -17.952   4.615
   42    H6     C   4           H6         C   4  -9.216 -18.616   6.447
   43   1H2*    C   4          1H2*        C   4  -7.086 -16.848   7.312
   44   2H2*    C   4          2H2*        C   4  -5.372 -17.255   7.549
   45   1H5*    T   5          1H5*        T   5  -3.124 -17.532   8.990
   46   2H5*    T   5          2H5*        T   5  -2.479 -16.289  10.085
   47    H4*    T   5           H4*        T   5  -1.428 -16.294   7.773
   48    H3*    T   5           H3*        T   5  -2.416 -13.925   9.160
   49   1H2*    T   5          1H2*        T   5  -3.672 -13.008   7.489
   50   2H2*    T   5          2H2*        T   5  -2.137 -12.852   6.587
   51    H1*    T   5           H1*        T   5  -2.565 -14.651   5.253
   52    H3     T   5           H3         T   5  -6.186 -13.484   2.816
   53   1H5M    T   5          1H5M        T   5  -7.917 -14.381   7.910
   54   2H5M    T   5          2H5M        T   5  -8.845 -15.134   6.595
   55   3H5M    T   5          3H5M        T   5  -8.849 -13.371   6.785
   56    H6     T   5           H6         T   5  -5.617 -14.693   7.441
   57   1H5*    G   6          1H5*        G   6   0.890 -13.197   6.127
   58   2H5*    G   6          2H5*        G   6   2.192 -12.110   6.682
   59    H4*    G   6           H4*        G   6   1.474 -11.709   4.302
   60    H3*    G   6           H3*        G   6   1.550  -9.620   6.333
   61    H1*    G   6           H1*        G   6  -1.041 -10.011   3.332
   62    H8     G   6           H8         G   6  -2.336 -10.363   7.014
   63    H1     G   6           H1         G   6  -6.800  -8.798   2.741
   64   1H2     G   6          1H2         G   6  -5.863  -8.529   0.720
   65   2H2     G   6          2H2         G   6  -4.148  -8.747   0.450
   66   1H2*    G   6          1H2*        G   6  -0.510  -8.683   5.961
   67   2H2*    G   6          2H2*        G   6   0.073  -8.280   4.327
   68   1H5*    C   7          1H5*        C   7   1.284  -8.845   2.035
   69   2H5*    C   7          2H5*        C   7   2.698  -7.990   1.375
   70    H4*    C   7           H4*        C   7   0.776  -7.500  -0.043
   71    H3*    C   7           H3*        C   7   2.110  -5.364   1.415
   72    H1*    C   7           H1*        C   7  -1.770  -5.673   0.566
   73   1H4     C   7          1H4         C   7  -5.388  -4.700   5.737
   74   2H4     C   7          2H4         C   7  -4.067  -5.057   6.827
   75    H5     C   7           H5         C   7  -1.834  -5.589   6.065
   76    H6     C   7           H6         C   7  -0.397  -5.895   4.100
   77   1H2*    C   7          1H2*        C   7   0.276  -4.275   2.248
   78   2H2*    C   7          2H2*        C   7  -0.208  -3.987   0.557
   79   1H5*    A   8          1H5*        A   8   0.275  -4.021  -2.869
   80   2H5*    A   8          2H5*        A   8   1.600  -3.137  -3.666
   81    H4*    A   8           H4*        A   8  -0.561  -2.021  -4.113
   82    H3*    A   8           H3*        A   8   1.637  -0.669  -2.743
   83    H1*    A   8           H1*        A   8  -2.292  -0.171  -2.156
   84    H8     A   8           H8         A   8   0.286  -1.043   0.680
   85   1H6     A   8          1H6         A   8  -4.415  -0.637   4.575
   86   2H6     A   8          2H6         A   8  -2.696  -0.905   4.397
   87    H2     A   8           H2         A   8  -6.021   0.059   0.408
   88   1H2*    A   8          1H2*        A   8   0.460   0.485  -1.188
   89   2H2*    A   8          2H2*        A   8  -0.489   1.206  -2.510
   90   1H5*    T   9          1H5*        T   9   2.502   4.183  -3.648
   91   2H5*    T   9          2H5*        T   9   3.105   3.458  -5.147
   92    H4*    T   9           H4*        T   9   4.456   1.840  -3.824
   93    H3*    T   9           H3*        T   9   2.864   2.820  -1.574
   94   1H2*    T   9          1H2*        T   9   4.439   4.037  -0.507
   95   2H2*    T   9          2H2*        T   9   5.487   2.598  -0.494
   96    H1*    T   9           H1*        T   9   6.764   3.337  -2.204
   97    H3     T   9           H3         T   9   8.305   7.314  -0.503
   98   1H5M    T   9          1H5M        T   9   3.357   8.476  -1.884
   99   2H5M    T   9          2H5M        T   9   4.161   8.647  -3.454
  100   3H5M    T   9          3H5M        T   9   4.634   9.693  -2.100
  101    H6     T   9           H6         T   9   4.242   6.018  -2.741
  102   1H5*    C  10          1H5*        C  10   6.206   0.093  -1.216
  103   2H5*    C  10          2H5*        C  10   6.076  -1.440  -0.325
  104    H4*    C  10           H4*        C  10   8.360  -0.367  -0.123
  105    H3*    C  10           H3*        C  10   6.747  -1.287   2.107
  106    H1*    C  10           H1*        C  10   9.008   2.030   2.077
  107   1H4     C  10          1H4         C  10   5.296   6.888   4.026
  108   2H4     C  10          2H4         C  10   3.853   6.096   3.432
  109    H5     C  10           H5         C  10   3.873   3.908   2.395
  110    H6     C  10           H6         C  10   5.252   1.963   1.855
  111   1H2*    C  10          1H2*        C  10   6.833   0.534   3.467
  112   2H2*    C  10          2H2*        C  10   8.601   0.297   3.523
  113   1H5*    C  11          1H5*        C  11  11.581  -1.829   3.487
  114   2H5*    C  11          2H5*        C  11  11.486  -2.601   5.079
  115    H4*    C  11           H4*        C  11  12.375  -0.009   4.629
  116    H3*    C  11           H3*        C  11  11.582  -1.467   7.054
  117    H1*    C  11           H1*        C  11  10.728   2.266   6.003
  118   1H4     C  11          1H4         C  11   4.668   3.489   7.581
  119   2H4     C  11          2H4         C  11   4.156   1.865   7.179
  120    H5     C  11           H5         C  11   5.683   0.155   6.386
  121    H6     C  11           H6         C  11   8.036  -0.378   5.900
  122   1H2*    C  11          1H2*        C  11  10.067   0.020   7.861
  123   2H2*    C  11          2H2*        C  11  11.379   1.221   7.932
  124   1H5*    T  12          1H5*        T  12  14.717   1.859  10.340
  125   2H5*    T  12          2H5*        T  12  13.108   1.438  10.973
  126    H4*    T  12           H4*        T  12  13.568   3.871  11.290
  127    H3*    T  12           H3*        T  12  11.255   2.873   9.866
  128   1H2*    T  12          1H2*        T  12  11.298   4.148   7.992
  129   2H2*    T  12          2H2*        T  12  11.178   5.584   9.044
  130    H1*    T  12           H1*        T  12  13.383   6.103   8.742
  131    H3     T  12           H3         T  12  13.025   6.304   4.133
  132   1H5M    T  12          1H5M        T  12  15.145   2.183   3.682
  133   2H5M    T  12          2H5M        T  12  16.138   2.223   5.157
  134   3H5M    T  12          3H5M        T  12  14.588   1.344   5.149
  135    H6     T  12           H6         T  12  14.473   2.960   7.294
  136   1H5*    T  13          1H5*        T  13   9.450   6.280  11.558
  137   2H5*    T  13          2H5*        T  13   9.445   6.392  13.336
  138    H4*    T  13           H4*        T  13   7.376   7.417  12.342
  139    H3*    T  13           H3*        T  13   7.339   5.389  14.405
  140   1H2*    T  13          1H2*        T  13   5.880   3.903  13.531
  141   2H2*    T  13          2H2*        T  13   4.658   5.202  13.571
  142    H1*    T  13           H1*        T  13   4.784   5.528  11.311
  143    H3     T  13           H3         T  13   3.641   1.329   9.884
  144   1H5M    T  13          1H5M        T  13   8.103  -0.021   9.656
  145   2H5M    T  13          2H5M        T  13   8.940   1.549   9.634
  146   3H5M    T  13          3H5M        T  13   8.669   0.704  11.179
  147    H6     T  13           H6         T  13   7.802   3.388  11.188
  148   1H5*    G  14          1H5*        G  14   6.929  11.183  15.076
  149   2H5*    G  14          2H5*        G  14   5.591  11.540  13.957
  150    H4*    G  14           H4*        G  14   8.502  10.999  13.465
  151    H3*    G  14           H3*        G  14   6.644  12.925  12.489
  152    H1*    G  14           H1*        G  14   8.147   9.997  10.280
  153    H8     G  14           H8         G  14   4.270   9.866  10.959
  154    H1     G  14           H1         G  14   6.619   5.065   7.493
  155   1H2     G  14          1H2         G  14   8.848   5.325   7.277
  156   2H2     G  14          2H2         G  14   9.699   6.678   7.987
  157   1H2*    G  14          1H2*        G  14   5.745  11.744  10.718
  158   2H2*    G  14          2H2*        G  14   7.302  12.101   9.924
  159   1H5*    G  15          1H5*        G  15  11.014  12.331  11.144
  160   2H5*    G  15          2H5*        G  15  11.879  13.816  10.667
  161    H4*    G  15           H4*        G  15  12.807  11.742   9.606
  162    H3*    G  15           H3*        G  15  11.914  14.045   8.064
  163    H1*    G  15           H1*        G  15  11.637  10.191   7.065
  164    H8     G  15           H8         G  15   8.392  12.343   7.552
  165    H1     G  15           H1         G  15   7.512   6.861   4.410
  166   1H2     G  15          1H2         G  15   9.462   5.770   4.211
  167   2H2     G  15          2H2         G  15  10.958   6.406   4.856
  168   1H2*    G  15          1H2*        G  15  10.665  12.962   6.477
  169   2H2*    G  15          2H2*        G  15  12.167  12.141   5.980
  170   1H5*    A  16          1H5*        A  16  15.093  11.148   6.967
  171   2H5*    A  16          2H5*        A  16  16.607  11.679   6.202
  172    H4*    A  16           H4*        A  16  15.880   9.384   5.461
  173    H3*    A  16           H3*        A  16  16.573  11.555   3.643
  174    H1*    A  16           H1*        A  16  13.873   8.698   3.160
  175    H8     A  16           H8         A  16  12.511  12.357   3.435
  176   1H6     A  16          1H6         A  16   7.656  10.305   0.253
  177   2H6     A  16          2H6         A  16   8.379  11.693   1.037
  178    H2     A  16           H2         A  16  10.532   6.878   0.783
  179   1H2*    A  16          1H2*        A  16  14.739  11.439   2.271
  180   2H2*    A  16          2H2*        A  16  15.339   9.833   1.791
  181   1H5*    C  17          1H5*        C  17  15.976   7.371   2.766
  182   2H5*    C  17          2H5*        C  17  17.475   6.558   2.274
  183    H4*    C  17           H4*        C  17  15.638   5.194   1.493
  184    H3*    C  17           H3*        C  17  17.374   6.506  -0.463
  185    H1*    C  17           H1*        C  17  13.492   5.665  -0.757
  186   1H4     C  17          1H4         C  17  10.323  10.680  -3.179
  187   2H4     C  17          2H4         C  17  11.495  11.810  -2.540
  188    H5     C  17           H5         C  17  13.457  11.129  -1.321
  189    H6     C  17           H6         C  17  14.724   9.219  -0.455
  190   1H2*    C  17          1H2*        C  17  15.765   7.221  -1.932
  191   2H2*    C  17          2H2*        C  17  15.313   5.509  -2.138
  192   1H5*    G  18          1H5*        G  18  15.255   2.777  -1.556
  193   2H5*    G  18          2H5*        G  18  16.246   1.443  -2.216
  194    H4*    G  18           H4*        G  18  14.003   1.564  -3.290
  195    H3*    G  18           H3*        G  18  16.475   1.718  -4.808
  196    H1*    G  18           H1*        G  18  13.052   3.563  -5.528
  197    H8     G  18           H8         G  18  16.012   5.919  -4.453
  198    H1     G  18           H1         G  18  11.308   8.715  -7.730
  199   1H2     G  18          1H2         G  18   9.780   7.169  -8.316
  200   2H2     G  18          2H2         G  18   9.953   5.481  -7.892
  201   1H2*    G  18          1H2*        G  18  16.027   3.657  -5.975
  202   2H2*    G  18          2H2*        G  18  14.766   2.706  -6.804
  203   1H5*    C  19          1H5*        C  19  16.004  -0.261  -9.059
  204   2H5*    C  19          2H5*        C  19  16.068   0.964  -7.796
  205    H4*    C  19           H4*        C  19  13.455  -0.079  -7.571
  206    H3*    C  19           H3*        C  19  14.143  -0.720 -10.228
  207    H1*    C  19           H1*        C  19  12.331   2.697  -9.288
  208   1H4     C  19          1H4         C  19  15.617   7.741 -11.457
  209   2H4     C  19          2H4         C  19  17.145   6.994 -11.053
  210    H5     C  19           H5         C  19  17.327   4.790 -10.093
  211    H6     C  19           H6         C  19  16.087   2.798  -9.386
  212   1H2*    C  19          1H2*        C  19  14.331   1.411 -11.122
  213   2H2*    C  19          2H2*        C  19  12.549   1.326 -11.133
  214   1H5*    T  20          1H5*        T  20   9.453  -1.013 -12.885
  215   2H5*    T  20          2H5*        T  20  10.986  -0.478 -13.609
  216    H4*    T  20           H4*        T  20   9.163   0.876 -14.492
  217    H3*    T  20           H3*        T  20  11.415   2.048 -13.331
  218   1H2*    T  20          1H2*        T  20  10.635   2.894 -11.348
  219   2H2*    T  20          2H2*        T  20   9.821   4.118 -12.356
  220    H1*    T  20           H1*        T  20   7.776   3.229 -11.911
  221    H3     T  20           H3         T  20   8.719   3.184  -7.273
  222   1H5M    T  20          1H5M        T  20   7.889  -1.398  -7.295
  223   2H5M    T  20          2H5M        T  20   6.992  -1.547  -8.823
  224   3H5M    T  20          3H5M        T  20   8.747  -1.858  -8.785
  225    H6     T  20           H6         T  20   8.141  -0.060 -10.795
  226   1H5*    T  21          1H5*        T  21  10.653   5.577 -14.304
  227   2H5*    T  21          2H5*        T  21  10.144   5.974 -15.958
  228    H4*    T  21           H4*        T  21  11.314   7.857 -14.701
  229    H3*    T  21           H3*        T  21  11.799   7.080 -17.434
  230   1H2*    T  21          1H2*        T  21  14.047   6.771 -17.440
  231   2H2*    T  21          2H2*        T  21  14.202   8.493 -16.998
  232    H1*    T  21           H1*        T  21  14.780   7.974 -14.847
  233    H3     T  21           H3         T  21  18.307   5.261 -16.150
  234   1H5M    T  21          1H5M        T  21  15.906   1.441 -14.996
  235   2H5M    T  21          2H5M        T  21  14.892   2.144 -13.714
  236   3H5M    T  21          3H5M        T  21  14.239   1.947 -15.359
  237    H6     T  21           H6         T  21  13.752   4.511 -14.748
  238   1H5*    G  22          1H5*        G  22   8.852  11.724 -17.771
  239   2H5*    G  22          2H5*        G  22   9.747  13.006 -16.928
  240    H4*    G  22           H4*        G  22   7.241  11.793 -16.225
  241    H3*    G  22           H3*        G  22   8.822  13.994 -15.211
  242    H1*    G  22           H1*        G  22   8.334  10.766 -12.785
  243    H8     G  22           H8         G  22  11.319  12.753 -14.340
  244    H1     G  22           H1         G  22  13.045   7.399 -11.353
  245   1H2     G  22          1H2         G  22  11.219   6.236 -10.741
  246   2H2     G  22          2H2         G  22   9.598   6.806 -11.068
  247   1H2*    G  22          1H2*        G  22   9.317  13.418 -13.081
  248   2H2*    G  22          2H2*        G  22   7.630  12.938 -12.801
  249   1H5*    C  23          1H5*        C  23   6.228  10.096 -14.550
  250   2H5*    C  23          2H5*        C  23   4.501  10.413 -14.297
  251    H4*    C  23           H4*        C  23   5.282   8.513 -12.907
  252    H3*    C  23           H3*        C  23   3.977  10.869 -11.756
  253    H1*    C  23           H1*        C  23   6.675   8.446 -10.242
  254   1H4     C  23          1H4         C  23  11.844  11.031  -7.570
  255   2H4     C  23          2H4         C  23  11.460  12.637  -8.148
  256    H5     C  23           H5         C  23   9.473  13.130  -9.452
  257    H6     C  23           H6         C  23   7.476  12.178 -10.514
  258   1H2*    C  23          1H2*        C  23   5.422  11.183  -9.987
  259   2H2*    C  23          2H2*        C  23   4.863   9.597  -9.391
  260   1H5*    G  24          1H5*        G  24   3.408   6.504  -9.940
  261   2H5*    G  24          2H5*        G  24   1.659   6.275  -9.648
  262    H4*    G  24           H4*        G  24   2.934   4.981  -8.009
  263    H3*    G  24           H3*        G  24   1.336   7.272  -7.103
  264    H1*    G  24           H1*        G  24   4.755   5.867  -5.592
  265    H8     G  24           H8         G  24   4.244   9.593  -6.730
  266    H1     G  24           H1         G  24   9.748   8.537  -3.687
  267   1H2     G  24          1H2         G  24   9.981   6.362  -3.226
  268   2H2     G  24          2H2         G  24   8.769   5.176  -3.656
  269   1H2*    G  24          1H2*        G  24   2.728   8.073  -5.519
  270   2H2*    G  24          2H2*        G  24   2.699   6.476  -4.738
  271   1H5*    C  25          1H5*        C  25  -1.798   6.476  -6.141
  272   2H5*    C  25          2H5*        C  25  -1.190   5.891  -4.570
  273    H4*    C  25           H4*        C  25  -3.785   4.965  -5.908
  274    H3*    C  25           H3*        C  25  -3.310   7.318  -4.275
  275    H1*    C  25           H1*        C  25  -4.947   3.880  -3.043
  276   1H4     C  25          1H4         C  25  -2.112   2.869   2.679
  277   2H4     C  25          2H4         C  25  -0.596   2.601   1.849
  278    H5     C  25           H5         C  25  -0.320   2.905  -0.535
  279    H6     C  25           H6         C  25  -1.412   3.629  -2.614
  280   1H2*    C  25          1H2*        C  25  -3.636   6.430  -2.206
  281   2H2*    C  25          2H2*        C  25  -5.325   6.137  -2.706
  282   1H5*    C  26          1H5*        C  26  -7.917   6.852  -4.271
  283   2H5*    C  26          2H5*        C  26  -8.582   8.310  -5.046
  284    H4*    C  26           H4*        C  26  -9.807   7.786  -2.942
  285    H3*    C  26           H3*        C  26  -8.488  10.340  -3.418
  286    H1*    C  26           H1*        C  26  -8.727   8.399   0.078
  287   1H4     C  26          1H4         C  26  -2.859   8.422   2.645
  288   2H4     C  26          2H4         C  26  -2.101   8.564   1.074
  289    H5     C  26           H5         C  26  -3.347   8.719  -0.983
  290    H6     C  26           H6         C  26  -5.590   8.789  -1.981
  291   1H2*    C  26          1H2*        C  26  -7.414  10.616  -1.428
  292   2H2*    C  26          2H2*        C  26  -9.013  10.554  -0.641
  293   1H5*    A  27          1H5*        A  27 -11.960  10.422  -0.247
  294   2H5*    A  27          2H5*        A  27 -13.046  11.756  -0.701
  295    H4*    A  27           H4*        A  27 -12.857  11.624   1.757
  296    H3*    A  27           H3*        A  27 -12.091  14.024   0.277
  297    H1*    A  27           H1*        A  27 -10.425  12.569   3.601
  298    H8     A  27           H8         A  27  -8.367  12.781   0.262
  299   1H6     A  27          1H6         A  27  -3.371  12.723   3.839
  300   2H6     A  27          2H6         A  27  -3.967  12.795   2.195
  301    H2     A  27           H2         A  27  -6.983  12.523   6.514
  302   1H2*    A  27          1H2*        A  27 -10.125  14.502   1.340
  303   2H2*    A  27          2H2*        A  27 -11.063  14.635   2.850
  304   1H5*    C  28          1H5*        C  28 -13.644  14.619   4.595
  305   2H5*    C  28          2H5*        C  28 -14.103  16.253   5.106
  306    H4*    C  28           H4*        C  28 -12.178  14.953   6.383
  307    H3*    C  28           H3*        C  28 -12.383  17.854   5.781
  308    H1*    C  28           H1*        C  28  -9.281  15.450   6.165
  309   1H4     C  28          1H4         C  28  -4.687  17.288   2.153
  310   2H4     C  28          2H4         C  28  -5.835  17.682   0.893
  311    H5     C  28           H5         C  28  -8.240  17.463   1.176
  312    H6     C  28           H6         C  28 -10.038  16.894   2.760
  313   1H2*    C  28          1H2*        C  28 -10.173  18.196   5.357
  314   2H2*    C  28          2H2*        C  28  -9.801  17.537   6.972
  315   1H5*    T  29          1H5*        T  29 -10.460  19.631  10.655
  316   2H5*    T  29          2H5*        T  29  -9.863  20.326   9.131
  317    H4*    T  29           H4*        T  29  -8.017  20.062  10.745
  318    H3*    T  29           H3*        T  29  -7.892  19.013   8.103
  319   1H2*    T  29          1H2*        T  29  -7.928  16.751   8.569
  320   2H2*    T  29          2H2*        T  29  -6.211  17.031   8.983
  321    H1*    T  29           H1*        T  29  -6.609  16.967  11.243
  322    H3     T  29           H3         T  29  -7.590  12.488  11.288
  323   1H5M    T  29          1H5M        T  29 -12.162  13.268  10.833
  324   2H5M    T  29          2H5M        T  29 -12.263  14.882  11.574
  325   3H5M    T  29          3H5M        T  29 -12.143  14.718   9.804
  326    H6     T  29           H6         T  29 -10.217  16.473  10.594
  327   1H5*    T  30          1H5*        T  30  -3.874  19.005   8.759
  328   2H5*    T  30          2H5*        T  30  -3.049  20.345   9.585
  329    H4*    T  30           H4*        T  30  -1.547  19.083   7.991
  330    H3*    T  30           H3*        T  30  -1.782  21.931   8.128
  331   1H2*    T  30          1H2*        T  30  -2.442  22.455   6.008
  332   2H2*    T  30          2H2*        T  30  -0.839  21.864   5.488
  333    H1*    T  30           H1*        T  30  -1.728  19.940   4.609
  334    H3     T  30           H3         T  30  -4.567  22.452   1.866
  335   1H5M    T  30          1H5M        T  30  -8.242  20.699   4.128
  336   2H5M    T  30          2H5M        T  30  -7.503  19.326   4.983
  337   3H5M    T  30          3H5M        T  30  -7.659  20.903   5.797
  338    H6     T  30           H6         T  30  -5.043  19.874   5.918
  339   1H5*    G  31          1H5*        G  31   2.667  19.386  10.532
  340   2H5*    G  31          2H5*        G  31   3.485  18.530   9.206
  341    H4*    G  31           H4*        G  31   1.274  17.684  10.970
  342    H3*    G  31           H3*        G  31   3.374  16.345   9.572
  343    H1*    G  31           H1*        G  31  -0.482  15.816   8.850
  344    H8     G  31           H8         G  31   1.642  17.365   5.916
  345    H1     G  31           H1         G  31  -4.539  16.465   4.654
  346   1H2     G  31          1H2         G  31  -5.573  15.691   6.512
  347   2H2     G  31          2H2         G  31  -4.708  15.415   8.008
  348   1H2*    G  31          1H2*        G  31   2.262  15.806   7.628
  349   2H2*    G  31          2H2*        G  31   1.448  14.590   8.642
  350   1H5*    T  32          1H5*        T  32   0.498  13.995  12.827
  351   2H5*    T  32          2H5*        T  32   1.160  12.387  13.188
  352    H4*    T  32           H4*        T  32  -1.396  12.536  13.214
  353    H3*    T  32           H3*        T  32   0.150  10.425  11.923
  354   1H2*    T  32          1H2*        T  32  -0.959  10.350   9.935
  355   2H2*    T  32          2H2*        T  32  -2.416   9.943  10.875
  356    H1*    T  32           H1*        T  32  -3.293  12.031  10.721
  357    H3     T  32           H3         T  32  -4.061  12.728   6.311
  358   1H5M    T  32          1H5M        T  32   1.341  12.595   6.955
  359   2H5M    T  32          2H5M        T  32   0.733  14.071   6.179
  360   3H5M    T  32          3H5M        T  32   0.569  12.511   5.358
  361    H6     T  32           H6         T  32  -0.023  12.529   8.937
  362   1H5*    G  33          1H5*        G  33  -4.072   9.503  13.274
  363   2H5*    G  33          2H5*        G  33  -4.222   7.983  14.199
  364    H4*    G  33           H4*        G  33  -6.171   8.421  12.681
  365    H3*    G  33           H3*        G  33  -4.606   5.971  12.596
  366    H1*    G  33           H1*        G  33  -6.323   7.860   9.553
  367    H8     G  33           H8         G  33  -2.407   7.795   9.674
  368    H1     G  33           H1         G  33  -4.908   8.374   3.839
  369   1H2     G  33          1H2         G  33  -7.152   8.280   3.961
  370   2H2     G  33          2H2         G  33  -7.996   8.087   5.481
  371   1H2*    G  33          1H2*        G  33  -4.231   5.861  10.338
  372   2H2*    G  33          2H2*        G  33  -5.995   5.670  10.158
  373   1H5*    G  34          1H5*        G  34  -8.472   6.363  10.570
  374   2H5*    G  34          2H5*        G  34  -9.721   5.337  11.330
  375    H4*    G  34           H4*        G  34 -10.300   5.751   8.982
  376    H3*    G  34           H3*        G  34  -9.740   3.056   9.911
  377    H1*    G  34           H1*        G  34  -8.900   4.587   6.327
  378    H8     G  34           H8         G  34  -5.978   3.555   8.730
  379    H1     G  34           H1         G  34  -4.387   3.745   2.553
  380   1H2     G  34          1H2         G  34  -6.173   4.327   1.321
  381   2H2     G  34          2H2         G  34  -7.735   4.657   2.035
  382   1H2*    G  34          1H2*        G  34  -8.333   2.374   8.254
  383   2H2*    G  34          2H2*        G  34  -9.699   2.584   7.130
  384   1H5*    T  35          1H5*        T  35 -12.743   3.466   6.163
  385   2H5*    T  35          2H5*        T  35 -14.176   2.548   6.688
  386    H4*    T  35           H4*        T  35 -13.878   2.282   4.254
  387    H3*    T  35           H3*        T  35 -13.756   0.021   6.092
  388   1H2*    T  35          1H2*        T  35 -11.991  -1.116   5.238
  389   2H2*    T  35          2H2*        T  35 -12.835  -1.193   3.677
  390    H1*    T  35           H1*        T  35 -11.609   0.499   2.756
  391    H3     T  35           H3         T  35  -7.163  -0.325   2.715
  392   1H5M    T  35          1H5M        T  35  -7.523  -1.407   7.435
  393   2H5M    T  35          2H5M        T  35  -8.665  -0.160   7.970
  394   3H5M    T  35          3H5M        T  35  -7.013   0.288   7.492
  395    H6     T  35           H6         T  35 -10.323   0.222   6.313
  396   1H5*    G  36          1H5*        G  36 -14.781  -0.787   1.798
  397   2H5*    G  36          2H5*        G  36 -16.019  -2.025   1.455
  398    H4*    G  36           H4*        G  36 -13.945  -2.127  -0.017
  399    H3*    G  36           H3*        G  36 -15.079  -4.397   1.405
  400    H1*    G  36           H1*        G  36 -11.259  -3.636   0.673
  401    H8     G  36           H8         G  36 -12.407  -3.583   4.430
  402    H1     G  36           H1         G  36  -6.174  -4.610   3.526
  403   1H2     G  36          1H2         G  36  -5.728  -4.665   1.321
  404   2H2     G  36          2H2         G  36  -6.971  -4.440   0.110
  405   1H2*    G  36          1H2*        G  36 -13.171  -5.156   2.424
  406   2H2*    G  36          2H2*        G  36 -12.579  -5.515   0.784
  407   1H5*    C  37          1H5*        C  37 -12.675  -4.532  -2.472
  408   2H5*    C  37          2H5*        C  37 -13.343  -5.600  -3.726
  409    H4*    C  37           H4*        C  37 -10.849  -5.335  -3.914
  410    H3*    C  37           H3*        C  37 -12.211  -7.912  -3.774
  411    H1*    C  37           H1*        C  37  -8.662  -6.980  -2.165
  412   1H4     C  37          1H4         C  37  -8.652  -8.991   3.916
  413   2H4     C  37          2H4         C  37 -10.396  -8.902   4.016
  414    H5     C  37           H5         C  37 -11.797  -8.299   2.148
  415    H6     C  37           H6         C  37 -11.827  -7.642  -0.218
  416   1H2*    C  37          1H2*        C  37 -10.874  -8.979  -2.261
  417   2H2*    C  37          2H2*        C  37  -9.517  -8.710  -3.383
  418   1H5*    A  38          1H5*        A  38  -8.051  -7.748  -5.709
  419   2H5*    A  38          2H5*        A  38  -8.006  -8.615  -7.262
  420    H4*    A  38           H4*        A  38  -5.892  -8.939  -5.987
  421    H3*    A  38           H3*        A  38  -7.539 -11.154  -6.914
  422    H1*    A  38           H1*        A  38  -5.444 -10.969  -3.521
  423    H8     A  38           H8         A  38  -9.362 -11.138  -3.415
  424   1H6     A  38          1H6         A  38  -8.673 -13.110   2.360
  425   2H6     A  38          2H6         A  38  -9.822 -12.653   1.121
  426    H2     A  38           H2         A  38  -4.574 -12.567   0.589
  427   1H2*    A  38          1H2*        A  38  -7.607 -12.403  -5.000
  428   2H2*    A  38          2H2*        A  38  -5.837 -12.542  -5.129
  429   1H5*    G  39          1H5*        G  39  -3.331 -11.707  -5.626
  430   2H5*    G  39          2H5*        G  39  -2.290 -12.440  -6.880
  431    H4*    G  39           H4*        G  39  -1.491 -13.057  -4.638
  432    H3*    G  39           H3*        G  39  -2.410 -15.097  -6.494
  433    H1*    G  39           H1*        G  39  -2.762 -15.080  -2.534
  434    H8     G  39           H8         G  39  -6.025 -14.917  -4.710
  435    H1     G  39           H1         G  39  -6.903 -16.868   1.297
  436   1H2     G  39          1H2         G  39  -4.916 -17.011   2.345
  437   2H2     G  39          2H2         G  39  -3.410 -16.608   1.552
  438   1H2*    G  39          1H2*        G  39  -3.777 -16.278  -5.086
  439   2H2*    G  39          2H2*        G  39  -2.313 -16.656  -4.141
  440   1H5*    T  40          1H5*        T  40   0.150 -16.187  -3.043
  441   2H5*    T  40          2H5*        T  40   1.575 -17.196  -3.393
  442    H4*    T  40           H4*        T  40   0.527 -17.830  -1.229
  443    H3*    T  40           H3*        T  40   0.740 -19.739  -3.489
  444   1H2*    T  40          1H2*        T  40  -1.156 -20.943  -3.011
  445   2H2*    T  40          2H2*        T  40  -0.556 -21.185  -1.346
  446    H1*    T  40           H1*        T  40  -1.818 -19.462  -0.483
  447    H3     T  40           H3         T  40  -6.122 -20.725  -0.959
  448   1H5M    T  40          1H5M        T  40  -4.508 -19.834  -5.975
  449   2H5M    T  40          2H5M        T  40  -5.301 -18.332  -5.464
  450   3H5M    T  40          3H5M        T  40  -6.229 -19.840  -5.533
  451    H6     T  40           H6         T  40  -2.834 -19.149  -4.107
  452   1H5*    G  41          1H5*        G  41   1.161 -21.398   0.857
  453   2H5*    G  41          2H5*        G  41   2.419 -22.665   0.893
  454    H4*    G  41           H4*        G  41   0.461 -23.307   2.252
  455    H3*    G  41           H3*        G  41   1.095 -24.865  -0.211
  456    H1*    G  41           H1*        G  41  -2.378 -24.219   1.628
  457    H8     G  41           H8         G  41  -1.640 -23.312  -2.107
  458    H1     G  41           H1         G  41  -7.772 -24.429  -0.774
  459   1H2     G  41          1H2         G  41  -7.972 -25.068   1.376
  460   2H2     G  41          2H2         G  41  -6.591 -25.197   2.443
  461   1H2*    G  41          1H2*        G  41  -1.013 -25.650  -0.577
  462   2H2*    G  41          2H2*        G  41  -1.174 -26.092   1.143
  463   1H5*    C  42          1H5*        C  42  -0.380 -26.502   3.621
  464   2H5*    C  42          2H5*        C  42   0.490 -27.924   4.245
  465    H4*    C  42           H4*        C  42  -1.908 -28.025   4.857
  466    H3*    C  42           H3*        C  42  -0.702 -30.093   3.088
  467    H1*    C  42           H1*        C  42  -4.467 -28.739   3.079
  468   1H4     C  42          1H4         C  42  -5.620 -28.784  -3.224
  469   2H4     C  42          2H4         C  42  -3.922 -28.588  -3.597
  470    H5     C  42           H5         C  42  -2.200 -28.482  -1.911
  471    H6     C  42           H6         C  42  -1.728 -28.561   0.499
  472   1H2*    C  42          1H2*        C  42  -2.625 -30.788   2.088
  473   2H2*    C  42          2H2*        C  42  -3.499 -30.726   3.642
  474   1HN1  NCO  43          1HN1      NCO  43   5.029  13.039   1.796
  475   2HN1  NCO  43          2HN1      NCO  43   5.148  12.808   3.396
  476   3HN1  NCO  43          3HN1      NCO  43   5.991  11.877   2.372
  477   1HN2  NCO  43          1HN2      NCO  43   2.287   8.865   1.987
  478   2HN2  NCO  43          2HN2      NCO  43   1.532   9.670   3.175
  479   3HN2  NCO  43          3HN2      NCO  43   1.319  10.116   1.636
  480   1HN3  NCO  43          1HN3      NCO  43   3.328  11.867   0.008
  481   2HN3  NCO  43          2HN3      NCO  43   4.690  11.011   0.133
  482   3HN3  NCO  43          3HN3      NCO  43   3.264  10.250   0.009
  483   1HN4  NCO  43          1HN4      NCO  43   5.753   9.747   2.770
  484   2HN4  NCO  43          2HN4      NCO  43   4.514   8.809   3.213
  485   3HN4  NCO  43          3HN4      NCO  43   4.875   8.982   1.643
  486   1HN5  NCO  43          1HN5      NCO  43   2.830  10.335   4.776
  487   2HN5  NCO  43          2HN5      NCO  43   4.356  10.864   4.843
  488   3HN5  NCO  43          3HN5      NCO  43   3.133  11.926   4.787
  489   1HN6  NCO  43          1HN6      NCO  43   1.959  12.777   1.423
  490   2HN6  NCO  43          2HN6      NCO  43   1.462  12.406   2.914
  491   3HN6  NCO  43          3HN6      NCO  43   2.695  13.438   2.706
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1 -14.320 -29.898  -8.925
    2   2H5*    G   1          2H5*        G   1 -15.521 -28.590  -8.733
    3    H4*    G   1           H4*        G   1 -15.148 -29.627  -6.560
    4    H3*    G   1           H3*        G   1 -14.226 -26.885  -7.006
    5    H1*    G   1           H1*        G   1 -12.260 -29.634  -4.796
    6    H8     G   1           H8         G   1 -11.117 -28.771  -8.355
    7    H1     G   1           H1         G   1  -6.397 -28.442  -4.071
    8   1H2     G   1          1H2         G   1  -7.234 -28.691  -1.997
    9   2H2     G   1          2H2         G   1  -8.942 -28.931  -1.701
   10   1H2*    G   1          1H2*        G   1 -12.307 -26.890  -5.803
   11   2H2*    G   1          2H2*        G   1 -13.181 -27.582  -4.410
   12   1H5*    C   2          1H5*        C   2 -15.131 -27.842  -2.663
   13   2H5*    C   2          2H5*        C   2 -16.169 -26.602  -1.921
   14    H4*    C   2           H4*        C   2 -14.247 -27.304  -0.441
   15    H3*    C   2           H3*        C   2 -14.803 -24.512  -1.222
   16    H1*    C   2           H1*        C   2 -11.178 -26.157  -0.666
   17   1H4     C   2          1H4         C   2  -7.904 -23.525  -5.487
   18   2H4     C   2          2H4         C   2  -9.322 -23.479  -6.510
   19    H5     C   2           H5         C   2 -11.515 -24.172  -5.760
   20    H6     C   2           H6         C   2 -12.810 -25.067  -3.873
   21   1H2*    C   2          1H2*        C   2 -12.680 -23.715  -1.263
   22   2H2*    C   2          2H2*        C   2 -12.346 -24.474   0.314
   23   1H5*    A   3          1H5*        A   3 -12.781 -25.307   2.857
   24   2H5*    A   3          2H5*        A   3 -13.470 -24.263   4.125
   25    H4*    A   3           H4*        A   3 -10.977 -24.414   4.284
   26    H3*    A   3           H3*        A   3 -12.405 -21.843   3.925
   27    H1*    A   3           H1*        A   3  -8.775 -22.838   2.532
   28    H8     A   3           H8         A   3 -11.929 -21.952   0.417
   29   1H6     A   3          1H6         A   3  -7.976 -19.927  -3.852
   30   2H6     A   3          2H6         A   3  -9.658 -20.244  -3.491
   31    H2     A   3           H2         A   3  -5.610 -21.127  -0.227
   32   1H2*    A   3          1H2*        A   3 -10.763 -20.704   2.839
   33   2H2*    A   3          2H2*        A   3  -9.551 -21.292   4.007
   34   1H5*    C   4          1H5*        C   4  -8.528 -21.922   6.409
   35   2H5*    C   4          2H5*        C   4  -8.666 -20.903   7.863
   36    H4*    C   4           H4*        C   4  -6.456 -20.618   6.720
   37    H3*    C   4           H3*        C   4  -8.339 -18.355   7.136
   38    H1*    C   4           H1*        C   4  -5.766 -18.869   4.119
   39   1H4     C   4          1H4         C   4  -9.218 -16.661  -0.791
   40   2H4     C   4          2H4         C   4 -10.722 -17.097  -0.011
   41    H5     C   4           H5         C   4 -10.836 -18.028   2.216
   42    H6     C   4           H6         C   4  -9.531 -18.769   4.160
   43   1H2*    C   4          1H2*        C   4  -7.622 -17.044   5.432
   44   2H2*    C   4          2H2*        C   4  -5.922 -17.385   5.821
   45   1H5*    T   5          1H5*        T   5  -3.840 -17.747   7.439
   46   2H5*    T   5          2H5*        T   5  -3.361 -16.658   8.761
   47    H4*    T   5           H4*        T   5  -2.037 -16.262   6.657
   48    H3*    T   5           H3*        T   5  -3.419 -14.158   8.119
   49   1H2*    T   5          1H2*        T   5  -4.457 -13.111   6.380
   50   2H2*    T   5          2H2*        T   5  -2.820 -12.793   5.740
   51    H1*    T   5           H1*        T   5  -2.948 -14.442   4.174
   52    H3     T   5           H3         T   5  -6.297 -13.241   1.376
   53   1H5M    T   5          1H5M        T   5  -8.616 -14.708   6.095
   54   2H5M    T   5          2H5M        T   5  -9.354 -15.303   4.591
   55   3H5M    T   5          3H5M        T   5  -9.423 -13.576   4.991
   56    H6     T   5           H6         T   5  -6.257 -14.855   5.914
   57   1H5*    G   6          1H5*        G   6   0.134 -12.990   5.683
   58   2H5*    G   6          2H5*        G   6   1.394 -12.063   6.545
   59    H4*    G   6           H4*        G   6   1.130 -11.263   4.221
   60    H3*    G   6           H3*        G   6   0.660  -9.498   6.491
   61    H1*    G   6           H1*        G   6  -1.253  -9.502   2.984
   62    H8     G   6           H8         G   6  -3.174 -10.361   6.290
   63    H1     G   6           H1         G   6  -6.908  -8.516   1.465
   64   1H2     G   6          1H2         G   6  -5.652  -7.971  -0.314
   65   2H2     G   6          2H2         G   6  -3.906  -8.081  -0.295
   66   1H2*    G   6          1H2*        G   6  -1.305  -8.537   5.813
   67   2H2*    G   6          2H2*        G   6  -0.419  -7.914   4.400
   68   1H5*    C   7          1H5*        C   7   1.370  -8.090   2.445
   69   2H5*    C   7          2H5*        C   7   2.812  -7.073   2.223
   70    H4*    C   7           H4*        C   7   1.135  -6.490   0.527
   71    H3*    C   7           H3*        C   7   2.103  -4.533   2.445
   72    H1*    C   7           H1*        C   7  -1.570  -4.809   0.915
   73   1H4     C   7          1H4         C   7  -6.005  -4.665   5.515
   74   2H4     C   7          2H4         C   7  -4.857  -5.164   6.737
   75    H5     C   7           H5         C   7  -2.513  -5.507   6.287
   76    H6     C   7           H6         C   7  -0.774  -5.506   4.559
   77   1H2*    C   7          1H2*        C   7   0.110  -3.601   3.082
   78   2H2*    C   7          2H2*        C   7  -0.097  -3.107   1.379
   79   1H5*    A   8          1H5*        A   8   0.885  -2.992  -1.864
   80   2H5*    A   8          2H5*        A   8   2.215  -1.981  -2.481
   81    H4*    A   8           H4*        A   8   0.077  -1.029  -3.219
   82    H3*    A   8           H3*        A   8   1.873   0.457  -1.463
   83    H1*    A   8           H1*        A   8  -2.133   0.547  -1.489
   84    H8     A   8           H8         A   8   0.058  -0.391   1.623
   85   1H6     A   8          1H6         A   8  -5.128  -0.293   4.878
   86   2H6     A   8          2H6         A   8  -3.396  -0.528   4.920
   87    H2     A   8           H2         A   8  -6.182   0.634   0.590
   88   1H2*    A   8          1H2*        A   8   0.352   1.400  -0.069
   89   2H2*    A   8          2H2*        A   8  -0.440   2.099  -1.498
   90   1H5*    T   9          1H5*        T   9   4.154   1.503  -4.565
   91   2H5*    T   9          2H5*        T   9   3.740   0.197  -3.431
   92    H4*    T   9           H4*        T   9   6.164   0.428  -3.539
   93    H3*    T   9           H3*        T   9   4.772   1.010  -0.993
   94   1H2*    T   9          1H2*        T   9   6.087   2.670  -0.281
   95   2H2*    T   9          2H2*        T   9   7.491   1.590  -0.454
   96    H1*    T   9           H1*        T   9   8.123   2.456  -2.440
   97    H3     T   9           H3         T   9   9.216   6.586  -0.789
   98   1H5M    T   9          1H5M        T   9   3.882   6.662  -1.365
   99   2H5M    T   9          2H5M        T   9   4.583   7.611  -2.685
  100   3H5M    T   9          3H5M        T   9   4.824   8.126  -1.007
  101    H6     T   9           H6         T   9   5.100   4.677  -2.408
  102   1H5*    C  10          1H5*        C  10   8.909  -0.579  -1.354
  103   2H5*    C  10          2H5*        C  10   9.241  -2.113  -0.517
  104    H4*    C  10           H4*        C  10  11.264  -0.581  -0.640
  105    H3*    C  10           H3*        C  10  10.300  -1.883   1.756
  106    H1*    C  10           H1*        C  10  11.684   1.881   1.598
  107   1H4     C  10          1H4         C  10   7.260   5.661   4.294
  108   2H4     C  10          2H4         C  10   5.971   4.564   3.851
  109    H5     C  10           H5         C  10   6.348   2.481   2.675
  110    H6     C  10           H6         C  10   8.051   0.943   1.829
  111   1H2*    C  10          1H2*        C  10  10.104  -0.107   3.163
  112   2H2*    C  10          2H2*        C  10  11.871   0.084   3.010
  113   1H5*    C  11          1H5*        C  11  15.076  -0.738   2.464
  114   2H5*    C  11          2H5*        C  11  15.595  -1.770   3.808
  115    H4*    C  11           H4*        C  11  15.741   0.903   3.973
  116    H3*    C  11           H3*        C  11  15.339  -1.103   6.093
  117    H1*    C  11           H1*        C  11  13.819   2.534   5.719
  118   1H4     C  11          1H4         C  11   7.666   2.623   7.336
  119   2H4     C  11          2H4         C  11   7.422   0.964   6.835
  120    H5     C  11           H5         C  11   9.205  -0.426   5.948
  121    H6     C  11           H6         C  11  11.610  -0.532   5.434
  122   1H2*    C  11          1H2*        C  11  13.627  -0.072   7.184
  123   2H2*    C  11          2H2*        C  11  14.711   1.320   7.447
  124   1H5*    T  12          1H5*        T  12  18.402   2.529   9.412
  125   2H5*    T  12          2H5*        T  12  17.181   1.658  10.370
  126    H4*    T  12           H4*        T  12  17.021   4.058  10.919
  127    H3*    T  12           H3*        T  12  14.807   2.630   9.791
  128   1H2*    T  12          1H2*        T  12  14.283   3.990   8.036
  129   2H2*    T  12          2H2*        T  12  13.862   5.222   9.258
  130    H1*    T  12           H1*        T  12  15.813   6.398   8.920
  131    H3     T  12           H3         T  12  14.626   7.382   4.586
  132   1H5M    T  12          1H5M        T  12  17.535   4.155   2.913
  133   2H5M    T  12          2H5M        T  12  18.720   4.131   4.240
  134   3H5M    T  12          3H5M        T  12  17.426   2.909   4.177
  135    H6     T  12           H6         T  12  17.338   3.982   6.661
  136   1H5*    T  13          1H5*        T  13  12.687   5.692  11.584
  137   2H5*    T  13          2H5*        T  13  12.685   5.719  13.363
  138    H4*    T  13           H4*        T  13  10.523   6.640  12.467
  139    H3*    T  13           H3*        T  13  10.654   4.547  14.409
  140   1H2*    T  13          1H2*        T  13   9.464   2.913  13.378
  141   2H2*    T  13          2H2*        T  13   8.061   4.005  13.532
  142    H1*    T  13           H1*        T  13   8.111   4.560  11.309
  143    H3     T  13           H3         T  13   7.406   0.327   9.680
  144   1H5M    T  13          1H5M        T  13  11.978  -0.455   9.195
  145   2H5M    T  13          2H5M        T  13  12.626   1.201   9.227
  146   3H5M    T  13          3H5M        T  13  12.523   0.254  10.732
  147    H6     T  13           H6         T  13  11.346   2.818  10.913
  148   1H5*    G  14          1H5*        G  14   9.330  10.216  15.301
  149   2H5*    G  14          2H5*        G  14   7.811  10.340  14.379
  150    H4*    G  14           H4*        G  14  10.690  10.291  13.483
  151    H3*    G  14           H3*        G  14   8.499  12.017  12.941
  152    H1*    G  14           H1*        G  14  10.074   9.560  10.340
  153    H8     G  14           H8         G  14   6.297   8.739  11.024
  154    H1     G  14           H1         G  14   9.436   4.467   7.491
  155   1H2     G  14          1H2         G  14  11.621   5.058   7.382
  156   2H2     G  14          2H2         G  14  12.233   6.490   8.179
  157   1H2*    G  14          1H2*        G  14   7.457  10.727  11.303
  158   2H2*    G  14          2H2*        G  14   8.718  11.440  10.261
  159   1H5*    G  15          1H5*        G  15  12.840  12.285  10.929
  160   2H5*    G  15          2H5*        G  15  13.185  13.868  10.182
  161    H4*    G  15           H4*        G  15  14.382  11.875   9.139
  162    H3*    G  15           H3*        G  15  12.890  13.880   7.643
  163    H1*    G  15           H1*        G  15  13.202   9.988   6.863
  164    H8     G  15           H8         G  15   9.708  11.453   7.849
  165    H1     G  15           H1         G  15   9.480   6.003   4.548
  166   1H2     G  15          1H2         G  15  11.556   5.333   4.036
  167   2H2     G  15          2H2         G  15  12.974   6.236   4.515
  168   1H2*    G  15          1H2*        G  15  11.629  12.485   6.335
  169   2H2*    G  15          2H2*        G  15  13.162  11.920   5.623
  170   1H5*    A  16          1H5*        A  16  16.080  11.244   6.089
  171   2H5*    A  16          2H5*        A  16  17.406  11.986   5.168
  172    H4*    A  16           H4*        A  16  16.962   9.611   4.481
  173    H3*    A  16           H3*        A  16  17.094  11.845   2.621
  174    H1*    A  16           H1*        A  16  14.789   8.636   2.411
  175    H8     A  16           H8         A  16  12.961  12.034   3.037
  176   1H6     A  16          1H6         A  16   8.090   9.361   0.404
  177   2H6     A  16          2H6         A  16   8.692  10.812   1.173
  178    H2     A  16           H2         A  16  11.503   6.415   0.357
  179   1H2*    A  16          1H2*        A  16  15.129  11.475   1.500
  180   2H2*    A  16          2H2*        A  16  15.886   9.977   0.908
  181   1H5*    C  17          1H5*        C  17  17.001   7.586   1.753
  182   2H5*    C  17          2H5*        C  17  18.474   6.990   0.961
  183    H4*    C  17           H4*        C  17  16.642   5.437   0.496
  184    H3*    C  17           H3*        C  17  18.001   6.841  -1.668
  185    H1*    C  17           H1*        C  17  14.185   5.726  -1.477
  186   1H4     C  17          1H4         C  17  10.319  10.494  -3.301
  187   2H4     C  17          2H4         C  17  11.456  11.706  -2.756
  188    H5     C  17           H5         C  17  13.620  11.173  -1.847
  189    H6     C  17           H6         C  17  15.154   9.364  -1.229
  190   1H2*    C  17          1H2*        C  17  16.167   7.465  -2.898
  191   2H2*    C  17          2H2*        C  17  15.821   5.723  -3.084
  192   1H5*    G  18          1H5*        G  18  15.962   2.976  -2.707
  193   2H5*    G  18          2H5*        G  18  17.018   1.790  -3.531
  194    H4*    G  18           H4*        G  18  14.720   1.782  -4.472
  195    H3*    G  18           H3*        G  18  17.060   2.301  -6.101
  196    H1*    G  18           H1*        G  18  13.461   3.881  -6.463
  197    H8     G  18           H8         G  18  16.307   6.413  -5.469
  198    H1     G  18           H1         G  18  10.934   9.017  -7.714
  199   1H2     G  18          1H2         G  18   9.471   7.389  -8.240
  200   2H2     G  18          2H2         G  18   9.850   5.694  -8.027
  201   1H2*    G  18          1H2*        G  18  16.391   4.312  -7.017
  202   2H2*    G  18          2H2*        G  18  15.183   3.341  -7.896
  203   1H5*    C  19          1H5*        C  19  16.311   0.663 -10.562
  204   2H5*    C  19          2H5*        C  19  16.442   1.793  -9.218
  205    H4*    C  19           H4*        C  19  13.931   0.491  -8.856
  206    H3*    C  19           H3*        C  19  14.402   0.356 -11.644
  207    H1*    C  19           H1*        C  19  12.400   3.338  -9.948
  208   1H4     C  19          1H4         C  19  14.844   8.997 -11.707
  209   2H4     C  19          2H4         C  19  16.481   8.416 -11.502
  210    H5     C  19           H5         C  19  17.008   6.148 -10.858
  211    H6     C  19           H6         C  19  16.079   3.943 -10.317
  212   1H2*    C  19          1H2*        C  19  14.276   2.603 -12.176
  213   2H2*    C  19          2H2*        C  19  12.521   2.322 -12.022
  214   1H5*    T  20          1H5*        T  20   9.765  -0.113 -14.115
  215   2H5*    T  20          2H5*        T  20  11.212   0.714 -14.733
  216    H4*    T  20           H4*        T  20   9.226   1.928 -15.444
  217    H3*    T  20           H3*        T  20  11.301   3.226 -14.103
  218   1H2*    T  20          1H2*        T  20  10.401   3.631 -12.021
  219   2H2*    T  20          2H2*        T  20   9.478   4.907 -12.858
  220    H1*    T  20           H1*        T  20   7.532   3.741 -12.683
  221    H3     T  20           H3         T  20   8.105   3.366  -8.041
  222   1H5M    T  20          1H5M        T  20   8.280  -1.263  -8.491
  223   2H5M    T  20          2H5M        T  20   7.567  -1.467 -10.108
  224   3H5M    T  20          3H5M        T  20   9.337  -1.380  -9.917
  225    H6     T  20           H6         T  20   8.449   0.421 -11.846
  226   1H5*    T  21          1H5*        T  21   9.944   6.750 -14.624
  227   2H5*    T  21          2H5*        T  21   9.381   7.247 -16.233
  228    H4*    T  21           H4*        T  21  10.208   9.150 -14.754
  229    H3*    T  21           H3*        T  21  10.828   8.781 -17.537
  230   1H2*    T  21          1H2*        T  21  13.099   8.758 -17.504
  231   2H2*    T  21          2H2*        T  21  13.005  10.448 -16.940
  232    H1*    T  21           H1*        T  21  13.597   9.868 -14.809
  233    H3     T  21           H3         T  21  17.614   7.947 -15.952
  234   1H5M    T  21          1H5M        T  21  15.837   3.660 -15.555
  235   2H5M    T  21          2H5M        T  21  14.562   4.000 -14.364
  236   3H5M    T  21          3H5M        T  21  14.164   3.927 -16.098
  237    H6     T  21           H6         T  21  13.149   6.268 -15.224
  238   1H5*    G  22          1H5*        G  22   7.047  12.806 -17.034
  239   2H5*    G  22          2H5*        G  22   7.807  14.157 -16.168
  240    H4*    G  22           H4*        G  22   5.659  12.493 -15.313
  241    H3*    G  22           H3*        G  22   7.126  14.730 -14.152
  242    H1*    G  22           H1*        G  22   7.199  11.173 -12.212
  243    H8     G  22           H8         G  22   9.769  13.750 -13.636
  244    H1     G  22           H1         G  22  12.398   8.368 -11.464
  245   1H2     G  22          1H2         G  22  10.785   6.900 -10.909
  246   2H2     G  22          2H2         G  22   9.084   7.275 -11.072
  247   1H2*    G  22          1H2*        G  22   7.802  13.948 -12.144
  248   2H2*    G  22          2H2*        G  22   6.215  13.201 -11.865
  249   1H5*    C  23          1H5*        C  23   5.062  10.577 -13.661
  250   2H5*    C  23          2H5*        C  23   3.323  10.621 -13.316
  251    H4*    C  23           H4*        C  23   4.305   8.750 -12.108
  252    H3*    C  23           H3*        C  23   3.069  10.949 -10.607
  253    H1*    C  23           H1*        C  23   6.047   8.554  -9.644
  254   1H4     C  23          1H4         C  23  11.325  11.351  -7.425
  255   2H4     C  23          2H4         C  23  10.756  12.954  -7.833
  256    H5     C  23           H5         C  23   8.594  13.372  -8.838
  257    H6     C  23           H6         C  23   6.548  12.340  -9.705
  258   1H2*    C  23          1H2*        C  23   4.677  11.156  -8.978
  259   2H2*    C  23          2H2*        C  23   4.277   9.484  -8.504
  260   1H5*    G  24          1H5*        G  24   2.952   6.445  -9.165
  261   2H5*    G  24          2H5*        G  24   1.248   6.094  -8.757
  262    H4*    G  24           H4*        G  24   2.634   4.679  -7.370
  263    H3*    G  24           H3*        G  24   1.259   6.923  -6.060
  264    H1*    G  24           H1*        G  24   4.798   5.281  -5.132
  265    H8     G  24           H8         G  24   4.074   9.069  -5.710
  266    H1     G  24           H1         G  24  10.064   7.954  -3.886
  267   1H2     G  24          1H2         G  24  10.452   5.758  -3.749
  268   2H2     G  24          2H2         G  24   9.225   4.563  -4.101
  269   1H2*    G  24          1H2*        G  24   2.818   7.442  -4.520
  270   2H2*    G  24          2H2*        G  24   2.844   5.744  -3.989
  271   1H5*    C  25          1H5*        C  25  -1.942   6.275  -5.687
  272   2H5*    C  25          2H5*        C  25  -1.466   5.878  -4.015
  273    H4*    C  25           H4*        C  25  -3.971   4.827  -5.426
  274    H3*    C  25           H3*        C  25  -3.578   7.357  -4.054
  275    H1*    C  25           H1*        C  25  -5.347   4.097  -2.538
  276   1H4     C  25          1H4         C  25  -2.948   3.682   3.431
  277   2H4     C  25          2H4         C  25  -1.334   3.538   2.769
  278    H5     C  25           H5         C  25  -0.845   3.753   0.414
  279    H6     C  25           H6         C  25  -1.789   4.179  -1.816
  280   1H2*    C  25          1H2*        C  25  -4.089   6.735  -1.921
  281   2H2*    C  25          2H2*        C  25  -5.730   6.369  -2.524
  282   1H5*    C  26          1H5*        C  26  -8.082   6.464  -4.279
  283   2H5*    C  26          2H5*        C  26  -8.888   7.796  -5.143
  284    H4*    C  26           H4*        C  26 -10.198   7.090  -3.139
  285    H3*    C  26           H3*        C  26  -9.298   9.824  -3.584
  286    H1*    C  26           H1*        C  26  -9.531   7.934  -0.063
  287   1H4     C  26          1H4         C  26  -4.033   8.877   3.081
  288   2H4     C  26          2H4         C  26  -3.138   9.078   1.590
  289    H5     C  26           H5         C  26  -4.172   9.014  -0.591
  290    H6     C  26           H6         C  26  -6.290   8.767  -1.811
  291   1H2*    C  26          1H2*        C  26  -8.447  10.304  -1.522
  292   2H2*    C  26          2H2*        C  26 -10.079  10.006  -0.867
  293   1H5*    A  27          1H5*        A  27 -12.769   9.237  -0.639
  294   2H5*    A  27          2H5*        A  27 -14.143  10.244  -1.154
  295    H4*    A  27           H4*        A  27 -14.088  10.202   1.289
  296    H3*    A  27           H3*        A  27 -13.713  12.714  -0.158
  297    H1*    A  27           H1*        A  27 -12.027  11.603   3.286
  298    H8     A  27           H8         A  27  -9.818  12.272   0.106
  299   1H6     A  27          1H6         A  27  -5.169  13.065   4.059
  300   2H6     A  27          2H6         A  27  -5.636  13.056   2.373
  301    H2     A  27           H2         A  27  -8.869  12.144   6.441
  302   1H2*    A  27          1H2*        A  27 -11.955  13.565   1.031
  303   2H2*    A  27          2H2*        A  27 -13.001  13.505   2.474
  304   1H5*    C  28          1H5*        C  28 -15.453  12.733   3.996
  305   2H5*    C  28          2H5*        C  28 -16.366  14.118   4.625
  306    H4*    C  28           H4*        C  28 -14.288  13.286   5.971
  307    H3*    C  28           H3*        C  28 -15.075  16.101   5.428
  308    H1*    C  28           H1*        C  28 -11.598  14.372   6.054
  309   1H4     C  28          1H4         C  28  -7.052  17.273   2.663
  310   2H4     C  28          2H4         C  28  -8.112  17.509   1.291
  311    H5     C  28           H5         C  28 -10.444  16.818   1.287
  312    H6     C  28           H6         C  28 -12.257  15.833   2.632
  313   1H2*    C  28          1H2*        C  28 -12.958  16.916   5.217
  314   2H2*    C  28          2H2*        C  28 -12.599  16.288   6.846
  315   1H5*    T  29          1H5*        T  29 -13.973  17.712  10.754
  316   2H5*    T  29          2H5*        T  29 -13.447  18.726   9.391
  317    H4*    T  29           H4*        T  29 -11.649  18.657  11.044
  318    H3*    T  29           H3*        T  29 -11.194  17.863   8.369
  319   1H2*    T  29          1H2*        T  29 -10.898  15.589   8.654
  320   2H2*    T  29          2H2*        T  29  -9.274  16.094   9.205
  321    H1*    T  29           H1*        T  29  -9.770  15.750  11.412
  322    H3     T  29           H3         T  29 -10.125  11.194  11.010
  323   1H5M    T  29          1H5M        T  29 -14.742  11.395  10.416
  324   2H5M    T  29          2H5M        T  29 -15.095  12.933  11.236
  325   3H5M    T  29          3H5M        T  29 -14.870  12.895   9.470
  326    H6     T  29           H6         T  29 -13.245  14.842  10.529
  327   1H5*    T  30          1H5*        T  30  -7.190  18.562   9.408
  328   2H5*    T  30          2H5*        T  30  -6.824  19.945  10.465
  329    H4*    T  30           H4*        T  30  -4.866  19.313   9.021
  330    H3*    T  30           H3*        T  30  -5.853  21.968   9.306
  331   1H2*    T  30          1H2*        T  30  -6.508  22.453   7.167
  332   2H2*    T  30          2H2*        T  30  -4.763  22.449   6.787
  333    H1*    T  30           H1*        T  30  -4.895  20.427   5.704
  334    H3     T  30           H3         T  30  -7.911  22.023   2.584
  335   1H5M    T  30          1H5M        T  30 -11.361  19.601   4.566
  336   2H5M    T  30          2H5M        T  30 -10.454  18.463   5.587
  337   3H5M    T  30          3H5M        T  30 -11.027  20.007   6.265
  338    H6     T  30           H6         T  30  -8.273  19.542   6.705
  339   1H5*    G  31          1H5*        G  31  -1.028  20.353  11.882
  340   2H5*    G  31          2H5*        G  31  -0.052  19.762  10.517
  341    H4*    G  31           H4*        G  31  -2.307  18.503  12.023
  342    H3*    G  31           H3*        G  31   0.178  17.561  10.968
  343    H1*    G  31           H1*        G  31  -3.390  16.453   9.714
  344    H8     G  31           H8         G  31  -1.239  18.395   7.039
  345    H1     G  31           H1         G  31  -6.966  16.402   5.070
  346   1H2     G  31          1H2         G  31  -8.036  15.403   6.790
  347   2H2     G  31          2H2         G  31  -7.310  15.253   8.374
  348   1H2*    G  31          1H2*        G  31  -0.543  16.951   8.854
  349   2H2*    G  31          2H2*        G  31  -1.259  15.562   9.711
  350   1H5*    T  32          1H5*        T  32  -2.953  15.022  13.473
  351   2H5*    T  32          2H5*        T  32  -2.256  13.579  14.243
  352    H4*    T  32           H4*        T  32  -4.688  13.263  13.695
  353    H3*    T  32           H3*        T  32  -2.628  11.392  12.836
  354   1H2*    T  32          1H2*        T  32  -3.307  11.114  10.674
  355   2H2*    T  32          2H2*        T  32  -4.842  10.510  11.348
  356    H1*    T  32           H1*        T  32  -5.968  12.428  10.939
  357    H3     T  32           H3         T  32  -6.017  12.878   6.432
  358   1H5M    T  32          1H5M        T  32  -0.866  13.597   8.004
  359   2H5M    T  32          2H5M        T  32  -1.546  15.010   7.171
  360   3H5M    T  32          3H5M        T  32  -1.331  13.486   6.292
  361    H6     T  32           H6         T  32  -2.545  13.384   9.734
  362   1H5*    G  33          1H5*        G  33  -6.862  10.030  13.513
  363   2H5*    G  33          2H5*        G  33  -7.042   8.545  14.485
  364    H4*    G  33           H4*        G  33  -8.753   8.732  12.674
  365    H3*    G  33           H3*        G  33  -6.962   6.450  12.918
  366    H1*    G  33           H1*        G  33  -8.392   8.085   9.589
  367    H8     G  33           H8         G  33  -4.540   8.401  10.254
  368    H1     G  33           H1         G  33  -6.218   8.537   4.103
  369   1H2     G  33          1H2         G  33  -8.441   8.243   3.917
  370   2H2     G  33          2H2         G  33  -9.476   8.025   5.310
  371   1H2*    G  33          1H2*        G  33  -6.272   6.304  10.737
  372   2H2*    G  33          2H2*        G  33  -7.971   5.953  10.326
  373   1H5*    G  34          1H5*        G  34 -10.546   6.413  10.432
  374   2H5*    G  34          2H5*        G  34 -11.805   5.302  11.044
  375    H4*    G  34           H4*        G  34 -12.104   5.620   8.639
  376    H3*    G  34           H3*        G  34 -11.399   2.994   9.672
  377    H1*    G  34           H1*        G  34 -10.281   4.614   6.207
  378    H8     G  34           H8         G  34  -7.579   3.870   8.950
  379    H1     G  34           H1         G  34  -5.316   4.185   2.992
  380   1H2     G  34          1H2         G  34  -7.009   4.555   1.557
  381   2H2     G  34          2H2         G  34  -8.666   4.724   2.089
  382   1H2*    G  34          1H2*        G  34  -9.741   2.452   8.202
  383   2H2*    G  34          2H2*        G  34 -10.972   2.543   6.917
  384   1H5*    T  35          1H5*        T  35 -13.803   3.252   5.577
  385   2H5*    T  35          2H5*        T  35 -15.234   2.225   5.825
  386    H4*    T  35           H4*        T  35 -14.581   2.122   3.459
  387    H3*    T  35           H3*        T  35 -14.514  -0.235   5.168
  388   1H2*    T  35          1H2*        T  35 -12.571  -1.205   4.470
  389   2H2*    T  35          2H2*        T  35 -13.194  -1.191   2.805
  390    H1*    T  35           H1*        T  35 -11.968   0.640   2.199
  391    H3     T  35           H3         T  35  -7.515   0.084   2.836
  392   1H5M    T  35          1H5M        T  35  -9.843  -0.112   7.784
  393   2H5M    T  35          2H5M        T  35  -8.182   0.489   7.598
  394   3H5M    T  35          3H5M        T  35  -8.527  -1.237   7.397
  395    H6     T  35           H6         T  35 -11.240   0.242   5.894
  396   1H5*    G  36          1H5*        G  36 -14.876  -0.642   0.775
  397   2H5*    G  36          2H5*        G  36 -16.020  -1.830   0.092
  398    H4*    G  36           H4*        G  36 -13.815  -1.691  -1.134
  399    H3*    G  36           H3*        G  36 -14.955  -4.166  -0.105
  400    H1*    G  36           H1*        G  36 -11.105  -3.164  -0.301
  401    H8     G  36           H8         G  36 -12.776  -3.661   3.217
  402    H1     G  36           H1         G  36  -6.427  -4.298   3.150
  403   1H2     G  36          1H2         G  36  -5.658  -4.024   1.052
  404   2H2     G  36          2H2         G  36  -6.721  -3.684  -0.295
  405   1H2*    G  36          1H2*        G  36 -13.104  -5.018   0.936
  406   2H2*    G  36          2H2*        G  36 -12.336  -5.059  -0.671
  407   1H5*    C  37          1H5*        C  37 -12.230  -3.857  -3.723
  408   2H5*    C  37          2H5*        C  37 -12.756  -4.770  -5.155
  409    H4*    C  37           H4*        C  37 -10.253  -4.542  -5.021
  410    H3*    C  37           H3*        C  37 -11.650  -7.088  -5.321
  411    H1*    C  37           H1*        C  37  -8.307  -6.410  -3.220
  412   1H4     C  37          1H4         C  37  -9.012  -9.060   2.570
  413   2H4     C  37          2H4         C  37 -10.756  -8.988   2.463
  414    H5     C  37           H5         C  37 -11.929  -8.184   0.515
  415    H6     C  37           H6         C  37 -11.684  -7.251  -1.743
  416   1H2*    C  37          1H2*        C  37 -10.509  -8.342  -3.790
  417   2H2*    C  37          2H2*        C  37  -9.026  -7.982  -4.710
  418   1H5*    A  38          1H5*        A  38  -7.307  -6.769  -6.755
  419   2H5*    A  38          2H5*        A  38  -7.071  -7.466  -8.374
  420    H4*    A  38           H4*        A  38  -5.119  -7.933  -6.903
  421    H3*    A  38           H3*        A  38  -6.630 -10.034  -8.238
  422    H1*    A  38           H1*        A  38  -4.934 -10.204  -4.630
  423    H8     A  38           H8         A  38  -8.840 -10.414  -4.983
  424   1H6     A  38          1H6         A  38  -8.765 -12.881   0.645
  425   2H6     A  38          2H6         A  38  -9.776 -12.334  -0.674
  426    H2     A  38           H2         A  38  -4.506 -12.126  -0.588
  427   1H2*    A  38          1H2*        A  38  -6.906 -11.474  -6.481
  428   2H2*    A  38          2H2*        A  38  -5.130 -11.606  -6.423
  429   1H5*    G  39          1H5*        G  39  -2.582 -10.707  -6.562
  430   2H5*    G  39          2H5*        G  39  -1.396 -11.295  -7.761
  431    H4*    G  39           H4*        G  39  -0.832 -12.135  -5.522
  432    H3*    G  39           H3*        G  39  -1.502 -13.981  -7.666
  433    H1*    G  39           H1*        G  39  -2.264 -14.374  -3.785
  434    H8     G  39           H8         G  39  -5.295 -14.049  -6.261
  435    H1     G  39           H1         G  39  -6.730 -16.571  -0.578
  436   1H2     G  39          1H2         G  39  -4.861 -16.772   0.655
  437   2H2     G  39          2H2         G  39  -3.292 -16.270   0.065
  438   1H2*    G  39          1H2*        G  39  -2.990 -15.312  -6.540
  439   2H2*    G  39          2H2*        G  39  -1.625 -15.776  -5.490
  440   1H5*    T  40          1H5*        T  40   0.666 -15.404  -4.070
  441   2H5*    T  40          2H5*        T  40   2.158 -16.329  -4.370
  442    H4*    T  40           H4*        T  40   0.937 -17.256  -2.425
  443    H3*    T  40           H3*        T  40   1.342 -18.852  -4.892
  444   1H2*    T  40          1H2*        T  40  -0.549 -20.162  -4.672
  445   2H2*    T  40          2H2*        T  40  -0.069 -20.553  -2.997
  446    H1*    T  40           H1*        T  40  -1.436 -18.952  -2.072
  447    H3     T  40           H3         T  40  -5.683 -20.121  -3.020
  448   1H5M    T  40          1H5M        T  40  -3.653 -18.755  -7.775
  449   2H5M    T  40          2H5M        T  40  -4.506 -17.314  -7.190
  450   3H5M    T  40          3H5M        T  40  -5.406 -18.813  -7.486
  451    H6     T  40           H6         T  40  -2.147 -18.271  -5.719
  452   1H5*    G  41          1H5*        G  41   1.609 -20.785  -0.730
  453   2H5*    G  41          2H5*        G  41   2.862 -22.055  -0.626
  454    H4*    G  41           H4*        G  41   0.796 -22.664   0.613
  455    H3*    G  41           H3*        G  41   1.673 -24.271  -1.735
  456    H1*    G  41           H1*        G  41  -1.981 -23.636  -0.275
  457    H8     G  41           H8         G  41  -0.873 -22.704  -3.909
  458    H1     G  41           H1         G  41  -7.071 -24.041  -3.249
  459   1H2     G  41          1H2         G  41  -7.480 -24.707  -1.138
  460   2H2     G  41          2H2         G  41  -6.220 -24.799   0.071
  461   1H2*    G  41          1H2*        G  41  -0.381 -25.075  -2.306
  462   2H2*    G  41          2H2*        G  41  -0.708 -25.496  -0.605
  463   1H5*    C  42          1H5*        C  42  -0.190 -25.983   1.935
  464   2H5*    C  42          2H5*        C  42   0.631 -27.419   2.594
  465    H4*    C  42           H4*        C  42  -1.826 -27.583   2.899
  466    H3*    C  42           H3*        C  42  -0.351 -29.555   1.228
  467    H1*    C  42           H1*        C  42  -4.119 -28.278   0.784
  468   1H4     C  42          1H4         C  42  -4.497 -28.041  -5.603
  469   2H4     C  42          2H4         C  42  -2.774 -27.778  -5.758
  470    H5     C  42           H5         C  42  -1.271 -27.717  -3.872
  471    H6     C  42           H6         C  42  -1.090 -27.909  -1.429
  472   1H2*    C  42          1H2*        C  42  -2.102 -30.231  -0.059
  473   2H2*    C  42          2H2*        C  42  -3.177 -30.273   1.365
  474   1HN1  NCO  43          1HN1      NCO  43   3.445  11.640   5.725
  475   2HN1  NCO  43          2HN1      NCO  43   5.008  11.909   6.063
  476   3HN1  NCO  43          3HN1      NCO  43   4.278  12.730   4.871
  477   1HN2  NCO  43          1HN2      NCO  43   6.247   8.535   2.894
  478   2HN2  NCO  43          2HN2      NCO  43   4.681   8.145   2.792
  479   3HN2  NCO  43          3HN2      NCO  43   5.313   9.230   1.767
  480   1HN3  NCO  43          1HN3      NCO  43   7.093  11.420   4.684
  481   2HN3  NCO  43          2HN3      NCO  43   6.841  10.113   5.610
  482   3HN3  NCO  43          3HN3      NCO  43   7.386   9.944   4.094
  483   1HN4  NCO  43          1HN4      NCO  43   3.545   8.562   5.251
  484   2HN4  NCO  43          2HN4      NCO  43   5.124   8.249   5.387
  485   3HN4  NCO  43          3HN4      NCO  43   4.440   9.376   6.329
  486   1HN5  NCO  43          1HN5      NCO  43   2.890   9.918   2.436
  487   2HN5  NCO  43          2HN5      NCO  43   2.350   9.846   3.962
  488   3HN5  NCO  43          3HN5      NCO  43   2.589  11.282   3.260
  489   1HN6  NCO  43          1HN6      NCO  43   5.359  12.681   2.983
  490   2HN6  NCO  43          2HN6      NCO  43   6.222  11.562   2.201
  491   3HN6  NCO  43          3HN6      NCO  43   4.649  11.759   1.857
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1 -20.273 -29.273  -4.163
    2   2H5*    G   1          2H5*        G   1 -21.133 -27.732  -3.898
    3    H4*    G   1           H4*        G   1 -20.469 -28.638  -1.734
    4    H3*    G   1           H3*        G   1 -19.185 -26.194  -2.715
    5    H1*    G   1           H1*        G   1 -17.304 -29.092  -0.621
    6    H8     G   1           H8         G   1 -16.868 -28.723  -4.420
    7    H1     G   1           H1         G   1 -11.320 -29.124  -1.287
    8   1H2     G   1          1H2         G   1 -11.696 -29.070   0.931
    9   2H2     G   1          2H2         G   1 -13.306 -28.935   1.604
   10   1H2*    G   1          1H2*        G   1 -17.082 -26.485  -1.920
   11   2H2*    G   1          2H2*        G   1 -17.739 -26.874  -0.307
   12   1H5*    C   2          1H5*        C   2 -19.287 -26.549   1.806
   13   2H5*    C   2          2H5*        C   2 -19.826 -25.044   2.590
   14    H4*    C   2           H4*        C   2 -17.783 -26.093   3.671
   15    H3*    C   2           H3*        C   2 -17.937 -23.289   2.747
   16    H1*    C   2           H1*        C   2 -14.710 -25.677   2.674
   17   1H4     C   2          1H4         C   2 -12.098 -23.954  -2.905
   18   2H4     C   2          2H4         C   2 -13.668 -23.687  -3.629
   19    H5     C   2           H5         C   2 -15.746 -23.929  -2.410
   20    H6     C   2           H6         C   2 -16.754 -24.466  -0.233
   21   1H2*    C   2          1H2*        C   2 -15.765 -22.989   2.165
   22   2H2*    C   2          2H2*        C   2 -15.233 -23.718   3.703
   23   1H5*    A   3          1H5*        A   3 -15.138 -24.190   6.418
   24   2H5*    A   3          2H5*        A   3 -15.337 -22.882   7.609
   25    H4*    A   3           H4*        A   3 -12.932 -23.526   7.274
   26    H3*    A   3           H3*        A   3 -13.938 -20.766   6.853
   27    H1*    A   3           H1*        A   3 -10.946 -22.611   4.922
   28    H8     A   3           H8         A   3 -14.285 -21.349   3.369
   29   1H6     A   3          1H6         A   3 -11.044 -20.437  -1.795
   30   2H6     A   3          2H6         A   3 -12.644 -20.418  -1.087
   31    H2     A   3           H2         A   3  -8.194 -21.713   1.434
   32   1H2*    A   3          1H2*        A   3 -12.386 -20.090   5.331
   33   2H2*    A   3          2H2*        A   3 -11.078 -20.810   6.307
   34   1H5*    C   4          1H5*        C   4  -9.610 -21.317   8.579
   35   2H5*    C   4          2H5*        C   4  -9.363 -20.127   9.880
   36    H4*    C   4           H4*        C   4  -7.362 -20.340   8.375
   37    H3*    C   4           H3*        C   4  -8.789 -17.770   8.814
   38    H1*    C   4           H1*        C   4  -6.946 -18.955   5.462
   39   1H4     C   4          1H4         C   4 -11.044 -16.647   1.128
   40   2H4     C   4          2H4         C   4 -12.391 -16.779   2.236
   41    H5     C   4           H5         C   4 -12.150 -17.507   4.530
   42    H6     C   4           H6         C   4 -10.573 -18.299   6.238
   43   1H2*    C   4          1H2*        C   4  -8.204 -16.751   6.877
   44   2H2*    C   4          2H2*        C   4  -6.534 -17.346   7.005
   45   1H5*    T   5          1H5*        T   5  -4.167 -17.768   8.356
   46   2H5*    T   5          2H5*        T   5  -3.415 -16.575   9.437
   47    H4*    T   5           H4*        T   5  -2.423 -16.617   7.095
   48    H3*    T   5           H3*        T   5  -3.228 -14.211   8.520
   49   1H2*    T   5          1H2*        T   5  -4.452 -13.194   6.892
   50   2H2*    T   5          2H2*        T   5  -2.941 -13.157   5.942
   51    H1*    T   5           H1*        T   5  -3.554 -14.898   4.612
   52    H3     T   5           H3         T   5  -7.212 -13.518   2.342
   53   1H5M    T   5          1H5M        T   5  -8.751 -14.263   7.526
   54   2H5M    T   5          2H5M        T   5  -9.830 -14.860   6.245
   55   3H5M    T   5          3H5M        T   5  -9.606 -13.116   6.476
   56    H6     T   5           H6         T   5  -6.497 -14.724   6.949
   57   1H5*    G   6          1H5*        G   6   0.097 -13.638   5.395
   58   2H5*    G   6          2H5*        G   6   1.467 -12.676   6.013
   59    H4*    G   6           H4*        G   6   0.849 -12.113   3.648
   60    H3*    G   6           H3*        G   6   0.960 -10.129   5.775
   61    H1*    G   6           H1*        G   6  -1.594 -10.233   2.706
   62    H8     G   6           H8         G   6  -2.880 -10.641   6.383
   63    H1     G   6           H1         G   6  -7.361  -8.953   2.181
   64   1H2     G   6          1H2         G   6  -6.444  -8.676   0.151
   65   2H2     G   6          2H2         G   6  -4.737  -8.921  -0.144
   66   1H2*    G   6          1H2*        G   6  -1.024  -9.053   5.392
   67   2H2*    G   6          2H2*        G   6  -0.382  -8.628   3.786
   68   1H5*    C   7          1H5*        C   7   1.182  -9.063   1.441
   69   2H5*    C   7          2H5*        C   7   2.621  -8.114   1.002
   70    H4*    C   7           H4*        C   7   0.725  -7.541  -0.482
   71    H3*    C   7           H3*        C   7   2.087  -5.547   1.144
   72    H1*    C   7           H1*        C   7  -1.790  -5.669   0.209
   73   1H4     C   7          1H4         C   7  -5.421  -4.979   5.431
   74   2H4     C   7          2H4         C   7  -4.114  -5.457   6.491
   75    H5     C   7           H5         C   7  -1.895  -5.973   5.700
   76    H6     C   7           H6         C   7  -0.459  -6.186   3.724
   77   1H2*    C   7          1H2*        C   7   0.273  -4.450   2.005
   78   2H2*    C   7          2H2*        C   7  -0.169  -4.044   0.325
   79   1H5*    A   8          1H5*        A   8   0.139  -3.995  -2.923
   80   2H5*    A   8          2H5*        A   8   1.450  -3.149  -3.783
   81    H4*    A   8           H4*        A   8  -0.707  -2.003  -4.177
   82    H3*    A   8           H3*        A   8   1.570  -0.663  -2.966
   83    H1*    A   8           H1*        A   8  -2.301  -0.071  -2.135
   84    H8     A   8           H8         A   8   0.340  -1.116   0.599
   85   1H6     A   8          1H6         A   8  -4.222  -0.530   4.646
   86   2H6     A   8          2H6         A   8  -2.525  -0.885   4.417
   87    H2     A   8           H2         A   8  -5.902   0.333   0.540
   88   1H2*    A   8          1H2*        A   8   0.514   0.452  -1.288
   89   2H2*    A   8          2H2*        A   8  -0.467   1.247  -2.536
   90   1H5*    T   9          1H5*        T   9   1.871   4.346  -3.447
   91   2H5*    T   9          2H5*        T   9   2.592   3.762  -4.956
   92    H4*    T   9           H4*        T   9   3.888   2.054  -3.607
   93    H3*    T   9           H3*        T   9   2.314   3.128  -1.383
   94   1H2*    T   9          1H2*        T   9   3.914   4.361  -0.373
   95   2H2*    T   9          2H2*        T   9   4.940   2.909  -0.309
   96    H1*    T   9           H1*        T   9   6.214   3.552  -2.056
   97    H3     T   9           H3         T   9   7.890   7.522  -0.506
   98   1H5M    T   9          1H5M        T   9   2.905   8.678  -2.021
   99   2H5M    T   9          2H5M        T   9   3.901   9.052  -3.440
  100   3H5M    T   9          3H5M        T   9   4.159   9.934  -1.922
  101    H6     T   9           H6         T   9   3.753   6.281  -2.639
  102   1H5*    C  10          1H5*        C  10   5.706   0.512  -1.049
  103   2H5*    C  10          2H5*        C  10   5.532  -1.079  -0.269
  104    H4*    C  10           H4*        C  10   7.850  -0.164   0.008
  105    H3*    C  10           H3*        C  10   6.173  -1.028   2.200
  106    H1*    C  10           H1*        C  10   8.612   2.161   2.281
  107   1H4     C  10          1H4         C  10   5.108   7.190   4.216
  108   2H4     C  10          2H4         C  10   3.632   6.457   3.629
  109    H5     C  10           H5         C  10   3.563   4.282   2.570
  110    H6     C  10           H6         C  10   4.856   2.283   2.026
  111   1H2*    C  10          1H2*        C  10   6.311   0.767   3.579
  112   2H2*    C  10          2H2*        C  10   8.058   0.428   3.696
  113   1H5*    C  11          1H5*        C  11  10.821  -1.689   3.759
  114   2H5*    C  11          2H5*        C  11  10.665  -2.319   5.406
  115    H4*    C  11           H4*        C  11  11.440   0.274   4.740
  116    H3*    C  11           H3*        C  11  10.440  -0.945   7.288
  117    H1*    C  11           H1*        C  11   9.830   2.640   5.686
  118   1H4     C  11          1H4         C  11   3.976   4.102   7.798
  119   2H4     C  11          2H4         C  11   3.395   2.479   7.496
  120    H5     C  11           H5         C  11   4.822   0.695   6.668
  121    H6     C  11           H6         C  11   7.121   0.083   6.033
  122   1H2*    C  11          1H2*        C  11   9.377   0.912   8.042
  123   2H2*    C  11          2H2*        C  11  10.782   1.922   7.617
  124   1H5*    T  12          1H5*        T  12  13.883   2.138  10.435
  125   2H5*    T  12          2H5*        T  12  12.202   1.871  10.956
  126    H4*    T  12           H4*        T  12  12.807   4.263  11.221
  127    H3*    T  12           H3*        T  12  10.576   3.387   9.608
  128   1H2*    T  12          1H2*        T  12  10.885   4.544   7.684
  129   2H2*    T  12          2H2*        T  12  10.838   6.051   8.639
  130    H1*    T  12           H1*        T  12  13.095   6.332   8.427
  131    H3     T  12           H3         T  12  13.235   5.901   3.817
  132   1H5M    T  12          1H5M        T  12  15.146   1.670   4.189
  133   2H5M    T  12          2H5M        T  12  15.887   1.823   5.799
  134   3H5M    T  12          3H5M        T  12  14.294   1.045   5.620
  135    H6     T  12           H6         T  12  14.049   2.954   7.547
  136   1H5*    T  13          1H5*        T  13   8.885   7.009  11.415
  137   2H5*    T  13          2H5*        T  13   9.134   7.165  13.171
  138    H4*    T  13           H4*        T  13   6.965   8.203  12.468
  139    H3*    T  13           H3*        T  13   7.161   6.106  14.500
  140   1H2*    T  13          1H2*        T  13   5.444   4.785  13.906
  141   2H2*    T  13          2H2*        T  13   4.360   6.193  14.058
  142    H1*    T  13           H1*        T  13   4.219   6.447  11.792
  143    H3     T  13           H3         T  13   2.662   2.301  10.636
  144   1H5M    T  13          1H5M        T  13   6.971   0.800   9.624
  145   2H5M    T  13          2H5M        T  13   7.936   2.292   9.705
  146   3H5M    T  13          3H5M        T  13   7.707   1.300  11.166
  147    H6     T  13           H6         T  13   7.068   4.152  11.283
  148   1H5*    G  14          1H5*        G  14   7.092  12.017  15.027
  149   2H5*    G  14          2H5*        G  14   5.643  12.312  14.034
  150    H4*    G  14           H4*        G  14   8.465  11.570  13.279
  151    H3*    G  14           H3*        G  14   6.610  13.573  12.397
  152    H1*    G  14           H1*        G  14   7.834  10.479  10.252
  153    H8     G  14           H8         G  14   3.984  10.593  11.102
  154    H1     G  14           H1         G  14   5.923   5.582   7.673
  155   1H2     G  14          1H2         G  14   8.149   5.730   7.344
  156   2H2     G  14          2H2         G  14   9.095   7.062   7.968
  157   1H2*    G  14          1H2*        G  14   5.566  12.393  10.710
  158   2H2*    G  14          2H2*        G  14   7.098  12.615   9.830
  159   1H5*    G  15          1H5*        G  15  10.941  12.818  11.020
  160   2H5*    G  15          2H5*        G  15  11.821  14.267  10.465
  161    H4*    G  15           H4*        G  15  12.775  12.143   9.555
  162    H3*    G  15           H3*        G  15  11.879  14.320   7.849
  163    H1*    G  15           H1*        G  15  11.592  10.400   7.095
  164    H8     G  15           H8         G  15   8.391  12.597   7.585
  165    H1     G  15           H1         G  15   7.356   7.092   4.533
  166   1H2     G  15          1H2         G  15   9.284   5.970   4.293
  167   2H2     G  15          2H2         G  15  10.808   6.588   4.891
  168   1H2*    G  15          1H2*        G  15  10.636  13.131   6.340
  169   2H2*    G  15          2H2*        G  15  12.136  12.278   5.900
  170   1H5*    A  16          1H5*        A  16  14.731  11.166   6.887
  171   2H5*    A  16          2H5*        A  16  16.312  11.590   6.193
  172    H4*    A  16           H4*        A  16  15.595   9.314   5.490
  173    H3*    A  16           H3*        A  16  16.288  11.418   3.595
  174    H1*    A  16           H1*        A  16  13.560   8.555   3.187
  175    H8     A  16           H8         A  16  12.349  12.275   3.333
  176   1H6     A  16          1H6         A  16   7.411  10.352   0.229
  177   2H6     A  16          2H6         A  16   8.208  11.725   0.962
  178    H2     A  16           H2         A  16  10.092   6.795   0.904
  179   1H2*    A  16          1H2*        A  16  14.495  11.227   2.190
  180   2H2*    A  16          2H2*        A  16  15.084   9.592   1.816
  181   1H5*    C  17          1H5*        C  17  15.782   7.260   2.811
  182   2H5*    C  17          2H5*        C  17  17.258   6.396   2.332
  183    H4*    C  17           H4*        C  17  15.359   5.099   1.555
  184    H3*    C  17           H3*        C  17  17.197   6.283  -0.384
  185    H1*    C  17           H1*        C  17  13.286   5.651  -0.748
  186   1H4     C  17          1H4         C  17  10.413  10.775  -3.291
  187   2H4     C  17          2H4         C  17  11.644  11.855  -2.676
  188    H5     C  17           H5         C  17  13.553  11.101  -1.413
  189    H6     C  17           H6         C  17  14.716   9.147  -0.496
  190   1H2*    C  17          1H2*        C  17  15.662   7.077  -1.889
  191   2H2*    C  17          2H2*        C  17  15.126   5.387  -2.098
  192   1H5*    G  18          1H5*        G  18  15.016   2.551  -1.667
  193   2H5*    G  18          2H5*        G  18  16.089   1.252  -2.266
  194    H4*    G  18           H4*        G  18  13.979   1.390  -3.578
  195    H3*    G  18           H3*        G  18  16.591   1.622  -4.809
  196    H1*    G  18           H1*        G  18  13.265   3.475  -5.826
  197    H8     G  18           H8         G  18  16.087   5.835  -4.427
  198    H1     G  18           H1         G  18  11.437   8.701  -7.721
  199   1H2     G  18          1H2         G  18   9.972   7.151  -8.450
  200   2H2     G  18          2H2         G  18  10.175   5.447  -8.108
  201   1H2*    G  18          1H2*        G  18  16.274   3.648  -5.875
  202   2H2*    G  18          2H2*        G  18  15.158   2.741  -6.931
  203   1H5*    C  19          1H5*        C  19  15.910  -0.310  -9.412
  204   2H5*    C  19          2H5*        C  19  16.212   0.919  -8.190
  205    H4*    C  19           H4*        C  19  13.551   0.071  -7.686
  206    H3*    C  19           H3*        C  19  13.937  -0.526 -10.426
  207    H1*    C  19           H1*        C  19  12.450   2.947  -9.173
  208   1H4     C  19          1H4         C  19  15.726   7.774 -11.843
  209   2H4     C  19          2H4         C  19  17.253   6.987 -11.518
  210    H5     C  19           H5         C  19  17.426   4.817 -10.476
  211    H6     C  19           H6         C  19  16.170   2.918  -9.565
  212   1H2*    C  19          1H2*        C  19  14.132   1.616 -11.276
  213   2H2*    C  19          2H2*        C  19  12.360   1.631 -11.074
  214   1H5*    T  20          1H5*        T  20   9.138  -0.641 -12.723
  215   2H5*    T  20          2H5*        T  20  10.664  -0.222 -13.532
  216    H4*    T  20           H4*        T  20   8.899   1.208 -14.386
  217    H3*    T  20           H3*        T  20  11.242   2.302 -13.324
  218   1H2*    T  20          1H2*        T  20  10.552   3.272 -11.363
  219   2H2*    T  20          2H2*        T  20   9.767   4.485 -12.406
  220    H1*    T  20           H1*        T  20   7.694   3.706 -11.877
  221    H3     T  20           H3         T  20   8.727   3.835  -7.262
  222   1H5M    T  20          1H5M        T  20   7.753  -0.713  -7.059
  223   2H5M    T  20          2H5M        T  20   6.823  -0.910  -8.563
  224   3H5M    T  20          3H5M        T  20   8.568  -1.265  -8.540
  225    H6     T  20           H6         T  20   7.963   0.460 -10.623
  226   1H5*    T  21          1H5*        T  21  10.478   5.872 -14.480
  227   2H5*    T  21          2H5*        T  21   9.941   6.155 -16.149
  228    H4*    T  21           H4*        T  21  11.124   8.128 -15.034
  229    H3*    T  21           H3*        T  21  11.515   7.212 -17.727
  230   1H2*    T  21          1H2*        T  21  13.745   6.763 -17.742
  231   2H2*    T  21          2H2*        T  21  13.982   8.517 -17.505
  232    H1*    T  21           H1*        T  21  14.582   8.238 -15.312
  233    H3     T  21           H3         T  21  18.125   5.459 -16.345
  234   1H5M    T  21          1H5M        T  21  15.729   1.705 -14.969
  235   2H5M    T  21          2H5M        T  21  14.791   2.493 -13.677
  236   3H5M    T  21          3H5M        T  21  14.048   2.202 -15.270
  237    H6     T  21           H6         T  21  13.566   4.774 -14.923
  238   1H5*    G  22          1H5*        G  22   8.725  12.043 -17.899
  239   2H5*    G  22          2H5*        G  22   9.730  13.257 -17.081
  240    H4*    G  22           H4*        G  22   7.246  12.045 -16.229
  241    H3*    G  22           H3*        G  22   8.836  14.279 -15.363
  242    H1*    G  22           H1*        G  22   8.571  11.059 -12.878
  243    H8     G  22           H8         G  22  11.512  12.875 -14.703
  244    H1     G  22           H1         G  22  13.224   7.577 -11.604
  245   1H2     G  22          1H2         G  22  11.398   6.537 -10.802
  246   2H2     G  22          2H2         G  22   9.784   7.171 -11.037
  247   1H2*    G  22          1H2*        G  22   9.642  13.679 -13.341
  248   2H2*    G  22          2H2*        G  22   7.997  13.263 -12.817
  249   1H5*    C  23          1H5*        C  23   6.574  10.207 -14.575
  250   2H5*    C  23          2H5*        C  23   4.840  10.520 -14.373
  251    H4*    C  23           H4*        C  23   5.560   8.563 -13.037
  252    H3*    C  23           H3*        C  23   4.248  10.886 -11.836
  253    H1*    C  23           H1*        C  23   6.914   8.413 -10.314
  254   1H4     C  23          1H4         C  23  11.923  11.067  -7.418
  255   2H4     C  23          2H4         C  23  11.576  12.655  -8.064
  256    H5     C  23           H5         C  23   9.653  13.117  -9.473
  257    H6     C  23           H6         C  23   7.714  12.135 -10.617
  258   1H2*    C  23          1H2*        C  23   5.625  11.122 -10.007
  259   2H2*    C  23          2H2*        C  23   5.057   9.508  -9.501
  260   1H5*    G  24          1H5*        G  24   3.666   6.548  -9.900
  261   2H5*    G  24          2H5*        G  24   1.891   6.347  -9.817
  262    H4*    G  24           H4*        G  24   2.849   5.132  -7.956
  263    H3*    G  24           H3*        G  24   1.412   7.624  -7.346
  264    H1*    G  24           H1*        G  24   4.524   5.999  -5.441
  265    H8     G  24           H8         G  24   4.348   9.717  -6.696
  266    H1     G  24           H1         G  24   9.692   8.320  -3.516
  267   1H2     G  24          1H2         G  24   9.748   6.140  -3.007
  268   2H2     G  24          2H2         G  24   8.457   5.042  -3.438
  269   1H2*    G  24          1H2*        G  24   2.676   8.347  -5.626
  270   2H2*    G  24          2H2*        G  24   2.443   6.777  -4.820
  271   1H5*    C  25          1H5*        C  25  -1.046   4.592  -4.773
  272   2H5*    C  25          2H5*        C  25  -1.581   3.361  -5.935
  273    H4*    C  25           H4*        C  25  -3.878   4.265  -5.887
  274    H3*    C  25           H3*        C  25  -2.653   6.604  -4.694
  275    H1*    C  25           H1*        C  25  -5.058   3.996  -2.816
  276   1H4     C  25          1H4         C  25  -2.134   2.853   2.792
  277   2H4     C  25          2H4         C  25  -0.620   2.555   1.966
  278    H5     C  25           H5         C  25  -0.345   2.801  -0.423
  279    H6     C  25           H6         C  25  -1.424   3.513  -2.511
  280   1H2*    C  25          1H2*        C  25  -3.075   6.203  -2.486
  281   2H2*    C  25          2H2*        C  25  -4.810   6.287  -2.899
  282   1H5*    C  26          1H5*        C  26  -7.168   6.500  -4.260
  283   2H5*    C  26          2H5*        C  26  -7.881   7.932  -5.041
  284    H4*    C  26           H4*        C  26  -9.106   7.335  -2.948
  285    H3*    C  26           H3*        C  26  -7.928   9.959  -3.429
  286    H1*    C  26           H1*        C  26  -8.117   8.030   0.075
  287   1H4     C  26          1H4         C  26  -2.314   8.281   2.771
  288   2H4     C  26          2H4         C  26  -1.526   8.462   1.220
  289    H5     C  26           H5         C  26  -2.735   8.604  -0.868
  290    H6     C  26           H6         C  26  -4.959   8.622  -1.911
  291   1H2*    C  26          1H2*        C  26  -6.912  10.315  -1.419
  292   2H2*    C  26          2H2*        C  26  -8.518  10.156  -0.664
  293   1H5*    A  27          1H5*        A  27 -11.549   9.865  -0.403
  294   2H5*    A  27          2H5*        A  27 -12.670  11.164  -0.874
  295    H4*    A  27           H4*        A  27 -12.532  10.995   1.593
  296    H3*    A  27           H3*        A  27 -11.883  13.447   0.156
  297    H1*    A  27           H1*        A  27 -10.156  12.067   3.482
  298    H8     A  27           H8         A  27  -8.102  12.425   0.152
  299   1H6     A  27          1H6         A  27  -3.115  12.408   3.735
  300   2H6     A  27          2H6         A  27  -3.710  12.488   2.092
  301    H2     A  27           H2         A  27  -6.726  12.073   6.400
  302   1H2*    A  27          1H2*        A  27  -9.939  14.007   1.219
  303   2H2*    A  27          2H2*        A  27 -10.885  14.097   2.728
  304   1H5*    C  28          1H5*        C  28 -13.298  13.734   4.441
  305   2H5*    C  28          2H5*        C  28 -13.912  15.257   5.111
  306    H4*    C  28           H4*        C  28 -11.851  14.105   6.257
  307    H3*    C  28           H3*        C  28 -12.287  17.004   5.785
  308    H1*    C  28           H1*        C  28  -9.028  14.813   6.027
  309   1H4     C  28          1H4         C  28  -4.548  16.997   2.069
  310   2H4     C  28          2H4         C  28  -5.716  17.377   0.823
  311    H5     C  28           H5         C  28  -8.111  17.039   1.105
  312    H6     C  28           H6         C  28  -9.876  16.343   2.676
  313   1H2*    C  28          1H2*        C  28 -10.121  17.514   5.292
  314   2H2*    C  28          2H2*        C  28  -9.654  16.858   6.885
  315   1H5*    T  29          1H5*        T  29 -10.379  18.206  11.089
  316   2H5*    T  29          2H5*        T  29  -9.856  19.231   9.731
  317    H4*    T  29           H4*        T  29  -7.906  18.798  11.129
  318    H3*    T  29           H3*        T  29  -7.900  18.100   8.401
  319   1H2*    T  29          1H2*        T  29  -7.978  15.791   8.562
  320   2H2*    T  29          2H2*        T  29  -6.233  15.980   8.907
  321    H1*    T  29           H1*        T  29  -6.501  15.606  11.154
  322    H3     T  29           H3         T  29  -7.675  11.199  10.652
  323   1H5M    T  29          1H5M        T  29 -12.228  12.194  10.708
  324   2H5M    T  29          2H5M        T  29 -12.195  13.703  11.648
  325   3H5M    T  29          3H5M        T  29 -12.224  13.762   9.868
  326    H6     T  29           H6         T  29 -10.160  15.331  10.727
  327   1H5*    T  30          1H5*        T  30  -3.653  18.180   9.252
  328   2H5*    T  30          2H5*        T  30  -3.015  19.481  10.281
  329    H4*    T  30           H4*        T  30  -1.313  18.600   8.623
  330    H3*    T  30           H3*        T  30  -1.804  21.344   9.142
  331   1H2*    T  30          1H2*        T  30  -2.693  22.037   7.143
  332   2H2*    T  30          2H2*        T  30  -1.022  21.867   6.535
  333    H1*    T  30           H1*        T  30  -1.519  19.940   5.381
  334    H3     T  30           H3         T  30  -4.598  22.231   2.771
  335   1H5M    T  30          1H5M        T  30  -8.121  20.068   4.905
  336   2H5M    T  30          2H5M        T  30  -7.277  18.641   5.551
  337   3H5M    T  30          3H5M        T  30  -7.521  20.075   6.580
  338    H6     T  30           H6         T  30  -4.856  19.349   6.632
  339   1H5*    G  31          1H5*        G  31   3.072  18.770  10.784
  340   2H5*    G  31          2H5*        G  31   3.695  18.281   9.189
  341    H4*    G  31           H4*        G  31   1.359  17.282  10.823
  342    H3*    G  31           H3*        G  31   3.566  16.021   9.413
  343    H1*    G  31           H1*        G  31  -0.293  15.712   8.701
  344    H8     G  31           H8         G  31   1.859  17.180   5.736
  345    H1     G  31           H1         G  31  -4.312  16.165   4.481
  346   1H2     G  31          1H2         G  31  -5.324  15.371   6.340
  347   2H2     G  31          2H2         G  31  -4.450  15.112   7.833
  348   1H2*    G  31          1H2*        G  31   2.448  15.498   7.468
  349   2H2*    G  31          2H2*        G  31   1.544  14.340   8.473
  350   1H5*    T  32          1H5*        T  32   0.666  13.975  12.552
  351   2H5*    T  32          2H5*        T  32   1.261  12.430  13.197
  352    H4*    T  32           H4*        T  32  -1.261  12.560  13.147
  353    H3*    T  32           H3*        T  32   0.259  10.342  12.027
  354   1H2*    T  32          1H2*        T  32  -0.824  10.144  10.031
  355   2H2*    T  32          2H2*        T  32  -2.298   9.827  10.980
  356    H1*    T  32           H1*        T  32  -3.142  11.908  10.658
  357    H3     T  32           H3         T  32  -3.815  12.347   6.197
  358   1H5M    T  32          1H5M        T  32   1.576  12.222   6.965
  359   2H5M    T  32          2H5M        T  32   0.980  13.612   6.036
  360   3H5M    T  32          3H5M        T  32   0.839  11.976   5.369
  361    H6     T  32           H6         T  32   0.170  12.245   8.908
  362   1H5*    G  33          1H5*        G  33  -4.009   9.559  13.311
  363   2H5*    G  33          2H5*        G  33  -4.204   8.100  14.326
  364    H4*    G  33           H4*        G  33  -6.079   8.428  12.693
  365    H3*    G  33           H3*        G  33  -4.499   5.991  12.831
  366    H1*    G  33           H1*        G  33  -6.055   7.683   9.585
  367    H8     G  33           H8         G  33  -2.150   7.560   9.941
  368    H1     G  33           H1         G  33  -4.295   8.101   3.961
  369   1H2     G  33          1H2         G  33  -6.544   8.052   3.953
  370   2H2     G  33          2H2         G  33  -7.478   7.897   5.423
  371   1H2*    G  33          1H2*        G  33  -4.018   5.740  10.606
  372   2H2*    G  33          2H2*        G  33  -5.771   5.542  10.350
  373   1H5*    G  34          1H5*        G  34  -8.305   6.376  10.705
  374   2H5*    G  34          2H5*        G  34  -9.601   5.421  11.479
  375    H4*    G  34           H4*        G  34 -10.194   5.821   9.147
  376    H3*    G  34           H3*        G  34  -9.669   3.108  10.052
  377    H1*    G  34           H1*        G  34  -8.847   4.659   6.468
  378    H8     G  34           H8         G  34  -5.928   3.552   8.840
  379    H1     G  34           H1         G  34  -4.387   3.731   2.653
  380   1H2     G  34          1H2         G  34  -6.176   4.318   1.433
  381   2H2     G  34          2H2         G  34  -7.730   4.666   2.158
  382   1H2*    G  34          1H2*        G  34  -8.313   2.407   8.361
  383   2H2*    G  34          2H2*        G  34  -9.690   2.672   7.261
  384   1H5*    T  35          1H5*        T  35 -12.658   3.525   6.271
  385   2H5*    T  35          2H5*        T  35 -14.080   2.603   6.812
  386    H4*    T  35           H4*        T  35 -13.802   2.296   4.391
  387    H3*    T  35           H3*        T  35 -13.579   0.049   6.248
  388   1H2*    T  35          1H2*        T  35 -11.824  -1.068   5.331
  389   2H2*    T  35          2H2*        T  35 -12.707  -1.131   3.790
  390    H1*    T  35           H1*        T  35 -11.529   0.577   2.860
  391    H3     T  35           H3         T  35  -7.065  -0.165   2.742
  392   1H5M    T  35          1H5M        T  35  -7.279  -1.289   7.424
  393   2H5M    T  35          2H5M        T  35  -8.502  -0.149   8.014
  394   3H5M    T  35          3H5M        T  35  -6.891   0.435   7.544
  395    H6     T  35           H6         T  35 -10.174   0.316   6.390
  396   1H5*    G  36          1H5*        G  36 -14.686  -0.647   2.002
  397   2H5*    G  36          2H5*        G  36 -16.008  -1.795   1.647
  398    H4*    G  36           H4*        G  36 -14.076  -1.913   0.026
  399    H3*    G  36           H3*        G  36 -15.134  -4.215   1.463
  400    H1*    G  36           H1*        G  36 -11.330  -3.510   0.489
  401    H8     G  36           H8         G  36 -12.382  -3.598   4.266
  402    H1     G  36           H1         G  36  -6.196  -4.723   3.192
  403   1H2     G  36          1H2         G  36  -5.786  -4.675   0.982
  404   2H2     G  36          2H2         G  36  -7.041  -4.365  -0.195
  405   1H2*    G  36          1H2*        G  36 -13.172  -5.117   2.215
  406   2H2*    G  36          2H2*        G  36 -12.723  -5.327   0.506
  407   1H5*    C  37          1H5*        C  37 -13.177  -4.377  -2.637
  408   2H5*    C  37          2H5*        C  37 -13.995  -5.385  -3.852
  409    H4*    C  37           H4*        C  37 -11.490  -5.279  -4.174
  410    H3*    C  37           H3*        C  37 -13.040  -7.748  -4.029
  411    H1*    C  37           H1*        C  37  -9.356  -7.144  -2.571
  412   1H4     C  37          1H4         C  37  -9.241  -9.276   3.468
  413   2H4     C  37          2H4         C  37 -10.971  -9.080   3.639
  414    H5     C  37           H5         C  37 -12.402  -8.356   1.841
  415    H6     C  37           H6         C  37 -12.483  -7.621  -0.499
  416   1H2*    C  37          1H2*        C  37 -11.723  -8.960  -2.612
  417   2H2*    C  37          2H2*        C  37 -10.403  -8.763  -3.793
  418   1H5*    A  38          1H5*        A  38  -8.963  -7.925  -6.203
  419   2H5*    A  38          2H5*        A  38  -9.107  -8.783  -7.756
  420    H4*    A  38           H4*        A  38  -6.975  -9.361  -6.617
  421    H3*    A  38           H3*        A  38  -8.930 -11.365  -7.412
  422    H1*    A  38           H1*        A  38  -6.614 -11.427  -4.160
  423    H8     A  38           H8         A  38 -10.524 -11.228  -3.844
  424   1H6     A  38          1H6         A  38  -9.693 -12.977   1.988
  425   2H6     A  38          2H6         A  38 -10.866 -12.487   0.785
  426    H2     A  38           H2         A  38  -5.661 -12.848  -0.005
  427   1H2*    A  38          1H2*        A  38  -9.017 -12.600  -5.490
  428   2H2*    A  38          2H2*        A  38  -7.287 -12.942  -5.730
  429   1H5*    G  39          1H5*        G  39  -4.729 -12.514  -6.479
  430   2H5*    G  39          2H5*        G  39  -3.926 -13.457  -7.766
  431    H4*    G  39           H4*        G  39  -3.127 -14.161  -5.544
  432    H3*    G  39           H3*        G  39  -4.493 -16.037  -7.299
  433    H1*    G  39           H1*        G  39  -4.576 -15.882  -3.335
  434    H8     G  39           H8         G  39  -7.939 -15.233  -5.263
  435    H1     G  39           H1         G  39  -8.617 -16.864   0.865
  436   1H2     G  39          1H2         G  39  -6.601 -17.283   1.766
  437   2H2     G  39          2H2         G  39  -5.119 -17.141   0.848
  438   1H2*    G  39          1H2*        G  39  -5.974 -16.916  -5.782
  439   2H2*    G  39          2H2*        G  39  -4.550 -17.552  -4.918
  440   1H5*    T  40          1H5*        T  40  -2.022 -17.478  -3.939
  441   2H5*    T  40          2H5*        T  40  -0.770 -18.683  -4.322
  442    H4*    T  40           H4*        T  40  -1.815 -19.128  -2.101
  443    H3*    T  40           H3*        T  40  -1.951 -21.071  -4.338
  444   1H2*    T  40          1H2*        T  40  -3.996 -21.981  -3.779
  445   2H2*    T  40          2H2*        T  40  -3.370 -22.311  -2.138
  446    H1*    T  40           H1*        T  40  -4.300 -20.405  -1.236
  447    H3     T  40           H3         T  40  -8.749 -21.026  -1.413
  448   1H5M    T  40          1H5M        T  40  -7.409 -20.388  -6.529
  449   2H5M    T  40          2H5M        T  40  -7.833 -18.752  -5.987
  450   3H5M    T  40          3H5M        T  40  -9.056 -20.037  -5.956
  451    H6     T  40           H6         T  40  -5.490 -19.946  -4.789
  452   1H5*    G  41          1H5*        G  41  -1.549 -22.705   0.028
  453   2H5*    G  41          2H5*        G  41  -0.474 -24.131   0.039
  454    H4*    G  41           H4*        G  41  -2.405 -24.467   1.530
  455    H3*    G  41           H3*        G  41  -2.156 -26.156  -0.913
  456    H1*    G  41           H1*        G  41  -5.362 -24.988   1.134
  457    H8     G  41           H8         G  41  -4.839 -24.251  -2.680
  458    H1     G  41           H1         G  41 -10.920 -24.483  -0.783
  459   1H2     G  41          1H2         G  41 -11.011 -25.040   1.398
  460   2H2     G  41          2H2         G  41  -9.570 -25.335   2.345
  461   1H2*    G  41          1H2*        G  41  -4.376 -26.608  -1.151
  462   2H2*    G  41          2H2*        G  41  -4.494 -27.023   0.580
  463   1H5*    C  42          1H5*        C  42  -3.651 -27.464   3.045
  464   2H5*    C  42          2H5*        C  42  -2.938 -28.972   3.663
  465    H4*    C  42           H4*        C  42  -5.280 -28.727   4.433
  466    H3*    C  42           H3*        C  42  -4.488 -30.993   2.672
  467    H1*    C  42           H1*        C  42  -8.025 -29.137   2.893
  468   1H4     C  42          1H4         C  42  -9.758 -29.190  -3.271
  469   2H4     C  42          2H4         C  42  -8.092 -29.216  -3.804
  470    H5     C  42           H5         C  42  -6.218 -29.290  -2.285
  471    H6     C  42           H6         C  42  -5.535 -29.369   0.074
  472   1H2*    C  42          1H2*        C  42  -6.549 -31.434   1.814
  473   2H2*    C  42          2H2*        C  42  -7.298 -31.234   3.422
  474   1HN1  NCO  43          1HN1      NCO  43   5.770  11.158   3.730
  475   2HN1  NCO  43          2HN1      NCO  43   6.021  10.099   2.535
  476   3HN1  NCO  43          3HN1      NCO  43   6.069  11.689   2.227
  477   1HN2  NCO  43          1HN2      NCO  43   1.377  11.573   1.270
  478   2HN2  NCO  43          2HN2      NCO  43   1.276  10.063   1.847
  479   3HN2  NCO  43          3HN2      NCO  43   1.128  11.329   2.848
  480   1HN3  NCO  43          1HN3      NCO  43   2.413   9.550   4.136
  481   2HN3  NCO  43          2HN3      NCO  43   4.007   9.276   4.243
  482   3HN3  NCO  43          3HN3      NCO  43   3.370  10.608   4.904
  483   1HN4  NCO  43          1HN4      NCO  43   4.319  13.236   3.350
  484   2HN4  NCO  43          2HN4      NCO  43   2.795  13.354   2.812
  485   3HN4  NCO  43          3HN4      NCO  43   3.095  12.660   4.240
  486   1HN5  NCO  43          1HN5      NCO  43   3.144  11.915   0.035
  487   2HN5  NCO  43          2HN5      NCO  43   4.222  12.877   0.772
  488   3HN5  NCO  43          3HN5      NCO  43   4.695  11.471   0.120
  489   1HN6  NCO  43          1HN6      NCO  43   3.285   9.248   0.525
  490   2HN6  NCO  43          2HN6      NCO  43   4.710   8.958   1.228
  491   3HN6  NCO  43          3HN6      NCO  43   3.341   8.464   1.941
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1 -16.016 -29.915  -5.791
    2   2H5*    G   1          2H5*        G   1 -17.101 -28.498  -5.714
    3    H4*    G   1           H4*        G   1 -16.722 -29.308  -3.448
    4    H3*    G   1           H3*        G   1 -15.601 -26.723  -4.239
    5    H1*    G   1           H1*        G   1 -13.777 -29.364  -1.785
    6    H8     G   1           H8         G   1 -12.714 -28.958  -5.458
    7    H1     G   1           H1         G   1  -7.805 -28.722  -1.382
    8   1H2     G   1          1H2         G   1  -8.574 -28.699   0.732
    9   2H2     G   1          2H2         G   1 -10.282 -28.741   1.108
   10   1H2*    G   1          1H2*        G   1 -13.637 -26.758  -3.107
   11   2H2*    G   1          2H2*        G   1 -14.505 -27.207  -1.616
   12   1H5*    C   2          1H5*        C   2 -16.422 -27.132   0.192
   13   2H5*    C   2          2H5*        C   2 -17.260 -25.717   0.874
   14    H4*    C   2           H4*        C   2 -15.314 -26.530   2.282
   15    H3*    C   2           H3*        C   2 -15.634 -23.752   1.315
   16    H1*    C   2           H1*        C   2 -12.196 -25.756   1.826
   17   1H4     C   2          1H4         C   2  -8.846 -23.719  -3.228
   18   2H4     C   2          2H4         C   2 -10.285 -23.594  -4.214
   19    H5     C   2           H5         C   2 -12.508 -24.055  -3.372
   20    H6     C   2           H6         C   2 -13.819 -24.717  -1.400
   21   1H2*    C   2          1H2*        C   2 -13.444 -23.197   1.117
   22   2H2*    C   2          2H2*        C   2 -13.106 -23.879   2.730
   23   1H5*    A   3          1H5*        A   3 -13.427 -24.385   5.373
   24   2H5*    A   3          2H5*        A   3 -14.014 -23.180   6.543
   25    H4*    A   3           H4*        A   3 -11.539 -23.461   6.675
   26    H3*    A   3           H3*        A   3 -12.797 -20.854   6.021
   27    H1*    A   3           H1*        A   3  -9.273 -22.261   4.718
   28    H8     A   3           H8         A   3 -12.413 -21.409   2.575
   29   1H6     A   3          1H6         A   3  -8.442 -20.055  -1.941
   30   2H6     A   3          2H6         A   3 -10.132 -20.232  -1.526
   31    H2     A   3           H2         A   3  -6.076 -21.026   1.750
   32   1H2*    A   3          1H2*        A   3 -11.081 -19.959   4.827
   33   2H2*    A   3          2H2*        A   3  -9.903 -20.521   6.043
   34   1H5*    C   4          1H5*        C   4  -8.896 -20.885   8.518
   35   2H5*    C   4          2H5*        C   4  -9.021 -19.724   9.862
   36    H4*    C   4           H4*        C   4  -6.769 -19.660   8.759
   37    H3*    C   4           H3*        C   4  -8.536 -17.283   8.942
   38    H1*    C   4           H1*        C   4  -5.989 -18.165   5.977
   39   1H4     C   4          1H4         C   4  -9.447 -16.294   0.935
   40   2H4     C   4          2H4         C   4 -10.953 -16.606   1.769
   41    H5     C   4           H5         C   4 -11.062 -17.348   4.068
   42    H6     C   4           H6         C   4  -9.751 -17.961   6.053
   43   1H2*    C   4          1H2*        C   4  -7.758 -16.163   7.131
   44   2H2*    C   4          2H2*        C   4  -6.075 -16.543   7.560
   45   1H5*    T   5          1H5*        T   5  -3.982 -16.763   9.208
   46   2H5*    T   5          2H5*        T   5  -3.524 -15.595  10.467
   47    H4*    T   5           H4*        T   5  -2.146 -15.341   8.379
   48    H3*    T   5           H3*        T   5  -3.563 -13.147   9.659
   49   1H2*    T   5          1H2*        T   5  -4.555 -12.211   7.834
   50   2H2*    T   5          2H2*        T   5  -2.906 -11.943   7.210
   51    H1*    T   5           H1*        T   5  -3.003 -13.677   5.756
   52    H3     T   5           H3         T   5  -6.295 -12.718   2.810
   53   1H5M    T   5          1H5M        T   5  -8.712 -13.752   7.595
   54   2H5M    T   5          2H5M        T   5  -9.434 -14.469   6.137
   55   3H5M    T   5          3H5M        T   5  -9.481 -12.712   6.378
   56    H6     T   5           H6         T   5  -6.348 -13.968   7.462
   57   1H5*    G   6          1H5*        G   6   0.180 -12.187   7.327
   58   2H5*    G   6          2H5*        G   6   1.348 -11.090   8.113
   59    H4*    G   6           H4*        G   6   1.125 -10.672   5.659
   60    H3*    G   6           H3*        G   6   0.659  -8.600   7.656
   61    H1*    G   6           H1*        G   6  -1.203  -9.083   4.162
   62    H8     G   6           H8         G   6  -3.220  -9.494   7.497
   63    H1     G   6           H1         G   6  -6.783  -8.133   2.394
   64   1H2     G   6          1H2         G   6  -5.474  -7.815   0.601
   65   2H2     G   6          2H2         G   6  -3.732  -7.954   0.681
   66   1H2*    G   6          1H2*        G   6  -1.294  -7.732   6.829
   67   2H2*    G   6          2H2*        G   6  -0.384  -7.317   5.357
   68   1H5*    C   7          1H5*        C   7   1.426  -7.793   3.445
   69   2H5*    C   7          2H5*        C   7   2.814  -6.748   3.064
   70    H4*    C   7           H4*        C   7   1.060  -6.495   1.344
   71    H3*    C   7           H3*        C   7   2.027  -4.241   2.908
   72    H1*    C   7           H1*        C   7  -1.672  -4.850   1.559
   73   1H4     C   7          1H4         C   7  -6.007  -4.148   6.200
   74   2H4     C   7          2H4         C   7  -4.816  -4.420   7.453
   75    H5     C   7           H5         C   7  -2.470  -4.732   6.998
   76    H6     C   7           H6         C   7  -0.766  -4.922   5.246
   77   1H2*    C   7          1H2*        C   7   0.026  -3.275   3.459
   78   2H2*    C   7          2H2*        C   7  -0.243  -3.062   1.709
   79   1H5*    A   8          1H5*        A   8   0.672  -3.463  -1.629
   80   2H5*    A   8          2H5*        A   8   1.969  -2.514  -2.394
   81    H4*    A   8           H4*        A   8  -0.252  -1.844  -3.294
   82    H3*    A   8           H3*        A   8   1.575   0.032  -2.096
   83    H1*    A   8           H1*        A   8  -2.415   0.079  -1.702
   84    H8     A   8           H8         A   8  -0.035  -0.458   1.388
   85   1H6     A   8          1H6         A   8  -5.053  -0.067   4.857
   86   2H6     A   8          2H6         A   8  -3.317  -0.288   4.828
   87    H2     A   8           H2         A   8  -6.339   0.371   0.550
   88   1H2*    A   8          1H2*        A   8   0.196   1.035  -0.583
   89   2H2*    A   8          2H2*        A   8  -0.736   1.611  -1.981
   90   1H5*    T   9          1H5*        T   9   3.190   3.585  -3.695
   91   2H5*    T   9          2H5*        T   9   3.480   3.039  -5.362
   92    H4*    T   9           H4*        T   9   5.289   1.583  -4.643
   93    H3*    T   9           H3*        T   9   4.035   1.810  -2.015
   94   1H2*    T   9          1H2*        T   9   5.556   3.058  -0.951
   95   2H2*    T   9          2H2*        T   9   6.792   1.844  -1.363
   96    H1*    T   9           H1*        T   9   7.641   3.085  -3.039
   97    H3     T   9           H3         T   9   8.879   6.790  -0.630
   98   1H5M    T   9          1H5M        T   9   3.698   7.525  -1.730
   99   2H5M    T   9          2H5M        T   9   4.599   8.362  -3.009
  100   3H5M    T   9          3H5M        T   9   4.775   8.879  -1.322
  101    H6     T   9           H6         T   9   4.811   5.461  -2.834
  102   1H5*    C  10          1H5*        C  10   8.027  -0.283  -2.329
  103   2H5*    C  10          2H5*        C  10   8.003  -1.915  -1.620
  104    H4*    C  10           H4*        C  10  10.135  -0.634  -1.119
  105    H3*    C  10           H3*        C  10   8.479  -1.988   0.852
  106    H1*    C  10           H1*        C  10  10.363   1.511   1.375
  107   1H4     C  10          1H4         C  10   6.071   5.709   3.657
  108   2H4     C  10          2H4         C  10   4.740   4.808   2.966
  109    H5     C  10           H5         C  10   5.024   2.753   1.740
  110    H6     C  10           H6         C  10   6.632   1.066   0.989
  111   1H2*    C  10          1H2*        C  10   8.281  -0.356   2.418
  112   2H2*    C  10          2H2*        C  10  10.055  -0.416   2.582
  113   1H5*    C  11          1H5*        C  11  13.097  -2.583   3.080
  114   2H5*    C  11          2H5*        C  11  12.499  -3.038   4.682
  115    H4*    C  11           H4*        C  11  13.426  -0.462   3.801
  116    H3*    C  11           H3*        C  11  12.348  -1.537   6.392
  117    H1*    C  11           H1*        C  11  11.496   1.901   4.561
  118   1H4     C  11          1H4         C  11   5.495   2.385   6.756
  119   2H4     C  11          2H4         C  11   5.181   0.704   6.391
  120    H5     C  11           H5         C  11   6.871  -0.798   5.523
  121    H6     C  11           H6         C  11   9.236  -1.021   4.891
  122   1H2*    C  11          1H2*        C  11  11.345   0.394   7.048
  123   2H2*    C  11          2H2*        C  11  12.690   1.375   6.414
  124   1H5*    T  12          1H5*        T  12  15.414   1.559   9.701
  125   2H5*    T  12          2H5*        T  12  13.750   1.071  10.104
  126    H4*    T  12           H4*        T  12  14.031   3.488  10.519
  127    H3*    T  12           H3*        T  12  12.082   2.452   8.629
  128   1H2*    T  12          1H2*        T  12  12.244   3.905   6.906
  129   2H2*    T  12          2H2*        T  12  12.108   5.275   8.038
  130    H1*    T  12           H1*        T  12  14.332   5.726   7.782
  131    H3     T  12           H3         T  12  14.508   5.166   3.141
  132   1H5M    T  12          1H5M        T  12  17.238   1.438   3.724
  133   2H5M    T  12          2H5M        T  12  17.772   1.671   5.405
  134   3H5M    T  12          3H5M        T  12  16.360   0.643   5.051
  135    H6     T  12           H6         T  12  15.781   2.566   6.997
  136   1H5*    T  13          1H5*        T  13   9.657   5.548  10.774
  137   2H5*    T  13          2H5*        T  13   9.850   5.448  12.541
  138    H4*    T  13           H4*        T  13   7.552   6.243  11.853
  139    H3*    T  13           H3*        T  13   8.045   3.919  13.613
  140   1H2*    T  13          1H2*        T  13   6.398   2.551  12.931
  141   2H2*    T  13          2H2*        T  13   5.217   3.872  13.135
  142    H1*    T  13           H1*        T  13   5.114   4.226  10.885
  143    H3     T  13           H3         T  13   4.165   0.080   9.212
  144   1H5M    T  13          1H5M        T  13   8.680  -0.914   8.587
  145   2H5M    T  13          2H5M        T  13   9.455   0.671   8.808
  146   3H5M    T  13          3H5M        T  13   9.230  -0.412  10.203
  147    H6     T  13           H6         T  13   8.261   2.300  10.461
  148   1H5*    G  14          1H5*        G  14   7.195   9.719  14.841
  149   2H5*    G  14          2H5*        G  14   5.775   9.913  13.782
  150    H4*    G  14           H4*        G  14   8.720   9.675  13.152
  151    H3*    G  14           H3*        G  14   6.690  11.552  12.445
  152    H1*    G  14           H1*        G  14   8.323   8.965   9.945
  153    H8     G  14           H8         G  14   4.458   8.500  10.550
  154    H1     G  14           H1         G  14   7.215   4.099   6.855
  155   1H2     G  14          1H2         G  14   9.425   4.526   6.712
  156   2H2     G  14          2H2         G  14  10.161   5.890   7.522
  157   1H2*    G  14          1H2*        G  14   5.799  10.462  10.606
  158   2H2*    G  14          2H2*        G  14   7.285  11.012   9.789
  159   1H5*    G  15          1H5*        G  15  11.086  11.371  11.007
  160   2H5*    G  15          2H5*        G  15  11.802  12.976  10.690
  161    H4*    G  15           H4*        G  15  12.993  11.174   9.464
  162    H3*    G  15           H3*        G  15  11.747  13.413   8.083
  163    H1*    G  15           H1*        G  15  12.014   9.634   6.811
  164    H8     G  15           H8         G  15   8.519  11.276   7.497
  165    H1     G  15           H1         G  15   8.312   5.981   3.945
  166   1H2     G  15          1H2         G  15  10.392   5.184   3.634
  167   2H2     G  15          2H2         G  15  11.803   5.967   4.309
  168   1H2*    G  15          1H2*        G  15  10.656  12.273   6.426
  169   2H2*    G  15          2H2*        G  15  12.253  11.711   5.877
  170   1H5*    A  16          1H5*        A  16  15.512  11.299   6.841
  171   2H5*    A  16          2H5*        A  16  16.802  12.033   5.868
  172    H4*    A  16           H4*        A  16  16.224   9.592   5.304
  173    H3*    A  16           H3*        A  16  16.696  11.751   3.402
  174    H1*    A  16           H1*        A  16  14.165   8.727   3.106
  175    H8     A  16           H8         A  16  12.559  12.281   3.433
  176   1H6     A  16          1H6         A  16   7.783   9.902   0.398
  177   2H6     A  16          2H6         A  16   8.429  11.324   1.186
  178    H2     A  16           H2         A  16  10.942   6.693   0.778
  179   1H2*    A  16          1H2*        A  16  14.807  11.499   2.135
  180   2H2*    A  16          2H2*        A  16  15.484   9.927   1.647
  181   1H5*    C  17          1H5*        C  17  16.252   7.529   2.443
  182   2H5*    C  17          2H5*        C  17  17.802   6.839   1.928
  183    H4*    C  17           H4*        C  17  16.082   5.389   1.062
  184    H3*    C  17           H3*        C  17  17.691   6.933  -0.824
  185    H1*    C  17           H1*        C  17  13.889   5.806  -1.144
  186   1H4     C  17          1H4         C  17  10.277  10.652  -3.291
  187   2H4     C  17          2H4         C  17  11.360  11.844  -2.607
  188    H5     C  17           H5         C  17  13.382  11.272  -1.435
  189    H6     C  17           H6         C  17  14.810   9.438  -0.659
  190   1H2*    C  17          1H2*        C  17  16.014   7.620  -2.232
  191   2H2*    C  17          2H2*        C  17  15.697   5.894  -2.555
  192   1H5*    G  18          1H5*        G  18  15.711   3.247  -2.157
  193   2H5*    G  18          2H5*        G  18  16.768   1.991  -2.865
  194    H4*    G  18           H4*        G  18  14.547   2.026  -3.960
  195    H3*    G  18           H3*        G  18  17.004   2.463  -5.452
  196    H1*    G  18           H1*        G  18  13.439   4.058  -6.072
  197    H8     G  18           H8         G  18  16.239   6.574  -4.928
  198    H1     G  18           H1         G  18  11.278   9.171  -7.986
  199   1H2     G  18          1H2         G  18   9.836   7.551  -8.591
  200   2H2     G  18          2H2         G  18  10.128   5.863  -8.233
  201   1H2*    G  18          1H2*        G  18  16.393   4.404  -6.532
  202   2H2*    G  18          2H2*        G  18  15.201   3.399  -7.397
  203   1H5*    C  19          1H5*        C  19  16.753   0.717  -9.797
  204   2H5*    C  19          2H5*        C  19  16.674   1.863  -8.463
  205    H4*    C  19           H4*        C  19  14.170   0.584  -8.349
  206    H3*    C  19           H3*        C  19  14.958   0.099 -11.014
  207    H1*    C  19           H1*        C  19  12.813   3.280  -9.992
  208   1H4     C  19          1H4         C  19  15.535   8.738 -11.921
  209   2H4     C  19          2H4         C  19  17.138   8.150 -11.544
  210    H5     C  19           H5         C  19  17.564   5.929 -10.682
  211    H6     C  19           H6         C  19  16.545   3.787 -10.047
  212   1H2*    C  19          1H2*        C  19  14.978   2.271 -11.822
  213   2H2*    C  19          2H2*        C  19  13.213   2.021 -11.892
  214   1H5*    T  20          1H5*        T  20  10.480  -0.544 -13.896
  215   2H5*    T  20          2H5*        T  20  11.995   0.184 -14.474
  216    H4*    T  20           H4*        T  20  10.111   1.381 -15.455
  217    H3*    T  20           H3*        T  20  12.112   2.746 -14.095
  218   1H2*    T  20          1H2*        T  20  11.115   3.304 -12.097
  219   2H2*    T  20          2H2*        T  20  10.261   4.538 -13.062
  220    H1*    T  20           H1*        T  20   8.281   3.424 -12.883
  221    H3     T  20           H3         T  20   8.834   3.157  -8.186
  222   1H5M    T  20          1H5M        T  20   8.402  -1.460  -8.559
  223   2H5M    T  20          2H5M        T  20   7.715  -1.600 -10.193
  224   3H5M    T  20          3H5M        T  20   9.474  -1.746  -9.951
  225    H6     T  20           H6         T  20   8.870   0.124 -11.937
  226   1H5*    T  21          1H5*        T  21  10.805   6.186 -15.001
  227   2H5*    T  21          2H5*        T  21  10.381   6.672 -16.655
  228    H4*    T  21           H4*        T  21  11.223   8.536 -15.077
  229    H3*    T  21           H3*        T  21  11.883   8.168 -17.875
  230   1H2*    T  21          1H2*        T  21  14.141   8.289 -17.842
  231   2H2*    T  21          2H2*        T  21  13.987   9.912 -17.116
  232    H1*    T  21           H1*        T  21  14.634   9.140 -15.066
  233    H3     T  21           H3         T  21  18.484   7.126 -16.781
  234   1H5M    T  21          1H5M        T  21  16.685   2.918 -15.882
  235   2H5M    T  21          2H5M        T  21  15.763   3.383 -14.436
  236   3H5M    T  21          3H5M        T  21  14.938   3.215 -16.005
  237    H6     T  21           H6         T  21  14.149   5.617 -15.303
  238   1H5*    G  22          1H5*        G  22   8.076  12.106 -17.799
  239   2H5*    G  22          2H5*        G  22   8.803  13.550 -17.062
  240    H4*    G  22           H4*        G  22   6.555  12.087 -16.158
  241    H3*    G  22           H3*        G  22   8.084  14.343 -15.109
  242    H1*    G  22           H1*        G  22   7.922  10.986 -12.854
  243    H8     G  22           H8         G  22  10.580  13.417 -14.362
  244    H1     G  22           H1         G  22  13.038   8.109 -11.844
  245   1H2     G  22          1H2         G  22  11.382   6.695 -11.271
  246   2H2     G  22          2H2         G  22   9.695   7.091 -11.510
  247   1H2*    G  22          1H2*        G  22   8.555  13.731 -12.977
  248   2H2*    G  22          2H2*        G  22   6.929  13.042 -12.776
  249   1H5*    C  23          1H5*        C  23   5.783  10.401 -14.374
  250   2H5*    C  23          2H5*        C  23   4.031  10.513 -14.125
  251    H4*    C  23           H4*        C  23   4.901   8.756 -12.683
  252    H3*    C  23           H3*        C  23   3.667  11.127 -11.477
  253    H1*    C  23           H1*        C  23   6.518   8.766 -10.145
  254   1H4     C  23          1H4         C  23  11.786  11.547  -7.885
  255   2H4     C  23          2H4         C  23  11.290  13.136  -8.422
  256    H5     C  23           H5         C  23   9.212  13.544  -9.597
  257    H6     C  23           H6         C  23   7.179  12.516 -10.504
  258   1H2*    C  23          1H2*        C  23   5.227  11.476  -9.822
  259   2H2*    C  23          2H2*        C  23   4.751   9.885  -9.176
  260   1H5*    G  24          1H5*        G  24   2.961   6.631  -9.634
  261   2H5*    G  24          2H5*        G  24   1.257   6.644  -9.092
  262    H4*    G  24           H4*        G  24   2.603   5.152  -7.669
  263    H3*    G  24           H3*        G  24   1.413   7.589  -6.523
  264    H1*    G  24           H1*        G  24   4.824   5.761  -5.494
  265    H8     G  24           H8         G  24   4.403   9.526  -6.476
  266    H1     G  24           H1         G  24  10.112   8.206  -3.990
  267   1H2     G  24          1H2         G  24  10.339   6.009  -3.658
  268   2H2     G  24          2H2         G  24   9.070   4.867  -4.038
  269   1H2*    G  24          1H2*        G  24   3.016   8.099  -5.032
  270   2H2*    G  24          2H2*        G  24   2.920   6.448  -4.378
  271   1H5*    C  25          1H5*        C  25  -1.803   2.992  -4.915
  272   2H5*    C  25          2H5*        C  25  -2.321   3.539  -6.518
  273    H4*    C  25           H4*        C  25  -4.386   3.831  -5.596
  274    H3*    C  25           H3*        C  25  -2.937   6.235  -4.814
  275    H1*    C  25           H1*        C  25  -5.394   4.051  -2.523
  276   1H4     C  25          1H4         C  25  -2.481   3.316   3.134
  277   2H4     C  25          2H4         C  25  -0.917   3.179   2.363
  278    H5     C  25           H5         C  25  -0.596   3.371  -0.025
  279    H6     C  25           H6         C  25  -1.680   3.880  -2.172
  280   1H2*    C  25          1H2*        C  25  -3.315   6.197  -2.560
  281   2H2*    C  25          2H2*        C  25  -5.058   6.292  -2.927
  282   1H5*    C  26          1H5*        C  26  -7.402   6.262  -4.137
  283   2H5*    C  26          2H5*        C  26  -8.149   7.619  -5.013
  284    H4*    C  26           H4*        C  26  -9.328   7.205  -2.872
  285    H3*    C  26           H3*        C  26  -8.121   9.783  -3.521
  286    H1*    C  26           H1*        C  26  -8.381   8.052   0.068
  287   1H4     C  26          1H4         C  26  -2.718   8.344   3.024
  288   2H4     C  26          2H4         C  26  -1.854   8.506   1.512
  289    H5     C  26           H5         C  26  -2.960   8.613  -0.639
  290    H6     C  26           H6         C  26  -5.130   8.592  -1.792
  291   1H2*    C  26          1H2*        C  26  -7.099  10.233  -1.525
  292   2H2*    C  26          2H2*        C  26  -8.710  10.151  -0.768
  293   1H5*    A  27          1H5*        A  27 -11.674   9.588  -0.566
  294   2H5*    A  27          2H5*        A  27 -12.901  10.809  -0.977
  295    H4*    A  27           H4*        A  27 -12.762  10.518   1.476
  296    H3*    A  27           H3*        A  27 -12.300  13.098   0.186
  297    H1*    A  27           H1*        A  27 -10.549  11.654   3.464
  298    H8     A  27           H8         A  27  -8.394  12.358   0.250
  299   1H6     A  27          1H6         A  27  -3.613  12.759   4.102
  300   2H6     A  27          2H6         A  27  -4.124  12.848   2.432
  301    H2     A  27           H2         A  27  -7.292  11.919   6.546
  302   1H2*    A  27          1H2*        A  27 -10.436  13.753   1.337
  303   2H2*    A  27          2H2*        A  27 -11.420  13.667   2.821
  304   1H5*    C  28          1H5*        C  28 -13.937  12.914   4.410
  305   2H5*    C  28          2H5*        C  28 -14.772  14.293   5.152
  306    H4*    C  28           H4*        C  28 -12.701  13.245   6.382
  307    H3*    C  28           H3*        C  28 -13.422  16.115   6.147
  308    H1*    C  28           H1*        C  28  -9.953  14.275   6.483
  309   1H4     C  28          1H4         C  28  -5.503  17.369   3.135
  310   2H4     C  28          2H4         C  28  -6.601  17.667   1.806
  311    H5     C  28           H5         C  28  -8.942  17.000   1.847
  312    H6     C  28           H6         C  28 -10.720  15.970   3.205
  313   1H2*    C  28          1H2*        C  28 -11.294  16.902   5.931
  314   2H2*    C  28          2H2*        C  28 -10.896  16.120   7.484
  315   1H5*    T  29          1H5*        T  29 -12.195  17.034  11.659
  316   2H5*    T  29          2H5*        T  29 -11.679  18.229  10.447
  317    H4*    T  29           H4*        T  29  -9.846  17.919  12.023
  318    H3*    T  29           H3*        T  29  -9.458  17.475   9.266
  319   1H2*    T  29          1H2*        T  29  -9.238  15.169   9.241
  320   2H2*    T  29          2H2*        T  29  -7.580  15.546   9.799
  321    H1*    T  29           H1*        T  29  -8.030  14.934  11.965
  322    H3     T  29           H3         T  29  -8.557  10.482  10.950
  323   1H5M    T  29          1H5M        T  29 -13.191  10.896  10.688
  324   2H5M    T  29          2H5M        T  29 -13.440  12.341  11.695
  325   3H5M    T  29          3H5M        T  29 -13.309  12.500   9.925
  326    H6     T  29           H6         T  29 -11.559  14.251  11.142
  327   1H5*    T  30          1H5*        T  30  -5.444  17.953  10.639
  328   2H5*    T  30          2H5*        T  30  -4.979  19.251  11.759
  329    H4*    T  30           H4*        T  30  -3.131  18.516  10.158
  330    H3*    T  30           H3*        T  30  -3.727  21.183  10.889
  331   1H2*    T  30          1H2*        T  30  -4.510  22.030   8.899
  332   2H2*    T  30          2H2*        T  30  -2.795  21.968   8.403
  333    H1*    T  30           H1*        T  30  -3.136  20.131   7.054
  334    H3     T  30           H3         T  30  -6.108  22.640   4.476
  335   1H5M    T  30          1H5M        T  30  -9.594  19.865   5.830
  336   2H5M    T  30          2H5M        T  30  -8.699  18.487   6.511
  337   3H5M    T  30          3H5M        T  30  -9.238  19.812   7.574
  338    H6     T  30           H6         T  30  -6.497  19.223   7.861
  339   1H5*    G  31          1H5*        G  31   1.495  19.145  12.468
  340   2H5*    G  31          2H5*        G  31   1.978  19.007  10.760
  341    H4*    G  31           H4*        G  31  -0.361  17.761  12.279
  342    H3*    G  31           H3*        G  31   2.044  16.661  11.076
  343    H1*    G  31           H1*        G  31  -1.690  16.215   9.975
  344    H8     G  31           H8         G  31   0.552  18.041   7.288
  345    H1     G  31           H1         G  31  -5.310  16.358   5.413
  346   1H2     G  31          1H2         G  31  -6.356  15.312   7.122
  347   2H2     G  31          2H2         G  31  -5.581  15.062   8.670
  348   1H2*    G  31          1H2*        G  31   1.163  16.234   8.980
  349   2H2*    G  31          2H2*        G  31   0.243  14.945   9.806
  350   1H5*    T  32          1H5*        T  32  -1.302  14.320  13.469
  351   2H5*    T  32          2H5*        T  32  -0.658  12.858  14.252
  352    H4*    T  32           H4*        T  32  -3.096  12.608  13.742
  353    H3*    T  32           H3*        T  32  -1.115  10.693  12.831
  354   1H2*    T  32          1H2*        T  32  -1.806  10.464  10.667
  355   2H2*    T  32          2H2*        T  32  -3.358   9.900  11.334
  356    H1*    T  32           H1*        T  32  -4.427  11.851  10.945
  357    H3     T  32           H3         T  32  -4.419  12.530   6.468
  358   1H5M    T  32          1H5M        T  32   0.748  12.975   8.124
  359   2H5M    T  32          2H5M        T  32   0.128  14.384   7.241
  360   3H5M    T  32          3H5M        T  32   0.314  12.831   6.407
  361    H6     T  32           H6         T  32  -0.946  12.680   9.800
  362   1H5*    G  33          1H5*        G  33  -5.340   9.595  13.522
  363   2H5*    G  33          2H5*        G  33  -5.698   8.135  14.484
  364    H4*    G  33           H4*        G  33  -7.352   8.515  12.653
  365    H3*    G  33           H3*        G  33  -5.822   6.050  12.901
  366    H1*    G  33           H1*        G  33  -7.055   7.852   9.588
  367    H8     G  33           H8         G  33  -3.186   7.753  10.215
  368    H1     G  33           H1         G  33  -4.898   8.139   4.084
  369   1H2     G  33          1H2         G  33  -7.138   8.064   3.917
  370   2H2     G  33          2H2         G  33  -8.177   7.927   5.316
  371   1H2*    G  33          1H2*        G  33  -5.126   5.853  10.722
  372   2H2*    G  33          2H2*        G  33  -6.850   5.679  10.300
  373   1H5*    G  34          1H5*        G  34  -9.542   6.415  10.487
  374   2H5*    G  34          2H5*        G  34 -10.849   5.430  11.204
  375    H4*    G  34           H4*        G  34 -11.311   5.760   8.827
  376    H3*    G  34           H3*        G  34 -10.779   3.102   9.845
  377    H1*    G  34           H1*        G  34  -9.750   4.542   6.285
  378    H8     G  34           H8         G  34  -6.904   3.696   8.853
  379    H1     G  34           H1         G  34  -5.040   3.793   2.754
  380   1H2     G  34          1H2         G  34  -6.804   4.215   1.427
  381   2H2     G  34          2H2         G  34  -8.415   4.469   2.063
  382   1H2*    G  34          1H2*        G  34  -9.213   2.435   8.337
  383   2H2*    G  34          2H2*        G  34 -10.502   2.530   7.112
  384   1H5*    T  35          1H5*        T  35 -13.542   3.370   5.879
  385   2H5*    T  35          2H5*        T  35 -14.935   2.323   6.239
  386    H4*    T  35           H4*        T  35 -14.327   2.184   3.832
  387    H3*    T  35           H3*        T  35 -14.347  -0.134   5.601
  388   1H2*    T  35          1H2*        T  35 -12.454  -1.195   4.909
  389   2H2*    T  35          2H2*        T  35 -13.105  -1.204   3.253
  390    H1*    T  35           H1*        T  35 -11.818   0.558   2.573
  391    H3     T  35           H3         T  35  -7.373  -0.145   3.114
  392   1H5M    T  35          1H5M        T  35  -9.562  -0.072   8.123
  393   2H5M    T  35          2H5M        T  35  -7.846   0.316   7.864
  394   3H5M    T  35          3H5M        T  35  -8.407  -1.360   7.735
  395    H6     T  35           H6         T  35 -11.013   0.198   6.257
  396   1H5*    G  36          1H5*        G  36 -14.925  -0.737   1.154
  397   2H5*    G  36          2H5*        G  36 -16.037  -2.028   0.622
  398    H4*    G  36           H4*        G  36 -13.818  -1.870  -0.641
  399    H3*    G  36           H3*        G  36 -14.959  -4.312   0.451
  400    H1*    G  36           H1*        G  36 -11.116  -3.317   0.253
  401    H8     G  36           H8         G  36 -12.777  -3.667   3.794
  402    H1     G  36           H1         G  36  -6.420  -4.165   3.744
  403   1H2     G  36          1H2         G  36  -5.664  -4.017   1.629
  404   2H2     G  36          2H2         G  36  -6.738  -3.786   0.268
  405   1H2*    G  36          1H2*        G  36 -13.130  -5.094   1.583
  406   2H2*    G  36          2H2*        G  36 -12.342  -5.234  -0.006
  407   1H5*    C  37          1H5*        C  37 -12.134  -4.138  -3.233
  408   2H5*    C  37          2H5*        C  37 -12.642  -5.214  -4.554
  409    H4*    C  37           H4*        C  37 -10.137  -4.886  -4.446
  410    H3*    C  37           H3*        C  37 -11.461  -7.487  -4.541
  411    H1*    C  37           H1*        C  37  -8.144  -6.553  -2.493
  412   1H4     C  37          1H4         C  37  -8.848  -8.640   3.522
  413   2H4     C  37          2H4         C  37 -10.592  -8.632   3.390
  414    H5     C  37           H5         C  37 -11.758  -8.073   1.356
  415    H6     C  37           H6         C  37 -11.511  -7.369  -0.980
  416   1H2*    C  37          1H2*        C  37 -10.292  -8.581  -2.911
  417   2H2*    C  37          2H2*        C  37  -8.817  -8.256  -3.856
  418   1H5*    A  38          1H5*        A  38  -7.067  -7.269  -6.039
  419   2H5*    A  38          2H5*        A  38  -6.860  -8.177  -7.554
  420    H4*    A  38           H4*        A  38  -4.916  -8.490  -6.018
  421    H3*    A  38           H3*        A  38  -6.455 -10.703  -7.122
  422    H1*    A  38           H1*        A  38  -4.789 -10.494  -3.501
  423    H8     A  38           H8         A  38  -8.687 -10.732  -3.894
  424   1H6     A  38          1H6         A  38  -8.727 -12.445   2.006
  425   2H6     A  38          2H6         A  38  -9.710 -12.078   0.606
  426    H2     A  38           H2         A  38  -4.443 -11.848   0.769
  427   1H2*    A  38          1H2*        A  38  -6.763 -11.935  -5.221
  428   2H2*    A  38          2H2*        A  38  -4.990 -12.083  -5.130
  429   1H5*    G  39          1H5*        G  39  -2.394 -11.354  -5.394
  430   2H5*    G  39          2H5*        G  39  -1.259 -12.178  -6.500
  431    H4*    G  39           H4*        G  39  -0.801 -12.788  -4.155
  432    H3*    G  39           H3*        G  39  -1.546 -14.804  -6.110
  433    H1*    G  39           H1*        G  39  -2.401 -14.721  -2.239
  434    H8     G  39           H8         G  39  -5.394 -14.464  -4.771
  435    H1     G  39           H1         G  39  -6.999 -16.270   1.129
  436   1H2     G  39          1H2         G  39  -5.151 -16.456   2.396
  437   2H2     G  39          2H2         G  39  -3.552 -16.118   1.770
  438   1H2*    G  39          1H2*        G  39  -3.170 -15.882  -4.900
  439   2H2*    G  39          2H2*        G  39  -1.865 -16.353  -3.775
  440   1H5*    T  40          1H5*        T  40   0.400 -16.071  -2.322
  441   2H5*    T  40          2H5*        T  40   1.850 -17.084  -2.517
  442    H4*    T  40           H4*        T  40   0.525 -17.822  -0.555
  443    H3*    T  40           H3*        T  40   0.977 -19.583  -2.887
  444   1H2*    T  40          1H2*        T  40  -1.024 -20.735  -2.758
  445   2H2*    T  40          2H2*        T  40  -0.649 -21.136  -1.058
  446    H1*    T  40           H1*        T  40  -1.921 -19.412  -0.207
  447    H3     T  40           H3         T  40  -6.206 -20.359  -1.167
  448   1H5M    T  40          1H5M        T  40  -4.061 -19.450  -5.957
  449   2H5M    T  40          2H5M        T  40  -4.738 -17.879  -5.486
  450   3H5M    T  40          3H5M        T  40  -5.810 -19.278  -5.683
  451    H6     T  40           H6         T  40  -2.529 -18.876  -3.903
  452   1H5*    G  41          1H5*        G  41   0.881 -21.395   1.436
  453   2H5*    G  41          2H5*        G  41   2.070 -22.722   1.582
  454    H4*    G  41           H4*        G  41  -0.040 -23.235   2.772
  455    H3*    G  41           H3*        G  41   0.769 -24.884   0.423
  456    H1*    G  41           H1*        G  41  -2.831 -24.054   1.905
  457    H8     G  41           H8         G  41  -1.744 -23.263  -1.773
  458    H1     G  41           H1         G  41  -8.002 -24.146  -0.945
  459   1H2     G  41          1H2         G  41  -8.411 -24.715   1.195
  460   2H2     G  41          2H2         G  41  -7.132 -24.859   2.381
  461   1H2*    G  41          1H2*        G  41  -1.327 -25.579  -0.145
  462   2H2*    G  41          2H2*        G  41  -1.676 -25.986   1.556
  463   1H5*    C  42          1H5*        C  42  -1.176 -26.300   4.140
  464   2H5*    C  42          2H5*        C  42  -0.433 -27.730   4.895
  465    H4*    C  42           H4*        C  42  -2.877 -27.686   5.305
  466    H3*    C  42           H3*        C  42  -1.634 -29.897   3.743
  467    H1*    C  42           H1*        C  42  -5.314 -28.371   3.352
  468   1H4     C  42          1H4         C  42  -5.937 -28.680  -3.014
  469   2H4     C  42          2H4         C  42  -4.208 -28.570  -3.250
  470    H5     C  42           H5         C  42  -2.628 -28.463  -1.430
  471    H6     C  42           H6         C  42  -2.362 -28.445   1.012
  472   1H2*    C  42          1H2*        C  42  -3.505 -30.555   2.624
  473   2H2*    C  42          2H2*        C  42  -4.498 -30.368   4.096
  474   1HN1  NCO  43          1HN1      NCO  43   6.041  10.746   1.951
  475   2HN1  NCO  43          2HN1      NCO  43   5.713  11.079   0.404
  476   3HN1  NCO  43          3HN1      NCO  43   5.956  12.288   1.456
  477   1HN2  NCO  43          1HN2      NCO  43   1.270  12.293   2.456
  478   2HN2  NCO  43          2HN2      NCO  43   1.065  10.967   1.546
  479   3HN2  NCO  43          3HN2      NCO  43   1.467  10.828   3.110
  480   1HN3  NCO  43          1HN3      NCO  43   2.722   8.980   1.890
  481   2HN3  NCO  43          2HN3      NCO  43   4.206   8.981   1.237
  482   3HN3  NCO  43          3HN3      NCO  43   4.030   9.095   2.839
  483   1HN4  NCO  43          1HN4      NCO  43   3.980  10.748   4.243
  484   2HN4  NCO  43          2HN4      NCO  43   4.958  11.984   3.869
  485   3HN4  NCO  43          3HN4      NCO  43   3.392  12.252   4.188
  486   1HN5  NCO  43          1HN5      NCO  43   4.056  13.856   2.311
  487   2HN5  NCO  43          2HN5      NCO  43   3.967  13.671   0.703
  488   3HN5  NCO  43          3HN5      NCO  43   2.612  13.760   1.581
  489   1HN6  NCO  43          1HN6      NCO  43   2.396  11.885  -0.416
  490   2HN6  NCO  43          2HN6      NCO  43   3.883  11.353  -0.756
  491   3HN6  NCO  43          3HN6      NCO  43   2.718  10.298  -0.359
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1 -16.815 -30.295  -7.630
    2   2H5*    G   1          2H5*        G   1 -17.909 -28.912  -7.348
    3    H4*    G   1           H4*        G   1 -17.380 -29.925  -5.198
    4    H3*    G   1           H3*        G   1 -16.319 -27.264  -5.809
    5    H1*    G   1           H1*        G   1 -14.300 -30.106  -3.759
    6    H8     G   1           H8         G   1 -13.557 -29.361  -7.448
    7    H1     G   1           H1         G   1  -8.337 -29.238  -3.777
    8   1H2     G   1          1H2         G   1  -8.927 -29.414  -1.614
    9   2H2     G   1          2H2         G   1 -10.596 -29.556  -1.107
   10   1H2*    G   1          1H2*        G   1 -14.298 -27.377  -4.789
   11   2H2*    G   1          2H2*        G   1 -15.070 -28.004  -3.309
   12   1H5*    C   2          1H5*        C   2 -16.856 -28.058  -1.374
   13   2H5*    C   2          2H5*        C   2 -17.721 -26.729  -0.565
   14    H4*    C   2           H4*        C   2 -15.707 -27.552   0.727
   15    H3*    C   2           H3*        C   2 -16.158 -24.738  -0.042
   16    H1*    C   2           H1*        C   2 -12.603 -26.608   0.147
   17   1H4     C   2          1H4         C   2  -9.753 -24.146  -5.026
   18   2H4     C   2          2H4         C   2 -11.270 -24.049  -5.892
   19    H5     C   2           H5         C   2 -13.395 -24.664  -4.912
   20    H6     C   2           H6         C   2 -14.516 -25.494  -2.888
   21   1H2*    C   2          1H2*        C   2 -14.006 -24.083  -0.324
   22   2H2*    C   2          2H2*        C   2 -13.552 -24.845   1.222
   23   1H5*    A   3          1H5*        A   3 -13.701 -25.532   3.848
   24   2H5*    A   3          2H5*        A   3 -14.245 -24.407   5.116
   25    H4*    A   3           H4*        A   3 -11.757 -24.627   5.071
   26    H3*    A   3           H3*        A   3 -13.128 -22.028   4.678
   27    H1*    A   3           H1*        A   3  -9.662 -23.229   3.048
   28    H8     A   3           H8         A   3 -12.968 -22.350   1.184
   29   1H6     A   3          1H6         A   3  -9.375 -20.674  -3.532
   30   2H6     A   3          2H6         A   3 -11.025 -20.923  -3.003
   31    H2     A   3           H2         A   3  -6.717 -21.746  -0.072
   32   1H2*    A   3          1H2*        A   3 -11.531 -21.005   3.419
   33   2H2*    A   3          2H2*        A   3 -10.253 -21.594   4.515
   34   1H5*    C   4          1H5*        C   4  -9.109 -22.211   6.886
   35   2H5*    C   4          2H5*        C   4  -9.073 -21.147   8.312
   36    H4*    C   4           H4*        C   4  -6.933 -21.069   6.994
   37    H3*    C   4           H3*        C   4  -8.582 -18.671   7.563
   38    H1*    C   4           H1*        C   4  -6.406 -19.348   4.265
   39   1H4     C   4          1H4         C   4 -10.352 -16.994  -0.182
   40   2H4     C   4          2H4         C   4 -11.761 -17.332   0.797
   41    H5     C   4           H5         C   4 -11.633 -18.246   3.029
   42    H6     C   4           H6         C   4 -10.129 -19.060   4.791
   43   1H2*    C   4          1H2*        C   4  -7.983 -17.424   5.771
   44   2H2*    C   4          2H2*        C   4  -6.274 -17.868   5.973
   45   1H5*    T   5          1H5*        T   5  -4.005 -18.324   7.387
   46   2H5*    T   5          2H5*        T   5  -3.353 -17.199   8.599
   47    H4*    T   5           H4*        T   5  -2.263 -16.965   6.328
   48    H3*    T   5           H3*        T   5  -3.321 -14.737   7.878
   49   1H2*    T   5          1H2*        T   5  -4.506 -13.674   6.248
   50   2H2*    T   5          2H2*        T   5  -2.946 -13.481   5.402
   51    H1*    T   5           H1*        T   5  -3.365 -15.146   3.919
   52    H3     T   5           H3         T   5  -6.964 -13.780   1.531
   53   1H5M    T   5          1H5M        T   5  -8.750 -15.018   6.540
   54   2H5M    T   5          2H5M        T   5  -9.705 -15.594   5.157
   55   3H5M    T   5          3H5M        T   5  -9.624 -13.859   5.515
   56    H6     T   5           H6         T   5  -6.447 -15.320   6.065
   57   1H5*    G   6          1H5*        G   6   0.020 -13.909   5.023
   58   2H5*    G   6          2H5*        G   6   1.409 -12.986   5.657
   59    H4*    G   6           H4*        G   6   0.834 -12.354   3.313
   60    H3*    G   6           H3*        G   6   0.882 -10.416   5.489
   61    H1*    G   6           H1*        G   6  -1.569 -10.475   2.338
   62    H8     G   6           H8         G   6  -3.022 -11.058   5.928
   63    H1     G   6           H1         G   6  -7.235  -8.821   1.699
   64   1H2     G   6          1H2         G   6  -6.217  -8.428  -0.262
   65   2H2     G   6          2H2         G   6  -4.511  -8.731  -0.508
   66   1H2*    G   6          1H2*        G   6  -1.090  -9.332   5.058
   67   2H2*    G   6          2H2*        G   6  -0.398  -8.879   3.480
   68   1H5*    C   7          1H5*        C   7   1.032  -9.252   1.276
   69   2H5*    C   7          2H5*        C   7   2.485  -8.345   0.793
   70    H4*    C   7           H4*        C   7   0.603  -7.672  -0.632
   71    H3*    C   7           H3*        C   7   1.981  -5.754   1.069
   72    H1*    C   7           H1*        C   7  -1.886  -5.807   0.115
   73   1H4     C   7          1H4         C   7  -5.526  -5.117   5.323
   74   2H4     C   7          2H4         C   7  -4.252  -5.686   6.378
   75    H5     C   7           H5         C   7  -2.053  -6.290   5.589
   76    H6     C   7           H6         C   7  -0.604  -6.487   3.621
   77   1H2*    C   7          1H2*        C   7   0.177  -4.676   1.969
   78   2H2*    C   7          2H2*        C   7  -0.256  -4.199   0.305
   79   1H5*    A   8          1H5*        A   8   0.333  -3.946  -3.184
   80   2H5*    A   8          2H5*        A   8   1.720  -3.000  -3.776
   81    H4*    A   8           H4*        A   8  -0.427  -1.851  -4.291
   82    H3*    A   8           H3*        A   8   1.695  -0.609  -2.710
   83    H1*    A   8           H1*        A   8  -2.261  -0.135  -2.265
   84    H8     A   8           H8         A   8   0.164  -1.448   0.522
   85   1H6     A   8          1H6         A   8  -4.492  -0.744   4.429
   86   2H6     A   8          2H6         A   8  -2.812  -1.194   4.240
   87    H2     A   8           H2         A   8  -5.974   0.386   0.319
   88   1H2*    A   8          1H2*        A   8   0.444   0.404  -1.119
   89   2H2*    A   8          2H2*        A   8  -0.428   1.239  -2.422
   90   1H5*    T   9          1H5*        T   9   2.008   2.161  -2.774
   91   2H5*    T   9          2H5*        T   9   2.650   3.664  -3.446
   92    H4*    T   9           H4*        T   9   4.471   1.343  -3.732
   93    H3*    T   9           H3*        T   9   3.430   1.947  -1.050
   94   1H2*    T   9          1H2*        T   9   5.070   3.280  -0.312
   95   2H2*    T   9          2H2*        T   9   6.228   1.970  -0.642
   96    H1*    T   9           H1*        T   9   6.963   2.914  -2.561
   97    H3     T   9           H3         T   9   8.657   6.783  -0.796
   98   1H5M    T   9          1H5M        T   9   3.431   7.709  -1.237
   99   2H5M    T   9          2H5M        T   9   4.108   8.298  -2.766
  100   3H5M    T   9          3H5M        T   9   4.607   9.039  -1.233
  101    H6     T   9           H6         T   9   4.288   5.477  -2.333
  102   1H5*    C  10          1H5*        C  10   7.400  -0.214  -1.308
  103   2H5*    C  10          2H5*        C  10   7.316  -1.777  -0.460
  104    H4*    C  10           H4*        C  10   9.515  -0.586  -0.087
  105    H3*    C  10           H3*        C  10   7.783  -1.621   2.005
  106    H1*    C  10           H1*        C  10   9.872   1.798   2.186
  107   1H4     C  10          1H4         C  10   5.796   6.335   4.196
  108   2H4     C  10          2H4         C  10   4.414   5.461   3.574
  109    H5     C  10           H5         C  10   4.599   3.333   2.441
  110    H6     C  10           H6         C  10   6.127   1.534   1.784
  111   1H2*    C  10          1H2*        C  10   7.684   0.164   3.392
  112   2H2*    C  10          2H2*        C  10   9.452   0.023   3.581
  113   1H5*    C  11          1H5*        C  11  12.352  -1.601   3.646
  114   2H5*    C  11          2H5*        C  11  12.372  -2.291   5.277
  115    H4*    C  11           H4*        C  11  12.822   0.350   4.767
  116    H3*    C  11           H3*        C  11  11.646  -0.979   7.200
  117    H1*    C  11           H1*        C  11  10.920   2.562   5.562
  118   1H4     C  11          1H4         C  11   4.877   3.345   7.522
  119   2H4     C  11          2H4         C  11   4.505   1.657   7.247
  120    H5     C  11           H5         C  11   6.145   0.053   6.458
  121    H6     C  11           H6         C  11   8.511  -0.290   5.875
  122   1H2*    C  11          1H2*        C  11  10.570   0.887   7.946
  123   2H2*    C  11          2H2*        C  11  11.942   1.928   7.483
  124   1H5*    T  12          1H5*        T  12  14.714   2.157  10.665
  125   2H5*    T  12          2H5*        T  12  13.031   1.738  11.062
  126    H4*    T  12           H4*        T  12  13.423   4.162  11.419
  127    H3*    T  12           H3*        T  12  11.381   3.151   9.624
  128   1H2*    T  12          1H2*        T  12  11.636   4.482   7.807
  129   2H2*    T  12          2H2*        T  12  11.483   5.909   8.863
  130    H1*    T  12           H1*        T  12  13.719   6.330   8.689
  131    H3     T  12           H3         T  12  14.034   5.995   4.081
  132   1H5M    T  12          1H5M        T  12  16.059   1.806   4.434
  133   2H5M    T  12          2H5M        T  12  16.899   2.081   5.977
  134   3H5M    T  12          3H5M        T  12  15.361   1.185   5.947
  135    H6     T  12           H6         T  12  14.898   3.030   7.785
  136   1H5*    T  13          1H5*        T  13   9.249   6.427  11.418
  137   2H5*    T  13          2H5*        T  13   9.389   6.594  13.185
  138    H4*    T  13           H4*        T  13   7.176   7.437  12.388
  139    H3*    T  13           H3*        T  13   7.434   5.241  14.337
  140   1H2*    T  13          1H2*        T  13   5.707   3.948  13.707
  141   2H2*    T  13          2H2*        T  13   4.628   5.367  13.751
  142    H1*    T  13           H1*        T  13   4.632   5.530  11.478
  143    H3     T  13           H3         T  13   3.393   1.265  10.357
  144   1H5M    T  13          1H5M        T  13   7.826  -0.018   9.657
  145   2H5M    T  13          2H5M        T  13   8.691   1.535   9.686
  146   3H5M    T  13          3H5M        T  13   8.464   0.612  11.193
  147    H6     T  13           H6         T  13   7.638   3.402  11.182
  148   1H5*    G  14          1H5*        G  14   7.049  11.140  15.110
  149   2H5*    G  14          2H5*        G  14   5.604  11.405  14.106
  150    H4*    G  14           H4*        G  14   8.485  10.930  13.367
  151    H3*    G  14           H3*        G  14   6.533  12.861  12.601
  152    H1*    G  14           H1*        G  14   7.948  10.049  10.249
  153    H8     G  14           H8         G  14   4.074   9.756  10.897
  154    H1     G  14           H1         G  14   6.690   4.998   7.557
  155   1H2     G  14          1H2         G  14   8.917   5.346   7.390
  156   2H2     G  14          2H2         G  14   9.690   6.745   8.102
  157   1H2*    G  14          1H2*        G  14   5.482  11.652  10.921
  158   2H2*    G  14          2H2*        G  14   6.924  12.103   9.974
  159   1H5*    G  15          1H5*        G  15  10.917  12.499  11.116
  160   2H5*    G  15          2H5*        G  15  11.641  14.044  10.594
  161    H4*    G  15           H4*        G  15  12.780  12.085   9.571
  162    H3*    G  15           H3*        G  15  11.558  14.174   7.956
  163    H1*    G  15           H1*        G  15  11.749  10.270   7.132
  164    H8     G  15           H8         G  15   8.282  11.981   7.744
  165    H1     G  15           H1         G  15   7.982   6.489   4.518
  166   1H2     G  15          1H2         G  15  10.041   5.657   4.216
  167   2H2     G  15          2H2         G  15  11.474   6.462   4.816
  168   1H2*    G  15          1H2*        G  15  10.410  12.864   6.467
  169   2H2*    G  15          2H2*        G  15  11.988  12.219   5.950
  170   1H5*    A  16          1H5*        A  16  14.903  11.500   6.801
  171   2H5*    A  16          2H5*        A  16  16.323  12.198   5.990
  172    H4*    A  16           H4*        A  16  15.893   9.815   5.316
  173    H3*    A  16           H3*        A  16  16.238  12.007   3.431
  174    H1*    A  16           H1*        A  16  13.878   8.831   3.071
  175    H8     A  16           H8         A  16  12.178  12.327   3.433
  176   1H6     A  16          1H6         A  16   7.379   9.840   0.536
  177   2H6     A  16          2H6         A  16   8.006  11.265   1.334
  178    H2     A  16           H2         A  16  10.640   6.716   0.773
  179   1H2*    A  16          1H2*        A  16  14.411  11.622   2.107
  180   2H2*    A  16          2H2*        A  16  15.187  10.086   1.663
  181   1H5*    C  17          1H5*        C  17  16.149   7.804   2.692
  182   2H5*    C  17          2H5*        C  17  17.661   7.098   2.087
  183    H4*    C  17           H4*        C  17  15.802   5.621   1.500
  184    H3*    C  17           H3*        C  17  17.462   6.847  -0.555
  185    H1*    C  17           H1*        C  17  13.594   5.942  -0.741
  186   1H4     C  17          1H4         C  17  10.212  10.789  -3.208
  187   2H4     C  17          2H4         C  17  11.349  11.973  -2.605
  188    H5     C  17           H5         C  17  13.370  11.383  -1.429
  189    H6     C  17           H6         C  17  14.724   9.538  -0.557
  190   1H2*    C  17          1H2*        C  17  15.808   7.520  -1.998
  191   2H2*    C  17          2H2*        C  17  15.386   5.794  -2.164
  192   1H5*    G  18          1H5*        G  18  15.154   3.229  -1.599
  193   2H5*    G  18          2H5*        G  18  16.171   1.840  -2.085
  194    H4*    G  18           H4*        G  18  14.078   1.797  -3.352
  195    H3*    G  18           H3*        G  18  16.612   2.150  -4.717
  196    H1*    G  18           H1*        G  18  13.105   3.716  -5.665
  197    H8     G  18           H8         G  18  15.903   6.265  -4.580
  198    H1     G  18           H1         G  18  10.916   8.802  -7.642
  199   1H2     G  18          1H2         G  18   9.456   7.177  -8.185
  200   2H2     G  18          2H2         G  18   9.739   5.498  -7.785
  201   1H2*    G  18          1H2*        G  18  16.086   4.037  -5.929
  202   2H2*    G  18          2H2*        G  18  14.958   2.987  -6.825
  203   1H5*    C  19          1H5*        C  19  16.430   0.020  -9.022
  204   2H5*    C  19          2H5*        C  19  16.409   1.297  -7.810
  205    H4*    C  19           H4*        C  19  13.860   0.059  -7.594
  206    H3*    C  19           H3*        C  19  14.626  -0.505 -10.243
  207    H1*    C  19           H1*        C  19  12.543   2.717  -9.288
  208   1H4     C  19          1H4         C  19  15.234   8.185 -11.220
  209   2H4     C  19          2H4         C  19  16.832   7.629 -10.775
  210    H5     C  19           H5         C  19  17.264   5.423  -9.889
  211    H6     C  19           H6         C  19  16.263   3.267  -9.278
  212   1H2*    C  19          1H2*        C  19  14.739   1.672 -11.069
  213   2H2*    C  19          2H2*        C  19  12.970   1.455 -11.188
  214   1H5*    T  20          1H5*        T  20   9.961  -1.019 -12.968
  215   2H5*    T  20          2H5*        T  20  11.475  -0.406 -13.671
  216    H4*    T  20           H4*        T  20   9.639   0.879 -14.584
  217    H3*    T  20           H3*        T  20  11.759   2.162 -13.334
  218   1H2*    T  20          1H2*        T  20  10.858   2.793 -11.305
  219   2H2*    T  20          2H2*        T  20  10.074   4.079 -12.263
  220    H1*    T  20           H1*        T  20   8.020   3.102 -12.060
  221    H3     T  20           H3         T  20   8.546   3.050  -7.371
  222   1H5M    T  20          1H5M        T  20   8.076  -1.580  -7.469
  223   2H5M    T  20          2H5M        T  20   7.208  -1.747  -9.013
  224   3H5M    T  20          3H5M        T  20   8.973  -1.979  -8.952
  225    H6     T  20           H6         T  20   8.476  -0.191 -10.941
  226   1H5*    T  21          1H5*        T  21  10.663   5.641 -14.254
  227   2H5*    T  21          2H5*        T  21  10.052   6.057 -15.869
  228    H4*    T  21           H4*        T  21  11.054   8.016 -14.601
  229    H3*    T  21           H3*        T  21  11.618   7.337 -17.352
  230   1H2*    T  21          1H2*        T  21  13.884   7.312 -17.373
  231   2H2*    T  21          2H2*        T  21  13.837   9.020 -16.860
  232    H1*    T  21           H1*        T  21  14.491   8.480 -14.737
  233    H3     T  21           H3         T  21  18.239   6.151 -16.196
  234   1H5M    T  21          1H5M        T  21  16.254   2.104 -15.018
  235   2H5M    T  21          2H5M        T  21  15.293   2.705 -13.647
  236   3H5M    T  21          3H5M        T  21  14.525   2.460 -15.235
  237    H6     T  21           H6         T  21  13.826   4.945 -14.665
  238   1H5*    G  22          1H5*        G  22   8.114  11.593 -17.497
  239   2H5*    G  22          2H5*        G  22   8.871  12.952 -16.641
  240    H4*    G  22           H4*        G  22   6.525  11.481 -15.930
  241    H3*    G  22           H3*        G  22   8.007  13.726 -14.771
  242    H1*    G  22           H1*        G  22   7.681  10.363 -12.560
  243    H8     G  22           H8         G  22  10.397  12.818 -13.919
  244    H1     G  22           H1         G  22  12.767   7.595 -11.142
  245   1H2     G  22          1H2         G  22  11.097   6.173 -10.637
  246   2H2     G  22          2H2         G  22   9.423   6.540 -10.985
  247   1H2*    G  22          1H2*        G  22   8.285  13.110 -12.607
  248   2H2*    G  22          2H2*        G  22   6.654  12.406 -12.551
  249   1H5*    C  23          1H5*        C  23   5.545   9.856 -14.108
  250   2H5*    C  23          2H5*        C  23   3.786   9.990 -13.903
  251    H4*    C  23           H4*        C  23   4.599   8.300 -12.358
  252    H3*    C  23           H3*        C  23   3.367  10.737 -11.294
  253    H1*    C  23           H1*        C  23   6.156   8.414  -9.786
  254   1H4     C  23          1H4         C  23  11.459  11.172  -7.597
  255   2H4     C  23          2H4         C  23  10.991  12.753  -8.177
  256    H5     C  23           H5         C  23   8.924  13.162  -9.372
  257    H6     C  23           H6         C  23   6.881  12.145 -10.257
  258   1H2*    C  23          1H2*        C  23   4.910  11.160  -9.637
  259   2H2*    C  23          2H2*        C  23   4.398   9.618  -8.906
  260   1H5*    G  24          1H5*        G  24   2.708   6.377  -9.433
  261   2H5*    G  24          2H5*        G  24   1.040   6.249  -8.803
  262    H4*    G  24           H4*        G  24   2.651   4.837  -7.527
  263    H3*    G  24           H3*        G  24   1.099   6.978  -6.253
  264    H1*    G  24           H1*        G  24   4.760   5.666  -5.334
  265    H8     G  24           H8         G  24   3.958   9.394  -6.205
  266    H1     G  24           H1         G  24   9.738   8.536  -3.667
  267   1H2     G  24          1H2         G  24  10.127   6.358  -3.343
  268   2H2     G  24          2H2         G  24   8.953   5.124  -3.744
  269   1H2*    G  24          1H2*        G  24   2.683   7.771  -4.843
  270   2H2*    G  24          2H2*        G  24   2.833   6.138  -4.160
  271   1H5*    C  25          1H5*        C  25  -1.655   3.662  -5.852
  272   2H5*    C  25          2H5*        C  25  -2.173   5.050  -6.828
  273    H4*    C  25           H4*        C  25  -4.202   4.197  -5.930
  274    H3*    C  25           H3*        C  25  -3.263   6.711  -4.813
  275    H1*    C  25           H1*        C  25  -5.175   3.781  -2.880
  276   1H4     C  25          1H4         C  25  -2.132   3.217   2.779
  277   2H4     C  25          2H4         C  25  -0.655   2.812   1.933
  278    H5     C  25           H5         C  25  -0.441   2.891  -0.469
  279    H6     C  25           H6         C  25  -1.594   3.382  -2.577
  280   1H2*    C  25          1H2*        C  25  -3.509   6.251  -2.587
  281   2H2*    C  25          2H2*        C  25  -5.257   6.087  -2.912
  282   1H5*    C  26          1H5*        C  26  -7.883   6.384  -4.256
  283   2H5*    C  26          2H5*        C  26  -8.591   7.781  -5.102
  284    H4*    C  26           H4*        C  26  -9.738   7.374  -2.928
  285    H3*    C  26           H3*        C  26  -8.492   9.916  -3.621
  286    H1*    C  26           H1*        C  26  -8.604   8.213  -0.001
  287   1H4     C  26          1H4         C  26  -2.709   8.457   2.483
  288   2H4     C  26          2H4         C  26  -1.970   8.503   0.898
  289    H5     C  26           H5         C  26  -3.242   8.524  -1.153
  290    H6     C  26           H6         C  26  -5.498   8.529  -2.125
  291   1H2*    C  26          1H2*        C  26  -7.360  10.341  -1.685
  292   2H2*    C  26          2H2*        C  26  -8.933  10.312  -0.848
  293   1H5*    A  27          1H5*        A  27 -11.743   9.952  -0.363
  294   2H5*    A  27          2H5*        A  27 -12.974  11.174  -0.757
  295    H4*    A  27           H4*        A  27 -12.636  11.094   1.682
  296    H3*    A  27           H3*        A  27 -12.162  13.532   0.148
  297    H1*    A  27           H1*        A  27 -10.206  12.262   3.382
  298    H8     A  27           H8         A  27  -8.308  12.578  -0.046
  299   1H6     A  27          1H6         A  27  -3.189  12.986   3.345
  300   2H6     A  27          2H6         A  27  -3.841  12.974   1.721
  301    H2     A  27           H2         A  27  -6.678  12.562   6.151
  302   1H2*    A  27          1H2*        A  27 -10.169  14.165   1.074
  303   2H2*    A  27          2H2*        A  27 -11.020  14.267   2.637
  304   1H5*    C  28          1H5*        C  28 -13.365  13.795   4.508
  305   2H5*    C  28          2H5*        C  28 -14.135  15.256   5.156
  306    H4*    C  28           H4*        C  28 -12.023  14.311   6.376
  307    H3*    C  28           H3*        C  28 -12.696  17.146   5.863
  308    H1*    C  28           H1*        C  28  -9.262  15.272   6.213
  309   1H4     C  28          1H4         C  28  -4.845  17.625   2.280
  310   2H4     C  28          2H4         C  28  -5.997  17.842   0.983
  311    H5     C  28           H5         C  28  -8.367  17.335   1.217
  312    H6     C  28           H6         C  28 -10.120  16.570   2.770
  313   1H2*    C  28          1H2*        C  28 -10.586  17.821   5.308
  314   2H2*    C  28          2H2*        C  28 -10.070  17.313   6.939
  315   1H5*    T  29          1H5*        T  29 -10.928  18.190  11.294
  316   2H5*    T  29          2H5*        T  29 -10.458  19.467  10.149
  317    H4*    T  29           H4*        T  29  -8.530  18.970  11.571
  318    H3*    T  29           H3*        T  29  -8.337  18.812   8.780
  319   1H2*    T  29          1H2*        T  29  -8.206  16.502   8.509
  320   2H2*    T  29          2H2*        T  29  -6.499  16.785   8.967
  321    H1*    T  29           H1*        T  29  -6.802  15.986  11.104
  322    H3     T  29           H3         T  29  -7.434  11.674   9.648
  323   1H5M    T  29          1H5M        T  29 -12.071  12.106   9.789
  324   2H5M    T  29          2H5M        T  29 -12.222  13.395  11.006
  325   3H5M    T  29          3H5M        T  29 -12.247  13.799   9.271
  326    H6     T  29           H6         T  29 -10.387  15.391  10.503
  327   1H5*    T  30          1H5*        T  30  -4.307  18.816   9.925
  328   2H5*    T  30          2H5*        T  30  -3.558  20.075  10.930
  329    H4*    T  30           H4*        T  30  -1.970  19.051   9.242
  330    H3*    T  30           H3*        T  30  -2.254  21.840   9.750
  331   1H2*    T  30          1H2*        T  30  -2.952  22.614   7.713
  332   2H2*    T  30          2H2*        T  30  -1.308  22.200   7.151
  333    H1*    T  30           H1*        T  30  -2.052  20.348   6.010
  334    H3     T  30           H3         T  30  -4.877  23.083   3.473
  335   1H5M    T  30          1H5M        T  30  -8.570  20.940   5.333
  336   2H5M    T  30          2H5M        T  30  -7.802  19.411   5.821
  337   3H5M    T  30          3H5M        T  30  -8.019  20.722   7.009
  338    H6     T  30           H6         T  30  -5.407  19.962   7.113
  339   1H5*    G  31          1H5*        G  31   3.135  19.382  10.809
  340   2H5*    G  31          2H5*        G  31   3.054  19.402   9.030
  341    H4*    G  31           H4*        G  31   0.993  18.289  11.020
  342    H3*    G  31           H3*        G  31   3.200  16.983   9.670
  343    H1*    G  31           H1*        G  31  -0.639  16.692   8.907
  344    H8     G  31           H8         G  31   1.491  18.249   5.973
  345    H1     G  31           H1         G  31  -4.555  16.758   4.583
  346   1H2     G  31          1H2         G  31  -5.539  15.889   6.421
  347   2H2     G  31          2H2         G  31  -4.681  15.703   7.934
  348   1H2*    G  31          1H2*        G  31   2.117  16.485   7.694
  349   2H2*    G  31          2H2*        G  31   1.201  15.306   8.673
  350   1H5*    T  32          1H5*        T  32   0.007  14.879  12.523
  351   2H5*    T  32          2H5*        T  32   0.655  13.393  13.251
  352    H4*    T  32           H4*        T  32  -1.846  13.287  12.970
  353    H3*    T  32           H3*        T  32  -0.055  11.225  11.960
  354   1H2*    T  32          1H2*        T  32  -0.972  10.958   9.889
  355   2H2*    T  32          2H2*        T  32  -2.481  10.520  10.726
  356    H1*    T  32           H1*        T  32  -3.463  12.527  10.347
  357    H3     T  32           H3         T  32  -3.836  12.962   5.854
  358   1H5M    T  32          1H5M        T  32   1.475  13.141   6.979
  359   2H5M    T  32          2H5M        T  32   0.882  14.618   6.195
  360   3H5M    T  32          3H5M        T  32   0.855  13.081   5.315
  361    H6     T  32           H6         T  32  -0.067  13.113   8.849
  362   1H5*    G  33          1H5*        G  33  -4.302  10.219  13.076
  363   2H5*    G  33          2H5*        G  33  -4.479   8.793  14.137
  364    H4*    G  33           H4*        G  33  -6.347   9.004  12.499
  365    H3*    G  33           H3*        G  33  -4.670   6.631  12.656
  366    H1*    G  33           H1*        G  33  -6.341   8.233   9.429
  367    H8     G  33           H8         G  33  -2.424   8.312   9.663
  368    H1     G  33           H1         G  33  -4.777   8.497   3.741
  369   1H2     G  33          1H2         G  33  -7.025   8.369   3.812
  370   2H2     G  33          2H2         G  33  -7.904   8.244   5.320
  371   1H2*    G  33          1H2*        G  33  -4.203   6.379  10.423
  372   2H2*    G  33          2H2*        G  33  -5.950   6.105  10.193
  373   1H5*    G  34          1H5*        G  34  -8.504   6.776  10.560
  374   2H5*    G  34          2H5*        G  34  -9.754   5.780  11.357
  375    H4*    G  34           H4*        G  34 -10.337   6.078   9.002
  376    H3*    G  34           H3*        G  34  -9.713   3.422  10.011
  377    H1*    G  34           H1*        G  34  -8.903   4.876   6.388
  378    H8     G  34           H8         G  34  -5.958   4.000   8.823
  379    H1     G  34           H1         G  34  -4.416   3.948   2.633
  380   1H2     G  34          1H2         G  34  -6.228   4.434   1.395
  381   2H2     G  34          2H2         G  34  -7.789   4.766   2.112
  382   1H2*    G  34          1H2*        G  34  -8.294   2.721   8.366
  383   2H2*    G  34          2H2*        G  34  -9.664   2.885   7.237
  384   1H5*    T  35          1H5*        T  35 -12.697   3.737   6.271
  385   2H5*    T  35          2H5*        T  35 -14.110   2.764   6.740
  386    H4*    T  35           H4*        T  35 -13.751   2.598   4.303
  387    H3*    T  35           H3*        T  35 -13.641   0.262   6.050
  388   1H2*    T  35          1H2*        T  35 -11.845  -0.827   5.167
  389   2H2*    T  35          2H2*        T  35 -12.662  -0.814   3.588
  390    H1*    T  35           H1*        T  35 -11.423   0.920   2.782
  391    H3     T  35           H3         T  35  -6.973   0.061   2.842
  392   1H5M    T  35          1H5M        T  35  -8.614   0.208   8.057
  393   2H5M    T  35          2H5M        T  35  -6.929   0.555   7.621
  394   3H5M    T  35          3H5M        T  35  -7.539  -1.106   7.547
  395    H6     T  35           H6         T  35 -10.235   0.570   6.359
  396   1H5*    G  36          1H5*        G  36 -14.582  -0.204   1.706
  397   2H5*    G  36          2H5*        G  36 -15.873  -1.348   1.245
  398    H4*    G  36           H4*        G  36 -13.842  -1.348  -0.282
  399    H3*    G  36           H3*        G  36 -15.002  -3.735   0.925
  400    H1*    G  36           H1*        G  36 -11.153  -3.001   0.203
  401    H8     G  36           H8         G  36 -12.354  -3.256   3.927
  402    H1     G  36           H1         G  36  -6.209  -4.693   2.991
  403   1H2     G  36          1H2         G  36  -5.730  -4.577   0.796
  404   2H2     G  36          2H2         G  36  -6.929  -4.142  -0.402
  405   1H2*    G  36          1H2*        G  36 -13.089  -4.709   1.717
  406   2H2*    G  36          2H2*        G  36 -12.549  -4.806   0.022
  407   1H5*    C  37          1H5*        C  37 -12.693  -3.722  -2.999
  408   2H5*    C  37          2H5*        C  37 -13.478  -4.609  -4.325
  409    H4*    C  37           H4*        C  37 -10.969  -4.646  -4.496
  410    H3*    C  37           H3*        C  37 -12.644  -7.037  -4.526
  411    H1*    C  37           H1*        C  37  -9.018  -6.659  -2.872
  412   1H4     C  37          1H4         C  37  -9.233  -9.055   3.062
  413   2H4     C  37          2H4         C  37 -10.962  -8.813   3.169
  414    H5     C  37           H5         C  37 -12.289  -7.943   1.353
  415    H6     C  37           H6         C  37 -12.247  -7.113  -0.956
  416   1H2*    C  37          1H2*        C  37 -11.462  -8.360  -3.088
  417   2H2*    C  37          2H2*        C  37 -10.074  -8.193  -4.192
  418   1H5*    A  38          1H5*        A  38  -8.493  -7.218  -6.525
  419   2H5*    A  38          2H5*        A  38  -8.566  -7.984  -8.131
  420    H4*    A  38           H4*        A  38  -6.479  -8.612  -6.923
  421    H3*    A  38           H3*        A  38  -8.372 -10.576  -7.950
  422    H1*    A  38           H1*        A  38  -6.200 -10.830  -4.612
  423    H8     A  38           H8         A  38 -10.116 -10.636  -4.404
  424   1H6     A  38          1H6         A  38  -9.492 -13.088   1.197
  425   2H6     A  38          2H6         A  38 -10.620 -12.451   0.023
  426    H2     A  38           H2         A  38  -5.395 -12.757  -0.631
  427   1H2*    A  38          1H2*        A  38  -8.530 -11.938  -6.121
  428   2H2*    A  38          2H2*        A  38  -6.785 -12.248  -6.305
  429   1H5*    G  39          1H5*        G  39  -4.131 -11.580  -6.983
  430   2H5*    G  39          2H5*        G  39  -3.234 -12.347  -8.325
  431    H4*    G  39           H4*        G  39  -2.395 -13.101  -6.119
  432    H3*    G  39           H3*        G  39  -3.459 -14.973  -8.071
  433    H1*    G  39           H1*        G  39  -3.710 -15.182  -4.110
  434    H8     G  39           H8         G  39  -7.027 -14.667  -6.143
  435    H1     G  39           H1         G  39  -7.815 -17.086  -0.294
  436   1H2     G  39          1H2         G  39  -5.805 -17.417   0.666
  437   2H2     G  39          2H2         G  39  -4.306 -17.026  -0.147
  438   1H2*    G  39          1H2*        G  39  -4.860 -16.163  -6.699
  439   2H2*    G  39          2H2*        G  39  -3.394 -16.683  -5.825
  440   1H5*    T  40          1H5*        T  40  -0.776 -16.320  -4.808
  441   2H5*    T  40          2H5*        T  40   0.616 -17.339  -5.243
  442    H4*    T  40           H4*        T  40  -0.428 -18.011  -3.055
  443    H3*    T  40           H3*        T  40  -0.155 -19.844  -5.371
  444   1H2*    T  40          1H2*        T  40  -2.071 -21.067  -4.989
  445   2H2*    T  40          2H2*        T  40  -1.493 -21.396  -3.331
  446    H1*    T  40           H1*        T  40  -2.760 -19.713  -2.396
  447    H3     T  40           H3         T  40  -7.072 -20.884  -2.936
  448   1H5M    T  40          1H5M        T  40  -5.468 -19.947  -7.911
  449   2H5M    T  40          2H5M        T  40  -6.076 -18.364  -7.389
  450   3H5M    T  40          3H5M        T  40  -7.175 -19.756  -7.454
  451    H6     T  40           H6         T  40  -3.745 -19.252  -6.014
  452   1H5*    G  41          1H5*        G  41   0.187 -21.672  -1.090
  453   2H5*    G  41          2H5*        G  41   1.461 -22.925  -1.073
  454    H4*    G  41           H4*        G  41  -0.508 -23.640   0.227
  455    H3*    G  41           H3*        G  41   0.181 -25.101  -2.278
  456    H1*    G  41           H1*        G  41  -3.323 -24.554  -0.470
  457    H8     G  41           H8         G  41  -2.574 -23.506  -4.172
  458    H1     G  41           H1         G  41  -8.711 -24.658  -2.882
  459   1H2     G  41          1H2         G  41  -8.917 -25.358  -0.752
  460   2H2     G  41          2H2         G  41  -7.539 -25.519   0.312
  461   1H2*    G  41          1H2*        G  41  -1.918 -25.858  -2.734
  462   2H2*    G  41          2H2*        G  41  -2.111 -26.396  -1.045
  463   1H5*    C  42          1H5*        C  42  -1.399 -26.929   1.447
  464   2H5*    C  42          2H5*        C  42  -0.553 -28.394   1.998
  465    H4*    C  42           H4*        C  42  -2.975 -28.506   2.532
  466    H3*    C  42           H3*        C  42  -1.720 -30.485   0.690
  467    H1*    C  42           H1*        C  42  -5.477 -29.116   0.687
  468   1H4     C  42          1H4         C  42  -6.592 -28.903  -5.616
  469   2H4     C  42          2H4         C  42  -4.895 -28.667  -5.972
  470    H5     C  42           H5         C  42  -3.182 -28.617  -4.271
  471    H6     C  42           H6         C  42  -2.722 -28.798  -1.864
  472   1H2*    C  42          1H2*        C  42  -3.623 -31.119  -0.387
  473   2H2*    C  42          2H2*        C  42  -4.531 -31.140   1.150
  474   1HN1  NCO  43          1HN1      NCO  43   5.481   9.117   1.225
  475   2HN1  NCO  43          2HN1      NCO  43   5.432   8.117   2.500
  476   3HN1  NCO  43          3HN1      NCO  43   4.364   7.945   1.299
  477   1HN2  NCO  43          1HN2      NCO  43   2.443  12.069   3.465
  478   2HN2  NCO  43          2HN2      NCO  43   1.433  10.836   3.750
  479   3HN2  NCO  43          3HN2      NCO  43   2.634  11.160   4.788
  480   1HN3  NCO  43          1HN3      NCO  43   4.030   8.372   4.837
  481   2HN3  NCO  43          2HN3      NCO  43   2.435   8.626   4.701
  482   3HN3  NCO  43          3HN3      NCO  43   3.174   7.549   3.740
  483   1HN4  NCO  43          1HN4      NCO  43   5.225  10.181   4.782
  484   2HN4  NCO  43          2HN4      NCO  43   6.047  10.423   3.408
  485   3HN4  NCO  43          3HN4      NCO  43   5.092  11.590   4.001
  486   1HN5  NCO  43          1HN5      NCO  43   3.830  10.899   0.472
  487   2HN5  NCO  43          2HN5      NCO  43   3.312  12.056   1.475
  488   3HN5  NCO  43          3HN5      NCO  43   4.881  11.653   1.449
  489   1HN6  NCO  43          1HN6      NCO  43   1.415   8.673   2.294
  490   2HN6  NCO  43          2HN6      NCO  43   1.518   9.988   1.352
  491   3HN6  NCO  43          3HN6      NCO  43   2.332   8.648   0.959