*HEADER    RNA                                     08-MAY-02   1LPW              
*TITLE     SOLUTION STRUCTURE OF THE YEAST SPLICEOSOMAL U2 SNRNA-                
*TITLE    2 INTRON BRANCH SITE HELIX FEATURING A CONSERVED                       
*TITLE    3 PSEUDOURIDINE                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*GP*GP*UP*GP*(PSU)P*AP*GP*UP*A)-3';                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 OTHER_DETAILS: U2 SNRNA;                                             
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: 5'-R(*UP*AP*CP*UP*AP*AP*CP*AP*CP*C)-3';                    
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 OTHER_DETAILS: PRE-MRNA CONSERVED INTRON BRANCH SITE                 
*COMPND   9 SEQUENCE SITE                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: YEAST;                                              
*SOURCE   4 MOL_ID: 2;                                                           
*SOURCE   5 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   6 ORGANISM_COMMON: YEAST                                               
*KEYWDS    U2 SNRNA, BRANCH SITE, NMR, PSEUDOURIDINE                             
*EXPDTA    NMR, 9 STRUCTURES                                                     
*AUTHOR    M.I.NEWBY, N.L.GREENBAUM                                              
*REVDAT   1   27-NOV-02 1LPW    0                                                
/* list of tables applied as constraints */

/* hbond_psi.tbl */ 

assign (resi  10 and name  N3  and segi b)
       (resi  1 and name  H1  and segi a)  1.990 0.10 0.15
assign (resi  10 and name  H41 and segi b)
       (resi  1 and name  O6  and segi a)  1.950 0.10 0.15
assign (resi  10 and name  O2  and segi b)
       (resi  1 and name  H21 and segi a)  1.950 0.10 0.15
assign (resi  10 and name  N3  and segi b)
       (resi  1 and name  N1  and segi a)  2.900 0.10 0.15
assign (resi  10 and name  N4  and segi b)
       (resi  1 and name  O6  and segi a)  2.950 0.10 0.15
assign (resi  10 and name  O2  and segi b)
       (resi  1 and name  N2  and segi a)  2.950 0.10 0.15

assign (resi  9 and name  N3  and segi b)
       (resi  2 and name  H1  and segi a)  1.990 0.10 0.15
assign (resi  9 and name  H41 and segi b)
       (resi  2 and name  O6  and segi a)  1.950 0.10 0.15
assign (resi  9 and name  O2  and segi b)
       (resi  2 and name  H21 and segi a)  1.950 0.10 0.15
assign (resi  9 and name  N3  and segi b)
       (resi  2 and name  N1  and segi a)  2.900 0.10 0.15
assign (resi  9 and name  N4  and segi b)
       (resi  2 and name  O6  and segi a)  2.950 0.10 0.15
assign (resi  9 and name  O2  and segi b)
       (resi  2 and name  N2  and segi a)  2.950 0.10 0.15

assign (resid   3 and name  H3  and segi a)
       (resid   8 and name  N1  and segi b)  1.990 0.10 0.15
assign (resid   3 and name  O4  and segi a)
       (resid   8 and name  H61 and segi b)  1.950 0.10 0.15
assign (resid   3 and name  N3  and segi a)
       (resid   8 and name  N1  and segi b)  2.900 0.10 0.15
assign (resid   3 and name  O4  and segi a)
       (resid   8 and name  N6  and segi b)  2.950 0.10 0.15

assign (resi  3 and name  N3  and segi b)
       (resi  7 and name  H1  and segi a)  1.990 0.10 0.15
assign (resi  3 and name  H41 and segi b)
       (resi  7 and name  O6  and segi a)  1.950 0.10 0.15
assign (resi  3 and name  O2  and segi b)
       (resi  7 and name  H21 and segi a)  1.950 0.10 0.15
assign (resi  3 and name  N3  and segi b)
       (resi  7 and name  N1  and segi a)  2.900 0.10 0.15
assign (resi  3 and name  N4  and segi b)
       (resi  7 and name  O6  and segi a)  2.950 0.10 0.15
assign (resi  3 and name  O2  and segi b)
       (resi  7 and name  N2  and segi a)  2.950 0.10 0.15

assign (resid   8 and name  H3  and segi a)
       (resid   2 and name  N1  and segi b)  1.990 0.10 0.15
assign (resid   8 and name  O4  and segi a)
       (resid   2 and name  H61 and segi b)  1.950 0.10 0.15
assign (resid   8 and name  N3  and segi a)
       (resid   2 and name  N1  and segi b)  2.900 0.10 0.15
assign (resid   8 and name  O4  and segi a)
       (resid   2 and name  N6  and segi b)  2.950 0.10 0.15

assign (resid   1 and name  H3  and segi b)
       (resid   9 and name  N1  and segi a)  1.990 0.10 0.15
assign (resid   1 and name  O4  and segi b)
       (resid   9 and name  H61 and segi a)  1.950 0.10 0.15
assign (resid   1 and name  N3  and segi b)
       (resid   9 and name  N1  and segi a)  2.900 0.10 0.15
assign (resid   1 and name  O4  and segi b)
       (resid   9 and name  N6  and segi a)  2.950 0.10 0.15

assign (resid   4 and name  H3  and segi b)
       (resid   6 and name  N1  and segi a)  1.990 0.10 0.15
assign (resid   4 and name  O4  and segi b)
       (resid   6 and name  H61 and segi a)  1.950 0.10 0.15
assign (resid   4 and name  N3  and segi b)
       (resid   6 and name  N1  and segi a)  2.900 0.10 0.15
assign (resid   4 and name  O4  and segi b)
       (resid   6 and name  N6  and segi a)  2.950 0.10 0.15

assign (resi  7 and name  N3  and segi b)
       (resi  4 and name  H1  and segi a)  1.990 0.10 0.15
assign (resi  7 and name  H41 and segi b)
       (resi  4 and name  O6  and segi a)  1.950 0.10 0.15
assign (resi  7 and name  O2  and segi b)
       (resi  4 and name  H21 and segi a)  1.950 0.10 0.15
assign (resi  7 and name  N3  and segi b)
       (resi  4 and name  N1  and segi a)  2.900 0.10 0.15
assign (resi  7 and name  N4  and segi b)
       (resi  4 and name  O6  and segi a)  2.950 0.10 0.15
assign (resi  7 and name  O2  and segi b)
       (resi  4 and name  N2  and segi a)  2.950 0.10 0.15

/* d2o_psi_intra.tbl */

assi (resi   9 and name  h1' and segi a)
     (resi   9 and name  h2' and segi a) 2.50 0.90 0.50 ! 9
assi (resi  10 and name  h1' and segi b)
     (resi  10 and name  h2' and segi b) 2.50 0.90 0.50 ! 10
assi (resi   4 and name  h1' and segi b)
     (resi   4 and name  h2' and segi b) 2.50 0.90 0.50 ! 11
assi (resi   6 and name  h1' and segi a)
     (resi   6 and name  h2' and segi a) 2.50 0.90 0.50 ! 12
assi (resi   1 and name  h1' and segi b)
     (resi   1 and name  h2' and segi b) 2.50 0.90 0.50 ! 13
assi (resi   8 and name  h1' and segi b)
     (resi   8 and name  h2' and segi b) 2.50 0.90 0.50 ! 14
assi (resi   6 and name  h1' and segi b)
     (resi   6 and name  h2' and segi b) 2.50 0.90 0.50 ! 15
assi (resi   2 and name  h1' and segi b)
     (resi   2 and name  h2' and segi b) 2.50 0.90 0.50 ! 16
assi (resi   8 and name  h1' and segi a)
     (resi   8 and name  h2' and segi a) 2.50 0.90 0.50 ! 17
assi (resi   7 and name  h1' and segi a)
     (resi   7 and name  h2' and segi a) 2.50 0.90 0.50 ! 18
assi (resi   3 and name  h1' and segi b)
     (resi   3 and name  h2' and segi b) 2.50 0.90 0.50 ! 19
assi (resi   4 and name  h1' and segi a)
     (resi   4 and name  h2' and segi a) 2.50 0.90 0.50 ! 127
assi (resi   3 and name  h1' and segi a)
     (resi   3 and name  h2' and segi a) 2.50 0.90 0.50 ! 128
assi (resi   2 and name  h1' and segi a)
     (resi   2 and name  h2' and segi a) 2.50 0.90 0.50 ! 64

assi (resi  10 and name   h6 and segi b)
     (resi  10 and name  h1' and segi b) 3.50 1.50 0.70 ! 20
assi (resi   4 and name   h6 and segi b)
     (resi   4 and name  h1' and segi b) 3.50 1.50 0.70 ! 21
assi (resi   8 and name  h1' and segi b)
     (resi   8 and name   h8 and segi b) 4.50 2.00 0.90 ! 22
assi (resi   9 and name  h1' and segi a)
     (resi   9 and name   h8 and segi a) 4.50 2.00 0.90 ! 23
assi (resi   4 and name  h1' and segi a)
     (resi   4 and name   h8 and segi a) 4.50 2.00 0.90 ! 24
assi (resi   2 and name  h1' and segi b)
     (resi   2 and name   h8 and segi b) 5.50 2.50 1.10 ! 25
assi (resi   5 and name  h1' and segi b)
     (resi   5 and name   h8 and segi b) 5.50 2.50 1.10 ! 26
assi (resi   6 and name  h1' and segi b)
     (resi   6 and name   h8 and segi b) 5.50 2.50 1.10 ! 27
assi (resi   6 and name  h1' and segi a)
     (resi   6 and name   h8 and segi a) 5.50 2.50 1.10 ! 28
assi (resi   3 and name  h1' and segi a)
     (resi   3 and name   h6 and segi a) 5.50 2.50 1.10 ! 29
assi (resi   7 and name  h1' and segi a)
     (resi   7 and name   h8 and segi a) 5.50 2.50 1.10 ! 30
assi (resi   5 and name  h1' and segi a)
     (resi   5 and name   h6 and segi a) 3.50 1.50 0.70 ! 118

assi (resi   8 and name   h5 and segi a)
     (resi   8 and name  h1' and segi a) 5.50 2.50 1.10 ! 164
assi (resi   9 and name   h5 and segi b)
     (resi   9 and name  h1' and segi b) 5.50 2.50 1.10 ! 169
assi (resi   4 and name   h5 and segi b)
     (resi   4 and name  h1' and segi b) 5.50 2.50 1.10 ! 164
assi (resi   7 and name   h5 and segi b)
     (resi   7 and name  h1' and segi b) 5.50 2.50 1.10 ! 164

assi (resi   4 and name  h2' and segi b)
     (resi   4 and name   h6 and segi b) 2.50 0.90 0.50 ! 65
assi (resi   1 and name  h2' and segi b)
     (resi   1 and name   h6 and segi b) 3.50 1.50 0.70 ! 66
assi (resi   4 and name  h2' and segi a)
     (resi   4 and name   h8 and segi a) 3.50 1.50 0.70 ! 67
assi (resi   7 and name  h2' and segi b)
     (resi   7 and name   h6 and segi b) 3.50 1.50 0.70 ! 68
assi (resi  10 and name  h2' and segi b)
     (resi  10 and name   h6 and segi b) 3.50 1.50 0.70 ! 70
assi (resi   2 and name  h2' and segi b)
     (resi   2 and name   h8 and segi b) 3.50 1.50 0.70 ! 71
assi (resi   6 and name  h2' and segi b)
     (resi   6 and name   h8 and segi b) 3.50 1.50 0.70 ! 72
assi (resi   8 and name  h2' and segi a)
     (resi   8 and name   h6 and segi a) 3.50 1.50 0.70 ! 76
assi (resi   5 and name  h2' and segi a)
     (resi   5 and name   h6 and segi a) 3.50 1.50 0.70 ! 79
assi (resi   9 and name  h2' and segi b)
     (resi   9 and name   h6 and segi b) 3.50 1.50 0.70 ! 80
assi (resi   9 and name  h2' and segi a)
     (resi   9 and name   h8 and segi a) 3.50 1.50 0.70 ! 109
assi (resi   5 and name  h2' and segi b)
     (resi   5 and name   h8 and segi b) 3.50 1.50 0.70 ! 116
assi (resi   2 and name  h2' and segi a)
     (resi   2 and name   h8 and segi a) 3.50 1.50 0.70 ! 117

assi (resi   4 and name  h2' and segi b)
     (resi   4 and name   h5 and segi b) 3.50 1.50 0.70 ! 119
assi (resi   1 and name  h2' and segi b)
     (resi   1 and name   h5 and segi b) 4.50 2.00 0.90 ! 119


assi (resi   7 and name  h3' and segi b)
     (resi   7 and name   h6 and segi b) 3.50 1.50 0.70 ! 69
assi (resi   6 and name  h3' and segi a)
     (resi   6 and name   h8 and segi a) 3.50 1.50 0.70 ! 73
assi (resi   4 and name  h3' and segi b)
     (resi   4 and name   h6 and segi b) 3.50 1.50 0.70 ! 74
assi (resi   3 and name  h3' and segi a)
     (resi   3 and name   h6 and segi a) 3.50 1.50 0.70 ! 75
assi (resi   7 and name  h3' and segi a)
     (resi   7 and name   h8 and segi a) 3.50 1.50 0.70 ! 77
assi (resi   4 and name  h3' and segi a)
     (resi   4 and name   h8 and segi a) 3.50 1.50 0.70 ! 111
assi (resi   9 and name  h3' and segi b)
     (resi   9 and name   h6 and segi b) 3.50 1.50 0.70 ! 112
assi (resi   8 and name  h3' and segi a)
     (resi   8 and name   h6 and segi a) 3.50 1.50 0.70 ! 113
assi (resi   1 and name  h3' and segi b)
     (resi   1 and name   h6 and segi b) 3.50 1.50 0.70 ! 114
assi (resi   3 and name  h3' and segi b)
     (resi   3 and name   h6 and segi b) 3.50 1.50 0.70 ! 115
assi (resi   8 and name   h8 and segi b)
     (resi   8 and name  h3' and segi b) 3.50 1.50 0.70 ! 137

! H5-H6

assi (resi   1 and name   h5 and segi b)
     (resi   1 and name   h6 and segi b) 2.50 1.00 0.50 ! 23
assi (resi   3 and name   h5 and segi b)
     (resi   3 and name   h6 and segi b) 2.50 1.00 0.50 ! 23
assi (resi   4 and name   h5 and segi b)
     (resi   4 and name   h6 and segi b) 2.50 1.00 0.50 ! 23
assi (resi   7 and name   h5 and segi b)
     (resi   7 and name   h6 and segi b) 2.50 1.00 0.50 ! 23
assi (resi   9 and name   h5 and segi b)
     (resi   9 and name   h6 and segi b) 2.50 1.00 0.50 ! 23
assi (resi  10 and name   h5 and segi b)
     (resi  10 and name   h6 and segi b) 2.50 1.00 0.50 ! 23
assi (resi   3 and name   h5 and segi a)
     (resi   3 and name   h6 and segi a) 2.50 1.00 0.50 ! 23
assi (resi   8 and name   h5 and segi a)
     (resi   8 and name   h6 and segi a) 2.50 1.00 0.50 ! 23

! H2O

assi (resi   4 and name   h1 and segi a)
     (resi   4 and name  h22 and segi a) 5.50 2.50 1.10 ! 23
assi (resi   4 and name   h1 and segi a)
     (resi   4 and name  h21 and segi a) 4.50 2.00 0.90 ! 23
assi (resi   2 and name   h1 and segi a)
     (resi   2 and name  h22 and segi a) 5.50 2.50 1.10 ! 23
assi (resi   2 and name   h1 and segi a)
     (resi   2 and name  h21 and segi a) 4.50 2.00 0.90 ! 23
assi (resi   7 and name   h1 and segi a)
     (resi   7 and name  h22 and segi a) 5.50 2.50 1.10 ! 23
assi (resi   7 and name   h1 and segi a)
     (resi   7 and name  h21 and segi a) 4.50 2.00 0.90 ! 23

assi (resi   8 and name   h2 and segi b)
     (resi   8 and name  h62 and segi b) 5.50 2.50 1.10 ! 23
assi (resi   3 and name   h5 and segi b)
     (resi   3 and name  h42 and segi b) 3.50 1.50 0.70 ! 23
assi (resi   9 and name   h5 and segi b)
     (resi   9 and name  h42 and segi b) 3.50 1.50 0.70 ! 23
assi (resi  10 and name   h5 and segi b)
     (resi  10 and name  h42 and segi b) 3.50 1.50 0.70 ! 23



/* d2o_psi_inter.tbl */

assi (resi   2 and name   h8 and segi b)
     (resi   3 and name   h6 and segi b) 4.50 2.00 0.90 ! 61
assi (resi   6 and name   h8 and segi a)
     (resi   5 and name   h6 and segi a) 4.50 2.00 0.90 ! 62
assi (resi   5 and name   h8 and segi b)
     (resi   4 and name   h6 and segi b) 4.50 2.00 0.90 ! 63
assi (resi   7 and name   h6 and segi b)
     (resi   6 and name   h8 and segi b) 4.50 2.00 0.90 ! 148
assi (resi   7 and name   h6 and segi b)
     (resi   8 and name   h8 and segi b) 4.50 2.00 0.90 ! 148
assi (resi   8 and name   h6 and segi a)
     (resi   9 and name   h8 and segi a) 4.50 2.00 0.90 ! 149
assi (resi   1 and name   h6 and segi b)
     (resi   2 and name   h8 and segi b) 4.50 2.00 0.90 ! 151
assi (resi   9 and name   h6 and segi b)
     (resi   8 and name   h8 and segi b) 4.50 2.00 0.90 ! 152
assi (resi   7 and name   h8 and segi a)
     (resi   6 and name   h8 and segi a) 4.50 2.00 0.90 ! 153
assi (resi   9 and name   h6 and segi b)
     (resi  10 and name   h6 and segi b) 4.50 2.00 0.90 ! 154
assi (resi   8 and name   h6 and segi a)
     (resi   7 and name   h8 and segi a) 4.50 2.00 0.90 ! 156
assi (resi   4 and name   h8 and segi a)
     (resi   5 and name   h6 and segi a) 4.50 2.00 0.90 ! 157

assi (resi   2 and name   h8 and segi b)
     (resi   3 and name   h5 and segi b) 5.50 2.50 1.10 ! 61
assi (resi   7 and name   h5 and segi b)
     (resi   8 and name   h8 and segi b) 5.50 2.50 1.10 ! 148
assi (resi   8 and name   h5 and segi a)
     (resi   7 and name   h8 and segi a) 5.50 2.50 1.10 ! 156
assi (resi   9 and name   h5 and segi b)
     (resi   8 and name   h8 and segi b) 5.50 2.50 1.10 ! 152
assi (resi   2 and name   h8 and segi a)
     (resi   3 and name   h5 and segi a) 5.50 2.50 1.10 ! 61
assi (resi   4 and name   h5 and segi b)
     (resi   3 and name   h6 and segi b) 5.50 2.50 1.10 ! 61


assi (resi   1 and name  h1' and segi b)
     (resi   2 and name   h8 and segi b) 4.50 2.00 0.90 ! 31
assi (resi   2 and name  h1' and segi b)
     (resi   3 and name   h6 and segi b) 4.50 2.00 0.90 ! 36
assi (resi   3 and name  h1' and segi b)
     (resi   4 and name   h6 and segi b) 4.50 2.00 0.90 ! 33
assi (resi   4 and name  h1' and segi b)
     (resi   5 and name   h8 and segi b) 5.50 2.50 1.10 ! 39
assi (resi   5 and name  h1' and segi b)
     (resi   6 and name   h8 and segi b) 5.50 2.50 1.10 ! 40
assi (resi   6 and name  h1' and segi b)
     (resi   7 and name   h6 and segi b) 5.50 2.50 1.10 ! 43
assi (resi   7 and name  h1' and segi b)
     (resi   8 and name   h8 and segi b) 4.50 2.00 0.90 ! 34
assi (resi   8 and name  h1' and segi b)
     (resi   9 and name   h6 and segi b) 5.50 2.50 1.10 ! 44
assi (resi   9 and name  h1' and segi b)
     (resi  10 and name   h6 and segi b) 5.50 2.50 1.10 ! 44
assi (resi   1 and name  h1' and segi a)
     (resi   2 and name   h8 and segi a) 5.50 2.50 1.10 ! 38
assi (resi   2 and name  h1' and segi a)
     (resi   3 and name   h6 and segi a) 5.50 2.50 1.10 ! 42
assi (resi   3 and name  h1' and segi a)
     (resi   4 and name   h8 and segi a) 4.50 2.00 0.90 ! 35
assi (resi   4 and name  h1' and segi a)
     (resi   5 and name   h6 and segi a) 5.50 2.50 1.10 ! 45
assi (resi   5 and name  h1' and segi a)
     (resi   6 and name   h8 and segi a) 5.50 2.50 1.10 ! 40
assi (resi   6 and name  h1' and segi a)
     (resi   7 and name   h8 and segi a) 4.50 2.00 0.90 ! 37
assi (resi   7 and name  h1' and segi a)
     (resi   8 and name   h6 and segi a) 4.50 2.00 0.90 ! 34
assi (resi   8 and name  h1' and segi a)
     (resi   9 and name   h8 and segi a) 4.50 2.00 0.90 ! 32


assi (resi   7 and name   h5 and segi b)
     (resi   6 and name  h1' and segi b) 5.50 2.50 1.10 ! 60
assi (resi   8 and name   h5 and segi a)
     (resi   7 and name  h1' and segi a) 4.50 2.00 0.90 ! 165
assi (resi   3 and name   h5 and segi a)
     (resi   2 and name  h1' and segi a) 4.50 2.00 0.90 ! 167
assi (resi   9 and name   h5 and segi b)
     (resi   8 and name  h1' and segi b) 4.50 2.00 0.90 ! 168
assi (resi   3 and name  h5  and segi b)
     (resi   2 and name  h1' and segi b) 4.50 2.00 0.90 ! 172

assi (resi   1 and name  h2' and segi b)
     (resi   2 and name   h8 and segi b) 2.50 0.90 0.50 ! 81
assi (resi   8 and name  h2' and segi a)
     (resi   9 and name   h8 and segi a) 2.50 0.90 0.50 ! 82
assi (resi   7 and name  h2' and segi b)
     (resi   8 and name   h8 and segi b) 2.50 0.90 0.50 ! 83
assi (resi   3 and name  h2' and segi b)
     (resi   4 and name   h6 and segi b) 2.50 0.90 0.50 ! 86
assi (resi   4 and name  h2' and segi a)
     (resi   5 and name   h6 and segi a) 2.50 0.90 0.50 ! 87
assi (resi   5 and name  h2' and segi a)
     (resi   6 and name   h8 and segi a) 2.50 0.90 0.50 ! 88
assi (resi   7 and name  h2' and segi a)
     (resi   8 and name   h6 and segi a) 2.50 0.90 0.50 ! 89
assi (resi   9 and name  h2' and segi b)
     (resi  10 and name   h6 and segi b) 2.50 0.90 0.50 ! 90
assi (resi   2 and name  h2' and segi b)
     (resi   3 and name   h6 and segi b) 2.50 0.90 0.50 ! 93
assi (resi   6 and name  h2' and segi b)
     (resi   7 and name   h6 and segi b) 3.50 1.50 0.70 ! 94
assi (resi   6 and name  h2' and segi a)
     (resi   7 and name   h8 and segi a) 2.50 0.90 0.50 ! 95
assi (resi   8 and name  h2' and segi b)
     (resi   9 and name   h6 and segi b) 2.50 0.90 0.50 ! 92
assi (resi   2 and name  h2' and segi a)
     (resi   3 and name   h6 and segi a) 2.50 0.90 0.50 ! 98
assi (resi   4 and name  h2' and segi b)
     (resi   5 and name   h8 and segi b) 3.50 1.50 0.70 ! 102
assi (resi   5 and name  h2' and segi b)
     (resi   6 and name   h8 and segi b) 3.50 1.50 0.70 ! 103

assi (resi   9 and name   h5 and segi b)
     (resi   8 and name  h2' and segi b) 3.50 1.50 0.70 ! 140
assi (resi   8 and name   h5 and segi a)
     (resi   7 and name  h2' and segi a) 3.50 1.50 0.70 ! 143
assi (resi   7 and name   h5 and segi b)
     (resi   6 and name  h2' and segi b) 5.50 2.50 1.10 ! 162

assi (resi   7 and name  h3' and segi b)
     (resi   8 and name   h8 and segi b) 2.50 0.90 0.50 ! 84
assi (resi   8 and name  h3' and segi a)
     (resi   9 and name   h8 and segi a) 2.50 0.90 0.50 ! 85
assi (resi   7 and name  h3' and segi a)
     (resi   8 and name   h6 and segi a) 2.50 0.90 0.50 ! 91
assi (resi   9 and name  h3' and segi b)
     (resi  10 and name   h6 and segi b) 2.50 0.90 0.50 ! 96
assi (resi   3 and name  h3' and segi a)
     (resi   4 and name   h8 and segi a) 2.50 0.90 0.50 ! 97
assi (resi   3 and name  h3' and segi b)
     (resi   4 and name   h6 and segi b) 3.50 1.50 0.70 ! 99
assi (resi   6 and name  h3' and segi a)
     (resi   7 and name   h8 and segi a) 3.50 1.50 0.70 ! 100
assi (resi   4 and name  h3' and segi a)
     (resi   5 and name   h6 and segi a) 3.50 1.50 0.70 ! 101
assi (resi   9 and name   h6 and segi b)
     (resi   8 and name  h3' and segi b) 3.50 1.50 0.70 ! 133

assi (resi   7 and name   h5 and segi b)
     (resi   6 and name  h3' and segi b) 4.50 2.00 0.90 ! 138
assi (resi   9 and name   h5 and segi b)
     (resi   8 and name  h3' and segi b) 4.50 2.00 0.90 ! 139

assi (resi   8 and name  h2' and segi a)
     (resi   9 and name  h1' and segi a) 3.50 1.50 0.70 ! 104
assi (resi   1 and name  h2' and segi a)
     (resi   2 and name  h1' and segi a) 3.50 1.50 0.70 ! 105
assi (resi   5 and name  h2' and segi a)
     (resi   6 and name  h1' and segi a) 3.50 1.50 0.70 ! 106
assi (resi   9 and name  h2' and segi b)
     (resi  10 and name  h1' and segi b) 3.50 1.50 0.70 ! 107
assi (resi   7 and name  h2' and segi b)
     (resi   8 and name  h1' and segi b) 3.50 1.50 0.70 ! 108
assi (resi   7 and name  h1' and segi a)
     (resi   6 and name  h2' and segi a) 3.50 1.50 0.70 ! 134
assi (resi   6 and name  h1' and segi a)
     (resi   5 and name  h2' and segi a) 3.50 1.50 0.70 ! 135
assi (resi   2 and name  h1' and segi b)
     (resi   1 and name  h2' and segi b) 3.50 1.50 0.70 ! 136
assi (resi   6 and name  h1' and segi b)
     (resi   5 and name  h2' and segi b) 5.50 2.50 1.10 ! 141
assi (resi   7 and name  h1' and segi b)
     (resi   6 and name  h2' and segi b) 5.50 2.50 1.10 ! 142
assi (resi   3 and name  h2' and segi a)
     (resi   4 and name  h1' and segi a) 4.50 2.00 0.90 ! 155
assi (resi   4 and name  h1' and segi b)
     (resi   3 and name  h2' and segi b) 5.50 2.50 1.10 ! 179

assi (resi   7 and name  h3' and segi a)
     (resi   8 and name  h1' and segi a) 5.50 2.50 1.10 ! 124
assi (resi   7 and name  h3' and segi b)
     (resi   8 and name  h1' and segi b) 3.50 1.50 0.70 ! 124
! assi (resi   6 and name  h1' and segi b)
!      (resi   5 and name  h1' and segi b) 4.50 2.00 1.10 ! 126
assi (resi   8 and name  h1' and segi b)
     (resi   7 and name  h1' and segi b) 4.50 2.00 0.90 ! 170
assi (resi   3 and name  h1' and segi b)
     (resi   2 and name  h1' and segi b) 4.50 2.00 0.90 ! 171
assi (resi   8 and name  h1' and segi b)
     (resi   9 and name  h1' and segi b) 4.50 2.00 0.90 ! 170

assi (resi   9 and name  h1' and segi b)
     (resi   8 and name  h2' and segi b) 5.50 2.50 1.10 ! 180
assi (resi   9 and name  h1' and segi b)
     (resi  10 and name  h2' and segi b) 5.50 2.50 1.10 ! 181

! H2O stuff...

assi (resi   2 and name   h1 and segi a)
     (resi   3 and name   h3 and segi a) 5.50 2.50 1.10 ! 149
assi (resi   3 and name   h3 and segi a)
     (resi   4 and name   h1 and segi a) 4.50 2.00 0.90 ! 149

assi (resi   2 and name   h8 and segi b)
     (resi   3 and name  h42 and segi b) 5.50 2.50 1.10 ! 149
assi (resi   2 and name  h22 and segi a)
     (resi   1 and name  h22 and segi a) 5.50 2.50 1.10 ! 149
assi (resi   2 and name  h22 and segi a)
     (resi   8 and name   h2 and segi b) 5.50 2.50 1.10 ! 149
assi (resi   3 and name  h42 and segi b)
     (resi   2 and name  h61 and segi b) 2.50 1.00 0.50 ! 149
assi (resi  10 and name  h42 and segi b)
     (resi   9 and name  h41 and segi b) 2.50 1.00 0.50 ! 149

assi (resi   4 and name   h3 and segi b)
     (resi   6 and name   h2 and segi a) 5.50 2.50 1.10 ! 149
assi (resi   3 and name   h3 and segi a)
     (resi   8 and name   h2 and segi b) 2.50 1.00 0.50 ! 149
assi (resi   3 and name   h3 and segi a)
     (resi   8 and name  h62 and segi b) 5.50 2.50 1.10 ! 149
assi (resi   3 and name   h3 and segi a)
     (resi   8 and name  h61 and segi b) 5.50 2.50 1.10 ! 149
assi (resi   4 and name   h1 and segi a)
     (resi   8 and name  h1' and segi b) 5.50 2.50 1.10 ! 149
assi (resi   4 and name   h1 and segi a)
     (resi   7 and name  h41 and segi b) 4.50 2.00 0.90 ! 149
assi (resi   4 and name   h1 and segi a)
     (resi   7 and name  h42 and segi b) 4.50 2.00 0.90 ! 149
assi (resi   2 and name   h1 and segi a)
     (resi   9 and name  h41 and segi b) 4.50 2.00 0.90 ! 149
assi (resi   2 and name   h1 and segi a)
     (resi   9 and name  h42 and segi b) 4.50 2.00 0.90 ! 149
assi (resi   7 and name   h1 and segi a)
     (resi   3 and name  h42 and segi b) 4.50 2.00 0.90 ! 149
assi (resi   7 and name   h1 and segi a)
     (resi   3 and name  h41 and segi b) 4.50 2.00 0.90 ! 149
assi (resi   2 and name  h61 and segi b)
     (resi   3 and name   h5 and segi b) 4.50 2.00 0.90 ! 149



/* d2o_psi_lr.tbl */

assi (resi   5 and name   h2 and segi b)
     (resi   6 and name  h1' and segi a) 4.50 2.00 0.90 ! 46
assi (resi   8 and name   h2 and segi b)
     (resi   4 and name  h1' and segi a) 4.50 2.00 0.90 ! 48
assi (resi   2 and name   h2 and segi b)
     (resi   3 and name  h1' and segi b) 4.50 2.00 0.90 ! 49
assi (resi   2 and name   h2 and segi b)
     (resi   9 and name  h1' and segi a) 5.50 2.50 1.10 ! 50
assi (resi   8 and name   h2 and segi b)
     (resi   9 and name  h1' and segi b) 4.50 2.00 0.90 ! 51
assi (resi   6 and name   h2 and segi a)
     (resi   7 and name  h1' and segi a) 4.50 2.00 0.90 ! 52
assi (resi   9 and name   h2 and segi a)
     (resi   2 and name  h1' and segi b) 5.50 2.50 1.10 ! 53

assi (resi   5 and name   h2 and segi b)
     (resi   5 and name  h1' and segi a) 4.50 2.00 0.90 ! 125
assi (resi   2 and name   h2 and segi b)
     (resi   9 and name  h2' and segi a) 5.50 2.50 1.10 ! 178
assi (resi   5 and name   h2 and segi b)
     (resi   7 and name  h1' and segi b) 5.50 2.50 1.10 ! 47


!  UNOES


assi (resi   6 and name  h62 and segi b)
     (resi   4 and name  h1' and segi a) 5.00 0.00 30.00 ! 125 UNOE-no stacking (FLUORESCENCE)

assi (resi   6 and name  h61 and segi b)
     (resi   5 and name   O4 and segi a) 5.00 0.00 30.00 ! 125 UNOE-no anti psi anti A pair (weird numbering psi) (FLUORESCENCE)

assi (resi   6 and name   h8 and segi b)
     (resi   5 and name   h2 and segi b) 5.00 0.00 30.00 ! 125 UNOE-no A23H2-A24H8 NOE
assi (resi   6 and name   h8 and segi a)
     (resi   5 and name   h2 and segi b) 5.00 0.00 30.00 ! 125 UNOE-no A23H2-A7H8 NOE
assi (resi   6 and name   h2 and segi a)
     (resi   5 and name   h8 and segi b) 5.00 0.00 30.00 ! 125 UNOE-no A23H8-A7H2 NOE
assi (resi   6 and name   h2 and segi b)
     (resi   5 and name   h2 and segi b) 5.00 0.00 30.00 ! 125 UNOE-no A23H2-A24H2 NOE 
assi (resi   6 and name   h8 and segi b)
     (resi   6 and name   h2 and segi a) 5.00 0.00 30.00 ! UNOE-no A24H8-A7H2 NOE 

assi (resi   2 and name    P and segi b)
     (resi   2 and name    P and segi a) 25.00 0.00 50.00 ! 125 UNOE-no dramatic kinking
assi (resi   10 and name   P and segi b)
     (resi   9 and name    P and segi a) 25.00 0.00 50.00 ! 125 UNOE-no dramatic kinking
assi (resi   7 and name    P and segi a)
     (resi   7 and name  c2' and segi b) 10.00 0.00 30.00 ! 125 UNOE-no close strand-strand interactions
assi (resi   5 and name  c1' and segi a)
     (resi   7 and name  c2' and segi b) 10.00 0.00 30.00 ! 125 UNOE-no close strand-strand interactions

assi (resi   5 and name   h2 and segi b)
     (resi   5 and name  h2' and segi a) 5.00 0.00 30.00 ! 125 UNOE-no A23H2-psi5H2' NOE
assi (resi   6 and name   h2 and segi b)
     (resi   7 and name   h5 and segi b) 5.00 0.00 30.00 ! UNOE-no A24H2-C25H5 NOE 
assi (resi   6 and name   h8 and segi b)
     (resi   7 and name   h5 and segi b) 5.00 0.00 30.00 ! UNOE-no A24H8-C25H5 NOE 
assi (resi   6 and name   h2 and segi b)
     (resi   4 and name   h1 and segi a) 5.00 0.00 30.00 ! UNOE-no A24H2-G5H1 NOE


/* u2_chiral_psi.tbl */

assi (resi 1 and name H1' and segi A) (resi 1 and name C2' and segi A)
     (resi 1 and name O4' and segi A) (resi 1 and name N9  and segi A)  500. -65. 20. 2 !1'
assi (resi 1 and name H3' and segi A) (resi 1 and name C4' and segi A)
     (resi 1 and name C2' and segi A) (resi 1 and name O3' and segi A)  500.  65. 20. 2 !3'
assi (resi 1 and name H4' and segi A) (resi 1 and name C5' and segi A)
     (resi 1 and name C3' and segi A) (resi 1 and name O4' and segi A)  500.  65. 20. 2 !4'
assi (resi 1 and name H2' and segi A) (resi 1 and name C1' and segi A)
     (resi 1 and name C3' and segi A) (resi 1 and name O2' and segi A)  500. -65. 20. 2 !2'
 
assi (resi 2 and name H1' and segi A) (resi 2 and name C2' and segi A)
     (resi 2 and name O4' and segi A) (resi 2 and name N9  and segi A)  500. -65. 20. 2 !1'
assi (resi 2 and name H3' and segi A) (resi 2 and name C4' and segi A)
     (resi 2 and name C2' and segi A) (resi 2 and name O3' and segi A)  500.  65. 20. 2 !3'
assi (resi 2 and name H4' and segi A) (resi 2 and name C5' and segi A)
     (resi 2 and name C3' and segi A) (resi 2 and name O4' and segi A)  500.  65. 20. 2 !4'
assi (resi 2 and name H2' and segi A) (resi 2 and name C1' and segi A)
     (resi 2 and name C3' and segi A) (resi 2 and name O2' and segi A)  500. -65. 20. 2 !2'
 
assi (resi 3 and name H1' and segi A) (resi 3 and name C2' and segi A)
     (resi 3 and name O4' and segi A) (resi 3 and name N1  and segi A)  500. -65. 20. 2 !1'
assi (resi 3 and name H3' and segi A) (resi 3 and name C4' and segi A)
     (resi 3 and name C2' and segi A) (resi 3 and name O3' and segi A)  500.  65. 20. 2 !3'
assi (resi 3 and name H4' and segi A) (resi 3 and name C5' and segi A)
     (resi 3 and name C3' and segi A) (resi 3 and name O4' and segi A)  500.  65. 20. 2 !4'
assi (resi 3 and name H2' and segi A) (resi 3 and name C1' and segi A)
     (resi 3 and name C3' and segi A) (resi 3 and name O2' and segi A)  500. -65. 20. 2 !2'
 
assi (resi 4 and name H1' and segi A) (resi 4 and name C2' and segi A)
     (resi 4 and name O4' and segi A) (resi 4 and name N9  and segi A)  500. -65. 20. 2 !1'
assi (resi 4 and name H3' and segi A) (resi 4 and name C4' and segi A)
     (resi 4 and name C2' and segi A) (resi 4 and name O3' and segi A)  500.  65. 20. 2 !3'
assi (resi 4 and name H4' and segi A) (resi 4 and name C5' and segi A)
     (resi 4 and name C3' and segi A) (resi 4 and name O4' and segi A)  500.  65. 20. 2 !4'
assi (resi 4 and name H2' and segi A) (resi 4 and name C1' and segi A)
     (resi 4 and name C3' and segi A) (resi 4 and name O2' and segi A)  500. -65. 20. 2 !2'
 
assi (resi 5 and name H1' and segi A) (resi 5 and name C2' and segi A)
     (resi 5 and name O4' and segi A) (resi 5 and name CG  and segi A)  500. -65. 20. 2 !1'
assi (resi 5 and name H3' and segi A) (resi 5 and name C4' and segi A)
     (resi 5 and name C2' and segi A) (resi 5 and name O3' and segi A)  500.  65. 20. 2 !3'
assi (resi 5 and name H4' and segi A) (resi 5 and name C5' and segi A)
     (resi 5 and name C3' and segi A) (resi 5 and name O4' and segi A)  500.  65. 20. 2 !4'
assi (resi 5 and name H2' and segi A) (resi 5 and name C1' and segi A)
     (resi 5 and name C3' and segi A) (resi 5 and name O2' and segi A)  500. -65. 20. 2 !2'
 
assi (resi 6 and name H1' and segi A) (resi 6 and name C2' and segi A)
     (resi 6 and name O4' and segi A) (resi 6 and name N9  and segi A)  500. -65. 20. 2 !1'
assi (resi 6 and name H3' and segi A) (resi 6 and name C4' and segi A)
     (resi 6 and name C2' and segi A) (resi 6 and name O3' and segi A)  500.  65. 20. 2 !3'
assi (resi 6 and name H4' and segi A) (resi 6 and name C5' and segi A)
     (resi 6 and name C3' and segi A) (resi 6 and name O4' and segi A)  500.  65. 20. 2 !4'
assi (resi 6 and name H2' and segi A) (resi 6 and name C1' and segi A)
     (resi 6 and name C3' and segi A) (resi 6 and name O2' and segi A)  500. -65. 20. 2 !2'
 
assi (resi 7 and name H1' and segi A) (resi 7 and name C2' and segi A)
     (resi 7 and name O4' and segi A) (resi 7 and name N9  and segi A)  500. -65. 20. 2 !1'
assi (resi 7 and name H3' and segi A) (resi 7 and name C4' and segi A)
     (resi 7 and name C2' and segi A) (resi 7 and name O3' and segi A)  500.  65. 20. 2 !3'
assi (resi 7 and name H4' and segi A) (resi 7 and name C5' and segi A)
     (resi 7 and name C3' and segi A) (resi 7 and name O4' and segi A)  500.  65. 20. 2 !4'
assi (resi 7 and name H2' and segi A) (resi 7 and name C1' and segi A)
     (resi 7 and name C3' and segi A) (resi 7 and name O2' and segi A)  500. -65. 20. 2 !2'
 
assi (resi 8 and name H1' and segi A) (resi 8 and name C2' and segi A)
     (resi 8 and name O4' and segi A) (resi 8 and name N1  and segi A)  500. -65. 20. 2 !1'
assi (resi 8 and name H3' and segi A) (resi 8 and name C4' and segi A)
     (resi 8 and name C2' and segi A) (resi 8 and name O3' and segi A)  500.  65. 20. 2 !3'
assi (resi 8 and name H4' and segi A) (resi 8 and name C5' and segi A)
     (resi 8 and name C3' and segi A) (resi 8 and name O4' and segi A)  500.  65. 20. 2 !4'
assi (resi 8 and name H2' and segi A) (resi 8 and name C1' and segi A)
     (resi 8 and name C3' and segi A) (resi 8 and name O2' and segi A)  500. -65. 20. 2 !2'
 
assi (resi 9 and name H1' and segi A) (resi 9 and name C2' and segi A)
     (resi 9 and name O4' and segi A) (resi 9 and name N9  and segi A)  500. -65. 20. 2 !1'
assi (resi 9 and name H3' and segi A) (resi 9 and name C4' and segi A)
     (resi 9 and name C2' and segi A) (resi 9 and name O3' and segi A)  500.  65. 20. 2 !3'
assi (resi 9 and name H4' and segi A) (resi 9 and name C5' and segi A)
     (resi 9 and name C3' and segi A) (resi 9 and name O4' and segi A)  500.  65. 20. 2 !4'
assi (resi 9 and name H2' and segi A) (resi 9 and name C1' and segi A)
     (resi 9 and name C3' and segi A) (resi 9 and name O2' and segi A)  500. -65. 20. 2 !2'


assi (resi 1 and name H1' and segi B) (resi 1 and name C2' and segi B)
     (resi 1 and name O4' and segi B) (resi 1 and name N1  and segi B)  500. -65. 20. 2 !1'
assi (resi 1 and name H3' and segi B) (resi 1 and name C4' and segi B)
     (resi 1 and name C2' and segi B) (resi 1 and name O3' and segi B)  500.  65. 20. 2 !3'
assi (resi 1 and name H4' and segi B) (resi 1 and name C5' and segi B)
     (resi 1 and name C3' and segi B) (resi 1 and name O4' and segi B)  500.  65. 20. 2 !4'
assi (resi 1 and name H2' and segi B) (resi 1 and name C1' and segi B)
     (resi 1 and name C3' and segi B) (resi 1 and name O2' and segi B)  500. -65. 20. 2 !2'

assi (resi 2 and name H1' and segi B) (resi 2 and name C2' and segi B)
     (resi 2 and name O4' and segi B) (resi 2 and name N9  and segi B)  500. -65. 20. 2 !1'
assi (resi 2 and name H3' and segi B) (resi 2 and name C4' and segi B)
     (resi 2 and name C2' and segi B) (resi 2 and name O3' and segi B)  500.  65. 20. 2 !3'
assi (resi 2 and name H4' and segi B) (resi 2 and name C5' and segi B)
     (resi 2 and name C3' and segi B) (resi 2 and name O4' and segi B)  500.  65. 20. 2 !4'
assi (resi 2 and name H2' and segi B) (resi 2 and name C1' and segi B)
     (resi 2 and name C3' and segi B) (resi 2 and name O2' and segi B)  500. -65. 20. 2 !2'

assi (resi 3 and name H1' and segi B) (resi 3 and name C2' and segi B)
     (resi 3 and name O4' and segi B) (resi 3 and name N1  and segi B)  500. -65. 20. 2 !1'
assi (resi 3 and name H3' and segi B) (resi 3 and name C4' and segi B)
     (resi 3 and name C2' and segi B) (resi 3 and name O3' and segi B)  500.  65. 20. 2 !3'
assi (resi 3 and name H4' and segi B) (resi 3 and name C5' and segi B)
     (resi 3 and name C3' and segi B) (resi 3 and name O4' and segi B)  500.  65. 20. 2 !4'
assi (resi 3 and name H2' and segi B) (resi 3 and name C1' and segi B)
     (resi 3 and name C3' and segi B) (resi 3 and name O2' and segi B)  500. -65. 20. 2 !2'

assi (resi 4 and name H1' and segi B) (resi 4 and name C2' and segi B)
     (resi 4 and name O4' and segi B) (resi 4 and name N1  and segi B)  500. -65. 20. 2 !1'
assi (resi 4 and name H3' and segi B) (resi 4 and name C4' and segi B)
     (resi 4 and name C2' and segi B) (resi 4 and name O3' and segi B)  500.  65. 20. 2 !3'
assi (resi 4 and name H4' and segi B) (resi 4 and name C5' and segi B)
     (resi 4 and name C3' and segi B) (resi 4 and name O4' and segi B)  500.  65. 20. 2 !4'
assi (resi 4 and name H2' and segi B) (resi 4 and name C1' and segi B)
     (resi 4 and name C3' and segi B) (resi 4 and name O2' and segi B)  500. -65. 20. 2 !2'

assi (resi 5 and name H1' and segi B) (resi 5 and name C2' and segi B)
     (resi 5 and name O4' and segi B) (resi 5 and name N9  and segi B)  500. -65. 20. 2 !1'
assi (resi 5 and name H3' and segi B) (resi 5 and name C4' and segi B)
     (resi 5 and name C2' and segi B) (resi 5 and name O3' and segi B)  500.  65. 20. 2 !3'
assi (resi 5 and name H4' and segi B) (resi 5 and name C5' and segi B)
     (resi 5 and name C3' and segi B) (resi 5 and name O4' and segi B)  500.  65. 20. 2 !4'
assi (resi 5 and name H2' and segi B) (resi 5 and name C1' and segi B)
     (resi 5 and name C3' and segi B) (resi 5 and name O2' and segi B)  500. -65. 20. 2 !2'

assi (resi 6 and name H1' and segi B) (resi 6 and name C2' and segi B)
     (resi 6 and name O4' and segi B) (resi 6 and name N9  and segi B)  500. -65. 20. 2 !1'
assi (resi 6 and name H3' and segi B) (resi 6 and name C4' and segi B)
     (resi 6 and name C2' and segi B) (resi 6 and name O3' and segi B)  500.  65. 20. 2 !3'
assi (resi 6 and name H4' and segi B) (resi 6 and name C5' and segi B)
     (resi 6 and name C3' and segi B) (resi 6 and name O4' and segi B)  500.  65. 20. 2 !4'
assi (resi 6 and name H2' and segi B) (resi 6 and name C1' and segi B)
     (resi 6 and name C3' and segi B) (resi 6 and name O2' and segi B)  500. -65. 20. 2 !2'

assi (resi 7 and name H1' and segi B) (resi 7 and name C2' and segi B)
     (resi 7 and name O4' and segi B) (resi 7 and name N1  and segi B)  500. -65. 20. 2 !1'
assi (resi 7 and name H3' and segi B) (resi 7 and name C4' and segi B)
     (resi 7 and name C2' and segi B) (resi 7 and name O3' and segi B)  500.  65. 20. 2 !3'
assi (resi 7 and name H4' and segi B) (resi 7 and name C5' and segi B)
     (resi 7 and name C3' and segi B) (resi 7 and name O4' and segi B)  500.  65. 20. 2 !4'
assi (resi 7 and name H2' and segi B) (resi 7 and name C1' and segi B)
     (resi 7 and name C3' and segi B) (resi 7 and name O2' and segi B)  500. -65. 20. 2 !2'

assi (resi 8 and name H1' and segi B) (resi 8 and name C2' and segi B)
     (resi 8 and name O4' and segi B) (resi 8 and name N9  and segi B)  500. -65. 20. 2 !1'
assi (resi 8 and name H3' and segi B) (resi 8 and name C4' and segi B)
     (resi 8 and name C2' and segi B) (resi 8 and name O3' and segi B)  500.  65. 20. 2 !3'
assi (resi 8 and name H4' and segi B) (resi 8 and name C5' and segi B)
     (resi 8 and name C3' and segi B) (resi 8 and name O4' and segi B)  500.  65. 20. 2 !4'
assi (resi 8 and name H2' and segi B) (resi 8 and name C1' and segi B)
     (resi 8 and name C3' and segi B) (resi 8 and name O2' and segi B)  500. -65. 20. 2 !2'

assi (resi 9 and name H1' and segi B) (resi 9 and name C2' and segi B)
     (resi 9 and name O4' and segi B) (resi 9 and name N1  and segi B)  500. -65. 20. 2 !1'
assi (resi 9 and name H3' and segi B) (resi 9 and name C4' and segi B)
     (resi 9 and name C2' and segi B) (resi 9 and name O3' and segi B)  500.  65. 20. 2 !3'
assi (resi 9 and name H4' and segi B) (resi 9 and name C5' and segi B)
     (resi 9 and name C3' and segi B) (resi 9 and name O4' and segi B)  500.  65. 20. 2 !4'
assi (resi 9 and name H2' and segi B) (resi 9 and name C1' and segi B)
     (resi 9 and name C3' and segi B) (resi 9 and name O2' and segi B)  500. -65. 20. 2 !2'

assi (resi 10 and name H1' and segi B) (resi 10 and name C2' and segi B)
     (resi 10 and name O4' and segi B) (resi 10 and name N1  and segi B)  500. -65. 20. 2 !1'
assi (resi 10 and name H3' and segi B) (resi 10 and name C4' and segi B)
     (resi 10 and name C2' and segi B) (resi 10 and name O3' and segi B)  500.  65. 20. 2 !3'
assi (resi 10 and name H4' and segi B) (resi 10 and name C5' and segi B)
     (resi 10 and name C3' and segi B) (resi 10 and name O4' and segi B)  500.  65. 20. 2 !4'
assi (resi 10 and name H2' and segi B) (resi 10 and name C1' and segi B)
     (resi 10 and name C3' and segi B) (resi 10 and name O2' and segi B)  500. -65. 20. 2 !2'

 

/* aform_psi.tbl */

assi (resi 9 and name C3' and segi a) (resi 9 and name C4' and segi a)
     (resi 9 and name C5' and segi a) (resi 9 and name O5' and segi a) 5.0  54.7 24.6 2    ! 1  a-form
assi (resi 9 and name C4' and segi a) (resi 9 and name C5' and segi a)
     (resi 9 and name O5' and segi a) (resi 9 and name P   and segi a) 5.0 175.1 26.6 2    ! 2  a-form
assi (resi 9 and name C5' and segi a) (resi 9 and name O5' and segi a)
     (resi 9 and name P   and segi a) (resi 8 and name O3' and segi a) 5.0 292.0 31.5 2    ! 3  a-form
assi (resi 9 and name O5' and segi a) (resi 9 and name P   and segi a)
     (resi 8 and name O3' and segi a) (resi 8 and name C3' and segi a) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 9 and name P   and segi a) (resi 8 and name O3' and segi a)
     (resi 8 and name C3' and segi a) (resi 8 and name C4' and segi a) 5.0 201.4 28.1 2    ! 5  a-form
assi (resi 8 and name C3' and segi a) (resi 8 and name C4' and segi a)
     (resi 8 and name C5' and segi a) (resi 8 and name O5' and segi a) 5.0  54.7 24.6 2    ! 1  a-form
assi (resi 8 and name C4' and segi a) (resi 8 and name C5' and segi a)
     (resi 8 and name O5' and segi a) (resi 8 and name P   and segi a) 5.0 175.1 26.6 2    ! 2  a-form
assi (resi 8 and name C5' and segi a) (resi 8 and name O5' and segi a)
     (resi 8 and name P   and segi a) (resi 7 and name O3' and segi a) 5.0 292.0 31.5 2    ! 3  a-form
assi (resi 8 and name O5' and segi a) (resi 8 and name P   and segi a)
     (resi 7 and name O3' and segi a) (resi 7 and name C3' and segi a) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 8 and name P   and segi a) (resi 7 and name O3' and segi a)
     (resi 7 and name C3' and segi a) (resi 7 and name C4' and segi a) 5.0 201.4 28.1 2    ! 5  a-form
assi (resi 7 and name C3' and segi a) (resi 7 and name C4' and segi a)
     (resi 7 and name C5' and segi a) (resi 7 and name O5' and segi a) 5.0  54.7 24.6 2    ! 1  a-form
assi (resi 7 and name C4' and segi a) (resi 7 and name C5' and segi a)
     (resi 7 and name O5' and segi a) (resi 7 and name P   and segi a) 5.0 175.1 26.6 2    ! 2  a-form
assi (resi 7 and name C5' and segi a) (resi 7 and name O5' and segi a)
     (resi 7 and name P   and segi a) (resi 6 and name O3' and segi a) 5.0 292.0 31.5 2    ! 3  a-form
assi (resi 7 and name O5' and segi a) (resi 7 and name P   and segi a)
     (resi 6 and name O3' and segi a) (resi 6 and name C3' and segi a) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 7 and name P   and segi a) (resi 6 and name O3' and segi a)
     (resi 6 and name C3' and segi a) (resi 6 and name C4' and segi a) 5.0 201.4 28.1 2    ! 5  a-form
assi (resi 6 and name C3' and segi a) (resi 6 and name C4' and segi a)
     (resi 6 and name C5' and segi a) (resi 6 and name O5' and segi a) 5.0  54.7 24.6 2    ! 1  a-form
assi (resi 6 and name C4' and segi a) (resi 6 and name C5' and segi a)
     (resi 6 and name O5' and segi a) (resi 6 and name P   and segi a) 5.0 175.1 26.6 2    ! 2  a-form
assi (resi 6 and name C5' and segi a) (resi 6 and name O5' and segi a)
     (resi 6 and name P   and segi a) (resi 5 and name O3' and segi a) 5.0 292.0 31.5 2    ! 3  a-form
assi (resi 6 and name O5' and segi a) (resi 6 and name P   and segi a)
     (resi 5 and name O3' and segi a) (resi 5 and name C3' and segi a) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 6 and name P   and segi a) (resi 5 and name O3' and segi a)
     (resi 5 and name C3' and segi a) (resi 5 and name C4' and segi a) 5.0 201.4 28.1 2    ! 5  a-form
assi (resi 5 and name C3' and segi a) (resi 5 and name C4' and segi a)
     (resi 5 and name C5' and segi a) (resi 5 and name O5' and segi a) 5.0  54.7 24.6 2    ! 1  a-form
assi (resi 5 and name C4' and segi a) (resi 5 and name C5' and segi a)
     (resi 5 and name O5' and segi a) (resi 5 and name P   and segi a) 5.0 175.1 26.6 2    ! 2  a-form
assi (resi 5 and name C5' and segi a) (resi 5 and name O5' and segi a)
     (resi 5 and name P   and segi a) (resi 4 and name O3' and segi a) 5.0 292.0 31.5 2    ! 3  a-form
assi (resi 5 and name O5' and segi a) (resi 5 and name P   and segi a)
     (resi 4 and name O3' and segi a) (resi 4 and name C3' and segi a) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 5 and name P   and segi a) (resi 4 and name O3' and segi a)
     (resi 4 and name C3' and segi a) (resi 4 and name C4' and segi a) 5.0 201.4 28.1 2    ! 5  a-form
assi (resi 4 and name C3' and segi a) (resi 4 and name C4' and segi a)
     (resi 4 and name C5' and segi a) (resi 4 and name O5' and segi a) 5.0  54.7 24.6 2    ! 1  a-form
assi (resi 4 and name C4' and segi a) (resi 4 and name C5' and segi a)
     (resi 4 and name O5' and segi a) (resi 4 and name P   and segi a) 5.0 175.1 26.6 2    ! 2  a-form
assi (resi 4 and name C5' and segi a) (resi 4 and name O5' and segi a)
     (resi 4 and name P   and segi a) (resi 3 and name O3' and segi a) 5.0 292.0 31.5 2    ! 3  a-form
assi (resi 4 and name O5' and segi a) (resi 4 and name P   and segi a)
     (resi 3 and name O3' and segi a) (resi 3 and name C3' and segi a) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 4 and name P   and segi a) (resi 3 and name O3' and segi a)
     (resi 3 and name C3' and segi a) (resi 3 and name C4' and segi a) 5.0 201.4 28.1 2    ! 5  a-form
assi (resi 3 and name C3' and segi a) (resi 3 and name C4' and segi a)
     (resi 3 and name C5' and segi a) (resi 3 and name O5' and segi a) 5.0  54.7 24.6 2    ! 1  a-form
assi (resi 3 and name C4' and segi a) (resi 3 and name C5' and segi a)
     (resi 3 and name O5' and segi a) (resi 3 and name P   and segi a) 5.0 175.1 26.6 2    ! 2  a-form
assi (resi 3 and name C5' and segi a) (resi 3 and name O5' and segi a)
     (resi 3 and name P   and segi a) (resi 2 and name O3' and segi a) 5.0 292.0 31.5 2    ! 3  a-form
assi (resi 3 and name O5' and segi a) (resi 3 and name P   and segi a)
     (resi 2 and name O3' and segi a) (resi 2 and name C3' and segi a) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 3 and name P   and segi a) (resi 2 and name O3' and segi a)
     (resi 2 and name C3' and segi a) (resi 2 and name C4' and segi a) 5.0 201.4 28.1 2    ! 5  a-form
assi (resi 2 and name C3' and segi a) (resi 2 and name C4' and segi a)
     (resi 2 and name C5' and segi a) (resi 2 and name O5' and segi a) 5.0  54.7 24.6 2    ! 1  a-form
assi (resi 2 and name C4' and segi a) (resi 2 and name C5' and segi a)
     (resi 2 and name O5' and segi a) (resi 2 and name P   and segi a) 5.0 175.1 26.6 2    ! 2  a-form
assi (resi 2 and name C5' and segi a) (resi 2 and name O5' and segi a)
     (resi 2 and name P   and segi a) (resi 1 and name O3' and segi a) 5.0 292.0 31.5 2    ! 3  a-form
assi (resi 2 and name O5' and segi a) (resi 2 and name P   and segi a)
     (resi 1 and name O3' and segi a) (resi 1 and name C3' and segi a) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 2 and name P   and segi a) (resi 1 and name O3' and segi a)
     (resi 1 and name C3' and segi a) (resi 1 and name C4' and segi a) 5.0 201.4 28.1 2    ! 5  a-form



assi (resi 10 and name C3' and segi b) (resi 10 and name C4' and segi b)
     (resi 10 and name C5' and segi b) (resi 10 and name O5' and segi b) 5.0  54.7 24.6 2    ! 1  a-form
assi (resi 10 and name C4' and segi b) (resi 10 and name C5' and segi b)
     (resi 10 and name O5' and segi b) (resi 10 and name P   and segi b) 5.0 175.1 26.6 2    ! 2  a-form
assi (resi 10 and name C5' and segi b) (resi 10 and name O5' and segi b)
     (resi 10 and name P   and segi b) (resi 9 and name O3' and segi b) 5.0 292.0 31.5 2    ! 3  a-form
assi (resi 10 and name O5' and segi b) (resi 10 and name P   and segi b)
     (resi 9 and name O3' and segi b) (resi 9 and name C3' and segi b) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 10 and name P   and segi b) (resi 9 and name O3' and segi b)
     (resi 9 and name C3' and segi b) (resi 9 and name C4' and segi b) 5.0 201.4 28.1 2    ! 5  a-form
assi (resi 9 and name C3' and segi b) (resi 9 and name C4' and segi b)
     (resi 9 and name C5' and segi b) (resi 9 and name O5' and segi b) 5.0  54.7 24.6 2    ! 1  a-form
assi (resi 9 and name C4' and segi b) (resi 9 and name C5' and segi b)
     (resi 9 and name O5' and segi b) (resi 9 and name P   and segi b) 5.0 175.1 26.6 2    ! 2  a-form
assi (resi 9 and name C5' and segi b) (resi 9 and name O5' and segi b)
     (resi 9 and name P   and segi b) (resi 8 and name O3' and segi b) 5.0 292.0 31.5 2    ! 3  a-form
assi (resi 9 and name O5' and segi b) (resi 9 and name P   and segi b)
     (resi 8 and name O3' and segi b) (resi 8 and name C3' and segi b) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 9 and name P   and segi b) (resi 8 and name O3' and segi b)
     (resi 8 and name C3' and segi b) (resi 8 and name C4' and segi b) 5.0 201.4 28.1 2    ! 5  a-form

assi (resi 8 and name C3' and segi b) (resi 8 and name C4' and segi b)
     (resi 8 and name C5' and segi b) (resi 8 and name O5' and segi b) 5.0  54.7 24.6 2    ! 1  a-form
assi (resi 8 and name C4' and segi b) (resi 8 and name C5' and segi b)
     (resi 8 and name O5' and segi b) (resi 8 and name P   and segi b) 5.0 175.1 26.6 2    ! 2  a-form
assi (resi 8 and name C5' and segi b) (resi 8 and name O5' and segi b)
     (resi 8 and name P   and segi b) (resi 7 and name O3' and segi b) 5.0 292.0 31.5 2    ! 3  a-form

assi (resi 8 and name O5' and segi b) (resi 8 and name P   and segi b)
     (resi 7 and name O3' and segi b) (resi 7 and name C3' and segi b) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 8 and name P   and segi b) (resi 7 and name O3' and segi b)
     (resi 7 and name C3' and segi b) (resi 7 and name C4' and segi b) 5.0 201.4 28.1 2    ! 5  a-form

!  assi (resi 7 and name C3' and segi b) (resi 7 and name C4' and segi b)
!       (resi 7 and name C5' and segi b) (resi 7 and name O5' and segi b) 5.0  54.7 24.6 2    ! 1  a-form
!  assi (resi 7 and name C4' and segi b) (resi 7 and name C5' and segi b)
!       (resi 7 and name O5' and segi b) (resi 7 and name P   and segi b) 5.0 175.1 26.6 2    ! 2  a-form
!  assi (resi 7 and name C5' and segi b) (resi 7 and name O5' and segi b)
!       (resi 7 and name P   and segi b) (resi 6 and name O3' and segi b) 5.0 292.0 31.5 2    ! 3  a-form

! assi (resi 7 and name O5' and segi b) (resi 7 and name P   and segi b)
!      (resi 6 and name O3' and segi b) (resi 6 and name C3' and segi b) 5.0 290.2 26.9 2    ! 4  a-form
! assi (resi 7 and name P   and segi b) (resi 6 and name O3' and segi b)
!      (resi 6 and name C3' and segi b) (resi 6 and name C4' and segi b) 5.0 201.4 28.1 2    ! 5  a-form
! assi (resi 6 and name C3' and segi b) (resi 6 and name C4' and segi b)
!      (resi 6 and name C5' and segi b) (resi 6 and name O5' and segi b) 5.0  54.7 24.6 2    ! 1  a-form
! assi (resi 6 and name C4' and segi b) (resi 6 and name C5' and segi b)
!      (resi 6 and name O5' and segi b) (resi 6 and name P   and segi b) 5.0 175.1 26.6 2    ! 2  a-form
! assi (resi 6 and name C5' and segi b) (resi 6 and name O5' and segi b)
!      (resi 6 and name P   and segi b) (resi 5 and name O3' and segi b) 5.0 292.0 31.5 2    ! 3  a-form

! assi (resi 6 and name O5' and segi b) (resi 6 and name P   and segi b)
!      (resi 5 and name O3' and segi b) (resi 5 and name C3' and segi b) 5.0 290.2 26.9 2    ! 4  a-form
! assi (resi 6 and name P   and segi b) (resi 5 and name O3' and segi b)                                 
!      (resi 5 and name C3' and segi b) (resi 5 and name C4' and segi b) 5.0 201.4 28.1 2    ! 5  a-form


! assi (resi 5 and name C3' and segi b) (resi 5 and name C4' and segi b)
!      (resi 5 and name C5' and segi b) (resi 5 and name O5' and segi b) 5.0  54.7 24.6 2    ! 1  a-form
! assi (resi 5 and name C4' and segi b) (resi 5 and name C5' and segi b)
!      (resi 5 and name O5' and segi b) (resi 5 and name P   and segi b) 5.0 175.1 26.6 2    ! 2  a-form
! assi (resi 5 and name C5' and segi b) (resi 5 and name O5' and segi b)
!      (resi 5 and name P   and segi b) (resi 4 and name O3' and segi b) 5.0 292.0 31.5 2    ! 3  a-form

assi (resi 5 and name O5' and segi b) (resi 5 and name P   and segi b)
     (resi 4 and name O3' and segi b) (resi 4 and name C3' and segi b) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 5 and name P   and segi b) (resi 4 and name O3' and segi b)
     (resi 4 and name C3' and segi b) (resi 4 and name C4' and segi b) 5.0 201.4 28.1 2    ! 5  a-form

assi (resi 4 and name C3' and segi b) (resi 4 and name C4' and segi b)
     (resi 4 and name C5' and segi b) (resi 4 and name O5' and segi b) 5.0  54.7 24.6 2    ! 1  a-form
assi (resi 4 and name C4' and segi b) (resi 4 and name C5' and segi b)
     (resi 4 and name O5' and segi b) (resi 4 and name P   and segi b) 5.0 175.1 26.6 2    ! 2  a-form
assi (resi 4 and name C5' and segi b) (resi 4 and name O5' and segi b)
     (resi 4 and name P   and segi b) (resi 3 and name O3' and segi b) 5.0 292.0 31.5 2    ! 3  a-form
assi (resi 4 and name O5' and segi b) (resi 4 and name P   and segi b)
     (resi 3 and name O3' and segi b) (resi 3 and name C3' and segi b) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 4 and name P   and segi b) (resi 3 and name O3' and segi b)
     (resi 3 and name C3' and segi b) (resi 3 and name C4' and segi b) 5.0 201.4 28.1 2    ! 5  a-form
assi (resi 3 and name C3' and segi b) (resi 3 and name C4' and segi b)
     (resi 3 and name C5' and segi b) (resi 3 and name O5' and segi b) 5.0  54.7 24.6 2    ! 1  a-form
assi (resi 3 and name C4' and segi b) (resi 3 and name C5' and segi b)
     (resi 3 and name O5' and segi b) (resi 3 and name P   and segi b) 5.0 175.1 26.6 2    ! 2  a-form
assi (resi 3 and name C5' and segi b) (resi 3 and name O5' and segi b)
     (resi 3 and name P   and segi b) (resi 2 and name O3' and segi b) 5.0 292.0 31.5 2    ! 3  a-form
assi (resi 3 and name O5' and segi b) (resi 3 and name P   and segi b)
     (resi 2 and name O3' and segi b) (resi 2 and name C3' and segi b) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 3 and name P   and segi b) (resi 2 and name O3' and segi b)
     (resi 2 and name C3' and segi b) (resi 2 and name C4' and segi b) 5.0 201.4 28.1 2    ! 5  a-form
assi (resi 2 and name C3' and segi b) (resi 2 and name C4' and segi b)
     (resi 2 and name C5' and segi b) (resi 2 and name O5' and segi b) 5.0  54.7 24.6 2    ! 1  a-form
assi (resi 2 and name C4' and segi b) (resi 2 and name C5' and segi b)
     (resi 2 and name O5' and segi b) (resi 2 and name P   and segi b) 5.0 175.1 26.6 2    ! 2  a-form
assi (resi 2 and name C5' and segi b) (resi 2 and name O5' and segi b)
     (resi 2 and name P   and segi b) (resi 1 and name O3' and segi b) 5.0 292.0 31.5 2    ! 3  a-form
assi (resi 2 and name O5' and segi b) (resi 2 and name P   and segi b)
     (resi 1 and name O3' and segi b) (resi 1 and name C3' and segi b) 5.0 290.2 26.9 2    ! 4  a-form
assi (resi 2 and name P   and segi b) (resi 1 and name O3' and segi b)
     (resi 1 and name C3' and segi b) (resi 1 and name C4' and segi b) 5.0 201.4 28.1 2    ! 5  a-form


/* c3psi.tbl */

assi (resi 1 and name C1' and segi a) (resi 1 and name C2' and segi a)
     (resi 1 and name C3' and segi a) (resi 1 and name C4' and segi a) 25.0  39.5 15.1 2 ! C3
assi (resi 1 and name C1' and segi a) (resi 1 and name C2' and segi a)
     (resi 1 and name C3' and segi a) (resi 1 and name O3' and segi a) 25.0 159.2 15.6 2 ! C3
assi (resi 1 and name C2' and segi a) (resi 1 and name C3' and segi a)
     (resi 1 and name C4' and segi a) (resi 1 and name O4' and segi a) 25.0 320.3 17.8 2 ! C3
assi (resi 1 and name C3' and segi a) (resi 1 and name C4' and segi a)
     (resi 1 and name O4' and segi a) (resi 1 and name C1' and segi a) 25.0  24.2 20.8 2 ! C3
assi (resi 1 and name C4' and segi a) (resi 1 and name O4' and segi a)
     (resi 1 and name C1' and segi a) (resi 1 and name C2' and segi a) 25.0   1.4 20.1 2 ! C3
assi (resi 1 and name O4' and segi a) (resi 1 and name C1' and segi a)
     (resi 1 and name C2' and segi a) (resi 1 and name C3' and segi a) 25.0 -26.1 16.4 2 ! C3
assi (resi 1 and name O3' and segi a) (resi 1 and name C3' and segi a)
     (resi 1 and name C4' and segi a) (resi 1 and name C5' and segi a) 25.0  80.4 20.7 2 ! C3
assi (resi 2 and name C1' and segi a) (resi 2 and name C2' and segi a)
     (resi 2 and name C3' and segi a) (resi 2 and name C4' and segi a) 25.0  39.5 15.1 2 ! C3
assi (resi 2 and name C1' and segi a) (resi 2 and name C2' and segi a)
     (resi 2 and name C3' and segi a) (resi 2 and name O3' and segi a) 25.0 159.2 15.6 2 ! C3
assi (resi 2 and name C2' and segi a) (resi 2 and name C3' and segi a)
     (resi 2 and name C4' and segi a) (resi 2 and name O4' and segi a) 25.0 320.3 17.8 2 ! C3
assi (resi 2 and name C3' and segi a) (resi 2 and name C4' and segi a)
     (resi 2 and name O4' and segi a) (resi 2 and name C1' and segi a) 25.0  24.2 20.8 2 ! C3
assi (resi 2 and name C4' and segi a) (resi 2 and name O4' and segi a)
     (resi 2 and name C1' and segi a) (resi 2 and name C2' and segi a) 25.0   1.4 20.1 2 ! C3
assi (resi 2 and name O4' and segi a) (resi 2 and name C1' and segi a)
     (resi 2 and name C2' and segi a) (resi 2 and name C3' and segi a) 25.0 -26.1 16.4 2 ! C3
assi (resi 2 and name O3' and segi a) (resi 2 and name C3' and segi a)
     (resi 2 and name C4' and segi a) (resi 2 and name C5' and segi a) 25.0  80.4 20.7 2 ! C3
assi (resi 3 and name C1' and segi a) (resi 3 and name C2' and segi a)
     (resi 3 and name C3' and segi a) (resi 3 and name C4' and segi a) 25.0  39.5 15.1 2 ! C3
assi (resi 3 and name C1' and segi a) (resi 3 and name C2' and segi a)
     (resi 3 and name C3' and segi a) (resi 3 and name O3' and segi a) 25.0 159.2 15.6 2 ! C3
assi (resi 3 and name C2' and segi a) (resi 3 and name C3' and segi a)
     (resi 3 and name C4' and segi a) (resi 3 and name O4' and segi a) 25.0 320.3 17.8 2 ! C3
assi (resi 3 and name C3' and segi a) (resi 3 and name C4' and segi a)
     (resi 3 and name O4' and segi a) (resi 3 and name C1' and segi a) 25.0  24.2 20.8 2 ! C3
assi (resi 3 and name C4' and segi a) (resi 3 and name O4' and segi a)
     (resi 3 and name C1' and segi a) (resi 3 and name C2' and segi a) 25.0   1.4 20.1 2 ! C3
assi (resi 3 and name O4' and segi a) (resi 3 and name C1' and segi a)
     (resi 3 and name C2' and segi a) (resi 3 and name C3' and segi a) 25.0 -26.1 16.4 2 ! C3
assi (resi 3 and name O3' and segi a) (resi 3 and name C3' and segi a)
     (resi 3 and name C4' and segi a) (resi 3 and name C5' and segi a) 25.0  80.4 20.7 2 ! C3
assi (resi 4 and name C1' and segi a) (resi 4 and name C2' and segi a)
     (resi 4 and name C3' and segi a) (resi 4 and name C4' and segi a) 25.0  39.5 15.1 2 ! C3
assi (resi 4 and name C1' and segi a) (resi 4 and name C2' and segi a)
     (resi 4 and name C3' and segi a) (resi 4 and name O3' and segi a) 25.0 159.2 15.6 2 ! C3
assi (resi 4 and name C2' and segi a) (resi 4 and name C3' and segi a)
     (resi 4 and name C4' and segi a) (resi 4 and name O4' and segi a) 25.0 320.3 17.8 2 ! C3
assi (resi 4 and name C3' and segi a) (resi 4 and name C4' and segi a)
     (resi 4 and name O4' and segi a) (resi 4 and name C1' and segi a) 25.0  24.2 20.8 2 ! C3
assi (resi 4 and name C4' and segi a) (resi 4 and name O4' and segi a)
     (resi 4 and name C1' and segi a) (resi 4 and name C2' and segi a) 25.0   1.4 20.1 2 ! C3
assi (resi 4 and name O4' and segi a) (resi 4 and name C1' and segi a)
     (resi 4 and name C2' and segi a) (resi 4 and name C3' and segi a) 25.0 -26.1 16.4 2 ! C3
assi (resi 4 and name O3' and segi a) (resi 4 and name C3' and segi a)
     (resi 4 and name C4' and segi a) (resi 4 and name C5' and segi a) 25.0  80.4 20.7 2        ! C3

! assi (resi 5 and name C1' and segi a) (resi 5 and name C2' and segi a)
!      (resi 5 and name C3' and segi a) (resi 5 and name C4' and segi a) 25.0  39.5 15.1 2 ! C3
! assi (resi 5 and name C1' and segi a) (resi 5 and name C2' and segi a)
!      (resi 5 and name C3' and segi a) (resi 5 and name O3' and segi a) 25.0 159.2 15.6 2 ! C3
! assi (resi 5 and name C2' and segi a) (resi 5 and name C3' and segi a)
!      (resi 5 and name C4' and segi a) (resi 5 and name O4' and segi a) 25.0 320.3 17.8 2 ! C3
! assi (resi 5 and name C3' and segi a) (resi 5 and name C4' and segi a)
!      (resi 5 and name O4' and segi a) (resi 5 and name C1' and segi a) 25.0  24.2 20.8 2 ! C3
! assi (resi 5 and name C4' and segi a) (resi 5 and name O4' and segi a)
!      (resi 5 and name C1' and segi a) (resi 5 and name C2' and segi a) 25.0   1.4 20.1 2 ! C3
! assi (resi 5 and name O4' and segi a) (resi 5 and name C1' and segi a)
!      (resi 5 and name C2' and segi a) (resi 5 and name C3' and segi a) 25.0 -26.1 16.4 2 ! C3
! assi (resi 5 and name O3' and segi a) (resi 5 and name C3' and segi a)
!      (resi 5 and name C4' and segi a) (resi 5 and name C5' and segi a) 25.0  80.4 20.7 2      ! C3

assi (resi 6 and name C1' and segi a) (resi 6 and name C2' and segi a)
     (resi 6 and name C3' and segi a) (resi 6 and name C4' and segi a) 25.0  39.5 15.1 2 ! C3
assi (resi 6 and name C1' and segi a) (resi 6 and name C2' and segi a)
     (resi 6 and name C3' and segi a) (resi 6 and name O3' and segi a) 25.0 159.2 15.6 2 ! C3
assi (resi 6 and name C2' and segi a) (resi 6 and name C3' and segi a)
     (resi 6 and name C4' and segi a) (resi 6 and name O4' and segi a) 25.0 320.3 17.8 2 ! C3
assi (resi 6 and name C3' and segi a) (resi 6 and name C4' and segi a)
     (resi 6 and name O4' and segi a) (resi 6 and name C1' and segi a) 25.0  24.2 20.8 2 ! C3
assi (resi 6 and name C4' and segi a) (resi 6 and name O4' and segi a)
     (resi 6 and name C1' and segi a) (resi 6 and name C2' and segi a) 25.0   1.4 20.1 2 ! C3
assi (resi 6 and name O4' and segi a) (resi 6 and name C1' and segi a)
     (resi 6 and name C2' and segi a) (resi 6 and name C3' and segi a) 25.0 -26.1 16.4 2 ! C3
assi (resi 6 and name O3' and segi a) (resi 6 and name C3' and segi a)
     (resi 6 and name C4' and segi a) (resi 6 and name C5' and segi a) 25.0  80.4 20.7 2        ! C3
assi (resi 7 and name C1' and segi a) (resi 7 and name C2' and segi a)
     (resi 7 and name C3' and segi a) (resi 7 and name C4' and segi a) 25.0  39.5 15.1 2 ! C3
assi (resi 7 and name C1' and segi a) (resi 7 and name C2' and segi a)
     (resi 7 and name C3' and segi a) (resi 7 and name O3' and segi a) 25.0 159.2 15.6 2 ! C3
assi (resi 7 and name C2' and segi a) (resi 7 and name C3' and segi a)
     (resi 7 and name C4' and segi a) (resi 7 and name O4' and segi a) 25.0 320.3 17.8 2 ! C3
assi (resi 7 and name C3' and segi a) (resi 7 and name C4' and segi a)
     (resi 7 and name O4' and segi a) (resi 7 and name C1' and segi a) 25.0  24.2 20.8 2 ! C3
assi (resi 7 and name C4' and segi a) (resi 7 and name O4' and segi a)
     (resi 7 and name C1' and segi a) (resi 7 and name C2' and segi a) 25.0   1.4 20.1 2 ! C3
assi (resi 7 and name O4' and segi a) (resi 7 and name C1' and segi a)
     (resi 7 and name C2' and segi a) (resi 7 and name C3' and segi a) 25.0 -26.1 16.4 2 ! C3
assi (resi 7 and name O3' and segi a) (resi 7 and name C3' and segi a)
     (resi 7 and name C4' and segi a) (resi 7 and name C5' and segi a) 25.0  80.4 20.7 2 ! C3
assi (resi 8 and name C1' and segi a) (resi 8 and name C2' and segi a)
     (resi 8 and name C3' and segi a) (resi 8 and name C4' and segi a) 25.0  39.5 15.1 2 ! C3
assi (resi 8 and name C1' and segi a) (resi 8 and name C2' and segi a)
     (resi 8 and name C3' and segi a) (resi 8 and name O3' and segi a) 25.0 159.2 15.6 2 ! C3
assi (resi 8 and name C2' and segi a) (resi 8 and name C3' and segi a)
     (resi 8 and name C4' and segi a) (resi 8 and name O4' and segi a) 25.0 320.3 17.8 2 ! C3
assi (resi 8 and name C3' and segi a) (resi 8 and name C4' and segi a)
     (resi 8 and name O4' and segi a) (resi 8 and name C1' and segi a) 25.0  24.2 20.8 2 ! C3
assi (resi 8 and name C4' and segi a) (resi 8 and name O4' and segi a)
     (resi 8 and name C1' and segi a) (resi 8 and name C2' and segi a) 25.0   1.4 20.1 2 ! C3
assi (resi 8 and name O4' and segi a) (resi 8 and name C1' and segi a)
     (resi 8 and name C2' and segi a) (resi 8 and name C3' and segi a) 25.0 -26.1 16.4 2 ! C3
assi (resi 8 and name O3' and segi a) (resi 8 and name C3' and segi a)
     (resi 8 and name C4' and segi a) (resi 8 and name C5' and segi a) 25.0  80.4 20.7 2 ! C3

assi (resi 1 and name C1' and segi b) (resi 1 and name C2' and segi b)
     (resi 1 and name C3' and segi b) (resi 1 and name C4' and segi b) 25.0  39.5 15.1 2 ! C3
assi (resi 1 and name C1' and segi b) (resi 1 and name C2' and segi b)
     (resi 1 and name C3' and segi b) (resi 1 and name O3' and segi b) 25.0 159.2 15.6 2 ! C3
assi (resi 1 and name C2' and segi b) (resi 1 and name C3' and segi b)
     (resi 1 and name C4' and segi b) (resi 1 and name O4' and segi b) 25.0 320.3 17.8 2 ! C3
assi (resi 1 and name C3' and segi b) (resi 1 and name C4' and segi b)
     (resi 1 and name O4' and segi b) (resi 1 and name C1' and segi b) 25.0  24.2 20.8 2 ! C3
assi (resi 1 and name C4' and segi b) (resi 1 and name O4' and segi b)
     (resi 1 and name C1' and segi b) (resi 1 and name C2' and segi b) 25.0   1.4 20.1 2 ! C3
assi (resi 1 and name O4' and segi b) (resi 1 and name C1' and segi b)
     (resi 1 and name C2' and segi b) (resi 1 and name C3' and segi b) 25.0 -26.1 16.4 2 ! C3
assi (resi 1 and name O3' and segi b) (resi 1 and name C3' and segi b)
     (resi 1 and name C4' and segi b) (resi 1 and name C5' and segi b) 25.0  80.4 20.7 2 ! C3
assi (resi 2 and name C1' and segi b) (resi 2 and name C2' and segi b)
     (resi 2 and name C3' and segi b) (resi 2 and name C4' and segi b) 25.0  39.5 15.1 2 ! C3
assi (resi 2 and name C1' and segi b) (resi 2 and name C2' and segi b)
     (resi 2 and name C3' and segi b) (resi 2 and name O3' and segi b) 25.0 159.2 15.6 2 ! C3
assi (resi 2 and name C2' and segi b) (resi 2 and name C3' and segi b)
     (resi 2 and name C4' and segi b) (resi 2 and name O4' and segi b) 25.0 320.3 17.8 2 ! C3
assi (resi 2 and name C3' and segi b) (resi 2 and name C4' and segi b)
     (resi 2 and name O4' and segi b) (resi 2 and name C1' and segi b) 25.0  24.2 20.8 2 ! C3
assi (resi 2 and name C4' and segi b) (resi 2 and name O4' and segi b)
     (resi 2 and name C1' and segi b) (resi 2 and name C2' and segi b) 25.0   1.4 20.1 2 ! C3
assi (resi 2 and name O4' and segi b) (resi 2 and name C1' and segi b)
     (resi 2 and name C2' and segi b) (resi 2 and name C3' and segi b) 25.0 -26.1 16.4 2 ! C3
assi (resi 2 and name O3' and segi b) (resi 2 and name C3' and segi b)
     (resi 2 and name C4' and segi b) (resi 2 and name C5' and segi b) 25.0  80.4 20.7 2 ! C3
assi (resi 3 and name C1' and segi b) (resi 3 and name C2' and segi b)
     (resi 3 and name C3' and segi b) (resi 3 and name C4' and segi b) 25.0  39.5 15.1 2 ! C3
assi (resi 3 and name C1' and segi b) (resi 3 and name C2' and segi b)
     (resi 3 and name C3' and segi b) (resi 3 and name O3' and segi b) 25.0 159.2 15.6 2 ! C3
assi (resi 3 and name C2' and segi b) (resi 3 and name C3' and segi b)
     (resi 3 and name C4' and segi b) (resi 3 and name O4' and segi b) 25.0 320.3 17.8 2 ! C3
assi (resi 3 and name C3' and segi b) (resi 3 and name C4' and segi b)
     (resi 3 and name O4' and segi b) (resi 3 and name C1' and segi b) 25.0  24.2 20.8 2 ! C3
assi (resi 3 and name C4' and segi b) (resi 3 and name O4' and segi b)
     (resi 3 and name C1' and segi b) (resi 3 and name C2' and segi b) 25.0   1.4 20.1 2 ! C3
assi (resi 3 and name O4' and segi b) (resi 3 and name C1' and segi b)
     (resi 3 and name C2' and segi b) (resi 3 and name C3' and segi b) 25.0 -26.1 16.4 2 ! C3
assi (resi 3 and name O3' and segi b) (resi 3 and name C3' and segi b)
     (resi 3 and name C4' and segi b) (resi 3 and name C5' and segi b) 25.0  80.4 20.7 2 ! C3

assi (resi 7 and name C1' and segi b) (resi 7 and name C2' and segi b)
     (resi 7 and name C3' and segi b) (resi 7 and name C4' and segi b) 25.0  39.5 15.1 2 ! C3
assi (resi 7 and name C1' and segi b) (resi 7 and name C2' and segi b)
     (resi 7 and name C3' and segi b) (resi 7 and name O3' and segi b) 25.0 159.2 15.6 2 ! C3
assi (resi 7 and name C2' and segi b) (resi 7 and name C3' and segi b)
     (resi 7 and name C4' and segi b) (resi 7 and name O4' and segi b) 25.0 320.3 17.8 2 ! C3
assi (resi 7 and name C3' and segi b) (resi 7 and name C4' and segi b)
     (resi 7 and name O4' and segi b) (resi 7 and name C1' and segi b) 25.0  24.2 20.8 2 ! C3
assi (resi 7 and name C4' and segi b) (resi 7 and name O4' and segi b)
     (resi 7 and name C1' and segi b) (resi 7 and name C2' and segi b) 25.0   1.4 20.1 2 ! C3
assi (resi 7 and name O4' and segi b) (resi 7 and name C1' and segi b)
     (resi 7 and name C2' and segi b) (resi 7 and name C3' and segi b) 25.0 -26.1 16.4 2 ! C3
assi (resi 7 and name O3' and segi b) (resi 7 and name C3' and segi b)
     (resi 7 and name C4' and segi b) (resi 7 and name C5' and segi b) 25.0  80.4 20.7 2 ! C3
assi (resi 8 and name C1' and segi b) (resi 8 and name C2' and segi b)
     (resi 8 and name C3' and segi b) (resi 8 and name C4' and segi b) 25.0  39.5 15.1 2 ! C3
assi (resi 8 and name C1' and segi b) (resi 8 and name C2' and segi b)
     (resi 8 and name C3' and segi b) (resi 8 and name O3' and segi b) 25.0 159.2 15.6 2 ! C3
assi (resi 8 and name C2' and segi b) (resi 8 and name C3' and segi b)
     (resi 8 and name C4' and segi b) (resi 8 and name O4' and segi b) 25.0 320.3 17.8 2 ! C3
assi (resi 8 and name C3' and segi b) (resi 8 and name C4' and segi b)
     (resi 8 and name O4' and segi b) (resi 8 and name C1' and segi b) 25.0  24.2 20.8 2 ! C3
assi (resi 8 and name C4' and segi b) (resi 8 and name O4' and segi b)
     (resi 8 and name C1' and segi b) (resi 8 and name C2' and segi b) 25.0   1.4 20.1 2 ! C3
assi (resi 8 and name O4' and segi b) (resi 8 and name C1' and segi b)
     (resi 8 and name C2' and segi b) (resi 8 and name C3' and segi b) 25.0 -26.1 16.4 2 ! C3
assi (resi 8 and name O3' and segi b) (resi 8 and name C3' and segi b)
     (resi 8 and name C4' and segi b) (resi 8 and name C5' and segi b) 25.0  80.4 20.7 2 ! C3
assi (resi 9 and name C1' and segi b) (resi 9 and name C2' and segi b)
     (resi 9 and name C3' and segi b) (resi 9 and name C4' and segi b) 25.0  39.5 15.1 2 ! C3
assi (resi 9 and name C1' and segi b) (resi 9 and name C2' and segi b)
     (resi 9 and name C3' and segi b) (resi 9 and name O3' and segi b) 25.0 159.2 15.6 2 ! C3
assi (resi 9 and name C2' and segi b) (resi 9 and name C3' and segi b)
     (resi 9 and name C4' and segi b) (resi 9 and name O4' and segi b) 25.0 320.3 17.8 2 ! C3
assi (resi 9 and name C3' and segi b) (resi 9 and name C4' and segi b)
     (resi 9 and name O4' and segi b) (resi 9 and name C1' and segi b) 25.0  24.2 20.8 2 ! C3
assi (resi 9 and name C4' and segi b) (resi 9 and name O4' and segi b)
     (resi 9 and name C1' and segi b) (resi 9 and name C2' and segi b) 25.0   1.4 20.1 2 ! C3
assi (resi 9 and name O4' and segi b) (resi 9 and name C1' and segi b)
     (resi 9 and name C2' and segi b) (resi 9 and name C3' and segi b) 25.0 -26.1 16.4 2 ! C3
assi (resi 9 and name O3' and segi b) (resi 9 and name C3' and segi b)
     (resi 9 and name C4' and segi b) (resi 9 and name C5' and segi b) 25.0  80.4 20.7 2 ! C3


/* c2psi.tbl */

assi (resi 6 and name C1' and segi b) (resi 6 and name C2' and segi b)
     (resi 6 and name C3' and segi b) (resi 6 and name C4' and segi b) 25.0  -36.0 15.1 2 ! C2
assi (resi 6 and name C4' and segi b) (resi 6 and name O4' and segi b)
     (resi 6 and name C1' and segi b) (resi 6 and name C2' and segi b) 25.0  -22.0 20.1 2 ! C2


/* psi_chi.tbl */

assi (resi 1 and name  O4' and segi a)(resi 1 and name  C1' and segi a)
     (resi 1 and name  N9  and segi a)(resi 1 and name  C4  and segi a)  25.0  -120.0  40.0  2
assi (resi 2 and name  O4' and segi a)(resi 2 and name  C1' and segi a)
     (resi 2 and name  N9  and segi a)(resi 2 and name  C4  and segi a)  25.0  -120.0  40.0  2
assi (resi 3 and name  O4' and segi a)(resi 3 and name  C1' and segi a)  
     (resi 3 and name  N1  and segi a)(resi 3 and name  C2  and segi a)  25.0  -120.0  40.0  2
assi (resi 4 and name  O4' and segi a)(resi 4 and name  C1' and segi a)
     (resi 4 and name  N9  and segi a)(resi 4 and name  C4  and segi a)  25.0  -120.0  40.0  2
assi (resi 5 and name  O4' and segi a)(resi 5 and name  C1' and segi a)
     (resi 5 and name  CG  and segi a)(resi 5 and name  C4  and segi a)  25.0  -120.0  40.0  2
assi (resi 6 and name  O4' and segi a)(resi 6 and name  C1' and segi a)
     (resi 6 and name  N9  and segi a)(resi 6 and name  C4  and segi a)  25.0  -120.0  40.0  2
assi (resi 7 and name  O4' and segi a)(resi 7 and name  C1' and segi a)
     (resi 7 and name  N9  and segi a)(resi 7 and name  C4  and segi a)  25.0  -120.0  40.0  2
assi (resi 8 and name  O4' and segi a)(resi 8 and name  C1' and segi a)
     (resi 8 and name  N1  and segi a)(resi 8 and name  C2  and segi a)  25.0  -120.0  40.0  2
assi (resi 9 and name  O4' and segi a)(resi 9 and name  C1' and segi a)
     (resi 9 and name  N9  and segi a)(resi 9 and name  C4  and segi a)  25.0  -120.0  40.0  2

assi (resi 1 and name  O4' and segi b)(resi 1 and name  C1' and segi b)
     (resi 1 and name  N1  and segi b)(resi 1 and name  C2  and segi b)  25.0  -120.0  40.0  2
assi (resi 2 and name  O4' and segi b)(resi 2 and name  C1' and segi b)
     (resi 2 and name  N9  and segi b)(resi 2 and name  C4  and segi b)  25.0  -120.0  40.0  2
assi (resi 3 and name  O4' and segi b)(resi 3 and name  C1' and segi b)
     (resi 3 and name  N1  and segi b)(resi 3 and name  C2  and segi b)  25.0  -120.0  40.0  2
assi (resi 4 and name  O4' and segi b)(resi 4 and name  C1' and segi b)
     (resi 4 and name  N1  and segi b)(resi 4 and name  C2  and segi b)  25.0  -120.0  40.0  2
assi (resi 5 and name  O4' and segi b)(resi 5 and name  C1' and segi b)
     (resi 5 and name  N9  and segi b)(resi 5 and name  C4  and segi b)  25.0  -120.0  40.0  2
! assi (resi 6 and name  O4' and segi b)(resi 6 and name  C1' and segi b)
!      (resi 6 and name  N9  and segi b)(resi 6 and name  C4  and segi b)  25.0  -120.0  40.0  2
assi (resi 7 and name  O4' and segi b)(resi 7 and name  C1' and segi b)
     (resi 7 and name  N1  and segi b)(resi 7 and name  C2  and segi b)  25.0  -120.0  40.0  2
assi (resi 8 and name  O4' and segi b)(resi 8 and name  C1' and segi b)
     (resi 8 and name  N9  and segi b)(resi 8 and name  C4  and segi b)  25.0  -120.0  40.0  2
assi (resi 9 and name  O4' and segi b)(resi 9 and name  C1' and segi b)
     (resi 9 and name  N1  and segi b)(resi 9 and name  C2  and segi b)  25.0  -120.0  40.0  2
assi (resi 10 and name  O4' and segi b)(resi 10 and name  C1' and segi b)
     (resi 10 and name  N1  and segi b)(resi 10 and name  C2  and segi b)  25.0  -120.0  40.0  2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          H5*         G   1  12.043  15.461  28.794
    2   2H5*    G   1          H5**        G   1  13.269  14.626  27.818
    3    H4*    G   1           H4*        G   1  11.490  13.094  28.589
    4    H3*    G   1           H3*        G   1  11.437  13.579  25.566
    5    H2*    G   1           H2*        G   1   9.878  11.631  25.636
    6   2HO*    G   1          H2**        G   1  10.921  10.673  27.524
    7    H1*    G   1           H1*        G   1   8.326  12.991  27.286
    8    H8     G   1           H8         G   1  10.058  15.877  25.643
    9    H1     G   1           H1         G   1   5.600  13.187  21.914
   10   1H2     G   1          H21         G   1   4.992  11.232  22.756
   11   2H2     G   1          H22         G   1   5.616  10.594  24.269
   12    H5T    G   1           H5T        G   1  12.619  16.616  26.910
   13   1H5*    G   2          H5*         G   2  11.132   9.505  26.101
   14   2H5*    G   2          H5**        G   2  12.290   8.639  25.068
   15    H4*    G   2           H4*        G   2   9.971   7.853  24.695
   16    H3*    G   2           H3*        G   2  11.164   9.419  22.352
   17    H2*    G   2           H2*        G   2   9.195   8.598  21.148
   18   2HO*    G   2          H2**        G   2   8.270   6.962  21.681
   19    H1*    G   2           H1*        G   2   7.582   9.511  23.016
   20    H8     G   2           H8         G   2  10.384  12.010  23.187
   21    H1     G   2           H1         G   2   6.582  12.746  18.090
   22   1H2     G   2          H21         G   2   5.240  10.780  17.853
   23   2H2     G   2          H22         G   2   5.299   9.557  19.092
   24   1H5*    U   3          H5*         U   3   9.437   5.602  21.349
   25   2H5*    U   3          H5**        U   3  10.453   4.690  20.213
   26    H4*    U   3           H4*        U   3   8.118   4.837  19.415
   27    H3*    U   3           H3*        U   3  10.157   6.400  17.741
   28    H2*    U   3           H2*        U   3   8.315   6.740  16.201
   29   2HO*    U   3          H2**        U   3   6.867   5.431  16.092
   30    H1*    U   3           H1*        U   3   6.719   7.651  18.098
   31    H3     U   3           H3         U   3   8.325  11.428  16.042
   32    H5     U   3           H5         U   3  11.120  10.493  19.014
   33    H6     U   3           H6         U   3  10.011   8.419  19.361
   34   1H5*    G   4          H5*         G   4   7.566   3.762  15.635
   35   2H5*    G   4          H5**        G   4   8.327   2.810  14.342
   36    H4*    G   4           H4*        G   4   6.386   4.103  13.496
   37    H3*    G   4           H3*        G   4   9.133   4.959  12.493
   38    H2*    G   4           H2*        G   4   7.902   6.505  11.009
   39   2HO*    G   4          H2**        G   4   5.668   6.550  11.114
   40    H1*    G   4           H1*        G   4   6.599   7.565  13.025
   41    H8     G   4           H8         G   4   9.765   6.395  14.743
   42    H1     G   4           H1         G   4  10.321  12.153  12.024
   43   1H2     G   4          H21         G   4   8.479  12.523  10.579
   44   2H2     G   4          H22         G   4   7.217  11.328  10.484
   45    HN1  PSU   5           HN1      PSU   5  11.497   5.300  12.279
   46    HN3  PSU   5           HN3      PSU   5  12.941   8.997  11.270
   47    H6   PSU   5           H6       PSU   5   9.845   5.457  10.372
   48    H1*  PSU   5           H1*      PSU   5   9.156   8.543   8.742
   49    H2*  PSU   5           H2*      PSU   5  11.048   7.646   7.179
   50   *HO2  PSU   5          *HO2      PSU   5   8.282   7.840   6.603
   51    H3*  PSU   5           H3*      PSU   5  10.642   5.325   7.766
   52    H4*  PSU   5           H4*      PSU   5   7.737   5.838   6.983
   53   1H5*  PSU   5          1H5*      PSU   5   7.198   4.281   8.807
   54   2H5*  PSU   5          2H5*      PSU   5   8.271   3.503   7.622
   55   1H5*    A   6          H5*         A   6   9.976   7.871   4.481
   56   2H5*    A   6          H5**        A   6  11.032   7.737   3.059
   57    H4*    A   6           H4*        A   6  11.011  10.026   4.054
   58    H3*    A   6           H3*        A   6  13.695   8.577   4.260
   59    H2*    A   6           H2*        A   6  14.504  10.823   5.028
   60   2HO*    A   6          H2**        A   6  13.021  12.505   5.185
   61    H1*    A   6           H1*        A   6  12.806  10.672   7.056
   62    H8     A   6           H8         A   6  12.871   7.049   6.245
   63   1H6     A   6          H61         A   6  18.223   6.550   9.228
   64   2H6     A   6          H62         A   6  16.844   5.716   8.557
   65    H2     A   6           H2         A   6  17.324  10.962   8.723
   66   1H5*    G   7          H5*         G   7  14.360  12.529   3.106
   67   2H5*    G   7          H5**        G   7  15.392  12.572   1.660
   68    H4*    G   7           H4*        G   7  16.332  13.990   3.434
   69    H3*    G   7           H3*        G   7  17.916  11.429   2.901
   70    H2*    G   7           H2*        G   7  19.642  12.534   4.301
   71   2HO*    G   7          H2**        G   7  19.033  14.706   3.670
   72    H1*    G   7           H1*        G   7  17.905  12.666   6.266
   73    H8     G   7           H8         G   7  16.242   9.873   4.460
   74    H1     G   7           H1         G   7  21.451   7.947   7.605
   75   1H2     G   7          H21         G   7  22.750   9.861   8.201
   76   2H2     G   7          H22         G   7  22.105  11.456   7.932
   77   1H5*    U   8          H5*         U   8  20.757  14.406   2.978
   78   2H5*    U   8          H5**        U   8  21.732  14.312   1.495
   79    H4*    U   8           H4*        U   8  23.177  14.254   3.473
   80    H3*    U   8           H3*        U   8  22.993  11.572   2.014
   81    H2*    U   8           H2*        U   8  24.928  11.006   3.472
   82   2HO*    U   8          H2**        U   8  26.079  12.486   4.122
   83    H1*    U   8           H1*        U   8  23.508  11.636   5.611
   84    H3     U   8           H3         U   8  23.068   7.084   5.068
   85    H5     U   8           H5         U   8  19.857   8.798   2.989
   86    H6     U   8           H6         U   8  20.850  10.938   3.290
   87   1H5*    A   9          H5*         A   9  26.740  12.807   2.456
   88   2H5*    A   9          H5**        A   9  27.847  12.836   1.071
   89    H4*    A   9           H4*        A   9  28.742  11.731   3.134
   90    H3*    A   9           H3*        A   9  29.513  10.805   0.756
   91    H2*    A   9           H2*        A   9  27.287   9.725   0.482
   92   2HO*    A   9          H2**        A   9  28.090   7.351   1.072
   93    H1*    A   9           H1*        A   9  28.053   8.338   3.067
   94    H8     A   9           H8         A   9  24.699   9.881   1.803
   95   1H6     A   9          H61         A   9  22.512   4.099   2.305
   96   2H6     A   9          H62         A   9  22.090   5.759   1.943
   97    H2     A   9           H2         A   9  26.883   3.996   3.215
   98    H3T    A   9           H3T        A   9  29.614   9.210   3.104
   99   1H5*    U   1          H5*         U   1  24.584  -4.580   4.035
  100   2H5*    U   1          H5**        U   1  26.062  -5.436   3.540
  101    H4*    U   1           H4*        U   1  27.436  -3.891   4.834
  102    H3*    U   1           H3*        U   1  24.820  -2.452   5.525
  103    H2*    U   1           H2*        U   1  26.403  -0.583   5.899
  104   2HO*    U   1          H2**        U   1  28.263  -0.911   6.356
  105    H1*    U   1           H1*        U   1  27.455  -0.979   3.472
  106    H3     U   1           H3         U   1  24.702   2.656   3.168
  107    H5     U   1           H5         U   1  22.149  -0.637   2.744
  108    H6     U   1           H6         U   1  23.981  -2.078   3.302
  109    H5T    U   1           H5T        U   1  25.639  -4.990   6.216
  110   1H5*    A   2          H5*         A   2  28.163  -1.668   8.272
  111   2H5*    A   2          H5**        A   2  27.558  -1.359   9.914
  112    H4*    A   2           H4*        A   2  29.013   0.468   9.135
  113    H3*    A   2           H3*        A   2  26.073   1.283   9.341
  114    H2*    A   2           H2*        A   2  27.037   3.570   9.080
  115   2HO*    A   2          H2**        A   2  29.225   3.773   8.734
  116    H1*    A   2           H1*        A   2  28.068   2.831   6.779
  117    H8     A   2           H8         A   2  25.229   0.336   7.196
  118   1H6     A   2          H61         A   2  21.521   4.711   4.913
  119   2H6     A   2          H62         A   2  21.693   2.999   5.221
  120    H2     A   2           H2         A   2  25.522   6.582   5.669
  121   1H5*    C   3          H5*         C   3  28.418   4.081  11.369
  122   2H5*    C   3          H5**        C   3  27.703   4.486  12.946
  123    H4*    C   3           H4*        C   3  28.134   6.508  11.616
  124    H3*    C   3           H3*        C   3  25.152   5.890  11.928
  125    H2*    C   3           H2*        C   3  24.931   8.216  11.040
  126   2HO*    C   3          H2**        C   3  26.784   9.309  10.456
  127    H1*    C   3           H1*        C   3  26.350   7.502   8.911
  128   1H4     C   3          H41         C   3  20.594   5.293   7.410
  129   2H4     C   3          H42         C   3  21.114   3.669   7.785
  130    H5     C   3           H5         C   3  23.180   3.254   9.069
  131    H6     C   3           H6         C   3  25.213   4.252   9.897
  132   1H5*    U   4          H5*         U   4  26.177   9.690  12.659
  133   2H5*    U   4          H5**        U   4  25.957  10.215  14.338
  134    H4*    U   4           H4*        U   4  25.385  11.939  12.683
  135    H3*    U   4           H3*        U   4  23.937  11.648  14.906
  136    H2*    U   4           H2*        U   4  22.612   9.885  13.862
  137   2HO*    U   4          H2**        U   4  21.073  12.242  13.705
  138    H1*    U   4           H1*        U   4  22.086  11.867  11.629
  139    H3     U   4           H3         U   4  19.279   8.864   9.590
  140    H5     U   4           H5         U   4  22.145   6.424  11.456
  141    H6     U   4           H6         U   4  23.189   8.395  12.309
  142   1H5*    A   5          H5*         A   5  22.036  14.692  11.506
  143   2H5*    A   5          H5**        A   5  21.390  16.017  12.497
  144    H4*    A   5           H4*        A   5  19.981  15.635  10.572
  145    H3*    A   5           H3*        A   5  18.586  14.602  13.093
  146    H2*    A   5           H2*        A   5  16.643  14.712  11.554
  147   2HO*    A   5          H2**        A   5  17.278  16.551  10.452
  148    H1*    A   5           H1*        A   5  17.991  13.234   9.759
  149    H8     A   5           H8         A   5  19.323  12.098  13.126
  150   1H6     A   5          H61         A   5  15.826   8.933  14.287
  151   2H6     A   5          H62         A   5  14.350   8.435  13.492
  152    H2     A   5           H2         A   5  13.711  11.206  10.040
  153   1H5*    A   6          H5*         A   6  17.952  18.973  10.714
  154   2H5*    A   6          H5**        A   6  17.244  19.884  12.064
  155    H4*    A   6           H4*        A   6  16.423  20.649   9.894
  156    H3*    A   6           H3*        A   6  14.666  20.506  11.916
  157    H2*    A   6           H2*        A   6  14.544  18.085  11.560
  158   2HO*    A   6          H2**        A   6  12.204  19.316  10.645
  159    H1*    A   6           H1*        A   6  13.676  18.828   8.744
  160    H8     A   6           H8         A   6  15.226  16.113  11.021
  161   1H6     A   6          H61         A   6  14.523  12.290   8.153
  162   2H6     A   6          H62         A   6  13.773  12.116   6.563
  163    H2     A   6           H2         A   6  12.820  16.173   5.056
  164   1H5*    C   7          H5*         C   7   9.626  21.181  10.476
  165   2H5*    C   7          H5**        C   7  10.551  19.992  11.415
  166    H4*    C   7           H4*        C   7   9.327  19.550   8.675
  167    H3*    C   7           H3*        C   7   8.435  18.420  11.412
  168    H2*    C   7           H2*        C   7   7.591  16.623  10.155
  169   2HO*    C   7          H2**        C   7   8.463  18.007   7.840
  170    H1*    C   7           H1*        C   7   9.873  16.232   8.870
  171   1H4     C   7          H41         C   7  11.535  13.044  14.090
  172   2H4     C   7          H42         C   7  11.768  14.523  14.994
  173    H5     C   7           H5         C   7  11.346  16.744  14.027
  174    H6     C   7           H6         C   7  10.547  17.917  12.087
  175   1H5*    A   8          H5*         A   8   4.672  19.392   9.634
  176   2H5*    A   8          H5**        A   8   3.390  19.663  10.833
  177    H4*    A   8           H4*        A   8   3.449  17.325   9.899
  178    H3*    A   8           H3*        A   8   4.099  17.561  12.885
  179    H2*    A   8           H2*        A   8   3.975  15.094  12.799
  180   2HO*    A   8          H2**        A   8   2.783  14.258  11.512
  181    H1*    A   8           H1*        A   8   5.770  15.068  10.762
  182    H8     A   8           H8         A   8   6.793  18.023  12.737
  183   1H6     A   8          H61         A   8   9.724  14.029  16.475
  184   2H6     A   8          H62         A   8   9.471  15.724  16.118
  185    H2     A   8           H2         A   8   7.062  11.677  13.764
  186   1H5*    C   9          H5*         C   9   0.864  14.756  11.990
  187   2H5*    C   9          H5**        C   9  -0.425  14.839  13.213
  188    H4*    C   9           H4*        C   9   0.444  12.548  13.021
  189    H3*    C   9           H3*        C   9   1.171  13.970  15.632
  190    H2*    C   9           H2*        C   9   1.998  11.732  16.331
  191   2HO*    C   9          H2**        C   9   1.195  10.890  13.758
  192    H1*    C   9           H1*        C   9   3.569  11.622  14.215
  193   1H4     C   9          H41         C   9   7.217  15.398  17.783
  194   2H4     C   9          H42         C   9   6.414  16.820  17.150
  195    H5     C   9           H5         C   9   4.437  16.682  15.747
  196    H6     C   9           H6         C   9   2.916  15.191  14.610
  197   1H5*    C  10          H5*         C  10  -0.181  10.355  16.290
  198   2H5*    C  10          H5**        C  10  -1.585  10.114  17.346
  199    H4*    C  10           H4*        C  10   0.359   8.624  17.837
  200    H3*    C  10           H3*        C  10  -1.163   9.454  19.859
  201    H2*    C  10           H2*        C  10  -0.065  11.701  19.691
  202   2HO*    C  10          H2**        C  10   0.936  11.940  21.730
  203    H1*    C  10           H1*        C  10   2.419  10.025  20.169
  204   1H4     C  10          H41         C  10   5.517  15.551  20.138
  205   2H4     C  10          H42         C  10   4.530  16.211  18.847
  206    H5     C  10           H5         C  10   2.640  14.973  17.904
  207    H6     C  10           H6         C  10   1.402  12.884  17.983
  208    H3T    C  10           H3T        C  10   0.290   8.499  21.303
  Start of MODEL    2
    1   1H5*    G   1          H5*         G   1  12.449  14.449  27.792
    2   2H5*    G   1          H5**        G   1  12.285  14.215  29.548
    3    H4*    G   1           H4*        G   1  11.251  12.035  29.197
    4    H3*    G   1           H3*        G   1  11.537  12.606  26.200
    5    H2*    G   1           H2*        G   1   9.672  10.947  26.102
    6   2HO*    G   1          H2**        G   1  10.392   9.772  28.008
    7    H1*    G   1           H1*        G   1   8.268  12.519  27.704
    8    H8     G   1           H8         G   1  10.525  15.104  26.203
    9    H1     G   1           H1         G   1   5.942  13.148  22.179
   10   1H2     G   1          H21         G   1   4.994  11.303  22.957
   11   2H2     G   1          H22         G   1   5.415  10.577  24.501
   12    H5T    G   1           H5T        G   1  13.478  12.229  28.077
   13   1H5*    G   2          H5*         G   2  10.498   8.701  26.489
   14   2H5*    G   2          H5**        G   2  11.564   7.658  25.524
   15    H4*    G   2           H4*        G   2   9.176   7.339  24.930
   16    H3*    G   2           H3*        G   2  10.829   8.706  22.747
   17    H2*    G   2           H2*        G   2   8.858   8.242  21.364
   18   2HO*    G   2          H2**        G   2   7.619   6.783  21.780
   19    H1*    G   2           H1*        G   2   7.263   9.357  23.159
   20    H8     G   2           H8         G   2  10.388  11.425  23.504
   21    H1     G   2           H1         G   2   6.995  12.717  18.230
   22   1H2     G   2          H21         G   2   5.392  10.967  17.911
   23   2H2     G   2          H22         G   2   5.227   9.738  19.133
   24   1H5*    U   3          H5*         U   3   8.483   5.254  21.511
   25   2H5*    U   3          H5**        U   3   9.460   4.212  20.456
   26    H4*    U   3           H4*        U   3   7.283   4.689  19.411
   27    H3*    U   3           H3*        U   3   9.676   6.039  18.078
   28    H2*    U   3           H2*        U   3   8.086   6.540  16.286
   29   2HO*    U   3          H2**        U   3   6.619   5.311  15.956
   30    H1*    U   3           H1*        U   3   6.369   7.617  18.003
   31    H3     U   3           H3         U   3   8.572  11.212  16.167
   32    H5     U   3           H5         U   3  11.030   9.896  19.290
   33    H6     U   3           H6         U   3   9.638   7.981  19.539
   34   1H5*    G   4          H5*         G   4   7.369   3.568  15.422
   35   2H5*    G   4          H5**        G   4   8.398   2.583  14.354
   36    H4*    G   4           H4*        G   4   6.803   3.923  13.039
   37    H3*    G   4           H3*        G   4   9.745   4.739  12.812
   38    H2*    G   4           H2*        G   4   8.980   6.342  11.137
   39   2HO*    G   4          H2**        G   4   7.446   4.915  10.273
   40    H1*    G   4           H1*        G   4   7.040   7.302  12.660
   41    H8     G   4           H8         G   4   9.761   6.326  15.131
   42    H1     G   4           H1         G   4  10.449  12.190  12.684
   43   1H2     G   4          H21         G   4   8.960  12.439  10.841
   44   2H2     G   4          H22         G   4   7.858  11.154  10.436
   45    HN1  PSU   5           HN1      PSU   5  13.040   5.351  10.832
   46    HN3  PSU   5           HN3      PSU   5  13.780   8.975   9.067
   47    H6   PSU   5           H6       PSU   5  10.679   5.419   9.921
   48    H1*  PSU   5           H1*      PSU   5   9.170   8.357   8.658
   49    H2*  PSU   5           H2*      PSU   5  10.429   7.732   6.436
   50   *HO2  PSU   5          *HO2      PSU   5   8.349   7.443   5.406
   51    H3*  PSU   5           H3*      PSU   5  10.643   5.402   7.192
   52    H4*  PSU   5           H4*      PSU   5   7.582   5.524   7.269
   53   1H5*  PSU   5          1H5*      PSU   5   7.670   3.863   9.015
   54   2H5*  PSU   5          2H5*      PSU   5   8.615   3.241   7.650
   55   1H5*    A   6          H5*         A   6   9.343   7.887   4.028
   56   2H5*    A   6          H5**        A   6  10.249   7.589   2.534
   57    H4*    A   6           H4*        A   6  10.452   9.941   3.305
   58    H3*    A   6           H3*        A   6  13.042   8.333   3.455
   59    H2*    A   6           H2*        A   6  14.063  10.552   3.910
   60   2HO*    A   6          H2**        A   6  12.580  12.331   4.186
   61    H1*    A   6           H1*        A   6  12.528  10.781   6.051
   62    H8     A   6           H8         A   6  12.441   7.061   5.455
   63   1H6     A   6          H61         A   6  17.717   6.632   8.603
   64   2H6     A   6          H62         A   6  16.390   5.775   7.861
   65    H2     A   6           H2         A   6  16.901  11.018   7.831
   66   1H5*    G   7          H5*         G   7  13.889  11.850   1.467
   67   2H5*    G   7          H5**        G   7  14.956  11.595   0.067
   68    H4*    G   7           H4*        G   7  15.911  13.210   1.660
   69    H3*    G   7           H3*        G   7  17.442  10.559   1.584
   70    H2*    G   7           H2*        G   7  19.099  11.856   2.906
   71   2HO*    G   7          H2**        G   7  17.243  13.977   2.784
   72    H1*    G   7           H1*        G   7  17.279  12.309   4.728
   73    H8     G   7           H8         G   7  15.841   9.217   3.113
   74    H1     G   7           H1         G   7  20.626   7.965   7.167
   75   1H2     G   7          H21         G   7  21.725  10.015   7.708
   76   2H2     G   7          H22         G   7  21.081  11.522   7.112
   77   1H5*    U   8          H5*         U   8  20.038  13.748   1.170
   78   2H5*    U   8          H5**        U   8  21.277  13.474  -0.075
   79    H4*    U   8           H4*        U   8  22.300  14.030   2.091
   80    H3*    U   8           H3*        U   8  22.725  11.117   1.259
   81    H2*    U   8           H2*        U   8  24.371  11.179   3.154
   82   2HO*    U   8          H2**        U   8  24.509  13.036   4.367
   83    H1*    U   8           H1*        U   8  22.423  11.875   4.780
   84    H3     U   8           H3         U   8  22.514   7.272   4.985
   85    H5     U   8           H5         U   8  19.689   8.231   2.053
   86    H6     U   8           H6         U   8  20.403  10.484   2.144
   87   1H5*    A   9          H5*         A   9  26.088  12.836   2.246
   88   2H5*    A   9          H5**        A   9  27.478  12.832   1.144
   89    H4*    A   9           H4*        A   9  27.969  12.153   3.511
   90    H3*    A   9           H3*        A   9  29.382  11.039   1.543
   91    H2*    A   9           H2*        A   9  27.413   9.626   0.963
   92   2HO*    A   9          H2**        A   9  28.283   7.484   2.070
   93    H1*    A   9           H1*        A   9  27.684   8.728   3.845
   94    H8     A   9           H8         A   9  24.461   9.626   1.877
   95   1H6     A   9          H61         A   9  23.117   3.593   2.482
   96   2H6     A   9          H62         A   9  22.513   5.129   1.893
   97    H2     A   9           H2         A   9  27.246   4.239   4.018
   98    H3T    A   9           H3T        A   9  29.086   9.797   4.081
   99   1H5*    U   1          H5*         U   1  26.335  -4.381   5.190
  100   2H5*    U   1          H5**        U   1  27.848  -5.178   4.704
  101    H4*    U   1           H4*        U   1  29.160  -3.373   5.689
  102    H3*    U   1           H3*        U   1  26.479  -2.059   6.375
  103    H2*    U   1           H2*        U   1  27.929  -0.029   6.403
  104   2HO*    U   1          H2**        U   1  29.815  -1.174   7.180
  105    H1*    U   1           H1*        U   1  28.771  -0.644   3.938
  106    H3     U   1           H3         U   1  25.529   2.543   3.447
  107    H5     U   1           H5         U   1  23.460  -1.092   3.529
  108    H6     U   1           H6         U   1  25.495  -2.192   4.135
  109    H5T    U   1           H5T        U   1  27.560  -4.404   7.322
  110   1H5*    A   2          H5*         A   2  29.402  -0.054   8.693
  111   2H5*    A   2          H5**        A   2  28.773   0.105  10.348
  112    H4*    A   2           H4*        A   2  29.374   2.307   9.436
  113    H3*    A   2           H3*        A   2  26.352   1.894   9.659
  114    H2*    A   2           H2*        A   2  26.294   4.316   9.306
  115   2HO*    A   2          H2**        A   2  27.796   5.458   9.817
  116    H1*    A   2           H1*        A   2  27.859   4.103   7.164
  117    H8     A   2           H8         A   2  25.766   0.941   7.144
  118   1H6     A   2          H61         A   2  21.320   4.515   4.665
  119   2H6     A   2          H62         A   2  21.775   2.853   4.999
  120    H2     A   2           H2         A   2  24.606   7.173   6.023
  121   1H5*    C   3          H5*         C   3  27.892   5.415  11.687
  122   2H5*    C   3          H5**        C   3  27.073   5.631  13.249
  123    H4*    C   3           H4*        C   3  27.007   7.707  11.921
  124    H3*    C   3           H3*        C   3  24.289   6.326  12.186
  125    H2*    C   3           H2*        C   3  23.441   8.453  11.288
  126   2HO*    C   3          H2**        C   3  24.456  10.124  11.653
  127    H1*    C   3           H1*        C   3  25.190   8.334   9.253
  128   1H4     C   3          H41         C   3  20.125   5.205   7.086
  129   2H4     C   3          H42         C   3  20.820   3.675   7.565
  130    H5     C   3           H5         C   3  22.801   3.572   9.059
  131    H6     C   3           H6         C   3  24.543   4.876  10.103
  132   1H5*    U   4          H5*         U   4  24.806  10.302  13.329
  133   2H5*    U   4          H5**        U   4  24.328  10.714  14.984
  134    H4*    U   4           H4*        U   4  23.762  12.454  13.320
  135    H3*    U   4           H3*        U   4  22.154  11.929  15.373
  136    H2*    U   4           H2*        U   4  21.182  10.045  14.166
  137   2HO*    U   4          H2**        U   4  19.162  11.935  13.697
  138    H1*    U   4           H1*        U   4  20.613  12.080  11.987
  139    H3     U   4           H3         U   4  18.605   9.047   9.199
  140    H5     U   4           H5         U   4  21.060   6.666  11.613
  141    H6     U   4           H6         U   4  21.788   8.641  12.740
  142   1H5*    A   5          H5*         A   5  18.467  15.732  14.768
  143   2H5*    A   5          H5**        A   5  17.372  14.341  14.834
  144    H4*    A   5           H4*        A   5  19.485  14.805  12.701
  145    H3*    A   5           H3*        A   5  17.355  16.394  12.585
  146    H2*    A   5           H2*        A   5  15.907  14.533  13.277
  147   2HO*    A   5          H2**        A   5  14.815  14.006  11.126
  148    H1*    A   5           H1*        A   5  17.066  13.122  10.826
  149    H8     A   5           H8         A   5  17.190  11.207  14.008
  150   1H6     A   5          H61         A   5  13.294   8.336  13.336
  151   2H6     A   5          H62         A   5  11.916   8.444  12.260
  152    H2     A   5           H2         A   5  12.615  11.886   9.514
  153   1H5*    A   6          H5*         A   6  19.351  19.028   9.208
  154   2H5*    A   6          H5**        A   6  18.920  19.981  10.638
  155    H4*    A   6           H4*        A   6  17.405  20.432   8.820
  156    H3*    A   6           H3*        A   6  16.407  20.038  11.306
  157    H2*    A   6           H2*        A   6  16.184  17.603  10.739
  158   2HO*    A   6          H2**        A   6  13.686  18.880  10.549
  159    H1*    A   6           H1*        A   6  14.731  18.775   8.342
  160    H8     A   6           H8         A   6  16.802  15.700   9.364
  161   1H6     A   6          H61         A   6  13.226  12.525   5.358
  162   2H6     A   6          H62         A   6  14.424  12.309   6.585
  163    H2     A   6           H2         A   6  11.888  16.770   5.377
  164   1H5*    C   7          H5*         C   7  11.058  20.881  10.845
  165   2H5*    C   7          H5**        C   7  11.973  19.597  11.660
  166    H4*    C   7           H4*        C   7  10.487  19.355   9.029
  167    H3*    C   7           H3*        C   7   9.750  18.267  11.828
  168    H2*    C   7           H2*        C   7   8.695  16.520  10.679
  169   2HO*    C   7          H2**        C   7   7.821  17.579   9.030
  170    H1*    C   7           H1*        C   7  10.812  15.920   9.240
  171   1H4     C   7          H41         C   7  12.281  12.957  14.684
  172   2H4     C   7          H42         C   7  13.249  14.331  15.171
  173    H5     C   7           H5         C   7  13.348  16.386  13.875
  174    H6     C   7           H6         C   7  12.516  17.540  11.938
  175   1H5*    A   8          H5*         A   8   6.036  19.903  10.120
  176   2H5*    A   8          H5**        A   8   4.797  20.277  11.336
  177    H4*    A   8           H4*        A   8   4.564  17.993  10.305
  178    H3*    A   8           H3*        A   8   5.231  18.036  13.295
  179    H2*    A   8           H2*        A   8   4.798  15.614  13.130
  180   2HO*    A   8          H2**        A   8   3.479  15.000  11.830
  181    H1*    A   8           H1*        A   8   6.564  15.426  11.074
  182    H8     A   8           H8         A   8   8.041  18.108  13.158
  183   1H6     A   8          H61         A   8  10.354  13.553  16.672
  184   2H6     A   8          H62         A   8  10.399  15.274  16.346
  185    H2     A   8           H2         A   8   7.332  11.754  13.916
  186   1H5*    C   9          H5*         C   9   1.597  15.770  12.297
  187   2H5*    C   9          H5**        C   9   0.333  15.999  13.528
  188    H4*    C   9           H4*        C   9   0.846  13.614  13.247
  189    H3*    C   9           H3*        C   9   1.782  14.810  15.904
  190    H2*    C   9           H2*        C   9   2.262  12.451  16.515
  191   2HO*    C   9          H2**        C   9   1.321  11.839  13.923
  192    H1*    C   9           H1*        C   9   3.790  12.176  14.377
  193   1H4     C   9          H41         C   9   8.011  15.232  18.009
  194   2H4     C   9          H42         C   9   7.407  16.779  17.456
  195    H5     C   9           H5         C   9   5.396  16.990  16.118
  196    H6     C   9           H6         C   9   3.659  15.786  14.950
  197   1H5*    C  10          H5*         C  10  -0.132  11.439  16.430
  198   2H5*    C  10          H5**        C  10  -1.564  11.389  17.475
  199    H4*    C  10           H4*        C  10   0.113   9.590  17.914
  200    H3*    C  10           H3*        C  10  -1.269  10.580  19.962
  201    H2*    C  10           H2*        C  10   0.165  12.633  19.874
  202   2HO*    C  10          H2**        C  10  -0.297  11.965  22.041
  203    H1*    C  10           H1*        C  10   2.352  10.573  20.297
  204   1H4     C  10          H41         C  10   6.323  15.505  20.426
  205   2H4     C  10          H42         C  10   5.471  16.353  19.149
  206    H5     C  10           H5         C  10   3.385  15.491  18.198
  207    H6     C  10           H6         C  10   1.816  13.638  18.216
  208    H3T    C  10           H3T        C  10   0.004   9.359  21.374
  Start of MODEL    3
    1   1H5*    G   1          H5*         G   1  12.642  15.187  27.216
    2   2H5*    G   1          H5**        G   1  12.273  14.812  28.915
    3    H4*    G   1           H4*        G   1  11.174  12.736  28.260
    4    H3*    G   1           H3*        G   1  11.793  13.551  25.368
    5    H2*    G   1           H2*        G   1   9.913  12.025  24.927
    6   2HO*    G   1          H2**        G   1   9.410  10.600  26.156
    7    H1*    G   1           H1*        G   1   8.428  13.279  26.796
    8    H8     G   1           H8         G   1  10.492  15.996  25.164
    9    H1     G   1           H1         G   1   5.611  13.934  21.558
   10   1H2     G   1          H21         G   1   4.759  12.082  22.431
   11   2H2     G   1          H22         G   1   5.359  11.356  23.911
   12    H5T    G   1           H5T        G   1  13.538  12.904  27.401
   13   1H5*    G   2          H5*         G   2  10.806   9.429  25.955
   14   2H5*    G   2          H5**        G   2  11.742   8.342  24.910
   15    H4*    G   2           H4*        G   2   9.305   7.945  24.691
   16    H3*    G   2           H3*        G   2  10.619   9.172  22.217
   17    H2*    G   2           H2*        G   2   8.480   8.672  21.140
   18   2HO*    G   2          H2**        G   2   7.272   7.276  21.816
   19    H1*    G   2           H1*        G   2   7.151   9.948  23.029
   20    H8     G   2           H8         G   2  10.377  11.896  22.939
   21    H1     G   2           H1         G   2   6.496  13.155  18.013
   22   1H2     G   2          H21         G   2   4.808  11.464  17.918
   23   2H2     G   2          H22         G   2   4.704  10.289  19.198
   24   1H5*    U   3          H5*         U   3   8.101   5.707  21.672
   25   2H5*    U   3          H5**        U   3   8.858   4.513  20.598
   26    H4*    U   3           H4*        U   3   6.546   4.967  19.894
   27    H3*    U   3           H3*        U   3   8.700   6.036  18.008
   28    H2*    U   3           H2*        U   3   6.793   6.368  16.457
   29   2HO*    U   3          H2**        U   3   4.740   5.858  17.160
   30    H1*    U   3           H1*        U   3   5.537   7.818  18.288
   31    H3     U   3           H3         U   3   7.646  11.204  16.011
   32    H5     U   3           H5         U   3  10.474   9.809  18.754
   33    H6     U   3           H6         U   3   9.026   7.997  19.288
   34   1H5*    G   4          H5*         G   4   6.531   3.129  15.740
   35   2H5*    G   4          H5**        G   4   7.611   2.206  14.669
   36    H4*    G   4           H4*        G   4   5.956   3.484  13.370
   37    H3*    G   4           H3*        G   4   8.827   4.522  13.132
   38    H2*    G   4           H2*        G   4   7.875   5.935  11.342
   39   2HO*    G   4          H2**        G   4   5.688   5.793  10.900
   40    H1*    G   4           H1*        G   4   6.063   6.911  13.013
   41    H8     G   4           H8         G   4   8.776   5.893  15.440
   42    H1     G   4           H1         G   4   9.858  11.550  12.671
   43   1H2     G   4          H21         G   4   8.367  11.800  10.821
   44   2H2     G   4          H22         G   4   7.132  10.602  10.558
   45    HN1  PSU   5           HN1      PSU   5  10.927   6.986  13.297
   46    HN3  PSU   5           HN3      PSU   5  13.184   4.558  10.859
   47    H6   PSU   5           H6       PSU   5   9.492   7.552  11.277
   48    H1*  PSU   5           H1*      PSU   5   9.419   7.795   9.087
   49    H2*  PSU   5           H2*      PSU   5  10.966   6.900   7.350
   50   *HO2  PSU   5          *HO2      PSU   5   9.723   8.132   6.417
   51    H3*  PSU   5           H3*      PSU   5  10.461   4.582   7.758
   52    H4*  PSU   5           H4*      PSU   5   7.492   5.102   7.360
   53   1H5*  PSU   5          1H5*      PSU   5   7.238   3.701   9.333
   54   2H5*  PSU   5          2H5*      PSU   5   8.278   2.841   8.172
   55   1H5*    A   6          H5*         A   6   9.765   7.401   4.779
   56   2H5*    A   6          H5**        A   6  10.790   7.282   3.340
   57    H4*    A   6           H4*        A   6  10.827   9.535   4.350
   58    H3*    A   6           H3*        A   6  13.513   8.088   4.563
   59    H2*    A   6           H2*        A   6  14.276  10.399   5.180
   60   2HO*    A   6          H2**        A   6  12.642  12.015   5.333
   61    H1*    A   6           H1*        A   6  12.617  10.345   7.226
   62    H8     A   6           H8         A   6  12.737   6.665   6.896
   63   1H6     A   6          H61         A   6  18.233   6.617   9.637
   64   2H6     A   6          H62         A   6  16.829   5.686   9.179
   65    H2     A   6           H2         A   6  17.297  10.886   8.597
   66   1H5*    G   7          H5*         G   7  13.911  12.045   3.332
   67   2H5*    G   7          H5**        G   7  14.884  12.173   1.850
   68    H4*    G   7           H4*        G   7  15.749  13.676   3.609
   69    H3*    G   7           H3*        G   7  17.534  11.281   2.966
   70    H2*    G   7           H2*        G   7  19.211  12.485   4.331
   71   2HO*    G   7          H2**        G   7  18.605  14.394   5.330
   72    H1*    G   7           H1*        G   7  17.545  12.451   6.364
   73    H8     G   7           H8         G   7  16.048   9.553   4.578
   74    H1     G   7           H1         G   7  21.493   8.018   7.525
   75   1H2     G   7          H21         G   7  22.654  10.025   8.103
   76   2H2     G   7          H22         G   7  21.876  11.568   7.880
   77   1H5*    U   8          H5*         U   8  20.184  14.440   3.091
   78   2H5*    U   8          H5**        U   8  21.028  14.479   1.525
   79    H4*    U   8           H4*        U   8  22.667  14.394   3.343
   80    H3*    U   8           H3*        U   8  22.404  11.783   1.777
   81    H2*    U   8           H2*        U   8  24.463  11.171   2.954
   82   2HO*    U   8          H2**        U   8  25.710  12.614   3.379
   83    H1*    U   8           H1*        U   8  23.351  11.752   5.301
   84    H3     U   8           H3         U   8  23.092   7.200   4.772
   85    H5     U   8           H5         U   8  19.613   8.720   3.004
   86    H6     U   8           H6         U   8  20.498  10.919   3.241
   87   1H5*    A   9          H5*         A   9  26.433  13.408   1.387
   88   2H5*    A   9          H5**        A   9  27.108  13.065  -0.223
   89    H4*    A   9           H4*        A   9  28.544  12.179   1.555
   90    H3*    A   9           H3*        A   9  27.125   9.988  -0.028
   91    H2*    A   9           H2*        A   9  28.743   8.518   1.130
   92   2HO*    A   9          H2**        A   9  30.417  10.168   1.269
   93    H1*    A   9           H1*        A   9  27.804   9.388   3.448
   94    H8     A   9           H8         A   9  24.850  10.135   1.244
   95   1H6     A   9          H61         A   9  23.205   4.208   2.000
   96   2H6     A   9          H62         A   9  22.681   5.778   1.431
   97    H2     A   9           H2         A   9  27.360   4.695   3.585
   98    H3T    A   9           H3T        A   9  29.657  11.209  -0.299
   99   1H5*    U   1          H5*         U   1  27.342  -4.967   4.717
  100   2H5*    U   1          H5**        U   1  26.253  -4.157   3.576
  101    H4*    U   1           H4*        U   1  29.019  -3.169   4.357
  102    H3*    U   1           H3*        U   1  26.260  -2.083   5.128
  103    H2*    U   1           H2*        U   1  27.564  -0.024   5.497
  104   2HO*    U   1          H2**        U   1  29.459  -0.063   5.907
  105    H1*    U   1           H1*        U   1  28.652  -0.245   3.054
  106    H3     U   1           H3         U   1  25.470   3.028   2.914
  107    H5     U   1           H5         U   1  23.354  -0.537   2.314
  108    H6     U   1           H6         U   1  25.354  -1.759   2.828
  109    H5T    U   1           H5T        U   1  27.458  -5.817   2.600
  110   1H5*    A   2          H5*         A   2  29.483  -0.718   7.756
  111   2H5*    A   2          H5**        A   2  28.879  -0.576   9.421
  112    H4*    A   2           H4*        A   2  29.886   1.545   8.652
  113    H3*    A   2           H3*        A   2  26.846   1.653   8.965
  114    H2*    A   2           H2*        A   2  27.175   4.070   8.703
  115   2HO*    A   2          H2**        A   2  28.877   4.921   9.147
  116    H1*    A   2           H1*        A   2  28.457   3.688   6.427
  117    H8     A   2           H8         A   2  26.080   0.727   6.601
  118   1H6     A   2          H61         A   2  21.712   4.686   4.672
  119   2H6     A   2          H62         A   2  22.113   2.988   4.837
  120    H2     A   2           H2         A   2  25.351   7.054   5.666
  121   1H5*    C   3          H5*         C   3  28.874   4.849  11.056
  122   2H5*    C   3          H5**        C   3  28.149   5.097  12.659
  123    H4*    C   3           H4*        C   3  28.287   7.215  11.390
  124    H3*    C   3           H3*        C   3  25.434   6.182  11.787
  125    H2*    C   3           H2*        C   3  24.799   8.407  10.935
  126   2HO*    C   3          H2**        C   3  26.053   9.946  11.043
  127    H1*    C   3           H1*        C   3  26.310   8.052   8.783
  128   1H4     C   3          H41         C   3  20.850   5.254   7.227
  129   2H4     C   3          H42         C   3  21.524   3.677   7.569
  130    H5     C   3           H5         C   3  23.629   3.452   8.856
  131    H6     C   3           H6         C   3  25.553   4.648   9.706
  132   1H5*    U   4          H5*         U   4  26.090  10.156  12.697
  133   2H5*    U   4          H5**        U   4  25.779  10.580  14.385
  134    H4*    U   4           H4*        U   4  25.019  12.299  12.775
  135    H3*    U   4           H3*        U   4  23.657  11.762  14.995
  136    H2*    U   4           H2*        U   4  22.608   9.846  13.899
  137   2HO*    U   4          H2**        U   4  20.489  11.667  13.679
  138    H1*    U   4           H1*        U   4  21.739  11.882  11.824
  139    H3     U   4           H3         U   4  19.235   8.789   9.590
  140    H5     U   4           H5         U   4  22.321   6.500  11.306
  141    H6     U   4           H6         U   4  23.184   8.511  12.282
  142   1H5*    A   5          H5*         A   5  19.621  15.231  15.066
  143   2H5*    A   5          H5**        A   5  18.750  13.691  15.152
  144    H4*    A   5           H4*        A   5  20.366  14.670  12.776
  145    H3*    A   5           H3*        A   5  18.030  15.855  13.226
  146    H2*    A   5           H2*        A   5  17.044  13.730  13.868
  147   2HO*    A   5          H2**        A   5  15.708  13.197  11.835
  148    H1*    A   5           H1*        A   5  18.035  12.899  11.071
  149    H8     A   5           H8         A   5  18.947  10.480  13.699
  150   1H6     A   5          H61         A   5  14.212   6.966  11.773
  151   2H6     A   5          H62         A   5  15.657   7.012  12.757
  152    H2     A   5           H2         A   5  13.735  10.992   9.919
  153   1H5*    A   6          H5*         A   6  18.109  18.906  12.298
  154   2H5*    A   6          H5**        A   6  17.321  17.345  12.079
  155    H4*    A   6           H4*        A   6  16.781  19.896  10.562
  156    H3*    A   6           H3*        A   6  15.488  19.347  12.810
  157    H2*    A   6           H2*        A   6  15.444  16.927  12.100
  158   2HO*    A   6          H2**        A   6  13.453  16.369  12.290
  159    H1*    A   6           H1*        A   6  13.901  18.052   9.767
  160    H8     A   6           H8         A   6  16.246  15.238  10.768
  161   1H6     A   6          H61         A   6  14.688  11.848   7.538
  162   2H6     A   6          H62         A   6  13.510  11.968   6.268
  163    H2     A   6           H2         A   6  11.829  16.063   6.193
  164   1H5*    C   7          H5*         C   7  12.319  19.357   9.184
  165   2H5*    C   7          H5**        C   7  10.895  20.265   9.722
  166    H4*    C   7           H4*        C   7  10.276  18.295   8.417
  167    H3*    C   7           H3*        C   7   9.390  17.913  11.366
  168    H2*    C   7           H2*        C   7   8.208  16.095  10.442
  169   2HO*    C   7          H2**        C   7   7.469  16.970   8.644
  170    H1*    C   7           H1*        C   7  10.327  15.178   9.102
  171   1H4     C   7          H41         C   7  11.409  12.321  14.683
  172   2H4     C   7          H42         C   7  11.948  13.823  15.400
  173    H5     C   7           H5         C   7  11.903  15.933  14.208
  174    H6     C   7           H6         C   7  11.321  17.029  12.136
  175   1H5*    A   8          H5*         A   8   5.847  19.655   9.332
  176   2H5*    A   8          H5**        A   8   4.629  20.226  10.491
  177    H4*    A   8           H4*        A   8   4.235  17.888   9.623
  178    H3*    A   8           H3*        A   8   4.812  18.109  12.625
  179    H2*    A   8           H2*        A   8   4.199  15.716  12.621
  180   2HO*    A   8          H2**        A   8   2.915  15.073  11.307
  181    H1*    A   8           H1*        A   8   6.022  15.250  10.649
  182    H8     A   8           H8         A   8   7.529  17.992  12.678
  183   1H6     A   8          H61         A   8   9.537  13.483  16.422
  184   2H6     A   8          H62         A   8   9.572  15.209  16.120
  185    H2     A   8           H2         A   8   6.557  11.694  13.617
  186   1H5*    C   9          H5*         C   9   1.125  15.877  11.812
  187   2H5*    C   9          H5**        C   9  -0.126  16.307  13.002
  188    H4*    C   9           H4*        C   9   0.306  13.880  13.044
  189    H3*    C   9           H3*        C   9   1.269  15.434  15.494
  190    H2*    C   9           H2*        C   9   1.771  13.244  16.459
  191   2HO*    C   9          H2**        C   9   0.703  11.702  15.933
  192    H1*    C   9           H1*        C   9   3.187  12.516  14.349
  193   1H4     C   9          H41         C   9   7.545  15.754  17.624
  194   2H4     C   9          H42         C   9   7.027  17.265  16.904
  195    H5     C   9           H5         C   9   5.043  17.420  15.502
  196    H6     C   9           H6         C   9   3.252  16.173  14.460
  197   1H5*    C  10          H5*         C  10  -0.928  12.153  16.343
  198   2H5*    C  10          H5**        C  10  -2.316  12.274  17.435
  199    H4*    C  10           H4*        C  10  -0.746  10.391  17.936
  200    H3*    C  10           H3*        C  10  -2.005  11.584  19.952
  201    H2*    C  10           H2*        C  10  -0.454  13.529  19.708
  202   2HO*    C  10          H2**        C  10   0.385  12.103  22.007
  203    H1*    C  10           H1*        C  10   1.627  11.383  20.223
  204   1H4     C  10          H41         C  10   5.846  16.128  19.827
  205   2H4     C  10          H42         C  10   4.938  16.945  18.575
  206    H5     C  10           H5         C  10   2.726  16.186  17.879
  207    H6     C  10           H6         C  10   1.085  14.408  18.082
  208    H3T    C  10           H3T        C  10  -0.777  10.368  21.404
  Start of MODEL    4
    1   1H5*    G   1          H5*         G   1  12.591  14.824  27.317
    2   2H5*    G   1          H5**        G   1  12.603  14.542  29.073
    3    H4*    G   1           H4*        G   1  11.793  12.265  28.747
    4    H3*    G   1           H3*        G   1  11.769  12.931  25.758
    5    H2*    G   1           H2*        G   1  10.086  11.094  25.730
    6   2HO*    G   1          H2**        G   1  10.449  11.011  28.533
    7    H1*    G   1           H1*        G   1   8.640  12.475  27.463
    8    H8     G   1           H8         G   1  10.595  15.275  25.909
    9    H1     G   1           H1         G   1   5.963  13.047  22.093
   10   1H2     G   1          H21         G   1   5.199  11.121  22.877
   11   2H2     G   1          H22         G   1   5.756  10.401  24.378
   12    H5T    G   1           H5T        G   1  13.884  12.733  27.451
   13   1H5*    G   2          H5*         G   2  11.225   8.930  26.086
   14   2H5*    G   2          H5**        G   2  12.280   8.015  24.988
   15    H4*    G   2           H4*        G   2   9.908   7.405  24.709
   16    H3*    G   2           H3*        G   2  11.051   8.916  22.307
   17    H2*    G   2           H2*        G   2   8.954   8.118  21.238
   18   2HO*    G   2          H2**        G   2   8.345   6.988  23.757
   19    H1*    G   2           H1*        G   2   7.562   9.288  23.104
   20    H8     G   2           H8         G   2  10.595  11.444  23.260
   21    H1     G   2           H1         G   2   6.903  12.650  18.177
   22   1H2     G   2          H21         G   2   5.352  10.847  17.914
   23   2H2     G   2          H22         G   2   5.299   9.593  19.119
   24   1H5*    U   3          H5*         U   3   8.866   5.532  21.245
   25   2H5*    U   3          H5**        U   3   9.808   4.496  20.152
   26    H4*    U   3           H4*        U   3   7.563   4.865  19.256
   27    H3*    U   3           H3*        U   3   9.758   6.313  17.697
   28    H2*    U   3           H2*        U   3   7.959   6.583  16.010
   29   2HO*    U   3          H2**        U   3   6.326   5.208  17.859
   30    H1*    U   3           H1*        U   3   6.409   7.725  17.844
   31    H3     U   3           H3         U   3   8.424  11.345  15.808
   32    H5     U   3           H5         U   3  10.964  10.230  18.952
   33    H6     U   3           H6         U   3   9.675   8.272  19.266
   34   1H5*    G   4          H5*         G   4   7.522   3.621  15.264
   35   2H5*    G   4          H5**        G   4   8.557   2.719  14.132
   36    H4*    G   4           H4*        G   4   6.776   3.932  12.926
   37    H3*    G   4           H3*        G   4   9.618   4.998  12.515
   38    H2*    G   4           H2*        G   4   8.628   6.462  10.850
   39   2HO*    G   4          H2**        G   4   6.183   5.153  11.422
   40    H1*    G   4           H1*        G   4   6.745   7.321  12.516
   41    H8     G   4           H8         G   4   9.762   6.477  14.699
   42    H1     G   4           H1         G   4   9.803  12.425  12.349
   43   1H2     G   4          H21         G   4   8.090  12.610  10.697
   44   2H2     G   4          H22         G   4   7.050  11.250  10.376
   45    HN1  PSU   5           HN1      PSU   5  13.181   5.645  11.071
   46    HN3  PSU   5           HN3      PSU   5  14.086   9.458   9.858
   47    H6   PSU   5           H6       PSU   5  11.019   5.763   9.757
   48    H1*  PSU   5           H1*      PSU   5   9.795   8.897   8.394
   49    H2*  PSU   5           H2*      PSU   5  11.302   7.872   6.491
   50   *HO2  PSU   5          *HO2      PSU   5   9.922   8.938   5.562
   51    H3*  PSU   5           H3*      PSU   5  10.936   5.597   7.231
   52    H4*  PSU   5           H4*      PSU   5   7.955   6.278   7.111
   53   1H5*  PSU   5          1H5*      PSU   5   7.743   4.727   8.988
   54   2H5*  PSU   5          2H5*      PSU   5   8.551   3.895   7.640
   55   1H5*    A   6          H5*         A   6   9.842   8.102   3.898
   56   2H5*    A   6          H5**        A   6  10.744   7.750   2.410
   57    H4*    A   6           H4*        A   6  11.056  10.096   3.148
   58    H3*    A   6           H3*        A   6  13.566   8.368   3.353
   59    H2*    A   6           H2*        A   6  14.686  10.515   3.860
   60   2HO*    A   6          H2**        A   6  13.398  12.405   3.969
   61    H1*    A   6           H1*        A   6  13.102  10.864   5.952
   62    H8     A   6           H8         A   6  12.897   7.135   5.320
   63   1H6     A   6          H61         A   6  17.901   6.475   8.850
   64   2H6     A   6          H62         A   6  16.626   5.670   7.970
   65    H2     A   6           H2         A   6  17.332  10.885   8.080
   66   1H5*    G   7          H5*         G   7  14.343  12.112   1.619
   67   2H5*    G   7          H5**        G   7  15.416  11.982   0.208
   68    H4*    G   7           H4*        G   7  16.358  13.529   1.874
   69    H3*    G   7           H3*        G   7  17.858  10.879   1.631
   70    H2*    G   7           H2*        G   7  19.571  12.042   3.000
   71   2HO*    G   7          H2**        G   7  19.132  14.112   3.725
   72    H1*    G   7           H1*        G   7  17.759  12.469   4.878
   73    H8     G   7           H8         G   7  16.306   9.476   3.060
   74    H1     G   7           H1         G   7  20.774   7.897   7.339
   75   1H2     G   7          H21         G   7  21.895   9.879   8.055
   76   2H2     G   7          H22         G   7  21.385  11.432   7.449
   77   1H5*    U   8          H5*         U   8  20.695  13.861   1.452
   78   2H5*    U   8          H5**        U   8  21.744  13.598   0.038
   79    H4*    U   8           H4*        U   8  23.108  13.733   2.067
   80    H3*    U   8           H3*        U   8  22.876  10.912   0.907
   81    H2*    U   8           H2*        U   8  24.695  10.410   2.478
   82   2HO*    U   8          H2**        U   8  25.965  11.925   2.628
   83    H1*    U   8           H1*        U   8  23.317  11.444   4.501
   84    H3     U   8           H3         U   8  22.690   6.924   4.819
   85    H5     U   8           H5         U   8  19.746   8.227   2.147
   86    H6     U   8           H6         U   8  20.772  10.382   2.128
   87   1H5*    A   9          H5*         A   9  27.019  12.411   0.119
   88   2H5*    A   9          H5**        A   9  27.775  11.569  -1.253
   89    H4*    A   9           H4*        A   9  28.948  11.136   0.871
   90    H3*    A   9           H3*        A   9  27.502   8.676  -0.213
   91    H2*    A   9           H2*        A   9  28.856   7.511   1.513
   92   2HO*    A   9          H2**        A   9  30.110   8.769   2.890
   93    H1*    A   9           H1*        A   9  27.733   9.057   3.350
   94    H8     A   9           H8         A   9  25.146   9.268   0.602
   95   1H6     A   9          H61         A   9  22.972   3.862   2.727
   96   2H6     A   9          H62         A   9  22.606   5.249   1.725
   97    H2     A   9           H2         A   9  26.869   4.671   4.754
   98    H3T    A   9           H3T        A   9  29.541   8.234  -1.046
   99   1H5*    U   1          H5*         U   1  26.407  -4.222   4.501
  100   2H5*    U   1          H5**        U   1  27.969  -4.868   3.950
  101    H4*    U   1           H4*        U   1  29.165  -3.167   5.227
  102    H3*    U   1           H3*        U   1  26.403  -2.106   6.027
  103    H2*    U   1           H2*        U   1  27.739  -0.037   6.394
  104   2HO*    U   1          H2**        U   1  29.665  -1.176   7.054
  105    H1*    U   1           H1*        U   1  28.673  -0.232   3.893
  106    H3     U   1           H3         U   1  25.292   2.832   3.720
  107    H5     U   1           H5         U   1  23.400  -0.879   3.272
  108    H6     U   1           H6         U   1  25.476  -1.951   3.786
  109    H5T    U   1           H5T        U   1  27.589  -4.507   6.642
  110   1H5*    A   2          H5*         A   2  29.155  -0.456   8.794
  111   2H5*    A   2          H5**        A   2  28.442  -0.453  10.422
  112    H4*    A   2           H4*        A   2  29.067   1.828   9.693
  113    H3*    A   2           H3*        A   2  26.036   1.412   9.823
  114    H2*    A   2           H2*        A   2  26.006   3.856   9.613
  115   2HO*    A   2          H2**        A   2  27.516   4.964  10.181
  116    H1*    A   2           H1*        A   2  27.629   3.749   7.497
  117    H8     A   2           H8         A   2  25.470   0.632   7.253
  118   1H6     A   2          H61         A   2  21.172   4.442   4.840
  119   2H6     A   2          H62         A   2  21.579   2.755   5.098
  120    H2     A   2           H2         A   2  24.482   6.940   6.428
  121   1H5*    C   3          H5*         C   3  27.643   4.807  12.023
  122   2H5*    C   3          H5**        C   3  26.829   5.009  13.589
  123    H4*    C   3           H4*        C   3  26.885   7.127  12.317
  124    H3*    C   3           H3*        C   3  24.087   5.916  12.591
  125    H2*    C   3           H2*        C   3  23.358   8.101  11.724
  126   2HO*    C   3          H2**        C   3  24.493   9.712  12.015
  127    H1*    C   3           H1*        C   3  25.095   7.954   9.699
  128   1H4     C   3          H41         C   3  19.992   5.168   7.232
  129   2H4     C   3          H42         C   3  20.554   3.587   7.720
  130    H5     C   3           H5         C   3  22.502   3.324   9.235
  131    H6     C   3           H6         C   3  24.271   4.497  10.385
  132   1H5*    U   4          H5*         U   4  25.020   9.829  13.658
  133   2H5*    U   4          H5**        U   4  24.575  10.421  15.265
  134    H4*    U   4           H4*        U   4  24.213  12.060  13.422
  135    H3*    U   4           H3*        U   4  22.583  11.972  15.509
  136    H2*    U   4           H2*        U   4  21.482  10.017  14.556
  137   2HO*    U   4          H2**        U   4  19.603  12.056  14.106
  138    H1*    U   4           H1*        U   4  20.974  11.858  12.192
  139    H3     U   4           H3         U   4  18.965   8.813   9.429
  140    H5     U   4           H5         U   4  20.698   6.440  12.420
  141    H6     U   4           H6         U   4  21.600   8.418  13.401
  142   1H5*    A   5          H5*         A   5  18.948  15.374  16.030
  143   2H5*    A   5          H5**        A   5  18.361  13.711  15.924
  144    H4*    A   5           H4*        A   5  19.247  15.467  13.603
  145    H3*    A   5           H3*        A   5  16.534  14.458  14.556
  146    H2*    A   5           H2*        A   5  15.838  14.613  12.261
  147   2HO*    A   5          H2**        A   5  17.000  16.390  11.584
  148    H1*    A   5           H1*        A   5  17.732  12.987  11.485
  149    H8     A   5           H8         A   5  17.741  11.912  14.974
  150   1H6     A   5          H61         A   5  12.432   8.898  14.054
  151   2H6     A   5          H62         A   5  13.912   8.943  14.973
  152    H2     A   5           H2         A   5  13.212  11.494  10.430
  153   1H5*    A   6          H5*         A   6  17.291  18.652  12.276
  154   2H5*    A   6          H5**        A   6  15.921  19.672  12.762
  155    H4*    A   6           H4*        A   6  16.514  20.049  10.441
  156    H3*    A   6           H3*        A   6  13.887  19.738  11.162
  157    H2*    A   6           H2*        A   6  14.097  17.312  10.562
  158   2HO*    A   6          H2**        A   6  12.571  18.842   8.958
  159    H1*    A   6           H1*        A   6  15.360  18.512   8.079
  160    H8     A   6           H8         A   6  16.360  15.355   9.986
  161   1H6     A   6          H61         A   6  15.234  12.034   6.388
  162   2H6     A   6          H62         A   6  14.284  12.290   4.958
  163    H2     A   6           H2         A   6  13.362  16.544   4.423
  164   1H5*    C   7          H5*         C   7  10.413  21.114  10.261
  165   2H5*    C   7          H5**        C   7  11.447  19.796  10.832
  166    H4*    C   7           H4*        C   7   9.356  19.618   8.631
  167    H3*    C   7           H3*        C   7   9.121  18.560  11.533
  168    H2*    C   7           H2*        C   7   7.776  16.884  10.605
  169   2HO*    C   7          H2**        C   7   6.656  17.949   9.138
  170    H1*    C   7           H1*        C   7   9.549  16.136   8.858
  171   1H4     C   7          H41         C   7  11.755  13.366  14.214
  172   2H4     C   7          H42         C   7  12.845  14.743  14.357
  173    H5     C   7           H5         C   7  12.719  16.693  13.114
  174    H6     C   7           H6         C   7  11.681  17.808  11.243
  175   1H5*    A   8          H5*         A   8   5.199  20.277  10.454
  176   2H5*    A   8          H5**        A   8   4.139  20.596  11.842
  177    H4*    A   8           H4*        A   8   3.723  18.388  10.674
  178    H3*    A   8           H3*        A   8   4.674  18.210  13.580
  179    H2*    A   8           H2*        A   8   4.238  15.798  13.288
  180   2HO*    A   8          H2**        A   8   2.890  15.196  12.022
  181    H1*    A   8           H1*        A   8   5.837  15.758  11.106
  182    H8     A   8           H8         A   8   7.429  18.390  13.181
  183   1H6     A   8          H61         A   8  10.104  13.764  16.316
  184   2H6     A   8          H62         A   8  10.096  15.493  16.036
  185    H2     A   8           H2         A   8   6.907  11.996  13.730
  186   1H5*    C   9          H5*         C   9   1.149  15.798  12.620
  187   2H5*    C   9          H5**        C   9  -0.068  15.885  13.913
  188    H4*    C   9           H4*        C   9   0.531  13.544  13.443
  189    H3*    C   9           H3*        C   9   1.512  14.603  16.140
  190    H2*    C   9           H2*        C   9   2.118  12.229  16.576
  191   2HO*    C   9          H2**        C   9   1.771  10.733  14.955
  192    H1*    C   9           H1*        C   9   3.580  12.168  14.379
  193   1H4     C   9          H41         C   9   7.782  15.213  18.053
  194   2H4     C   9          H42         C   9   7.109  16.755  17.572
  195    H5     C   9           H5         C   9   5.054  16.944  16.313
  196    H6     C   9           H6         C   9   3.329  15.726  15.143
  197   1H5*    C  10          H5*         C  10  -0.182  11.104  16.544
  198   2H5*    C  10          H5**        C  10  -1.578  10.925  17.623
  199    H4*    C  10           H4*        C  10   0.207   9.209  17.942
  200    H3*    C  10           H3*        C  10  -1.161  10.042  20.070
  201    H2*    C  10           H2*        C  10   0.156  12.169  20.024
  202   2HO*    C  10          H2**        C  10   1.166  10.608  22.161
  203    H1*    C  10           H1*        C  10   2.477  10.230  20.290
  204   1H4     C  10          H41         C  10   6.104  15.428  20.444
  205   2H4     C  10          H42         C  10   5.178  16.230  19.192
  206    H5     C  10           H5         C  10   3.107  15.260  18.303
  207    H6     C  10           H6         C  10   1.667  13.305  18.327
  208    H3T    C  10           H3T        C  10   0.228   8.848  21.398
  Start of MODEL    5
    1   1H5*    G   1          H5*         G   1  12.855  13.708  29.460
    2   2H5*    G   1          H5**        G   1  13.963  12.755  28.454
    3    H4*    G   1           H4*        G   1  11.745  11.676  28.691
    4    H3*    G   1           H3*        G   1  12.242  12.713  25.849
    5    H2*    G   1           H2*        G   1  10.305  11.277  25.366
    6   2HO*    G   1          H2**        G   1   9.800   9.771  26.495
    7    H1*    G   1           H1*        G   1   8.927  12.418  27.374
    8    H8     G   1           H8         G   1  11.020  15.221  25.938
    9    H1     G   1           H1         G   1   6.021  13.573  22.282
   10   1H2     G   1          H21         G   1   5.160  11.658  23.023
   11   2H2     G   1          H22         G   1   5.779  10.802  24.425
   12    H5T    G   1           H5T        G   1  13.996  14.977  27.941
   13   1H5*    G   2          H5*         G   2  11.138   8.570  26.110
   14   2H5*    G   2          H5**        G   2  12.010   7.566  24.934
   15    H4*    G   2           H4*        G   2   9.556   7.248  24.773
   16    H3*    G   2           H3*        G   2  10.816   8.655  22.368
   17    H2*    G   2           H2*        G   2   8.627   8.299  21.331
   18   2HO*    G   2          H2**        G   2   7.383   6.902  21.941
   19    H1*    G   2           H1*        G   2   7.414   9.454  23.353
   20    H8     G   2           H8         G   2  10.656  11.348  23.358
   21    H1     G   2           H1         G   2   6.762  12.962  18.549
   22   1H2     G   2          H21         G   2   5.060  11.291  18.353
   23   2H2     G   2          H22         G   2   4.949  10.042  19.562
   24   1H5*    U   3          H5*         U   3   8.141   5.360  21.547
   25   2H5*    U   3          H5**        U   3   8.848   4.256  20.351
   26    H4*    U   3           H4*        U   3   6.535   4.828  19.744
   27    H3*    U   3           H3*        U   3   8.660   6.033  17.910
   28    H2*    U   3           H2*        U   3   6.714   6.500  16.438
   29   2HO*    U   3          H2**        U   3   4.672   5.972  17.169
   30    H1*    U   3           H1*        U   3   5.560   7.843  18.420
   31    H3     U   3           H3         U   3   7.791  11.183  16.150
   32    H5     U   3           H5         U   3  10.539   9.670  18.923
   33    H6     U   3           H6         U   3   9.032   7.899  19.410
   34   1H5*    G   4          H5*         G   4   5.978   3.847  15.473
   35   2H5*    G   4          H5**        G   4   6.914   2.796  14.384
   36    H4*    G   4           H4*        G   4   5.411   4.233  13.082
   37    H3*    G   4           H3*        G   4   8.380   4.939  12.867
   38    H2*    G   4           H2*        G   4   7.661   6.452  11.074
   39   2HO*    G   4          H2**        G   4   5.492   6.549  10.535
   40    H1*    G   4           H1*        G   4   5.858   7.596  12.652
   41    H8     G   4           H8         G   4   8.515   6.357  15.073
   42    H1     G   4           H1         G   4   9.756  12.126  12.612
   43   1H2     G   4          H21         G   4   8.226  12.548  10.830
   44   2H2     G   4          H22         G   4   7.041  11.344  10.404
   45    HN1  PSU   5           HN1      PSU   5  11.359   5.766  12.093
   46    HN3  PSU   5           HN3      PSU   5  11.351   9.830  11.542
   47    H6   PSU   5           H6       PSU   5   9.896   5.506  10.041
   48    H1*  PSU   5           H1*      PSU   5   8.507   8.505   8.365
   49    H2*  PSU   5           H2*      PSU   5  10.522   7.485   6.994
   50   *HO2  PSU   5          *HO2      PSU   5   8.473   6.969   5.497
   51    H3*  PSU   5           H3*      PSU   5  10.157   5.234   7.815
   52    H4*  PSU   5           H4*      PSU   5   7.230   5.606   6.995
   53   1H5*  PSU   5          1H5*      PSU   5   6.739   4.229   8.975
   54   2H5*  PSU   5          2H5*      PSU   5   7.846   3.368   7.879
   55   1H5*    A   6          H5*         A   6   9.520   7.414   4.255
   56   2H5*    A   6          H5**        A   6  10.515   7.021   2.841
   57    H4*    A   6           H4*        A   6  10.616   9.433   3.524
   58    H3*    A   6           H3*        A   6  13.247   7.896   3.772
   59    H2*    A   6           H2*        A   6  14.186  10.156   4.193
   60   2HO*    A   6          H2**        A   6  12.688  11.912   4.333
   61    H1*    A   6           H1*        A   6  12.616  10.388   6.292
   62    H8     A   6           H8         A   6  12.522   6.676   5.931
   63   1H6     A   6          H61         A   6  18.018   6.350   8.683
   64   2H6     A   6          H62         A   6  16.594   5.477   8.175
   65    H2     A   6           H2         A   6  17.212  10.683   7.742
   66   1H5*    G   7          H5*         G   7  13.915  11.564   2.105
   67   2H5*    G   7          H5**        G   7  14.953  11.506   0.665
   68    H4*    G   7           H4*        G   7  15.823  13.078   2.354
   69    H3*    G   7           H3*        G   7  17.572  10.584   2.005
   70    H2*    G   7           H2*        G   7  19.184  11.933   3.326
   71   2HO*    G   7          H2**        G   7  18.341  13.995   2.508
   72    H1*    G   7           H1*        G   7  17.421  12.068   5.271
   73    H8     G   7           H8         G   7  16.098   9.017   3.524
   74    H1     G   7           H1         G   7  21.220   7.788   7.146
   75   1H2     G   7          H21         G   7  22.227   9.857   7.785
   76   2H2     G   7          H22         G   7  21.511  11.360   7.274
   77   1H5*    U   8          H5*         U   8  19.993  13.868   1.844
   78   2H5*    U   8          H5**        U   8  21.038  13.800   0.411
   79    H4*    U   8           H4*        U   8  22.380  14.117   2.433
   80    H3*    U   8           H3*        U   8  22.649  11.327   1.209
   81    H2*    U   8           H2*        U   8  24.622  11.217   2.730
   82   2HO*    U   8          H2**        U   8  25.009  12.945   4.087
   83    H1*    U   8           H1*        U   8  23.022  11.762   4.778
   84    H3     U   8           H3         U   8  23.258   7.165   4.666
   85    H5     U   8           H5         U   8  19.899   8.191   2.389
   86    H6     U   8           H6         U   8  20.557  10.468   2.490
   87   1H5*    A   9          H5*         A   9  26.499  13.263   0.827
   88   2H5*    A   9          H5**        A   9  27.341  12.735  -0.649
   89    H4*    A   9           H4*        A   9  28.613  12.164   1.374
   90    H3*    A   9           H3*        A   9  27.441   9.713  -0.019
   91    H2*    A   9           H2*        A   9  28.984   8.504   1.489
   92   2HO*    A   9          H2**        A   9  30.150   9.702   2.993
   93    H1*    A   9           H1*        A   9  27.781   9.647   3.559
   94    H8     A   9           H8         A   9  25.031   9.905   1.008
   95   1H6     A   9          H61         A   9  23.678   4.001   2.391
   96   2H6     A   9          H62         A   9  23.078   5.453   1.617
   97    H2     A   9           H2         A   9  27.581   5.008   4.304
   98    H3T    A   9           H3T        A   9  29.483   9.654  -0.953
   99   1H5*    U   1          H5*         U   1  28.226  -3.986   4.386
  100   2H5*    U   1          H5**        U   1  29.955  -4.129   3.994
  101    H4*    U   1           H4*        U   1  30.476  -2.211   5.403
  102    H3*    U   1           H3*        U   1  27.458  -1.997   5.908
  103    H2*    U   1           H2*        U   1  28.104   0.314   6.454
  104   2HO*    U   1          H2**        U   1  29.895   0.769   7.075
  105    H1*    U   1           H1*        U   1  29.589   0.452   4.179
  106    H3     U   1           H3         U   1  25.994   3.139   3.501
  107    H5     U   1           H5         U   1  24.508  -0.723   2.856
  108    H6     U   1           H6         U   1  26.606  -1.605   3.620
  109    H5T    U   1           H5T        U   1  29.214  -4.019   6.635
  110   1H5*    A   2          H5*         A   2  30.010  -0.004   8.912
  111   2H5*    A   2          H5**        A   2  29.204  -0.014  10.496
  112    H4*    A   2           H4*        A   2  29.819   2.277   9.821
  113    H3*    A   2           H3*        A   2  26.802   1.784   9.744
  114    H2*    A   2           H2*        A   2  26.715   4.230   9.557
  115   2HO*    A   2          H2**        A   2  28.157   5.369  10.231
  116    H1*    A   2           H1*        A   2  28.424   4.181   7.514
  117    H8     A   2           H8         A   2  26.381   0.962   7.288
  118   1H6     A   2          H61         A   2  22.052   4.472   4.564
  119   2H6     A   2          H62         A   2  22.561   2.822   4.864
  120    H2     A   2           H2         A   2  25.211   7.188   6.138
  121   1H5*    C   3          H5*         C   3  28.134   5.208  12.100
  122   2H5*    C   3          H5**        C   3  27.187   5.327  13.598
  123    H4*    C   3           H4*        C   3  27.210   7.480  12.404
  124    H3*    C   3           H3*        C   3  24.498   6.067  12.356
  125    H2*    C   3           H2*        C   3  23.694   8.228  11.512
  126   2HO*    C   3          H2**        C   3  24.637   9.886  12.045
  127    H1*    C   3           H1*        C   3  25.573   8.257   9.622
  128   1H4     C   3          H41         C   3  20.797   5.047   6.945
  129   2H4     C   3          H42         C   3  21.504   3.524   7.424
  130    H5     C   3           H5         C   3  23.306   3.429   9.119
  131    H6     C   3           H6         C   3  24.930   4.741  10.340
  132   1H5*    U   4          H5*         U   4  24.761   9.987  13.753
  133   2H5*    U   4          H5**        U   4  24.114  10.273  15.377
  134    H4*    U   4           H4*        U   4  23.591  12.078  13.769
  135    H3*    U   4           H3*        U   4  21.837  11.329  15.627
  136    H2*    U   4           H2*        U   4  21.101   9.473  14.230
  137   2HO*    U   4          H2**        U   4  19.018  11.240  13.623
  138    H1*    U   4           H1*        U   4  20.616  11.611  12.128
  139    H3     U   4           H3         U   4  18.938   8.658   9.078
  140    H5     U   4           H5         U   4  21.405   6.262  11.485
  141    H6     U   4           H6         U   4  21.949   8.205  12.765
  142   1H5*    A   5          H5*         A   5  17.863  14.805  14.794
  143   2H5*    A   5          H5**        A   5  16.922  13.317  14.611
  144    H4*    A   5           H4*        A   5  19.237  14.142  12.827
  145    H3*    A   5           H3*        A   5  17.027  15.584  12.535
  146    H2*    A   5           H2*        A   5  15.668  13.558  12.919
  147   2HO*    A   5          H2**        A   5  15.385  13.987  10.157
  148    H1*    A   5           H1*        A   5  17.313  12.634  10.511
  149    H8     A   5           H8         A   5  17.482   9.908  12.814
  150   1H6     A   5          H61         A   5  14.209   6.940  10.756
  151   2H6     A   5          H62         A   5  12.937   7.193   9.582
  152    H2     A   5           H2         A   5  13.033  11.523   8.448
  153   1H5*    A   6          H5*         A   6  19.382  18.399   9.382
  154   2H5*    A   6          H5**        A   6  18.924  19.318  10.828
  155    H4*    A   6           H4*        A   6  17.586  19.973   8.930
  156    H3*    A   6           H3*        A   6  16.375  19.606  11.302
  157    H2*    A   6           H2*        A   6  16.147  17.182  10.732
  158   2HO*    A   6          H2**        A   6  13.692  18.526  10.461
  159    H1*    A   6           H1*        A   6  14.772  18.310   8.288
  160    H8     A   6           H8         A   6  16.864  15.335   9.412
  161   1H6     A   6          H61         A   6  13.510  12.008   5.345
  162   2H6     A   6          H62         A   6  14.708  11.844   6.584
  163    H2     A   6           H2         A   6  12.150  16.226   5.167
  164   1H5*    C   7          H5*         C   7  11.237  20.739  10.941
  165   2H5*    C   7          H5**        C   7  12.057  19.341  11.664
  166    H4*    C   7           H4*        C   7  10.416  19.352   9.116
  167    H3*    C   7           H3*        C   7   9.698  18.223  11.907
  168    H2*    C   7           H2*        C   7   8.391  16.678  10.722
  169   2HO*    C   7          H2**        C   7   7.594  17.892   9.144
  170    H1*    C   7           H1*        C   7  10.380  15.877   9.229
  171   1H4     C   7          H41         C   7  11.646  12.765  14.658
  172   2H4     C   7          H42         C   7  12.819  13.995  15.072
  173    H5     C   7           H5         C   7  13.145  16.002  13.740
  174    H6     C   7           H6         C   7  12.398  17.242  11.827
  175   1H5*    A   8          H5*         A   8   6.110  20.346  10.490
  176   2H5*    A   8          H5**        A   8   4.953  20.715  11.785
  177    H4*    A   8           H4*        A   8   4.465  18.612  10.490
  178    H3*    A   8           H3*        A   8   5.109  18.180  13.455
  179    H2*    A   8           H2*        A   8   4.321  15.854  12.908
  180   2HO*    A   8          H2**        A   8   2.813  16.537  11.280
  181    H1*    A   8           H1*        A   8   6.252  15.743  11.028
  182    H8     A   8           H8         A   8   7.882  18.176  13.245
  183   1H6     A   8          H61         A   8   9.770  13.361  16.617
  184   2H6     A   8          H62         A   8   9.887  15.093  16.390
  185    H2     A   8           H2         A   8   6.576  11.898  13.830
  186   1H5*    C   9          H5*         C   9   1.491  16.209  12.550
  187   2H5*    C   9          H5**        C   9   0.264  16.460  13.814
  188    H4*    C   9           H4*        C   9   0.736  14.064  13.511
  189    H3*    C   9           H3*        C   9   1.735  15.241  16.151
  190    H2*    C   9           H2*        C   9   2.183  12.870  16.748
  191   2HO*    C   9          H2**        C   9   1.201  12.281  14.165
  192    H1*    C   9           H1*        C   9   3.685  12.587  14.590
  193   1H4     C   9          H41         C   9   7.885  15.525  18.328
  194   2H4     C   9          H42         C   9   7.444  17.075  17.642
  195    H5     C   9           H5         C   9   5.584  17.326  16.095
  196    H6     C   9           H6         C   9   3.821  16.170  14.915
  197   1H5*    C  10          H5*         C  10  -0.202  11.891  16.691
  198   2H5*    C  10          H5**        C  10  -1.624  11.835  17.749
  199    H4*    C  10           H4*        C  10   0.063  10.040  18.172
  200    H3*    C  10           H3*        C  10  -1.308  11.024  20.231
  201    H2*    C  10           H2*        C  10   0.116  13.084  20.124
  202   2HO*    C  10          H2**        C  10   0.991  11.577  22.358
  203    H1*    C  10           H1*        C  10   2.318  11.042  20.545
  204   1H4     C  10          H41         C  10   6.244  16.008  20.627
  205   2H4     C  10          H42         C  10   5.381  16.843  19.350
  206    H5     C  10           H5         C  10   3.310  15.946  18.393
  207    H6     C  10           H6         C  10   1.755  14.079  18.430
  208    H3T    C  10           H3T        C  10  -0.106   9.042  20.264
  Start of MODEL    6
    1   1H5*    G   1          H5*         G   1  12.399  15.949  27.361
    2   2H5*    G   1          H5**        G   1  12.122  15.372  29.021
    3    H4*    G   1           H4*        G   1  11.607  13.135  28.199
    4    H3*    G   1           H3*        G   1  12.003  14.285  25.384
    5    H2*    G   1           H2*        G   1  10.594  12.354  24.806
    6   2HO*    G   1          H2**        G   1  10.503  10.758  25.915
    7    H1*    G   1           H1*        G   1   8.837  13.022  26.749
    8    H8     G   1           H8         G   1  10.067  16.290  25.283
    9    H1     G   1           H1         G   1   5.853  13.205  21.569
   10   1H2     G   1          H21         G   1   5.540  11.146  22.331
   11   2H2     G   1          H22         G   1   6.349  10.519  23.757
   12    H5T    G   1           H5T        G   1  13.853  13.970  27.418
   13   1H5*    G   2          H5*         G   2  12.190   9.993  25.714
   14   2H5*    G   2          H5**        G   2  13.368   9.271  24.599
   15    H4*    G   2           H4*        G   2  11.123   8.245  24.359
   16    H3*    G   2           H3*        G   2  12.014   9.921  21.960
   17    H2*    G   2           H2*        G   2  10.061   8.927  20.867
   18   2HO*    G   2          H2**        G   2   9.299   7.214  21.460
   19    H1*    G   2           H1*        G   2   8.481   9.686  22.829
   20    H8     G   2           H8         G   2  11.067  12.433  22.827
   21    H1     G   2           H1         G   2   6.851  12.866  18.037
   22   1H2     G   2          H21         G   2   5.677  10.790  17.866
   23   2H2     G   2          H22         G   2   5.923   9.566  19.080
   24   1H5*    U   3          H5*         U   3  10.539   5.919  21.205
   25   2H5*    U   3          H5**        U   3  11.545   5.046  20.032
   26    H4*    U   3           H4*        U   3   9.159   4.918  19.428
   27    H3*    U   3           H3*        U   3  10.886   6.589  17.532
   28    H2*    U   3           H2*        U   3   8.894   6.591  16.093
   29   2HO*    U   3          H2**        U   3   7.682   5.043  18.124
   30    H1*    U   3           H1*        U   3   7.395   7.538  18.064
   31    H3     U   3           H3         U   3   8.515  11.449  15.949
   32    H5     U   3           H5         U   3  11.683  10.673  18.564
   33    H6     U   3           H6         U   3  10.755   8.527  19.007
   34   1H5*    G   4          H5*         G   4   8.508   3.821  15.488
   35   2H5*    G   4          H5**        G   4   9.418   2.847  14.310
   36    H4*    G   4           H4*        G   4   7.498   3.970  13.230
   37    H3*    G   4           H3*        G   4  10.294   4.911  12.431
   38    H2*    G   4           H2*        G   4   9.238   6.418  10.895
   39   2HO*    G   4          H2**        G   4   7.696   4.949  10.219
   40    H1*    G   4           H1*        G   4   7.447   7.349  12.613
   41    H8     G   4           H8         G   4  10.639   6.552  14.535
   42    H1     G   4           H1         G   4  10.377  12.520  12.255
   43   1H2     G   4          H21         G   4   8.581  12.682  10.705
   44   2H2     G   4          H22         G   4   7.485  11.340  10.529
   45    HN1  PSU   5           HN1      PSU   5  13.134   5.404  10.514
   46    HN3  PSU   5           HN3      PSU   5  13.027   9.487  10.531
   47    H6   PSU   5           H6       PSU   5  10.957   5.372   9.240
   48    H1*  PSU   5           H1*      PSU   5   9.025   8.469   8.686
   49    H2*  PSU   5           H2*      PSU   5  10.528   7.987   6.603
   50   *HO2  PSU   5          *HO2      PSU   5   7.723   7.644   6.682
   51    H3*  PSU   5           H3*      PSU   5  10.710   5.632   7.118
   52    H4*  PSU   5           H4*      PSU   5   7.648   5.635   7.059
   53   1H5*  PSU   5          1H5*      PSU   5   7.767   3.935   8.807
   54   2H5*  PSU   5          2H5*      PSU   5   8.723   3.390   7.415
   55   1H5*    A   6          H5*         A   6   9.592   8.410   4.244
   56   2H5*    A   6          H5**        A   6  10.611   8.334   2.791
   57    H4*    A   6           H4*        A   6  10.756  10.541   3.894
   58    H3*    A   6           H3*        A   6  13.332   8.910   4.069
   59    H2*    A   6           H2*        A   6  14.283  11.053   4.938
   60   2HO*    A   6          H2**        A   6  12.858  12.817   5.185
   61    H1*    A   6           H1*        A   6  12.536  10.939   6.943
   62    H8     A   6           H8         A   6  12.403   7.348   5.972
   63   1H6     A   6          H61         A   6  17.581   6.406   9.138
   64   2H6     A   6          H62         A   6  16.223   5.686   8.311
   65    H2     A   6           H2         A   6  16.985  10.886   8.762
   66   1H5*    G   7          H5*         G   7  14.260  12.818   3.071
   67   2H5*    G   7          H5**        G   7  15.348  12.880   1.668
   68    H4*    G   7           H4*        G   7  16.285  14.146   3.558
   69    H3*    G   7           H3*        G   7  17.782  11.551   2.921
   70    H2*    G   7           H2*        G   7  19.483  12.479   4.456
   71   2HO*    G   7          H2**        G   7  19.034  14.410   5.506
   72    H1*    G   7           H1*        G   7  17.675  12.591   6.359
   73    H8     G   7           H8         G   7  15.984   9.966   4.324
   74    H1     G   7           H1         G   7  20.937   7.680   7.645
   75   1H2     G   7          H21         G   7  22.243   9.512   8.446
   76   2H2     G   7          H22         G   7  21.728  11.146   8.131
   77   1H5*    U   8          H5*         U   8  20.691  14.429   3.360
   78   2H5*    U   8          H5**        U   8  21.705  14.434   1.899
   79    H4*    U   8           H4*        U   8  23.111  14.158   3.890
   80    H3*    U   8           H3*        U   8  22.826  11.631   2.190
   81    H2*    U   8           H2*        U   8  24.671  10.807   3.573
   82   2HO*    U   8          H2**        U   8  25.975  12.129   4.185
   83    H1*    U   8           H1*        U   8  23.350  11.413   5.800
   84    H3     U   8           H3         U   8  22.773   6.911   5.091
   85    H5     U   8           H5         U   8  19.639   8.776   3.029
   86    H6     U   8           H6         U   8  20.673  10.880   3.427
   87   1H5*    A   9          H5*         A   9  27.011  13.012   2.291
   88   2H5*    A   9          H5**        A   9  27.839  12.627   0.764
   89    H4*    A   9           H4*        A   9  28.982  11.615   2.689
   90    H3*    A   9           H3*        A   9  27.594   9.551   0.915
   91    H2*    A   9           H2*        A   9  28.949   7.954   2.241
   92   2HO*    A   9          H2**        A   9  30.719   9.414   2.612
   93    H1*    A   9           H1*        A   9  27.792   8.891   4.440
   94    H8     A   9           H8         A   9  25.217   9.847   1.837
   95   1H6     A   9          H61         A   9  23.014   4.086   2.424
   96   2H6     A   9          H62         A   9  22.693   5.683   1.781
   97    H2     A   9           H2         A   9  26.923   4.285   4.586
   98    H3T    A   9           H3T        A   9  29.143  10.895  -0.095
   99   1H5*    U   1          H5*         U   1  26.457  -5.183   3.109
  100   2H5*    U   1          H5**        U   1  25.754  -5.389   4.725
  101    H4*    U   1           H4*        U   1  27.789  -3.988   4.766
  102    H3*    U   1           H3*        U   1  25.235  -2.411   5.375
  103    H2*    U   1           H2*        U   1  26.871  -0.694   6.095
  104   2HO*    U   1          H2**        U   1  28.851  -2.560   5.317
  105    H1*    U   1           H1*        U   1  28.026  -0.805   3.701
  106    H3     U   1           H3         U   1  25.128   2.733   3.518
  107    H5     U   1           H5         U   1  22.810  -0.605   2.516
  108    H6     U   1           H6         U   1  24.650  -2.012   3.107
  109    H5T    U   1           H5T        U   1  24.184  -4.922   3.144
  110   1H5*    A   2          H5*         A   2  28.062  -1.636   8.455
  111   2H5*    A   2          H5**        A   2  27.233  -1.601  10.029
  112    H4*    A   2           H4*        A   2  28.432   0.515   9.609
  113    H3*    A   2           H3*        A   2  25.388   0.781   9.482
  114    H2*    A   2           H2*        A   2  25.874   3.184   9.488
  115   2HO*    A   2          H2**        A   2  27.513   3.888  10.272
  116    H1*    A   2           H1*        A   2  27.493   2.916   7.416
  117    H8     A   2           H8         A   2  24.977   0.123   6.933
  118   1H6     A   2          H61         A   2  21.179   4.522   4.741
  119   2H6     A   2          H62         A   2  21.449   2.791   4.814
  120    H2     A   2           H2         A   2  24.732   6.542   6.500
  121   1H5*    C   3          H5*         C   3  27.321   3.579  12.154
  122   2H5*    C   3          H5**        C   3  26.390   3.796  13.652
  123    H4*    C   3           H4*        C   3  26.922   5.965  12.587
  124    H3*    C   3           H3*        C   3  23.955   5.221  12.515
  125    H2*    C   3           H2*        C   3  23.668   7.532  11.726
  126   2HO*    C   3          H2**        C   3  24.981   8.918  12.212
  127    H1*    C   3           H1*        C   3  25.445   7.178   9.807
  128   1H4     C   3          H41         C   3  20.047   5.072   7.225
  129   2H4     C   3          H42         C   3  20.519   3.420   7.537
  130    H5     C   3           H5         C   3  22.350   2.896   9.124
  131    H6     C   3           H6         C   3  24.215   3.823  10.346
  132   1H5*    U   4          H5*         U   4  25.188   8.860  13.924
  133   2H5*    U   4          H5**        U   4  24.655   9.448  15.505
  134    H4*    U   4           H4*        U   4  24.687  11.167  13.712
  135    H3*    U   4           H3*        U   4  22.828  11.216  15.615
  136    H2*    U   4           H2*        U   4  21.510   9.544  14.414
  137   2HO*    U   4          H2**        U   4  20.330  12.050  13.911
  138    H1*    U   4           H1*        U   4  21.642  11.465  12.070
  139    H3     U   4           H3         U   4  18.882   8.741   9.590
  140    H5     U   4           H5         U   4  20.967   6.065  12.056
  141    H6     U   4           H6         U   4  22.091   7.930  13.044
  142   1H5*    A   5          H5*         A   5  21.820  14.240  11.711
  143   2H5*    A   5          H5**        A   5  21.251  15.683  12.577
  144    H4*    A   5           H4*        A   5  20.011  15.389  10.508
  145    H3*    A   5           H3*        A   5  18.275  14.720  12.936
  146    H2*    A   5           H2*        A   5  16.489  14.866  11.265
  147   2HO*    A   5          H2**        A   5  17.307  16.564  10.102
  148    H1*    A   5           H1*        A   5  17.769  13.133   9.674
  149    H8     A   5           H8         A   5  18.768  12.191  13.211
  150   1H6     A   5          H61         A   5  13.302   9.327  13.709
  151   2H6     A   5          H62         A   5  14.907   9.492  14.373
  152    H2     A   5           H2         A   5  13.268  11.648   9.869
  153   1H5*    A   6          H5*         A   6  17.870  19.170  10.334
  154   2H5*    A   6          H5**        A   6  17.275  20.071  11.746
  155    H4*    A   6           H4*        A   6  16.307  20.858   9.635
  156    H3*    A   6           H3*        A   6  14.691  20.777  11.767
  157    H2*    A   6           H2*        A   6  14.528  18.360  11.490
  158   2HO*    A   6          H2**        A   6  12.127  19.545  10.669
  159    H1*    A   6           H1*        A   6  13.443  19.003   8.723
  160    H8     A   6           H8         A   6  15.107  16.389  11.024
  161   1H6     A   6          H61         A   6  14.324  12.466   8.353
  162   2H6     A   6          H62         A   6  13.637  12.221   6.743
  163    H2     A   6           H2         A   6  12.571  16.210   5.115
  164   1H5*    C   7          H5*         C   7   9.471  21.294  10.358
  165   2H5*    C   7          H5**        C   7  10.415  20.179  11.364
  166    H4*    C   7           H4*        C   7   9.258  19.593   8.619
  167    H3*    C   7           H3*        C   7   8.358  18.496  11.371
  168    H2*    C   7           H2*        C   7   7.635  16.619  10.149
  169   2HO*    C   7          H2**        C   7   6.975  17.841   8.271
  170    H1*    C   7           H1*        C   7   9.970  16.289   8.968
  171   1H4     C   7          H41         C   7  11.715  13.532  14.388
  172   2H4     C   7          H42         C   7  11.848  15.072  15.211
  173    H5     C   7           H5         C   7  11.319  17.199  14.104
  174    H6     C   7           H6         C   7  10.490  18.204  12.085
  175   1H5*    A   8          H5*         A   8   4.565  19.281   9.491
  176   2H5*    A   8          H5**        A   8   3.257  19.506  10.671
  177    H4*    A   8           H4*        A   8   3.445  17.162   9.753
  178    H3*    A   8           H3*        A   8   3.999  17.444  12.754
  179    H2*    A   8           H2*        A   8   4.003  14.973  12.679
  180   2HO*    A   8          H2**        A   8   2.895  14.070  11.360
  181    H1*    A   8           H1*        A   8   5.846  15.030  10.686
  182    H8     A   8           H8         A   8   6.715  18.028  12.673
  183   1H6     A   8          H61         A   8   9.738  14.134  16.434
  184   2H6     A   8          H62         A   8   9.372  15.823  16.131
  185    H2     A   8           H2         A   8   7.174  11.695  13.720
  186   1H5*    C   9          H5*         C   9   0.972  14.383  11.878
  187   2H5*    C   9          H5**        C   9  -0.339  14.448  13.079
  188    H4*    C   9           H4*        C   9   0.683  12.200  13.019
  189    H3*    C   9           H3*        C   9   1.227  13.829  15.550
  190    H2*    C   9           H2*        C   9   2.272  11.794  16.418
  191   2HO*    C   9          H2**        C   9   1.662  10.051  15.793
  192    H1*    C   9           H1*        C   9   3.828  11.560  14.300
  193   1H4     C   9          H41         C   9   7.189  15.670  17.763
  194   2H4     C   9          H42         C   9   6.324  17.027  17.071
  195    H5     C   9           H5         C   9   4.399  16.726  15.610
  196    H6     C   9           H6         C   9   2.988  15.104  14.502
  197   1H5*    C  10          H5*         C  10  -0.018  10.038  16.211
  198   2H5*    C  10          H5**        C  10  -1.384   9.729  17.294
  199    H4*    C  10           H4*        C  10   0.633   8.306  17.710
  200    H3*    C  10           H3*        C  10  -0.894   9.004  19.772
  201    H2*    C  10           H2*        C  10   0.079  11.305  19.654
  202   2HO*    C  10          H2**        C  10   1.257  10.011  21.881
  203    H1*    C  10           H1*        C  10   2.660   9.766  20.078
  204   1H4     C  10          H41         C  10   5.466  15.477  19.970
  205   2H4     C  10          H42         C  10   4.367  16.088  18.753
  206    H5     C  10           H5         C  10   2.432  14.806  17.999
  207    H6     C  10           H6         C  10   1.324  12.647  18.095
  208    H3T    C  10           H3T        C  10   0.628   8.090  21.173
  Start of MODEL    7
    1   1H5*    G   1          H5*         G   1  12.229  15.076  27.627
    2   2H5*    G   1          H5**        G   1  12.072  14.854  29.384
    3    H4*    G   1           H4*        G   1  11.234  12.586  29.059
    4    H3*    G   1           H3*        G   1  11.501  13.141  26.057
    5    H2*    G   1           H2*        G   1   9.784  11.323  25.961
    6   2HO*    G   1          H2**        G   1  10.576  10.243  27.890
    7    H1*    G   1           H1*        G   1   8.230  12.798  27.512
    8    H8     G   1           H8         G   1  10.304  15.541  26.033
    9    H1     G   1           H1         G   1   5.995  13.192  21.922
   10   1H2     G   1          H21         G   1   5.180  11.282  22.694
   11   2H2     G   1          H22         G   1   5.612  10.609  24.258
   12    H5T    G   1           H5T        G   1  13.447  12.960  27.952
   13   1H5*    G   2          H5*         G   2  10.805   9.165  26.342
   14   2H5*    G   2          H5**        G   2  11.979   8.224  25.400
   15    H4*    G   2           H4*        G   2   9.643   7.688  24.765
   16    H3*    G   2           H3*        G   2  11.197   9.188  22.597
   17    H2*    G   2           H2*        G   2   9.295   8.531  21.191
   18   2HO*    G   2          H2**        G   2   8.149   6.991  21.623
   19    H1*    G   2           H1*        G   2   7.583   9.521  22.952
   20    H8     G   2           H8         G   2  10.512  11.851  23.323
   21    H1     G   2           H1         G   2   7.118  12.785  17.976
   22   1H2     G   2          H21         G   2   5.668  10.907  17.659
   23   2H2     G   2          H22         G   2   5.595   9.676  18.886
   24   1H5*    U   3          H5*         U   3   9.141   5.555  21.442
   25   2H5*    U   3          H5**        U   3  10.196   4.529  20.452
   26    H4*    U   3           H4*        U   3   7.986   4.765  19.401
   27    H3*    U   3           H3*        U   3  10.264   6.183  17.919
   28    H2*    U   3           H2*        U   3   8.618   6.493  16.156
   29   2HO*    U   3          H2**        U   3   7.337   5.014  15.927
   30    H1*    U   3           H1*        U   3   6.831   7.519  17.819
   31    H3     U   3           H3         U   3   8.693  11.272  15.920
   32    H5     U   3           H5         U   3  11.279  10.224  19.038
   33    H6     U   3           H6         U   3  10.066   8.198  19.329
   34   1H5*    G   4          H5*         G   4   8.265   3.021  15.545
   35   2H5*    G   4          H5**        G   4   9.434   2.135  14.537
   36    H4*    G   4           H4*        G   4   7.630   3.111  13.160
   37    H3*    G   4           H3*        G   4  10.414   4.340  12.803
   38    H2*    G   4           H2*        G   4   9.450   5.698  11.071
   39   2HO*    G   4          H2**        G   4   7.282   5.414  10.499
   40    H1*    G   4           H1*        G   4   7.416   6.503  12.562
   41    H8     G   4           H8         G   4  10.394   5.888  14.899
   42    H1     G   4           H1         G   4  10.069  11.813  12.539
   43   1H2     G   4          H21         G   4   8.424  11.876  10.810
   44   2H2     G   4          H22         G   4   7.459  10.464  10.487
   45    HN1  PSU   5           HN1      PSU   5  13.637   5.386  10.796
   46    HN3  PSU   5           HN3      PSU   5  13.450   9.374   9.888
   47    H6   PSU   5           H6       PSU   5  11.407   5.043   9.653
   48    H1*  PSU   5           H1*      PSU   5   9.309   7.836   8.675
   49    H2*  PSU   5           H2*      PSU   5  10.768   7.397   6.535
   50   *HO2  PSU   5          *HO2      PSU   5   8.737   6.781   5.444
   51    H3*  PSU   5           H3*      PSU   5  11.253   5.118   7.238
   52    H4*  PSU   5           H4*      PSU   5   8.199   4.816   7.283
   53   1H5*  PSU   5          1H5*      PSU   5   8.472   3.254   9.100
   54   2H5*  PSU   5          2H5*      PSU   5   9.489   2.694   7.755
   55   1H5*    A   6          H5*         A   6   9.671   7.501   4.088
   56   2H5*    A   6          H5**        A   6  10.676   7.397   2.627
   57    H4*    A   6           H4*        A   6  10.550   9.704   3.493
   58    H3*    A   6           H3*        A   6  13.323   8.453   3.761
   59    H2*    A   6           H2*        A   6  13.975  10.774   4.365
   60   2HO*    A   6          H2**        A   6  12.253  12.321   4.545
   61    H1*    A   6           H1*        A   6  12.327  10.698   6.425
   62    H8     A   6           H8         A   6  12.668   7.030   5.635
   63   1H6     A   6          H61         A   6  17.669   6.793   9.132
   64   2H6     A   6          H62         A   6  16.495   5.919   8.180
   65    H2     A   6           H2         A   6  16.600  11.170   8.607
   66   1H5*    G   7          H5*         G   7  13.887  12.269   2.273
   67   2H5*    G   7          H5**        G   7  15.053  12.285   0.934
   68    H4*    G   7           H4*        G   7  15.772  13.763   2.782
   69    H3*    G   7           H3*        G   7  17.497  11.264   2.444
   70    H2*    G   7           H2*        G   7  19.007  12.432   4.043
   71   2HO*    G   7          H2**        G   7  17.414  14.310   4.919
   72    H1*    G   7           H1*        G   7  17.048  12.471   5.788
   73    H8     G   7           H8         G   7  15.683   9.636   3.821
   74    H1     G   7           H1         G   7  20.608   7.883   7.480
   75   1H2     G   7          H21         G   7  21.765   9.842   8.209
   76   2H2     G   7          H22         G   7  21.117  11.416   7.838
   77   1H5*    U   8          H5*         U   8  20.109  14.354   2.846
   78   2H5*    U   8          H5**        U   8  21.266  14.361   1.497
   79    H4*    U   8           H4*        U   8  22.451  14.385   3.643
   80    H3*    U   8           H3*        U   8  22.677  11.730   2.136
   81    H2*    U   8           H2*        U   8  24.458  11.281   3.825
   82   2HO*    U   8          H2**        U   8  24.843  12.811   5.395
   83    H1*    U   8           H1*        U   8  22.711  11.744   5.773
   84    H3     U   8           H3         U   8  22.574   7.181   5.168
   85    H5     U   8           H5         U   8  19.554   8.751   2.731
   86    H6     U   8           H6         U   8  20.397  10.934   3.147
   87   1H5*    A   9          H5*         A   9  26.194  13.102   3.227
   88   2H5*    A   9          H5**        A   9  27.452  13.353   2.003
   89    H4*    A   9           H4*        A   9  28.204  12.102   4.032
   90    H3*    A   9           H3*        A   9  29.271  11.470   1.678
   91    H2*    A   9           H2*        A   9  27.138  10.304   1.078
   92   2HO*    A   9          H2**        A   9  29.026   8.281   1.686
   93    H1*    A   9           H1*        A   9  27.793   8.712   3.578
   94    H8     A   9           H8         A   9  24.518  10.126   1.972
   95   1H6     A   9          H61         A   9  22.489   4.267   2.403
   96   2H6     A   9          H62         A   9  22.036   5.899   1.958
   97    H2     A   9           H2         A   9  26.704   4.372   3.845
   98    H3T    A   9           H3T        A   9  30.163  10.856   3.714
   99   1H5*    U   1          H5*         U   1  26.071  -5.196   5.234
  100   2H5*    U   1          H5**        U   1  25.132  -4.323   4.006
  101    H4*    U   1           H4*        U   1  27.813  -3.427   5.122
  102    H3*    U   1           H3*        U   1  25.013  -2.290   5.628
  103    H2*    U   1           H2*        U   1  26.342  -0.289   6.216
  104   2HO*    U   1          H2**        U   1  28.176  -0.433   6.833
  105    H1*    U   1           H1*        U   1  27.678  -0.468   3.900
  106    H3     U   1           H3         U   1  24.671   2.927   3.430
  107    H5     U   1           H5         U   1  22.456  -0.539   2.648
  108    H6     U   1           H6         U   1  24.341  -1.847   3.339
  109    H5T    U   1           H5T        U   1  26.420  -5.984   3.121
  110   1H5*    A   2          H5*         A   2  28.015  -1.238   8.709
  111   2H5*    A   2          H5**        A   2  27.225  -1.065  10.292
  112    H4*    A   2           H4*        A   2  28.495   0.967   9.691
  113    H3*    A   2           H3*        A   2  25.464   1.361   9.649
  114    H2*    A   2           H2*        A   2  26.065   3.745   9.469
  115   2HO*    A   2          H2**        A   2  27.829   4.418  10.039
  116    H1*    A   2           H1*        A   2  27.518   3.242   7.326
  117    H8     A   2           H8         A   2  24.891   0.486   7.309
  118   1H6     A   2          H61         A   2  21.104   4.687   4.798
  119   2H6     A   2          H62         A   2  21.356   2.974   5.061
  120    H2     A   2           H2         A   2  24.811   6.808   6.098
  121   1H5*    C   3          H5*         C   3  27.436   4.392  11.859
  122   2H5*    C   3          H5**        C   3  26.608   4.715  13.398
  123    H4*    C   3           H4*        C   3  26.971   6.794  12.112
  124    H3*    C   3           H3*        C   3  24.041   5.939  12.331
  125    H2*    C   3           H2*        C   3  23.587   8.152  11.366
  126   2HO*    C   3          H2**        C   3  24.893   9.634  11.627
  127    H1*    C   3           H1*        C   3  25.270   7.712   9.366
  128   1H4     C   3          H41         C   3  19.876   5.203   7.203
  129   2H4     C   3          H42         C   3  20.443   3.600   7.603
  130    H5     C   3           H5         C   3  22.393   3.262   9.083
  131    H6     C   3           H6         C   3  24.265   4.352  10.147
  132   1H5*    U   4          H5*         U   4  25.351   9.678  13.288
  133   2H5*    U   4          H5**        U   4  25.009  10.419  14.857
  134    H4*    U   4           H4*        U   4  24.894  11.960  12.911
  135    H3*    U   4           H3*        U   4  23.283  12.302  14.991
  136    H2*    U   4           H2*        U   4  21.792  10.543  14.126
  137   2HO*    U   4          H2**        U   4  20.636  13.054  13.642
  138    H1*    U   4           H1*        U   4  21.661  12.232  11.610
  139    H3     U   4           H3         U   4  18.676   9.299   9.632
  140    H5     U   4           H5         U   4  20.947   6.873  12.192
  141    H6     U   4           H6         U   4  22.154   8.813  12.885
  142   1H5*    A   5          H5*         A   5  19.704  16.061  14.024
  143   2H5*    A   5          H5**        A   5  19.405  14.339  14.354
  144    H4*    A   5           H4*        A   5  18.935  15.729  11.698
  145    H3*    A   5           H3*        A   5  16.932  14.722  13.778
  146    H2*    A   5           H2*        A   5  15.410  14.701  11.835
  147   2HO*    A   5          H2**        A   5  17.023  16.477  10.833
  148    H1*    A   5           H1*        A   5  17.134  13.144  10.541
  149    H8     A   5           H8         A   5  18.019  12.152  13.999
  150   1H6     A   5          H61         A   5  14.507   8.871  14.766
  151   2H6     A   5          H62         A   5  12.910   8.655  14.099
  152    H2     A   5           H2         A   5  12.748  11.250  10.418
  153   1H5*    A   6          H5*         A   6  18.649  19.286   9.825
  154   2H5*    A   6          H5**        A   6  17.924  20.160  11.184
  155    H4*    A   6           H4*        A   6  16.687  20.702   9.242
  156    H3*    A   6           H3*        A   6  15.352  19.899  11.444
  157    H2*    A   6           H2*        A   6  15.585  17.565  10.548
  158   2HO*    A   6          H2**        A   6  12.977  18.538  10.392
  159    H1*    A   6           H1*        A   6  14.309  18.854   8.110
  160    H8     A   6           H8         A   6  16.979  16.132   8.585
  161   1H6     A   6          H61         A   6  13.266  12.421   5.318
  162   2H6     A   6          H62         A   6  14.670  12.419   6.346
  163    H2     A   6           H2         A   6  11.099  16.252   5.992
  164   1H5*    C   7          H5*         C   7  12.125  19.589   8.252
  165   2H5*    C   7          H5**        C   7  10.678  20.479   8.768
  166    H4*    C   7           H4*        C   7  10.088  18.325   7.928
  167    H3*    C   7           H3*        C   7   9.645  18.154  10.992
  168    H2*    C   7           H2*        C   7   8.385  16.258  10.289
  169   2HO*    C   7          H2**        C   7   9.103  16.876   7.638
  170    H1*    C   7           H1*        C   7  10.402  15.373   8.799
  171   1H4     C   7          H41         C   7  11.930  12.690  14.378
  172   2H4     C   7          H42         C   7  12.941  14.069  14.747
  173    H5     C   7           H5         C   7  13.151  15.959  13.271
  174    H6     C   7           H6         C   7  12.321  17.024  11.281
  175   1H5*    A   8          H5*         A   8   5.760  19.592   9.457
  176   2H5*    A   8          H5**        A   8   4.652  20.091  10.750
  177    H4*    A   8           H4*        A   8   4.349  17.720   9.897
  178    H3*    A   8           H3*        A   8   5.144  17.961  12.849
  179    H2*    A   8           H2*        A   8   4.708  15.519  12.823
  180   2HO*    A   8          H2**        A   8   3.412  14.787  11.572
  181    H1*    A   8           H1*        A   8   6.426  15.233  10.745
  182    H8     A   8           H8         A   8   7.873  18.067  12.655
  183   1H6     A   8          H61         A   8  10.339  13.736  16.359
  184   2H6     A   8          H62         A   8  10.345  15.441  15.956
  185    H2     A   8           H2         A   8   7.345  11.738  13.719
  186   1H5*    C   9          H5*         C   9   1.566  15.509  11.992
  187   2H5*    C   9          H5**        C   9   0.318  15.704  13.243
  188    H4*    C   9           H4*        C   9   0.923  13.334  12.958
  189    H3*    C   9           H3*        C   9   1.818  14.563  15.614
  190    H2*    C   9           H2*        C   9   2.403  12.222  16.215
  191   2HO*    C   9          H2**        C   9   1.496  11.578  13.621
  192    H1*    C   9           H1*        C   9   3.947  12.029  14.091
  193   1H4     C   9          H41         C   9   7.956  15.336  17.758
  194   2H4     C   9          H42         C   9   7.293  16.840  17.157
  195    H5     C   9           H5         C   9   5.308  16.930  15.769
  196    H6     C   9           H6         C   9   3.649  15.627  14.604
  197   1H5*    C  10          H5*         C  10   0.101  11.075  16.132
  198   2H5*    C  10          H5**        C  10  -1.318  10.936  17.184
  199    H4*    C  10           H4*        C  10   0.466   9.233  17.598
  200    H3*    C  10           H3*        C  10  -0.959  10.119  19.666
  201    H2*    C  10           H2*        C  10   0.352  12.250  19.593
  202   2HO*    C  10          H2**        C  10   1.408  12.281  21.630
  203    H1*    C  10           H1*        C  10   2.668  10.326  19.975
  204   1H4     C  10          H41         C  10   6.240  15.557  20.173
  205   2H4     C  10          H42         C  10   5.352  16.330  18.874
  206    H5     C  10           H5         C  10   3.342  15.317  17.905
  207    H6     C  10           H6         C  10   1.919  13.351  17.906
  208    H3T    C  10           H3T        C  10   0.411   8.973  21.061
  Start of MODEL    8
    1   1H5*    G   1          H5*         G   1  13.102  14.085  27.382
    2   2H5*    G   1          H5**        G   1  13.071  13.850  29.145
    3    H4*    G   1           H4*        G   1  11.803  11.786  28.884
    4    H3*    G   1           H3*        G   1  11.888  12.360  25.876
    5    H2*    G   1           H2*        G   1   9.855  10.923  25.909
    6   2HO*    G   1          H2**        G   1  10.237  10.823  28.709
    7    H1*    G   1           H1*        G   1   8.756  12.597  27.639
    8    H8     G   1           H8         G   1  11.157  14.947  25.984
    9    H1     G   1           H1         G   1   6.087  13.573  22.324
   10   1H2     G   1          H21         G   1   5.006  11.829  23.157
   11   2H2     G   1          H22         G   1   5.456  11.041  24.661
   12    H5T    G   1           H5T        G   1  13.930  11.772  27.572
   13   1H5*    G   2          H5*         G   2  10.465   8.588  26.232
   14   2H5*    G   2          H5**        G   2  11.319   7.450  25.169
   15    H4*    G   2           H4*        G   2   8.871   7.405  24.785
   16    H3*    G   2           H3*        G   2  10.462   8.615  22.466
   17    H2*    G   2           H2*        G   2   8.334   8.395  21.268
   18   2HO*    G   2          H2**        G   2   6.943   7.113  21.814
   19    H1*    G   2           H1*        G   2   7.053   9.670  23.196
   20    H8     G   2           H8         G   2  10.415  11.348  23.290
   21    H1     G   2           H1         G   2   6.799  13.071  18.299
   22   1H2     G   2          H21         G   2   4.975  11.534  18.113
   23   2H2     G   2          H22         G   2   4.770  10.313  19.336
   24   1H5*    U   3          H5*         U   3   7.615   5.490  21.574
   25   2H5*    U   3          H5**        U   3   8.299   4.300  20.448
   26    H4*    U   3           H4*        U   3   6.067   5.008  19.713
   27    H3*    U   3           H3*        U   3   8.353   6.004  17.947
   28    H2*    U   3           H2*        U   3   6.519   6.554  16.368
   29   2HO*    U   3          H2**        U   3   4.805   5.547  18.377
   30    H1*    U   3           H1*        U   3   5.330   8.001  18.257
   31    H3     U   3           H3         U   3   7.750  11.262  16.088
   32    H5     U   3           H5         U   3  10.373   9.618  18.904
   33    H6     U   3           H6         U   3   8.783   7.907  19.351
   34   1H5*    G   4          H5*         G   4   5.655   3.755  15.420
   35   2H5*    G   4          H5**        G   4   6.636   2.660  14.416
   36    H4*    G   4           H4*        G   4   5.256   4.118  12.983
   37    H3*    G   4           H3*        G   4   8.260   4.693  12.981
   38    H2*    G   4           H2*        G   4   7.808   6.271  11.212
   39   2HO*    G   4          H2**        G   4   6.371   5.842   9.950
   40    H1*    G   4           H1*        G   4   5.799   7.428  12.544
   41    H8     G   4           H8         G   4   8.373   6.251  15.117
   42    H1     G   4           H1         G   4   9.594  12.001  12.599
   43   1H2     G   4          H21         G   4   8.135  12.342  10.739
   44   2H2     G   4          H22         G   4   6.905  11.163  10.381
   45    HN1  PSU   5           HN1      PSU   5  11.305   5.533  12.117
   46    HN3  PSU   5           HN3      PSU   5  11.214   9.605  11.637
   47    H6   PSU   5           H6       PSU   5   9.899   5.275  10.029
   48    H1*  PSU   5           H1*      PSU   5   8.530   8.292   8.332
   49    H2*  PSU   5           H2*      PSU   5  10.585   7.240   7.070
   50   *HO2  PSU   5          *HO2      PSU   5   8.946   8.404   6.077
   51    H3*  PSU   5           H3*      PSU   5  10.157   5.003   7.883
   52    H4*  PSU   5           H4*      PSU   5   7.272   5.378   6.930
   53   1H5*  PSU   5          1H5*      PSU   5   7.833   3.154   7.886
   54   2H5*  PSU   5          1H5*      PSU   5   6.687   4.046   8.917
   55   1H5*    A   6          H5*         A   6   9.585   7.124   4.341
   56   2H5*    A   6          H5**        A   6  10.586   6.751   2.923
   57    H4*    A   6           H4*        A   6  10.613   9.171   3.564
   58    H3*    A   6           H3*        A   6  13.303   7.746   3.859
   59    H2*    A   6           H2*        A   6  14.140  10.059   4.226
   60   2HO*    A   6          H2**        A   6  12.510  11.730   4.347
   61    H1*    A   6           H1*        A   6  12.556  10.261   6.320
   62    H8     A   6           H8         A   6  12.577   6.553   6.078
   63   1H6     A   6          H61         A   6  18.104   6.457   8.770
   64   2H6     A   6          H62         A   6  16.690   5.535   8.322
   65    H2     A   6           H2         A   6  17.205  10.725   7.697
   66   1H5*    G   7          H5*         G   7  13.904  11.408   2.190
   67   2H5*    G   7          H5**        G   7  14.936  11.362   0.746
   68    H4*    G   7           H4*        G   7  15.779  12.960   2.432
   69    H3*    G   7           H3*        G   7  17.582  10.508   2.053
   70    H2*    G   7           H2*        G   7  19.178  11.866   3.374
   71   2HO*    G   7          H2**        G   7  18.335  13.923   2.591
   72    H1*    G   7           H1*        G   7  17.431  11.958   5.334
   73    H8     G   7           H8         G   7  16.107   8.908   3.611
   74    H1     G   7           H1         G   7  21.344   7.719   7.079
   75   1H2     G   7          H21         G   7  22.347   9.795   7.699
   76   2H2     G   7          H22         G   7  21.605  11.293   7.207
   77   1H5*    U   8          H5*         U   8  20.025  13.825   1.956
   78   2H5*    U   8          H5**        U   8  21.005  13.777   0.474
   79    H4*    U   8           H4*        U   8  22.449  14.030   2.440
   80    H3*    U   8           H3*        U   8  22.605  11.272   1.116
   81    H2*    U   8           H2*        U   8  24.562  10.989   2.554
   82   2HO*    U   8          H2**        U   8  25.609  12.595   2.950
   83    H1*    U   8           H1*        U   8  23.157  11.645   4.705
   84    H3     U   8           H3         U   8  23.376   7.052   4.552
   85    H5     U   8           H5         U   8  19.911   8.091   2.436
   86    H6     U   8           H6         U   8  20.568  10.370   2.532
   87   1H5*    A   9          H5*         A   9  26.439  13.428   0.944
   88   2H5*    A   9          H5**        A   9  27.368  13.000  -0.512
   89    H4*    A   9           H4*        A   9  28.634  12.528   1.544
   90    H3*    A   9           H3*        A   9  27.745  10.001   0.079
   91    H2*    A   9           H2*        A   9  29.328   8.901   1.631
   92   2HO*    A   9          H2**        A   9  30.308  10.164   3.211
   93    H1*    A   9           H1*        A   9  27.925   9.867   3.662
   94    H8     A   9           H8         A   9  25.322   9.986   0.921
   95   1H6     A   9          H61         A   9  24.243   4.012   2.141
   96   2H6     A   9          H62         A   9  23.632   5.446   1.346
   97    H2     A   9           H2         A   9  27.942   5.219   4.358
   98    H3T    A   9           H3T        A   9  29.816  10.140  -0.770
   99   1H5*    U   1          H5*         U   1  28.806  -3.834   4.043
  100   2H5*    U   1          H5**        U   1  30.562  -3.970   3.788
  101    H4*    U   1           H4*        U   1  30.970  -2.120   5.320
  102    H3*    U   1           H3*        U   1  27.923  -1.906   5.581
  103    H2*    U   1           H2*        U   1  28.534   0.374   6.282
  104   2HO*    U   1          H2**        U   1  30.284   0.801   7.029
  105    H1*    U   1           H1*        U   1  30.142   0.623   4.116
  106    H3     U   1           H3         U   1  26.492   3.233   3.363
  107    H5     U   1           H5         U   1  25.204  -0.643   2.414
  108    H6     U   1           H6         U   1  27.281  -1.491   3.263
  109    H5T    U   1           H5T        U   1  29.605  -3.969   6.361
  110   1H5*    A   2          H5*         A   2  30.208  -0.056   8.800
  111   2H5*    A   2          H5**        A   2  29.311  -0.099  10.334
  112    H4*    A   2           H4*        A   2  29.982   2.202   9.751
  113    H3*    A   2           H3*        A   2  26.971   1.739   9.506
  114    H2*    A   2           H2*        A   2  26.917   4.195   9.367
  115   2HO*    A   2          H2**        A   2  28.345   5.300  10.121
  116    H1*    A   2           H1*        A   2  28.671   4.159   7.378
  117    H8     A   2           H8         A   2  26.715   0.907   7.031
  118   1H6     A   2          H61         A   2  22.311   4.369   4.359
  119   2H6     A   2          H62         A   2  22.879   2.728   4.595
  120    H2     A   2           H2         A   2  25.368   7.129   6.057
  121   1H5*    C   3          H5*         C   3  28.240   5.082  11.972
  122   2H5*    C   3          H5**        C   3  27.252   5.182  13.446
  123    H4*    C   3           H4*        C   3  27.357   7.364  12.309
  124    H3*    C   3           H3*        C   3  24.620   6.007  12.170
  125    H2*    C   3           H2*        C   3  23.873   8.194  11.338
  126   2HO*    C   3          H2**        C   3  24.840   9.826  11.918
  127    H1*    C   3           H1*        C   3  25.761   8.200   9.473
  128   1H4     C   3          H41         C   3  20.991   4.973   6.789
  129   2H4     C   3          H42         C   3  21.743   3.456   7.220
  130    H5     C   3           H5         C   3  23.538   3.364   8.918
  131    H6     C   3           H6         C   3  25.146   4.680  10.152
  132   1H5*    U   4          H5*         U   4  24.900   9.910  13.624
  133   2H5*    U   4          H5**        U   4  24.256  10.155  15.255
  134    H4*    U   4           H4*        U   4  23.758  12.014  13.705
  135    H3*    U   4           H3*        U   4  21.988  11.238  15.537
  136    H2*    U   4           H2*        U   4  21.250   9.431  14.073
  137   2HO*    U   4          H2**        U   4  19.387  11.430  14.439
  138    H1*    U   4           H1*        U   4  20.770  11.627  12.035
  139    H3     U   4           H3         U   4  19.047   8.723   8.956
  140    H5     U   4           H5         U   4  21.627   6.310  11.236
  141    H6     U   4           H6         U   4  22.154   8.228  12.558
  142   1H5*    A   5          H5*         A   5  18.097  14.790  14.714
  143   2H5*    A   5          H5**        A   5  17.110  13.323  14.636
  144    H4*    A   5           H4*        A   5  19.365  14.023  12.718
  145    H3*    A   5           H3*        A   5  17.153  15.473  12.481
  146    H2*    A   5           H2*        A   5  15.803  13.398  12.996
  147   2HO*    A   5          H2**        A   5  14.905  14.790  11.262
  148    H1*    A   5           H1*        A   5  17.342  12.531  10.522
  149    H8     A   5           H8         A   5  17.544   9.823  12.903
  150   1H6     A   5          H61         A   5  14.240   6.810  10.971
  151   2H6     A   5          H62         A   5  12.961   7.029   9.797
  152    H2     A   5           H2         A   5  13.064  11.306   8.512
  153   1H5*    A   6          H5*         A   6  18.570  18.433   8.813
  154   2H5*    A   6          H5**        A   6  18.460  18.966  10.507
  155    H4*    A   6           H4*        A   6  16.768  20.052   9.089
  156    H3*    A   6           H3*        A   6  16.094  19.249  11.536
  157    H2*    A   6           H2*        A   6  15.890  16.959  10.714
  158   2HO*    A   6          H2**        A   6  13.184  17.299  10.649
  159    H1*    A   6           H1*        A   6  13.874  18.072   8.739
  160    H8     A   6           H8         A   6  16.452  15.303   9.460
  161   1H6     A   6          H61         A   6  14.580  11.806   6.523
  162   2H6     A   6          H62         A   6  13.347  11.888   5.314
  163    H2     A   6           H2         A   6  11.500  15.937   5.415
  164   1H5*    C   7          H5*         C   7  12.346  19.604   8.927
  165   2H5*    C   7          H5**        C   7  11.107  20.577   9.743
  166    H4*    C   7           H4*        C   7  10.130  18.729   8.503
  167    H3*    C   7           H3*        C   7   9.758  18.230  11.548
  168    H2*    C   7           H2*        C   7   8.260  16.597  10.739
  169   2HO*    C   7          H2**        C   7   7.353  17.634   9.092
  170    H1*    C   7           H1*        C   7  10.075  15.551   9.117
  171   1H4     C   7          H41         C   7  11.484  12.679  14.632
  172   2H4     C   7          H42         C   7  12.534  14.007  15.076
  173    H5     C   7           H5         C   7  12.687  16.044  13.781
  174    H6     C   7           H6         C   7  11.939  17.193  11.795
  175   1H5*    A   8          H5*         A   8   6.125  20.409  10.267
  176   2H5*    A   8          H5**        A   8   5.129  20.957  11.629
  177    H4*    A   8           H4*        A   8   4.432  18.749  10.607
  178    H3*    A   8           H3*        A   8   5.356  18.617  13.526
  179    H2*    A   8           H2*        A   8   4.516  16.292  13.348
  180   2HO*    A   8          H2**        A   8   3.050  15.914  12.130
  181    H1*    A   8           H1*        A   8   6.101  15.898  11.172
  182    H8     A   8           H8         A   8   8.068  18.284  13.226
  183   1H6     A   8          H61         A   8   9.859  13.338  16.510
  184   2H6     A   8          H62         A   8  10.103  15.055  16.258
  185    H2     A   8           H2         A   8   6.475  12.074  13.877
  186   1H5*    C   9          H5*         C   9   1.369  16.900  12.828
  187   2H5*    C   9          H5**        C   9   0.263  17.249  14.177
  188    H4*    C   9           H4*        C   9   0.438  14.823  13.791
  189    H3*    C   9           H3*        C   9   1.731  15.793  16.391
  190    H2*    C   9           H2*        C   9   1.947  13.359  16.884
  191   2HO*    C   9          H2**        C   9   1.266  11.900  15.344
  192    H1*    C   9           H1*        C   9   3.276  12.999  14.639
  193   1H4     C   9          H41         C   9   8.040  15.443  18.072
  194   2H4     C   9          H42         C   9   7.607  17.059  17.557
  195    H5     C   9           H5         C   9   5.586  17.534  16.305
  196    H6     C   9           H6         C   9   3.650  16.572  15.235
  197   1H5*    C  10          H5*         C  10  -0.521  12.647  16.988
  198   2H5*    C  10          H5**        C  10  -1.856  12.716  18.152
  199    H4*    C  10           H4*        C  10  -0.360  10.724  18.385
  200    H3*    C  10           H3*        C  10  -1.455  11.766  20.578
  201    H2*    C  10           H2*        C  10   0.187  13.654  20.436
  202   2HO*    C  10          H2**        C  10   1.379  13.451  22.384
  203    H1*    C  10           H1*        C  10   2.167  11.361  20.600
  204   1H4     C  10          H41         C  10   6.579  15.910  20.604
  205   2H4     C  10          H42         C  10   5.741  16.857  19.390
  206    H5     C  10           H5         C  10   3.544  16.200  18.528
  207    H6     C  10           H6         C  10   1.812  14.503  18.611
  208    H3T    C  10           H3T        C  10  -0.215  10.356  21.832
  Start of MODEL    9
    1   1H5*    G   1          H5*         G   1  13.376  14.527  26.986
    2   2H5*    G   1          H5**        G   1  13.354  14.360  28.757
    3    H4*    G   1           H4*        G   1  12.141  12.249  28.578
    4    H3*    G   1           H3*        G   1  12.199  12.712  25.553
    5    H2*    G   1           H2*        G   1  10.219  11.182  25.674
    6   2HO*    G   1          H2**        G   1  10.994  10.031  27.569
    7    H1*    G   1           H1*        G   1   9.068  12.932  27.288
    8    H8     G   1           H8         G   1  11.460  15.233  25.546
    9    H1     G   1           H1         G   1   6.472  13.590  21.884
   10   1H2     G   1          H21         G   1   5.395  11.884  22.797
   11   2H2     G   1          H22         G   1   5.838  11.175  24.341
   12    H5T    G   1           H5T        G   1  14.276  12.253  27.255
   13   1H5*    G   2          H5*         G   2  10.975   8.860  26.150
   14   2H5*    G   2          H5**        G   2  11.866   7.726  25.113
   15    H4*    G   2           H4*        G   2   9.428   7.472  24.868
   16    H3*    G   2           H3*        G   2  10.764   8.652  22.381
   17    H2*    G   2           H2*        G   2   8.564   8.114  21.360
   18   2HO*    G   2          H2**        G   2   7.782   7.261  23.936
   19    H1*    G   2           H1*        G   2   7.377   9.587  23.168
   20    H8     G   2           H8         G   2  10.698  11.271  23.186
   21    H1     G   2           H1         G   2   7.188  12.720  18.038
   22   1H2     G   2          H21         G   2   5.388  11.153  17.879
   23   2H2     G   2          H22         G   2   5.149   9.997  19.159
   24   1H5*    U   3          H5*         U   3   8.115   5.525  21.515
   25   2H5*    U   3          H5**        U   3   8.920   4.306  20.503
   26    H4*    U   3           H4*        U   3   6.750   4.906  19.543
   27    H3*    U   3           H3*        U   3   9.138   5.961  17.944
   28    H2*    U   3           H2*        U   3   7.418   6.369  16.209
   29   2HO*    U   3          H2**        U   3   5.291   5.898  16.683
   30    H1*    U   3           H1*        U   3   6.018   7.820  17.947
   31    H3     U   3           H3         U   3   8.528  11.066  15.856
   32    H5     U   3           H5         U   3  10.892   9.688  19.025
   33    H6     U   3           H6         U   3   9.333   7.937  19.391
   34   1H5*    G   4          H5*         G   4   6.766   3.327  15.437
   35   2H5*    G   4          H5**        G   4   7.849   2.257  14.520
   36    H4*    G   4           H4*        G   4   6.341   3.473  13.007
   37    H3*    G   4           H3*        G   4   9.284   4.300  12.856
   38    H2*    G   4           H2*        G   4   8.611   5.689  10.991
   39   2HO*    G   4          H2**        G   4   6.037   4.541  11.354
   40    H1*    G   4           H1*        G   4   6.609   6.813  12.317
   41    H8     G   4           H8         G   4   9.194   5.915  14.936
   42    H1     G   4           H1         G   4  10.143  11.663  12.311
   43   1H2     G   4          H21         G   4   8.750  11.877  10.386
   44   2H2     G   4          H22         G   4   7.591  10.630  10.015
   45    HN1  PSU   5           HN1      PSU   5  12.765   4.896  11.012
   46    HN3  PSU   5           HN3      PSU   5  13.117   8.780   9.749
   47    H6   PSU   5           H6       PSU   5  10.544   4.731   9.809
   48    H1*  PSU   5           H1*      PSU   5   8.858   7.659   8.501
   49    H2*  PSU   5           H2*      PSU   5  10.422   6.896   6.512
   50   *HO2  PSU   5          *HO2      PSU   5   8.356   6.494   5.313
   51    H3*  PSU   5           H3*      PSU   5  10.516   4.617   7.297
   52    H4*  PSU   5           H4*      PSU   5   7.449   4.733   7.187
   53   1H5*  PSU   5          1H5*      PSU   5   7.444   3.242   9.090
   54   2H5*  PSU   5          2H5*      PSU   5   8.438   2.494   7.819
   55   1H5*    A   6          H5*         A   6   9.205   7.088   3.968
   56   2H5*    A   6          H5**        A   6  10.264   6.932   2.555
   57    H4*    A   6           H4*        A   6  10.157   9.257   3.479
   58    H3*    A   6           H3*        A   6  12.908   7.943   3.670
   59    H2*    A   6           H2*        A   6  13.622  10.186   4.446
   60   2HO*    A   6          H2**        A   6  12.052  11.809   4.677
   61    H1*    A   6           H1*        A   6  11.978  10.011   6.496
   62    H8     A   6           H8         A   6  12.468   6.428   5.222
   63   1H6     A   6          H61         A   6  17.293   6.012   9.037
   64   2H6     A   6          H62         A   6  16.205   5.150   7.975
   65    H2     A   6           H2         A   6  15.860  10.270   9.097
   66   1H5*    G   7          H5*         G   7  13.377  11.840   2.419
   67   2H5*    G   7          H5**        G   7  14.562  12.002   1.105
   68    H4*    G   7           H4*        G   7  15.156  13.419   3.032
   69    H3*    G   7           H3*        G   7  17.054  11.057   2.647
   70    H2*    G   7           H2*        G   7  18.441  12.331   4.296
   71   2HO*    G   7          H2**        G   7  16.825  14.015   5.270
   72    H1*    G   7           H1*        G   7  16.459  12.176   6.000
   73    H8     G   7           H8         G   7  15.439   9.235   3.971
   74    H1     G   7           H1         G   7  20.405   7.958   7.781
   75   1H2     G   7          H21         G   7  21.327  10.018   8.570
   76   2H2     G   7          H22         G   7  20.518  11.516   8.207
   77   1H5*    U   8          H5*         U   8  19.334  14.428   3.018
   78   2H5*    U   8          H5**        U   8  20.577  14.516   1.749
   79    H4*    U   8           H4*        U   8  21.584  14.718   3.968
   80    H3*    U   8           H3*        U   8  22.214  12.062   2.587
   81    H2*    U   8           H2*        U   8  23.898  11.889   4.438
   82   2HO*    U   8          H2**        U   8  22.839  14.358   5.300
   83    H1*    U   8           H1*        U   8  21.949  12.124   6.194
   84    H3     U   8           H3         U   8  22.421   7.576   5.530
   85    H5     U   8           H5         U   8  19.420   8.831   2.895
   86    H6     U   8           H6         U   8  19.963  11.082   3.395
   87   1H5*    A   9          H5*         A   9  25.461  13.836   3.799
   88   2H5*    A   9          H5**        A   9  26.819  14.122   2.696
   89    H4*    A   9           H4*        A   9  27.416  13.060   4.889
   90    H3*    A   9           H3*        A   9  28.833  12.406   2.727
   91    H2*    A   9           H2*        A   9  26.935  10.998   1.939
   92   2HO*    A   9          H2**        A   9  27.966   8.752   2.641
   93    H1*    A   9           H1*        A   9  27.342   9.619   4.608
   94    H8     A   9           H8         A   9  24.033  10.644   2.839
   95   1H6     A   9          H61         A   9  23.080   4.514   2.396
   96   2H6     A   9          H62         A   9  22.355   6.084   2.119
   97    H2     A   9           H2         A   9  27.164   5.159   4.046
   98    H3T    A   9           H3T        A   9  28.682  10.726   5.013
   99   1H5*    U   1          H5*         U   1  28.664  -4.342   4.896
  100   2H5*    U   1          H5**        U   1  27.484  -3.764   3.703
  101    H4*    U   1           H4*        U   1  29.774  -2.122   4.834
  102    H3*    U   1           H3*        U   1  26.764  -1.872   5.362
  103    H2*    U   1           H2*        U   1  27.462   0.385   6.048
  104   2HO*    U   1          H2**        U   1  29.268   0.773   6.677
  105    H1*    U   1           H1*        U   1  28.961   0.627   3.786
  106    H3     U   1           H3         U   1  25.452   3.480   3.364
  107    H5     U   1           H5         U   1  23.861  -0.254   2.343
  108    H6     U   1           H6         U   1  25.925  -1.270   3.038
  109    H5T    U   1           H5T        U   1  29.222  -3.416   2.269
  110   1H5*    A   2          H5*         A   2  29.371  -0.104   8.461
  111   2H5*    A   2          H5**        A   2  28.571  -0.179  10.045
  112    H4*    A   2           H4*        A   2  29.261   2.121   9.489
  113    H3*    A   2           H3*        A   2  26.224   1.769   9.401
  114    H2*    A   2           H2*        A   2  26.285   4.236   9.384
  115   2HO*    A   2          H2**        A   2  27.801   5.232  10.093
  116    H1*    A   2           H1*        A   2  27.892   4.199   7.282
  117    H8     A   2           H8         A   2  25.767   1.062   6.924
  118   1H6     A   2          H61         A   2  21.331   4.863   4.840
  119   2H6     A   2          H62         A   2  21.828   3.185   4.942
  120    H2     A   2           H2         A   2  24.639   7.382   6.428
  121   1H5*    C   3          H5*         C   3  27.645   4.915  11.946
  122   2H5*    C   3          H5**        C   3  26.722   5.019  13.460
  123    H4*    C   3           H4*        C   3  26.932   7.210  12.362
  124    H3*    C   3           H3*        C   3  24.071   6.122  12.342
  125    H2*    C   3           H2*        C   3  23.544   8.451  11.613
  126   2HO*    C   3          H2**        C   3  26.336   8.869  11.699
  127    H1*    C   3           H1*        C   3  25.207   8.183   9.586
  128   1H4     C   3          H41         C   3  20.071   5.218   7.328
  129   2H4     C   3          H42         C   3  20.829   3.674   7.630
  130    H5     C   3           H5         C   3  22.823   3.480   9.076
  131    H6     C   3           H6         C   3  24.563   4.714  10.190
  132   1H5*    U   4          H5*         U   4  24.596   9.928  13.387
  133   2H5*    U   4          H5**        U   4  24.112  10.438  15.011
  134    H4*    U   4           H4*        U   4  23.577  12.066  13.221
  135    H3*    U   4           H3*        U   4  21.960  11.697  15.301
  136    H2*    U   4           H2*        U   4  20.917   9.775  14.212
  137   2HO*    U   4          H2**        U   4  19.020  11.727  13.534
  138    H1*    U   4           H1*        U   4  20.432  11.662  11.887
  139    H3     U   4           H3         U   4  18.099   8.409   9.640
  140    H5     U   4           H5         U   4  20.941   6.246  11.843
  141    H6     U   4           H6         U   4  21.725   8.313  12.757
  142   1H5*    A   5          H5*         A   5  18.271  15.503  14.377
  143   2H5*    A   5          H5**        A   5  17.206  14.089  14.383
  144    H4*    A   5           H4*        A   5  19.449  14.578  12.392
  145    H3*    A   5           H3*        A   5  17.350  16.131  12.081
  146    H2*    A   5           H2*        A   5  15.880  14.371  12.828
  147   2HO*    A   5          H2**        A   5  15.356  14.281  10.069
  148    H1*    A   5           H1*        A   5  16.907  12.619  10.556
  149    H8     A   5           H8         A   5  17.418  11.357  14.023
  150   1H6     A   5          H61         A   5  12.145   8.225  13.569
  151   2H6     A   5          H62         A   5  13.720   8.298  14.311
  152    H2     A   5           H2         A   5  12.394  11.005  10.002
  153   1H5*    A   6          H5*         A   6  19.550  18.536   8.579
  154   2H5*    A   6          H5**        A   6  19.139  19.563   9.961
  155    H4*    A   6           H4*        A   6  17.438  19.781   8.280
  156    H3*    A   6           H3*        A   6  16.794  19.111  10.917
  157    H2*    A   6           H2*        A   6  16.451  16.894  10.237
  158   2HO*    A   6          H2**        A   6  14.537  16.431  10.663
  159    H1*    A   6           H1*        A   6  14.975  18.051   7.850
  160    H8     A   6           H8         A   6  17.092  15.011   8.798
  161   1H6     A   6          H61         A   6  14.057  11.507   6.913
  162   2H6     A   6          H62         A   6  12.793  11.713   5.745
  163    H2     A   6           H2         A   6  11.540  15.966   5.715
  164   1H5*    C   7          H5*         C   7  11.819  20.179   9.433
  165   2H5*    C   7          H5**        C   7  12.778  19.049  10.417
  166    H4*    C   7           H4*        C   7  11.129  18.297   7.992
  167    H3*    C   7           H3*        C   7  10.325  17.779  10.942
  168    H2*    C   7           H2*        C   7   9.002  16.079   9.899
  169   2HO*    C   7          H2**        C   7  10.238  16.522   7.462
  170    H1*    C   7           H1*        C   7  11.147  15.091   8.691
  171   1H4     C   7          H41         C   7  12.061  12.349  14.340
  172   2H4     C   7          H42         C   7  13.159  13.638  14.789
  173    H5     C   7           H5         C   7  13.484  15.613  13.403
  174    H6     C   7           H6         C   7  12.846  16.723  11.368
  175   1H5*    A   8          H5*         A   8   6.735  19.599   9.277
  176   2H5*    A   8          H5**        A   8   5.641  20.223  10.529
  177    H4*    A   8           H4*        A   8   5.105  17.888   9.749
  178    H3*    A   8           H3*        A   8   5.991  18.107  12.676
  179    H2*    A   8           H2*        A   8   5.232  15.753  12.735
  180   2HO*    A   8          H2**        A   8   3.780  15.210  11.558
  181    H1*    A   8           H1*        A   8   6.837  15.197  10.603
  182    H8     A   8           H8         A   8   8.742  17.793  12.400
  183   1H6     A   8          H61         A   8  10.527  13.256  16.247
  184   2H6     A   8          H62         A   8  10.783  14.932  15.799
  185    H2     A   8           H2         A   8   7.198  11.686  13.715
  186   1H5*    C   9          H5*         C   9   2.052  16.246  12.069
  187   2H5*    C   9          H5**        C   9   0.906  16.705  13.350
  188    H4*    C   9           H4*        C   9   1.091  14.255  13.168
  189    H3*    C   9           H3*        C   9   2.302  15.435  15.721
  190    H2*    C   9           H2*        C   9   2.481  13.047  16.416
  191   2HO*    C   9          H2**        C   9   1.839  11.472  14.978
  192    H1*    C   9           H1*        C   9   3.879  12.501  14.242
  193   1H4     C   9          H41         C   9   8.531  15.131  17.678
  194   2H4     C   9          H42         C   9   8.177  16.703  16.991
  195    H5     C   9           H5         C   9   6.211  17.111  15.624
  196    H6     C   9           H6         C   9   4.298  16.098  14.558
  197   1H5*    C  10          H5*         C  10   0.013  12.352  16.479
  198   2H5*    C  10          H5**        C  10  -1.371  12.516  17.577
  199    H4*    C  10           H4*        C  10   0.097  10.545  18.031
  200    H3*    C  10           H3*        C  10  -1.074  11.775  20.083
  201    H2*    C  10           H2*        C  10   0.593  13.628  19.856
  202   2HO*    C  10          H2**        C  10   0.135  13.113  22.061
  203    H1*    C  10           H1*        C  10   2.543  11.342  20.286
  204   1H4     C  10          H41         C  10   7.012  15.829  20.033
  205   2H4     C  10          H42         C  10   6.203  16.701  18.746
  206    H5     C  10           H5         C  10   4.015  16.007  17.894
  207    H6     C  10           H6         C  10   2.261  14.335  18.065
  208    H3T    C  10           H3T        C  10  -0.139   9.658  20.169