*HEADER    RNA                                     30-NOV-06   2O32              
*TITLE     SOLUTION STRUCTURE OF U2 SNRNA STEM I FROM HUMAN,                     
*TITLE    2 CONTAINING MODIFIED NUCLEOTIDES                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*(PSU)P*CP*UP*CP*(OMG)P*(OMG)P*CP*CP*(PSU)            
*COMPND   3 P*UP*UP*UP*(OMG)P*GP*CP*UP*AP*AP*(OMG)P*A)-3';                       
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: HUMAN U2 SNRNA STEM I                                 
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    RNA, WOBBLE BASE-PAIRS, TETRALOOP                                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.G.SASHITAL, V.VENDITTI, C.G.ANGERS, G.CORNILESCU,                   
*AUTHOR   2 S.E.BUTCHER                                                          
*REVDAT   1   06-FEB-07 2O32    0                                                


{Non-exchangeable proton NOE restraints collected at 303K}
assign (residue 1 and name H6) (residue 1 and name H1') 4.0 2.2 0.8
assign (residue 1 and name H6) (residue 1 and name H2') 4.0 2.2 0.8
assign (residue 1 and name H6) (residue 1 and name H5'*) 4.5 2.7 0.9
assign (residue 2 and name H5) (residue 2 and name H1') 6.0 3.0 1.0
assign (residue 2 and name H5) (residue 2 and name H2') 6.0 3.0 1.0
assign (residue 2 and name H5) (residue 2 and name H5'') 6.0 3.0 1.0
assign (residue 2 and name H6) (residue 2 and name H1') 4.0 2.2 0.8
assign (residue 2 and name H6) (residue 2 and name H2') 4.0 2.2 1.0
assign (residue 2 and name H6) (residue 2 and name H5'') 6.0 3.0 1.0
assign (residue 2 and name H5) (residue 1 and name H6) 4.6 2.8 1.0
assign (residue 2 and name H5) (residue 1 and name H2') 2.1 0.3 0.4
assign (residue 2 and name H6) (residue 1 and name H6) 5.0 3.0 1.0
assign (residue 2 and name H6) (residue 1 and name H1') 4.5 2.7 0.9
assign (residue 2 and name H6) (residue 1 and name H2') 3.5 1.7 0.7
assign (residue 2 and name H1') (residue 1 and name H1') 6.0 3.0 1.0
assign (residue 2 and name H1') (residue 1 and name H2') 4.5 2.7 0.9
assign (residue 3 and name H6) (residue 3 and name H1') 4.0 2.2 0.8
assign (residue 3 and name H6) (residue 3 and name H2') 4.0 2.2 0.8
assign (residue 3 and name H6) (residue 3 and name H5'') 6.0 3.0 1.0
assign (residue 3 and name H5) (residue 2 and name H5) 4.6 2.8 1.0
assign (residue 3 and name H5) (residue 2 and name H6) 4.6 2.8 1.0
assign (residue 3 and name H5) (residue 2 and name H2') 3.5 1.7 0.9
assign (residue 3 and name H6) (residue 2 and name H6) 5.0 3.0 1.0
assign (residue 3 and name H6) (residue 2 and name H1') 4.5 2.7 0.9
assign (residue 3 and name H6) (residue 2 and name H2') 2.1 0.3 0.4
assign (residue 3 and name H1') (residue 2 and name H2') 4.0 2.7 0.9 
assign (residue 4 and name H5) (residue 4 and name H1') 6.0 3.0 1.0
assign (residue 4 and name H5) (residue 4 and name H5'') 6.0 3.0 1.0
assign (residue 4 and name H6) (residue 4 and name H1') 4.0 2.2 0.8
assign (residue 4 and name H6) (residue 4 and name H2') 4.0 2.2 0.8
assign (residue 4 and name H6) (residue 4 and name H5'') 6.0 3.0 1.0
assign (residue 4 and name H5) (residue 3 and name H5) 4.6 2.8 1.0
assign (residue 4 and name H5) (residue 3 and name H6) 4.6 2.8 1.0
assign (residue 4 and name H5) (residue 3 and name H1') 6.0 3.0 1.0
assign (residue 4 and name H5) (residue 3 and name H2') 3.5 1.7 0.7
assign (residue 4 and name H6) (residue 3 and name H1') 4.5 2.7 0.9
assign (residue 4 and name H6) (residue 3 and name H6) 5.0 3.0 1.0
assign (residue 4 and name H6) (residue 3 and name H2') 2.1 0.3 0.4
assign (residue 4 and name H1') (residue 3 and name H2') 4.5 2.7 0.9
assign (residue 5 and name H8) (residue 5 and name H1') 4.0 2.2 0.8
assign (residue 5 and name H8) (residue 5 and name H2') 4.0 2.2 0.8
assign (residue 5 and name H8) (residue 5 and name *HM2) 5.0 2.0 1.0
assign (residue 5 and name H1') (residue 5 and name *HM2) 3.5 1.7 0.7
assign (residue 5 and name H8) (residue 4 and name H6) 5.0 3.0 1.0
assign (residue 5 and name H8) (residue 4 and name H1') 4.5 2.7 0.9
assign (residue 5 and name H8) (residue 4 and name H2') 2.1 0.3 0.4
assign (residue 5 and name H1') (residue 4 and name H2') 4.5 2.7 0.9
assign (residue 6 and name H8) (residue 6 and name H1') 4.0 2.2 0.8
assign (residue 6 and name H8) (residue 6 and name H2') 4.0 2.2 0.8
assign (residue 6 and name H8) (residue 6 and name *HM2) 5.0 2.0 1.0
assign (residue 6 and name H8) (residue 6 and name H3') 4.0 2.2 0.9
assign (residue 6 and name H8) (residue 6 and name H5'*) 6.0 3.0 1.0
assign (residue 6 and name H1') (residue 6 and name *HM2) 2.1 0.3 0.4
assign (residue 6 and name H8) (residue 5 and name H8) 6.0 3.0 1.0
assign (residue 6 and name H8) (residue 5 and name H1') 4.5 2.7 0.9
assign (residue 6 and name H8) (residue 5 and name H2') 2.1 0.3 0.4 
assign (residue 6 and name H8) (residue 5 and name *HM2) 3.5 1.7 0.7
assign (residue 6 and name H1') (residue 5 and name H2') 4.5 2.7 0.9
assign (residue 6 and name H1') (residue 5 and name *HM2) 4.5 2.7 0.9
assign (residue 7 and name H5) (residue 7 and name H2') 4.5 2.8 0.9
assign (residue 7 and name H6) (residue 7 and name H1') 4.0 2.2 0.8
assign (residue 7 and name H6) (residue 7 and name H2') 4.5 2.7 0.9
assign (residue 7 and name H5) (residue 6 and name H1') 6.0 3.0 1.0
assign (residue 7 and name H5) (residue 6 and name H2') 3.5 1.7 0.7
assign (residue 7 and name H5) (residue 6 and name *HM2) 4.0 2.2 0.8
assign (residue 7 and name H5) (residue 6 and name H3') 5.0 2.0 1.0
assign (residue 7 and name H6) (residue 6 and name H8) 6.0 3.0 1.0
assign (residue 7 and name H6) (residue 6 and name H1') 4.5 2.7 0.9
assign (residue 7 and name H6) (residue 6 and name H2') 2.1 0.3 0.4
assign (residue 7 and name H6) (residue 6 and name *HM2) 3.5 1.7 0.7
assign (residue 7 and name H1') (residue 6 and name H2') 4.5 2.8 0.9
assign (residue 7 and name H1') (residue 6 and name *HM2) 4.5 2.7 0.9
assign (residue 8 and name H6) (residue 8 and name H1') 4.0 2.2 0.8
assign (residue 8 and name H6) (residue 8 and name H2') 4.6 2.8 1.0
assign (residue 8 and name H6) (residue 8 and name H3') 4.6 2.8 1.0
assign (residue 8 and name H6) (residue 8 and name H5'') 6.0 3.0 1.0
assign (residue 8 and name H5) (residue 7 and name H5) 4.6 2.8 1.0
assign (residue 8 and name H5) (residue 7 and name H6) 4.6 2.8 1.0
assign (residue 8 and name H5) (residue 7 and name H2') 3.5 1.7 0.7
assign (residue 8 and name H6) (residue 7 and name H1') 4.5 2.7 0.9
assign (residue 8 and name H6) (residue 7 and name H2') 2.1 0.3 0.4
assign (residue 8 and name H1') (residue 7 and name H2') 4.5 2.7 0.9
assign (residue 9 and name H6) (residue 9 and name H1') 6.0 3.0 1.0
assign (residue 9 and name H6) (residue 9 and name H2') 6.0 3.0 1.0
assign (residue 9 and name H6) (residue 9 and name H3') 4.6 2.8 1.0
assign (residue 9 and name H6) (residue 9 and name H5'*) 5.5 2.0 1.0
assign (residue 9 and name H6) (residue 8 and name H5) 6.0 3.0 1.0 
assign (residue 9 and name H6) (residue 8 and name H6) 4.6 2.8 1.0
assign (residue 9 and name H6) (residue 8 and name H1') 4.5 2.7 0.9
assign (residue 9 and name H6) (residue 8 and name H2') 2.1 0.3 0.4
assign (residue 9 and name H6) (residue 8 and name H3') 4.6 2.8 1.0
assign (residue 9 and name H1') (residue 8 and name H2') 4.0 2.8 0.9
assign (residue 9 and name H3') (residue 8 and name H1') 5.0 2.8 1.0
assign (residue 9 and name H3') (residue 8 and name H2') 3.5 1.7 0.7
assign (residue 9 and name H5') (residue 8 and name H2') 3.5 1.7 0.70
assign (residue 9 and name H5'') (residue 8 and name H2') 3.5 1.7 0.7
assign (residue 10 and name H5) (residue 10 and name H2') 5.0 2.0 1.0
assign (residue 10 and name H6) (residue 10 and name H1') 4.0 2.2 0.8
assign (residue 10 and name H6) (residue 10 and name H2') 4.0 2.2 0.8
assign (residue 10 and name H6) (residue 10 and name H3') 4.5 2.7 0.9
assign (residue 10 and name H5) (residue 9 and name H2') 5.0 3.0 1.0
assign (residue 10 and name H5) (residue 9 and name H3') 4.5 2.0 1.0
assign (residue 10 and name H5) (residue 9 and name H5') 6.0 3.0 1.0
assign (residue 10 and name H6) (residue 9 and name H6) 6.0 3.0 1.0 
assign (residue 10 and name H6) (residue 9 and name H2') 3.5 1.7 0.9
assign (residue 10 and name H6) (residue 9 and name H3') 4.5 2.7 0.9
assign (residue 11 and name H5) (residue 11 and name H2') 4.5 2.2 1.8
assign (residue 11 and name H5) (residue 11 and name H3') 4.5 2.2 1.8
assign (residue 11 and name H6) (residue 11 and name H1') 4.0 2.2 0.8
assign (residue 11 and name H6) (residue 11 and name H2') 4.0 2.2 0.8
assign (residue 11 and name H6) (residue 11 and name H3') 4.5 2.7 0.9
assign (residue 11 and name H6) (residue 11 and name H5'') 5.0 3.0 1.0
assign (residue 11 and name H5) (residue 9 and name H2') 4.0 2.2 0.8
assign (residue 11 and name H6) (residue 9 and name H2') 6.0 3.0 1.0
assign (residue 11 and name H5) (residue 10 and name H2') 4.0 2.2 0.8
assign (residue 12 and name H6) (residue 12 and name H2') 4.0 2.2 0.8
assign (residue 12 and name H6) (residue 12 and name H3') 4.5 2.7 0.9
assign (residue 12 and name H5) (residue 11 and name H5) 5.0 3.0 1.0
assign (residue 12 and name H5) (residue 11 and name H6) 5.0 3.0 1.0
assign (residue 12 and name H5) (residue 11 and name H1') 5.0 3.0 1.0
assign (residue 12 and name H5) (residue 11 and name H2') 4.6 2.8 1.2
assign (residue 12 and name H6) (residue 11 and name H2') 5.5 2.8 1.2
assign (residue 12 and name H6) (residue 11 and name H1') 4.5 2.7 0.9
assign (residue 12 and name H6) (residue 11 and name H2') 5.0 3.0 1.0
assign (residue 13 and name H8) (residue 13 and name H1') 4.0 2.2 0.8
assign (residue 13 and name H8) (residue 13 and name H2') 4.0 2.2 0.8
assign (residue 13 and name H8) (residue 13 and name H3') 4.5 2.7 0.9
assign (residue 13 and name H8) (residue 13 and name *HM2) 5.0 2.0 1.0
assign (residue 13 and name H1') (residue 11 and name H6) 6.0 3.0 1.0
assign (residue 13 and name H8) (residue 12 and name H1') 4.5 2.7 0.9
assign (residue 13 and name H3') (residue 12 and name H1') 4.5 2.7 0.9
assign (residue 14 and name H8) (residue 14 and name H1') 4.0 2.2 0.8
assign (residue 14 and name H8) (residue 14 and name H2') 4.0 2.2 0.8
assign (residue 14 and name H8) (residue 14 and name H3') 4.5 2.7 0.9
assign (residue 14 and name H8) (residue 13 and name H8) 6.0 3.0 1.0
assign (residue 14 and name H8) (residue 13 and name H1') 4.5 2.7 0.9
assign (residue 14 and name H8) (residue 13 and name H2') 2.1 0.3 0.4
assign (residue 14 and name H8) (residue 13 and name *HM2) 3.5 1.7 1.7
assign (residue 14 and name H1') (residue 13 and name *HM2) 2.5 0.7 0.5
assign (residue 14 and name H4') (residue 13 and name *HM2) 2.5 0.7 0.5
assign (residue 15 and name H6) (residue 15 and name H1') 4.0 2.2 0.8
assign (residue 15 and name H6) (residue 15 and name H2') 4.0 2.2 0.8
assign (residue 15 and name H6) (residue 15 and name H3') 4.0 2.2 0.8
assign (residue 15 and name H5) (residue 14 and name H2') 3.5 1.7 0.9
assign (residue 15 and name H5) (residue 14 and name H3') 6.0 3.0 1.0
assign (residue 15 and name H6) (residue 14 and name H1') 4.5 2.7 0.9
assign (residue 15 and name H6) (residue 14 and name H2') 2.1 0.3 0.4
assign (residue 15 and name H6) (residue 14 and name H8) 6.0 3.0 1.0
assign (residue 15 and name H1') (residue 14 and name H2') 5.0 3.0 1.0
assign (residue 16 and name H6) (residue 16 and name H1') 4.0 2.2 0.8
assign (residue 16 and name H6) (residue 16 and name H2') 4.0 2.2 0.8
assign (residue 16 and name H5) (residue 15 and name H5) 4.6 2.8 1.0 
assign (residue 16 and name H5) (residue 15 and name H6) 4.6 2.8 1.0 
assign (residue 16 and name H5) (residue 15 and name H3') 3.5 1.7 0.9
assign (residue 16 and name H6) (residue 15 and name H6) 4.6 2.8 1.0 
assign (residue 16 and name H6) (residue 15 and name H1') 4.5 2.7 0.9
assign (residue 16 and name H6) (residue 15 and name H2') 2.1 0.3 1.9
assign (residue 16 and name H1') (residue 15 and name H2') 4.5 2.7 0.9
assign (residue 17 and name H8) (residue 17 and name H1') 4.0 2.2 0.8
assign (residue 17 and name H8) (residue 17 and name H2') 4.0 2.2 0.8
assign (residue 17 and name H8) (residue 17 and name H3') 4.0 2.2 0.8
assign (residue 17 and name H8) (residue 16 and name H6) 6.0 3.0 1.0
assign (residue 17 and name H8) (residue 16 and name H1') 4.5 2.7 0.9
assign (residue 17 and name H8) (residue 16 and name H2') 2.1 0.3 0.4
assign (residue 17 and name H1') (residue 16 and name H2') 4.5 2.7 0.9
assign (residue 18 and name H8) (residue 18 and name H1') 4.0 2.2 0.8
assign (residue 18 and name H8) (residue 18 and name H2') 4.0 2.2 0.8
assign (residue 18 and name H8) (residue 18 and name H3') 4.0 2.2 0.8
assign (residue 18 and name H8) (residue 17 and name H8) 6.0 3.0 1.0
assign (residue 18 and name H8) (residue 17 and name H1') 4.5 2.7 0.9
assign (residue 18 and name H8) (residue 17 and name H2') 2.1 0.3 0.4
assign (residue 18 and name H1') (residue 17 and name H2') 4.5 2.7 0.9
assign (residue 19 and name H8) (residue 19 and name H1') 4.0 2.2 0.8
assign (residue 19 and name H8) (residue 19 and name H2') 4.0 2.2 0.8
assign (residue 19 and name H8) (residue 19 and name *HM2) 5.0 2.0 1.0
assign (residue 19 and name H1') (residue 19 and name *HM2) 2.1 0.3 0.4
assign (residue 19 and name H8) (residue 18 and name H8) 4.6 2.8 1.2
assign (residue 19 and name H8) (residue 18 and name H1') 4.5 2.7 0.9
assign (residue 19 and name H8) (residue 18 and name H2') 2.1 0.3 0.4
assign (residue 19 and name H1') (residue 18 and name H2') 4.5 2.7 0.9
assign (residue 20 and name H8) (residue 20 and name H1') 4.0 2.2 0.8
assign (residue 20 and name H8) (residue 20 and name H2') 4.0 2.2 0.8
assign (residue 20 and name H8) (residue 20 and name H3') 4.0 2.2 0.8
assign (residue 20 and name H8) (residue 20 and name H4') 5.0 2.0 1.0
assign (residue 20 and name H8) (residue 19 and name H8) 4.6 2.8 1.2
assign (residue 20 and name H8) (residue 19 and name H1') 4.5 2.7 0.9
assign (residue 20 and name H8) (residue 19 and name H2') 2.1 0.3 0.4
assign (residue 20 and name H8) (residue 19 and name *HM2) 3.5 1.7 0.7
assign (residue 20 and name H1') (residue 19 and name H2') 4.5 2.7 0.9
assign (residue 20 and name H1') (residue 19 and name *HM2) 4.5 2.7 0.9

{Adenine H2 NOE restraints)
assign (residue 17 and name H2) (residue 5 and name H1') 4.0 2.2 0.8
assign (residue 17 and name H2) (residue 18 and name H1') 4.0 2.2 0.8
assign (residue 18 and name H2) (residue 4 and name H1') 4.0 2.2 0.8
assign (residue 20 and name H2) (residue 2 and name H1') 4.0 2.2 0.8
assign (residue 20 and name H2) (residue 20 and name H1') 6.0 3.0 1.0

{Exchangeable proton NOE restraints from collected at 283K)
assign (residue 3 and name H3) (residue 2 and name H41) 5.0 2.0 1.0
assign (residue 3 and name H3) (residue 2 and name H42) 5.0 2.0 1.0
assign (residue 3 and name H3) (residue 4 and name H1') 4.6 2.8 1.0
assign (residue 3 and name H3) (residue 18 and name H2) 3.9 1.7 1.1
assign (residue 3 and name H3) (residue 18 and name H61) 3.9 1.7 1.1
assign (residue 3 and name H3) (residue 18 and name H62) 4.6 2.8 1.0
assign (residue 3 and name H3) (residue 19 and name H1) 4.6 2.8 1.0
assign (residue 3 and name H3) (residue 19 and name H21) 4.6 2.8 1.0
assign (residue 5 and name H1) (residue 5 and name *HM2) 4.6 2.8 1.0
assign (residue 5 and name H1) (residue 6 and name H1) 4.6 2.8 1.0
assign (residue 5 and name H1) (residue 6 and name H1') 4.6 2.8 1.0
assign (residue 5 and name H1) (residue 6 and name H2') 5.0 2.0 1.0
assign (residue 5 and name H1) (residue 6 and name H3') 6.0 3.0 1.0
assign (residue 5 and name H1) (residue 15 and name H41) 5.0 2.0 1.0
assign (residue 5 and name H1) (residue 15 and name H42) 5.0 2.0 1.0
assign (residue 5 and name H1) (residue 16 and name H3) 2.5 1.0 0.9
assign (residue 5 and name H1) (residue 16 and name H6) 6.0 3.0 1.0
assign (residue 5 and name H1) (residue 16 and name H1') 4.6 2.8 1.0
assign (residue 5 and name H1) (residue 17 and name H8) 4.6 2.8 1.0
assign (residue 5 and name H1) (residue 17 and name H1') 4.6 2.8 1.0
assign (residue 6 and name H1) (residue 6 and name *HM2) 5.0 2.0 1.0
assign (residue 6 and name H1) (residue 7 and name H5) 5.0 2.0 1.0
assign (residue 6 and name H1) (residue 7 and name H1') 4.6 2.8 1.0
assign (residue 6 and name H1) (residue 14 and name H1) 4.6 2.8 1.0
assign (residue 6 and name H1) (residue 15 and name H41) 3.9 1.7 1.1
assign (residue 6 and name H1) (residue 15 and name H42) 4.6 2.8 1.0
assign (residue 6 and name H1) (residue 15 and name H5) 5.0 2.0 1.0
assign (residue 6 and name H1) (residue 16 and name H3) 4.6 2.8 1.0
assign (residue 6 and name H1) (residue 16 and name H1') 4.6 2.8 1.0
assign (residue 7 and name H41) (residue 8 and name H41) 5.0 2.0 1.0 
assign (residue 9 and name H1) (residue 8 and name H41) 6.0 3.0 1.0
assign (residue 9 and name H1) (residue 8 and name H42) 6.0 3.0 1.0
assign (residue 9 and name H1) (residue 8 and name H5) 4.6 2.8 1.0
assign (residue 9 and name H1) (residue 8 and name H6) 5.0 2.0 1.0
assign (residue 9 and name H1) (residue 8 and name H1') 5.0 2.0 1.0
assign (residue 9 and name H1) (residue 9 and name H2') 5.0 2.0 1.0
assign (residue 9 and name H3) (residue 8 and name H41) 5.0 2.0 1.0
assign (residue 9 and name H3) (residue 8 and name H42) 5.0 2.0 1.0
assign (residue 9 and name H3) (residue 13 and name H1) 6.0 3.0 1.0
assign (residue 9 and name H3) (residue 13 and name H22) 5.0 2.0 1.0
assign (residue 13 and name H1) (residue 7 and name H41) 4.6 2.8 1.0
assign (residue 13 and name H1) (residue 8 and name H41) 3.9 1.7 1.1
assign (residue 13 and name H1) (residue 8 and name H42) 4.6 2.8 1.0
assign (residue 13 and name H1) (residue 9 and name H6) 6.0 3.0 1.0
assign (residue 13 and name H1) (residue 13 and name H1') 4.6 2.8 1.0
assign (residue 13 and name H1) (residue 14 and name H1) 4.6 2.8 1.0
assign (residue 14 and name H1) (residue 7 and name H41) 3.9 1.7 1.1
assign (residue 14 and name H1) (residue 7 and name H42) 4.6 2.8 1.0
assign (residue 14 and name H1) (residue 7 and name H5) 5.0 2.0 1.0 
assign (residue 14 and name H1) (residue 8 and name H41) 4.6 2.8 1.0 
assign (residue 14 and name H1) (residue 8 and name H1')  5.0 2.0 1.0
assign (residue 14 and name H1) (residue 15 and name H1') 5.0 2.0 1.0
assign (residue 14 and name H21) (residue 15 and name H41) 5.0 2.0 1.0
assign (residue 16 and name H3) (residue 6 and name H1') 5.0 2.0 1.0 
assign (residue 16 and name H3) (residue 15 and name H41) 4.6 2.8 1.0
assign (residue 16 and name H3) (residue 15 and name H42) 4.6 2.8 1.0
assign (residue 16 and name H3) (residue 16 and name H6) 5.0 2.0 1.0 
assign (residue 16 and name H3) (residue 16 and name H1') 4.6 2.8 1.0
assign (residue 16 and name H3) (residue 16 and name H2') 4.6 2.8 1.0
assign (residue 16 and name H3) (residue 17 and name H8) 4.6 2.8 1.0
assign (residue 16 and name H3) (residue 17 and name H1') 5.0 2.0 1.0
assign (residue 19 and name H1) (residue 2 and name H41) 3.9 1.7 1.1
assign (residue 19 and name H1) (residue 2 and name H42) 4.6 2.8 1.0
assign (residue 19 and name H1) (residue 18 and name H2) 5.0 2.0 1.0
assign (residue 19 and name H1) (residue 19 and name *HM2) 5.0 2.0 1.0 
assign (residue 19 and name H1) (residue 19 and name H2') 5.0 2.0 1.0


{Backbone torsion angle dihedral restraints}

 assign (resi   1 and name O5'  )
        (resi   1 and name C5'  )
        (resi   1 and name C4'  )
        (resi   1 and name C3'  )   1.0   47.12   30.0  2 {*gamma*}

 assign (resi   1 and name C5'  )
        (resi   1 and name C4'  )
        (resi   1 and name C3'  )
        (resi   1 and name O3'  )   1.0   83.13   30.0  2 {*delta*}

assign (resi   1 and name C4'  )
        (resi   1 and name C3'  )
        (resi   1 and name O3'  )
        (resi   2 and name P    )   1.0   -151.7  30.0  2 {*epsilon*}

 assign (resi   1 and name C3'  )
        (resi   1 and name O3'  )
        (resi   2 and name P    )
        (resi   2 and name O5'  )   1.0   -73.6   30.0  2 {*zeta*}

assign (resi   1 and name O3'  )
        (resi   2 and name P    )
        (resi   2 and name O5'  )
        (resi   2 and name C5'  )   1.0   -62.1    30.0  2 {*alpha*}

 assign (resi   2 and name P    )
        (resi   2 and name O5'  )
        (resi   2 and name C5'  )  
        (resi   2 and name C4'  )   1.0   -179.9   15.0  2 {*beta*}
 

 assign (resi   2 and name O5'  )
        (resi   2 and name C5'  )
        (resi   2 and name C4'  )
        (resi   2 and name C3'  )   1.0   47.12    15.0  2 {*gamma*}
 
assign (resi   2 and name C5'  )
       (resi   2 and name C4'  )
       (resi   2 and name C3'  )
        (resi   2 and name O3'  )   1.0   83.13    15.0  2 {*delta*}

assign (resi   2 and name C4'  )
        (resi   2 and name C3'  )
        (resi   2 and name O3'  )
        (resi   3 and name P    )   1.0   -151.7   15.0  2 {*epsilon*}

 assign (resi   2 and name C3'  )
        (resi   2 and name O3'  )
        (resi   3 and name P    )
        (resi   3 and name O5'  )   1.0   -73.6    15.0  2 {*zeta*}

assign (resi   2 and name O3'  )
        (resi   3 and name P    )
        (resi   3 and name O5'  )
        (resi   3 and name C5'  )   1.0   -62.1   15.0  2 {*alpha*}

 assign (resi   3 and name P    )
        (resi   3 and name O5'  )
        (resi   3 and name C5'  )
        (resi   3 and name C4'  )   1.0   -179.9  15.0  2 {*beta*}

 assign (resi   3 and name O5'  )
        (resi   3 and name C5'  )
        (resi   3 and name C4'  )
        (resi   3 and name C3'  )   1.0   47.12   15.0  2 {*gamma*}

 assign (resi   3 and name C5'  )
        (resi   3 and name C4'  )
        (resi   3 and name C3'  )
        (resi   3 and name O3'  )   1.0   83.13   15.0  2 {*delta*}

assign (resi   6 and name P    )
        (resi   6 and name O5'  )
        (resi   6 and name C5'  )
        (resi   6 and name C4'  )   1.0   -179.9  30.0  2 {*beta*}

 assign (resi   6 and name O5'  )
        (resi   6 and name C5'  )
        (resi   6 and name C4'  )
        (resi   6 and name C3'  )   1.0   47.12   30.0  2 {*gamma*}

 assign (resi   6 and name C5'  )
        (resi   6 and name C4'  )
        (resi   6 and name C3'  )
        (resi   6 and name O3'  )   1.0   83.13   15.0  2 {*delta*}

assign (resi   6 and name C4'  )
        (resi   6 and name C3'  )
        (resi   6 and name O3'  )
        (resi   7 and name P    )   1.0   -151.7  15.0  2 {*epsilon*}

 assign (resi   6 and name C3'  )
        (resi   6 and name O3'  )
        (resi   7 and name P    )
        (resi   7 and name O5'  )   1.0   -73.6   15.0  2 {*zeta*}

 assign (resi   6 and name O3'  )
        (resi   7 and name P    )
        (resi   7 and name O5'  )
        (resi   7 and name C5'  )   1.0   -62.1    15.0  2 {*alpha*}

 assign (resi   7 and name P    )
        (resi   7 and name O5'  )
        (resi   7 and name C5'  )
        (resi   7 and name C4'  )   1.0   -179.9  15.0  2 {*beta*}

 assign (resi   7 and name O5'  )
        (resi   7 and name C5'  )
        (resi   7 and name C4'  )
        (resi   7 and name C3'  )   1.0   47.12   15.0  2 {*gamma*}

 assign (resi   7 and name C5'  )
        (resi   7 and name C4'  )
        (resi   7 and name C3'  )
        (resi   7 and name O3'  )   1.0   83.13   15.0  2 {*delta*}

 assign (resi   7 and name C4'  )
        (resi   7 and name C3'  )
        (resi   7 and name O3'  )
        (resi   8 and name P    )   1.0   -151.7  15.0  2 {*epsilon*}

 assign (resi   7 and name C3'  )
        (resi   7 and name O3'  )
        (resi   8 and name P    )
        (resi   8 and name O5'  )   1.0   -73.6   15.0  2 {*zeta*}
 
 assign (resi   7 and name O3'  )
        (resi   8 and name P    )
        (resi   8 and name O5'  )
        (resi   8 and name C5'  )   1.0   -62.1    15.0  2 {*alpha*}

 assign (resi   8 and name P    )
        (resi   8 and name O5'  )
        (resi   8 and name C5'  )
        (resi   8 and name C4'  )   1.0   -179.9   30.0  2 {*beta*}

 assign (resi   8 and name O5'  )
        (resi   8 and name C5'  )
        (resi   8 and name C4'  )
        (resi   8 and name C3'  )   1.0   47.12    30.0  2 {*gamma*}

 assign (resi   8 and name C5'  )
        (resi   8 and name C4'  )
        (resi   8 and name C3'  )
        (resi   8 and name O3'  )   1.0   83.13    30.0  2 {*delta*}

 assign (resi   13 and name P    )
        (resi   13 and name O5'  )
        (resi   13 and name C5'  )
        (resi   13 and name C4'  )   1.0   -179.9  30.0  2 {*beta*}

 assign (resi   13 and name O5'  )
        (resi   13 and name C5'  )
        (resi   13 and name C4'  )
        (resi   13 and name C3'  )   1.0   47.12   30.0  2 {*gamma*}

 assign (resi   13 and name C5'  )
        (resi   13 and name C4'  )
        (resi   13 and name C3'  )
        (resi   13 and name O3'  )   1.0   83.13   30.0  2 {*delta*}

assign (resi   13 and name C4'  )
        (resi  13 and name C3'  )
        (resi  13 and name O3'  )
        (resi  14 and name P    )   1.0   -151.7  30.0  2 {*epsilon*}

 assign (resi   13 and name C3'  )
        (resi   13 and name O3'  )
        (resi   14 and name P    )
        (resi   14 and name O5'  )   1.0   -73.6   30.0  2 {*zeta*}

assign  (resi   13 and name O3'  )
        (resi   14 and name P    )
        (resi   14 and name O5'  )
        (resi   14 and name C5'  )   1.0   -62.1   30.0  2 {*alpha*}

 assign (resi   14 and name P    )
        (resi   14 and name O5'  )
        (resi   14 and name C5'  )
        (resi   14 and name C4'  )   1.0   -179.9  15.0  2 {*beta*}

 assign (resi   14 and name O5'  )
        (resi   14 and name C5'  )
        (resi   14 and name C4'  )
        (resi   14 and name C3'  )   1.0   47.12   15.0  2 {*gamma*}

 assign (resi   14 and name C5'  )
        (resi   14 and name C4'  )
        (resi   14 and name C3'  )
        (resi   14 and name O3'  )   1.0   83.13   15.0  2 {*delta*}

assign (resi   14 and name C4'  )
        (resi  14 and name C3'  )
        (resi  14 and name O3'  )
        (resi  15 and name P    )   1.0   -151.7  15.0  2 {*epsilon*}

 assign (resi   14 and name C3'  )
        (resi   14 and name O3'  )
        (resi   15 and name P    )
        (resi   15 and name O5'  )   1.0   -73.6   15.0  2 {*zeta*}

assign  (resi   14 and name O3'  )
        (resi   15 and name P    )
        (resi   15 and name O5'  )
        (resi   15 and name C5'  )   1.0   -62.1   15.0  2 {*alpha*}

 assign (resi   15 and name P    )
        (resi   15 and name O5'  )
        (resi   15 and name C5'  )
        (resi   15 and name C4'  )   1.0   -179.9  15.0  2 {*beta*}

 assign (resi   15 and name O5'  )
        (resi   15 and name C5'  )
        (resi   15 and name C4'  )
        (resi   15 and name C3'  )   1.0   47.12   15.0  2 {*gamma*}

 assign (resi   15 and name C5'  )
        (resi   15 and name C4'  )
        (resi   15 and name C3'  )
        (resi   15 and name O3'  )   1.0   83.13   15.0  2 {*delta*}


 assign (resi   18 and name P    )
        (resi   18 and name O5'  )
        (resi   18 and name C5'  )
        (resi   18 and name C4'  )   1.0   -179.9  30.0  2 {*beta*}

 assign (resi   18 and name O5'  )
        (resi   18 and name C5'  )
        (resi   18 and name C4'  )
        (resi   18 and name C3'  )   1.0   47.12   30.0  2 {*gamma*}

 assign (resi   18 and name C5'  )
        (resi   18 and name C4'  )
        (resi   18 and name C3'  )
        (resi   18 and name O3'  )   1.0   83.13   15.0  2 {*delta*}

assign (resi   18 and name C4'  )
        (resi  18 and name C3'  )
        (resi  18 and name O3'  )
        (resi  19 and name P    )   1.0   -151.7  15.0  2 {*epsilon*}

 assign (resi   18 and name C3'  )
        (resi   18 and name O3'  )
        (resi   19 and name P    )
        (resi   19 and name O5'  )   1.0   -73.6   15.0  2 {*zeta*}

 assign (resi   18 and name O3'  )
        (resi   19 and name P    )
        (resi   19 and name O5'  )
        (resi   19 and name C5'  )   1.0   -62.1   15.0  2 {*alpha*} 

 assign (resi   19 and name P    )
        (resi   19 and name O5'  )
        (resi   19 and name C5'  )
        (resi   19 and name C4'  )   1.0   -179.9  15.0  2 {*beta*}

 assign (resi   19 and name O5'  )
        (resi   19 and name C5'  )
        (resi   19 and name C4'  )
        (resi   19 and name C3'  )   1.0   47.12   15.0  2 {*gamma*}

 assign (resi   19 and name C5'  )
        (resi   19 and name C4'  )
        (resi   19 and name C3'  )
        (resi   19 and name O3'  )   1.0   83.13   15.0  2 {*delta*}

 assign (resi   19 and name C4'  )
        (resi   19 and name C3'  ) 
        (resi   19 and name O3'  )
        (resi   20 and name P    )   1.0   -151.7  30.0  2 {*epsilon*}

 assign (resi   19 and name C3'  )
        (resi   19 and name O3'  )
        (resi   20 and name P    )
        (resi   20 and name O5'  )   1.0   -73.6   30.0  2 {*zeta*}

 assign (resi   19 and name O3'  )
        (resi   20 and name P    )
        (resi   20 and name O5'  )
        (resi   20 and name C5'  )   1.0   -62.1   30.0  2 {*alpha*}

 assign (resi   20 and name P    )
        (resi   20 and name O5'  )
        (resi   20 and name C5'  )
        (resi   20 and name C4'  )   1.0   -179.9  30.0  2 {*beta*}

 assign (resi   20 and name O5'  )
        (resi   20 and name C5'  )
        (resi   20 and name C4'  )
        (resi   20 and name C3'  )   1.0   47.12   30.0  2 {*gamma*}

 assign (resi   20 and name C5'  )
        (resi   20 and name C4'  )
        (resi   20 and name C3'  )
        (resi   20 and name O3'  )   1.0   83.13   30.0  2 {*delta*}


{*dihedral restraints for chi angle to specify syn or anti*}
 
 assign (resi  1 and name O4'  )
        (resi  1 and name C1'  )
        (resi  1 and name N1   )
        (resi  1 and name C4   )   1.0   -160.0 30.0  2 

 assign (resi  2 and name O4'  )
        (resi  2 and name C1'  )
        (resi  2 and name N1   )
        (resi  2 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  3 and name O4'  )
        (resi  3 and name C1'  )
        (resi  3 and name N1   )
        (resi  3 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  4 and name O4'  )
        (resi  4 and name C1'  )
        (resi  4 and name N1   )
        (resi  4 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  5 and name O4'  )
        (resi  5 and name C1'  )
        (resi  5 and name N9   )
        (resi  5 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  6 and name O4'  )
        (resi  6 and name C1'  )
        (resi  6 and name N9   )
        (resi  6 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  7 and name O4'  )
        (resi  7 and name C1'  )
        (resi  7 and name N1   )
        (resi  7 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  8 and name O4'  )
        (resi  8 and name C1'  )
        (resi  8 and name N1   )
        (resi  8 and name C4   )   1.0   -160.0 30.0  2 

 assign (resi  13 and name O4'  )
        (resi  13 and name C1'  )
        (resi  13 and name N9  )
        (resi  13 and name C4   )   1.0   -160.0  30.0  2 

 assign (resi  14 and name O4'  )
        (resi  14 and name C1'  )
        (resi  14 and name N9   )
        (resi  14 and name C4   )   1.0   -160.0  20.0  2 

 assign (resi  15 and name O4'  )
        (resi  15 and name C1'  )
        (resi  15 and name N1   )
        (resi  15 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  16 and name O4'  )
        (resi  16 and name C1'  )
        (resi  16 and name N1   )
        (resi  16 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  17 and name O4'  )
        (resi  17 and name C1'  )
        (resi  17 and name N9   )
        (resi  17 and name C4   )   1.0   -160.0  15.0  2 

 assign (resi  18 and name O4'  )
        (resi  18 and name C1'  )
        (resi  18 and name N9   )
        (resi  18 and name C4   )   1.0   -160.0 20.0  2 

 assign (resi  19 and name O4'  )
        (resi  19 and name C1'  )
        (resi  19 and name N9   )
        (resi  19 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  20 and name O4'  )
        (resi  20 and name C1'  )
        (resi  20 and name N9   )
        (resi  20 and name C4   )   1.0   -160.0 15.0  2 


{*dihedral angles v1 and v2 indicating North or South sugar*}
{*conformation - taken from 1'-2' couplings in VSI RNA*}

 assign (resi  2 and name O4'  )
        (resi  2 and name C1'  )
        (resi  2 and name C2'  )
        (resi  2 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  2 and name C1'  )
        (resi  2 and name C2'  )
        (resi  2 and name C3'  )
        (resi  2 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  3 and name O4'  )
        (resi  3 and name C1'  )
        (resi  3 and name C2'  )
        (resi  3 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  3 and name C1'  )
        (resi  3 and name C2'  )
        (resi  3 and name C3'  )
        (resi  3 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  4 and name O4'  )
        (resi  4 and name C1'  )
        (resi  4 and name C2'  )
        (resi  4 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  4 and name C1'  )
        (resi  4 and name C2'  )
        (resi  4 and name C3'  )
        (resi  4 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  5 and name O4'  )
        (resi  5 and name C1'  )
        (resi  5 and name C2'  )
        (resi  5 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  5 and name C1'  )
        (resi  5 and name C2'  )
        (resi  5 and name C3'  )
        (resi  5 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  6 and name O4'  )
        (resi  6 and name C1'  )
        (resi  6 and name C2'  )
        (resi  6 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  6 and name C1'  )
        (resi  6 and name C2'  )
        (resi  6 and name C3'  )
        (resi  6 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  7 and name O4'  )
        (resi  7 and name C1'  )
        (resi  7 and name C2'  )
        (resi  7 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  7 and name C1'  )
        (resi  7 and name C2'  )
        (resi  7 and name C3'  )
        (resi  7 and name C4'  )   1.0  37.0   15.0  2 {*North*}
 
 assign (resi  8 and name O4'  )
        (resi  8 and name C1'  )
        (resi  8 and name C2'  )
        (resi  8 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  8 and name C1'  )
        (resi  8 and name C2'  )
        (resi  8 and name C3'  )
        (resi  8 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  9 and name O4'  )
        (resi  9 and name C1'  )
        (resi  9 and name C2'  )
        (resi  9 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  9 and name C1'  )
        (resi  9 and name C2'  )
        (resi  9 and name C3'  )
        (resi  9 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  10 and name O4'  )
        (resi  10 and name C1'  )
        (resi  10 and name C2'  )
        (resi  10 and name C3'  )   1.0   25.0   15.0  2

 assign (resi  10 and name C1'  )
        (resi  10 and name C2'  )
        (resi  10 and name C3'  )
        (resi  10 and name C4'  )   1.0  -35.0   15.0  2 {*South*}

 assign (resi  11 and name O4'  )
        (resi  11 and name C1'  )
        (resi  11 and name C2'  )
        (resi  11 and name C3'  )   1.0   25.0   15.0  2

 assign (resi  11 and name C1'  )
        (resi  11 and name C2'  )
        (resi  11 and name C3'  )
        (resi  11 and name C4'  )   1.0  -35.0   15.0  2 {*South*}

 assign (resi  12 and name O4'  )
        (resi  12 and name C1'  )
        (resi  12 and name C2'  )
        (resi  12 and name C3'  )   1.0   25.0   15.0  2

 assign (resi  12 and name C1'  )
        (resi  12 and name C2'  )
        (resi  12 and name C3'  )
        (resi  12 and name C4'  )   1.0  -35.0   15.0  2 {*South*}

 assign (resi  13 and name O4'  )
        (resi  13 and name C1'  )
        (resi  13 and name C2'  )
        (resi  13 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  13 and name C1'  )
        (resi  13 and name C2'  )
        (resi  13 and name C3'  )
        (resi  13 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign  (resi  14 and name O4'  )
         (resi  14 and name C1'  )
         (resi  14 and name C2'  )
         (resi  14 and name C3'  )   1.0   -25.0  15.0  2

 assign  (resi  14 and name C1'  )
         (resi  14 and name C2'  )
         (resi  14 and name C3'  )
         (resi  14 and name C4'  )   1.0    37.0   15.0  2 {*North*}

 assign (resi  15 and name O4'  )
        (resi  15 and name C1'  )
        (resi  15 and name C2'  )
        (resi  15 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  15 and name C1'  )
        (resi  15 and name C2'  )
        (resi  15 and name C3'  )
        (resi  15 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign  (resi  16 and name O4'  )
         (resi  16 and name C1'  )
         (resi  16 and name C2'  )
         (resi  16 and name C3'  )   1.0   -25.0  15.0  2

 assign  (resi  16 and name C1'  )
         (resi  16 and name C2'  )
         (resi  16 and name C3'  )
         (resi  16 and name C4'  )   1.0    37.0   15.0  2 {*North*}

 assign (resi  17 and name O4'  )
        (resi  17 and name C1'  )
        (resi  17 and name C2'  )
        (resi  17 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  17 and name C1'  )
        (resi  17 and name C2'  )
        (resi  17 and name C3'  )
        (resi  17 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  18 and name O4'  )
        (resi  18 and name C1'  )
        (resi  18 and name C2'  )
        (resi  18 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  18 and name C1'  )
        (resi  18 and name C2'  )
        (resi  18 and name C3'  )
        (resi  18 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  19 and name O4'  )
        (resi  19 and name C1'  )
        (resi  19 and name C2'  )
        (resi  19 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  19 and name C1'  )
        (resi  19 and name C2'  )
        (resi  19 and name C3'  )
        (resi  19 and name C4'  )   1.0  37.0   15.0  2 {*North*}


{Residual dipolar coupling restraints}

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  1   and name C6  )
       ( resid  1   and name H6  ) -4.1   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  2   and name C6  )
       ( resid  2   and name H6  ) -2.8    1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  3   and name C6  )
       ( resid  3   and name H6  ) 8.4    1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  4   and name C6  )
       ( resid  4   and name H6  ) 16.6   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  5   and name C8  )
       ( resid  5   and name H8  ) 13.1   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  6   and name C8  )
       ( resid  6   and name H8  ) 15.8   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  7   and name C6  )
       ( resid  7   and name H6  ) 16.1   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  8   and name C6  )
       ( resid  8   and name H6  ) 6.4   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  9   and name C6  )
       ( resid  9   and name H6  ) 15.9   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  16   and name C6  )
       ( resid  16   and name H6  ) 12.9   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  18   and name C8  )
       ( resid  18   and name H8  ) 21.0   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  19   and name C8  )
       ( resid  19   and name H8  ) 15.5   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  20   and name C8  )
       ( resid  20   and name H8  ) -0.5   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  18   and name C2  )
       ( resid  18   and name H2  ) 12.7   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  20   and name C2  )
       ( resid  20   and name H2  ) 8.9   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  4   and name C5  )
       ( resid  4   and name H5  ) 15.7   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  7   and name C5  )
       ( resid  7   and name H5  ) 18.0   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  8   and name C5  )
       ( resid  8   and name H5  ) 12.0   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  16   and name C5  )
       ( resid  16   and name H5  ) 14.3   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  1   and name C1'  )
       ( resid  1   and name H1'  ) -17.3   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  3   and name C1'  )
       ( resid  3   and name H1'  ) -0.8   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  4   and name C1'  )
       ( resid  4   and name H1'  ) -6.8   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  6   and name C1'  )
       ( resid  6   and name H1'  ) -4.5 1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  7   and name C1'  )
       ( resid  7   and name H1'  ) 3.8   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  8   and name C1'  )
       ( resid  8   and name H1'  ) 9.0   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  9   and name C1'  )
       ( resid  9   and name H1'  ) 7.0   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  13   and name C1'  )
       ( resid  13   and name H1'  ) -8.3   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  14   and name C1'  )
       ( resid  14   and name H1'  ) -10.5   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  15   and name C1'  )
       ( resid  15   and name H1'  ) 14.2   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  16   and name C1'  )
       ( resid  16   and name H1'  ) -26.3   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  17   and name C1'  )
       ( resid  17   and name H1'  ) 6.8   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  19   and name C1'  )
       ( resid  19   and name H1'  ) 6.0   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  20   and name C1'  )
       ( resid  20   and name H1'  ) 2.3   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  1   and name C2'  )
       ( resid  1   and name H2'  ) 10.3   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  7   and name C2'  )
       ( resid  7   and name H2'  ) -1.9   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  9   and name C2'  )
       ( resid  9   and name H2'  ) 14.8   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  13   and name C2'  )
       ( resid  13   and name H2'  ) -8.9   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  17   and name C2'  )
       ( resid  17   and name H2'  ) -0.6   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  18   and name C2'  )
       ( resid  18   and name H2'  ) 1.7   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  20   and name C2'  )
       ( resid  20   and name H2'  ) 13.9   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  9   and name C3'  )
       ( resid  9   and name H3'  ) 11.8   1.2    1.2 

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  20   and name C3'  )
       ( resid  20   and name H3'  ) 10.5   1.2    1.2 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HN1  PSU   1           HN1      PSU   1   0.268  13.119   2.335
    2    HN3  PSU   1           HN3      PSU   1   3.024  13.760  -0.603
    3    H6   PSU   1           H6       PSU   1  -1.528  13.622   0.827
    4    H1*  PSU   1           H1*      PSU   1  -1.000  15.089  -2.448
    5    H2*  PSU   1           H2*      PSU   1  -1.121  12.327  -2.612
    6   *HO2  PSU   1          *HO2      PSU   1  -2.673  14.439  -3.642
    7    H3*  PSU   1           H3*      PSU   1  -2.604  12.019  -0.740
    8    H4*  PSU   1           H4*      PSU   1  -4.366  14.227  -1.728
    9   1H5*  PSU   1          1H5*      PSU   1  -4.339  14.916   0.691
   10   2H5*  PSU   1          2H5*      PSU   1  -5.081  13.349   0.319
   11    H5T  PSU   1           H5T      PSU   1  -3.400  12.313   1.194
   12   1H5*    C   2          1H5*        C   2  -3.580  12.384  -5.118
   13   2H5*    C   2          2H5*        C   2  -4.226  10.782  -5.522
   14    H4*    C   2           H4*        C   2  -2.929  11.558  -7.357
   15    H3*    C   2           H3*        C   2  -1.786   9.249  -5.849
   16    H2*    C   2           H2*        C   2   0.222   9.298  -7.173
   17   2HO*    C   2          2HO*        C   2  -0.107  11.395  -8.760
   18    H1*    C   2           H1*        C   2   0.623  12.032  -7.049
   19   1H4     C   2          1H4         C   2   3.600  10.124  -1.797
   20   2H4     C   2          2H4         C   2   2.077   9.826  -0.992
   21    H5     C   2           H5         C   2  -0.065  10.062  -2.094
   22    H6     C   2           H6         C   2  -1.178  10.614  -4.192
   23   1H5*    U   3          1H5*        U   3  -1.060   7.893  -9.670
   24   2H5*    U   3          2H5*        U   3  -2.275   6.636  -9.972
   25    H4*    U   3           H4*        U   3  -0.413   5.608 -10.764
   26    H3*    U   3           H3*        U   3  -0.739   4.787  -7.910
   27    H2*    U   3           H2*        U   3   1.375   3.639  -7.949
   28   2HO*    U   3          2HO*        U   3   2.355   3.092  -9.825
   29    H1*    U   3           H1*        U   3   2.802   5.648  -9.216
   30    H3     U   3           H3         U   3   4.189   6.350  -5.016
   31    H5     U   3           H5         U   3   0.182   7.604  -4.943
   32    H6     U   3           H6         U   3  -0.039   6.776  -7.191
   33   1H5*    C   4          1H5*        C   4   1.546   1.300  -9.830
   34   2H5*    C   4          2H5*        C   4   0.429   0.036  -9.279
   35    H4*    C   4           H4*        C   4   2.848  -0.196  -8.595
   36    H3*    C   4           H3*        C   4   0.543  -0.449  -6.715
   37    H2*    C   4           H2*        C   4   2.014  -0.611  -4.821
   38   2HO*    C   4          2HO*        C   4   4.181  -0.606  -6.687
   39    H1*    C   4           H1*        C   4   3.691   1.474  -5.525
   40   1H4     C   4          1H4         C   4  -0.845   4.417  -2.216
   41   2H4     C   4          2H4         C   4  -1.894   4.432  -3.616
   42    H5     C   4           H5         C   4  -1.320   3.340  -5.700
   43    H6     C   4           H6         C   4   0.369   2.014  -6.858
   44    H1*  OMG   5           H1*      OMG   5   6.580  -1.902  -3.529
   45    H2*  OMG   5           H2*      OMG   5   6.164  -4.139  -1.986
   46    H3*  OMG   5           H3*      OMG   5   4.478  -5.153  -3.362
   47    H4*  OMG   5           H4*      OMG   5   6.029  -4.695  -5.858
   48   1HM2  OMG   5          1HM2      OMG   5   8.222  -3.238  -1.671
   49   2HM2  OMG   5          2HM2      OMG   5   8.693  -2.389  -3.142
   50   3HM2  OMG   5          3HM2      OMG   5   9.556  -3.844  -2.650
   51   1H5*  OMG   5          1H5*      OMG   5   4.074  -4.785  -6.879
   52   2H5*  OMG   5          2H5*      OMG   5   3.373  -5.226  -5.309
   53    H8   OMG   5           H8       OMG   5   3.055  -2.467  -4.286
   54    HN1  OMG   5           HN1      OMG   5   3.907  -0.333   1.700
   55   1HN2  OMG   5          1HN2      OMG   5   6.014  -0.487   2.275
   56   2HN2  OMG   5          2HN2      OMG   5   7.235  -1.116   1.192
   57    H1*  OMG   6           H1*      OMG   6   5.921  -3.626   2.440
   58    H2*  OMG   6           H2*      OMG   6   4.589  -6.063   2.818
   59    H3*  OMG   6           H3*      OMG   6   5.244  -7.013   0.706
   60    H4*  OMG   6           H4*      OMG   6   8.023  -5.955   1.158
   61   1HM2  OMG   6          1HM2      OMG   6   6.606  -5.394   5.558
   62   2HM2  OMG   6          2HM2      OMG   6   6.449  -3.961   4.545
   63   3HM2  OMG   6          3HM2      OMG   6   5.065  -5.026   4.783
   64   1H5*  OMG   6          1H5*      OMG   6   7.844  -5.379  -1.304
   65   2H5*  OMG   6          2H5*      OMG   6   7.911  -7.098  -0.869
   66    H8   OMG   6           H8       OMG   6   4.414  -4.753  -0.812
   67    HN1  OMG   6           HN1      OMG   6   0.297  -1.805   3.127
   68   1HN2  OMG   6          1HN2      OMG   6   1.184  -1.551   5.110
   69   2HN2  OMG   6          2HN2      OMG   6   2.799  -2.107   5.488
   70   1H5*    C   7          1H5*        C   7   6.101  -8.163   4.734
   71   2H5*    C   7          2H5*        C   7   5.627  -9.868   4.867
   72    H4*    C   7           H4*        C   7   4.560  -8.640   6.606
   73    H3*    C   7           H3*        C   7   2.706  -9.620   4.458
   74    H2*    C   7           H2*        C   7   0.857  -8.594   5.608
   75   2HO*    C   7          2HO*        C   7   2.734  -8.055   7.700
   76    H1*    C   7           H1*        C   7   2.183  -6.196   6.189
   77   1H4     C   7          1H4         C   7  -0.704  -4.857   0.721
   78   2H4     C   7          2H4         C   7   0.491  -5.768  -0.174
   79    H5     C   7           H5         C   7   2.243  -7.050   0.902
   80    H6     C   7           H6         C   7   3.191  -7.722   3.045
   81   1H5*    C   8          1H5*        C   8   1.372 -10.520   8.202
   82   2H5*    C   8          2H5*        C   8   0.885 -12.197   8.512
   83    H4*    C   8           H4*        C   8  -0.812 -10.871   9.415
   84    H3*    C   8           H3*        C   8  -1.611 -12.142   6.829
   85    H2*    C   8           H2*        C   8  -3.706 -10.965   6.848
   86   2HO*    C   8          2HO*        C   8  -2.946 -10.318   9.522
   87    H1*    C   8           H1*        C   8  -2.696  -8.500   7.632
   88   1H4     C   8          1H4         C   8  -2.408  -7.895   1.350
   89   2H4     C   8          2H4         C   8  -1.164  -9.119   1.233
   90    H5     C   8           H5         C   8  -0.356 -10.362   3.146
   91    H6     C   8           H6         C   8  -0.608 -10.713   5.546
   92    HN1  PSU   9           HN1      PSU   9  -3.403 -11.728   3.252
   93    HN3  PSU   9           HN3      PSU   9  -6.189  -9.536   1.236
   94    H6   PSU   9           H6       PSU   9  -4.809 -11.826   5.190
   95    H1*  PSU   9           H1*      PSU   9  -7.949  -9.930   5.447
   96    H2*  PSU   9           H2*      PSU   9  -8.029 -12.647   4.661
   97   *HO2  PSU   9          *HO2      PSU   9  -9.413 -10.896   6.161
   98    H3*  PSU   9           H3*      PSU   9  -6.296 -13.327   6.196
   99    H4*  PSU   9           H4*      PSU   9  -7.604 -11.549   8.249
  100   1H5*  PSU   9          1H5*      PSU   9  -5.151 -11.045   8.800
  101   2H5*  PSU   9          2H5*      PSU   9  -5.827 -12.617   9.267
  102   1H5*    U  10          1H5*        U  10 -10.246 -15.788   4.421
  103   2H5*    U  10          2H5*        U  10  -9.483 -14.478   3.497
  104    H4*    U  10           H4*        U  10 -12.029 -14.816   3.345
  105    H3*    U  10           H3*        U  10 -10.631 -12.658   2.673
  106    H2*    U  10           H2*        U  10 -10.478 -11.659   4.875
  107   2HO*    U  10          2HO*        U  10 -11.699 -10.269   3.318
  108    H1*    U  10           H1*        U  10 -13.445 -12.291   5.326
  109    H3     U  10           H3         U  10 -12.558  -9.968   9.156
  110    H5     U  10           H5         U  10 -10.423 -13.569   9.490
  111    H6     U  10           H6         U  10 -10.963 -14.014   7.188
  112   1H5*    U  11          1H5*        U  11  -9.754  -9.649   1.577
  113   2H5*    U  11          2H5*        U  11 -11.404  -9.078   1.268
  114    H4*    U  11           H4*        U  11 -10.631  -8.523  -0.737
  115    H3*    U  11           H3*        U  11 -11.918 -10.774  -1.195
  116    H2*    U  11           H2*        U  11 -10.143 -12.331  -0.681
  117   2HO*    U  11          2HO*        U  11 -10.802 -12.188  -3.143
  118    H1*    U  11           H1*        U  11  -8.132 -10.681  -2.277
  119    H3     U  11           H3         U  11  -4.721 -13.085  -0.760
  120    H5     U  11           H5         U  11  -7.279 -12.948   2.569
  121    H6     U  11           H6         U  11  -8.832 -11.693   1.228
  122   1H5*    U  12          1H5*        U  12  -9.298  -8.121  -3.389
  123   2H5*    U  12          2H5*        U  12  -8.917  -7.566  -1.748
  124    H4*    U  12           H4*        U  12  -9.713  -5.260  -2.609
  125    H3*    U  12           H3*        U  12 -10.396  -6.285  -4.928
  126    H2*    U  12           H2*        U  12  -8.386  -7.424  -5.545
  127   2HO*    U  12          2HO*        U  12  -7.267  -5.016  -6.334
  128    H1*    U  12           H1*        U  12  -6.542  -5.216  -4.616
  129    H3     U  12           H3         U  12  -3.996  -8.892  -5.872
  130    H5     U  12           H5         U  12  -5.261  -9.494  -1.912
  131    H6     U  12           H6         U  12  -6.761  -7.632  -2.190
  132    H1*  OMG  13           H1*      OMG  13  -9.403  -4.740   1.881
  133    H2*  OMG  13           H2*      OMG  13  -7.936  -2.393   1.626
  134    H3*  OMG  13           H3*      OMG  13  -8.540  -1.984  -0.672
  135    H4*  OMG  13           H4*      OMG  13 -11.407  -2.562  -0.010
  136   1HM2  OMG  13          1HM2      OMG  13 -10.367  -3.878   3.661
  137   2HM2  OMG  13          2HM2      OMG  13  -9.988  -2.341   4.433
  138   3HM2  OMG  13          3HM2      OMG  13  -8.697  -3.320   3.738
  139   1H5*  OMG  13          1H5*      OMG  13 -11.571  -3.545  -2.171
  140   2H5*  OMG  13          2H5*      OMG  13 -10.743  -1.982  -2.324
  141    H8   OMG  13           H8       OMG  13  -8.000  -4.295  -1.625
  142    HN1  OMG  13           HN1      OMG  13  -4.100  -7.198   2.554
  143   1HN2  OMG  13          1HN2      OMG  13  -4.907  -7.071   4.575
  144   2HN2  OMG  13          2HN2      OMG  13  -6.426  -6.273   4.923
  145   1H5*    G  14          1H5*        G  14  -9.867   0.157   2.739
  146   2H5*    G  14          2H5*        G  14  -9.215   1.804   2.847
  147    H4*    G  14           H4*        G  14  -8.886   0.556   4.912
  148    H3*    G  14           H3*        G  14  -6.424   1.423   3.420
  149    H2*    G  14           H2*        G  14  -5.075   0.417   5.139
  150   2HO*    G  14          2HO*        G  14  -5.873  -0.019   7.119
  151    H1*    G  14           H1*        G  14  -6.631  -1.911   5.377
  152    H8     G  14           H8         G  14  -6.353  -0.885   1.771
  153    H1     G  14           H1         G  14  -1.353  -4.267   3.942
  154   1H2     G  14          1H2         G  14  -1.451  -4.464   6.121
  155   2H2     G  14          2H2         G  14  -2.750  -3.768   7.064
  156   1H5*    C  15          1H5*        C  15  -5.477   1.739   7.153
  157   2H5*    C  15          2H5*        C  15  -5.510   3.455   7.605
  158    H4*    C  15           H4*        C  15  -3.637   2.819   8.695
  159    H3*    C  15           H3*        C  15  -2.749   3.731   5.985
  160    H2*    C  15           H2*        C  15  -0.496   3.033   6.467
  161   2HO*    C  15          2HO*        C  15  -0.203   3.583   8.586
  162    H1*    C  15           H1*        C  15  -1.162   0.567   7.538
  163   1H4     C  15          1H4         C  15  -0.599  -0.862   1.396
  164   2H4     C  15          2H4         C  15  -2.077  -0.011   1.014
  165    H5     C  15           H5         C  15  -3.351   1.226   2.663
  166    H6     C  15           H6         C  15  -3.457   1.900   5.004
  167   1H5*    U  16          1H5*        U  16   1.692   5.965   6.781
  168   2H5*    U  16          2H5*        U  16   0.616   5.165   5.620
  169    H4*    U  16           H4*        U  16   2.065   3.670   7.789
  170    H3*    U  16           H3*        U  16   3.170   4.501   5.131
  171    H2*    U  16           H2*        U  16   4.089   2.298   4.813
  172   2HO*    U  16          2HO*        U  16   3.592   0.768   6.693
  173    H1*    U  16           H1*        U  16   1.822   0.912   5.642
  174    H3     U  16           H3         U  16   2.820   1.425   0.988
  175    H5     U  16           H5         U  16  -0.831   3.253   1.990
  176    H6     U  16           H6         U  16  -0.222   3.017   4.304
  177   1H5*    A  17          1H5*        A  17   5.879   2.990   5.865
  178   2H5*    A  17          2H5*        A  17   7.191   2.944   7.059
  179    H4*    A  17           H4*        A  17   8.764   2.858   5.507
  180    H3*    A  17           H3*        A  17   7.346   5.126   4.149
  181    H2*    A  17           H2*        A  17   8.455   4.572   2.082
  182   2HO*    A  17          2HO*        A  17   9.847   2.463   3.369
  183    H1*    A  17           H1*        A  17   8.035   1.822   2.263
  184    H8     A  17           H8         A  17   5.136   3.853   3.664
  185   1H6     A  17          1H6         A  17   2.744   3.591  -2.041
  186   2H6     A  17          2H6         A  17   2.449   4.061  -0.382
  187    H2     A  17           H2         A  17   6.898   1.909  -2.194
  188   1H5*    A  18          1H5*        A  18  11.166   4.581   2.844
  189   2H5*    A  18          2H5*        A  18  12.085   6.096   2.748
  190    H4*    A  18           H4*        A  18  12.245   4.851   0.681
  191    H3*    A  18           H3*        A  18  10.834   7.498   0.558
  192    H2*    A  18           H2*        A  18  10.455   7.161  -1.798
  193   2HO*    A  18          2HO*        A  18  11.654   5.778  -2.948
  194    H1*    A  18           H1*        A  18   9.643   4.500  -1.568
  195    H8     A  18           H8         A  18   8.498   6.666   1.347
  196   1H6     A  18          1H6         A  18   3.384   7.713  -1.982
  197   2H6     A  18          2H6         A  18   4.165   7.958  -0.436
  198    H2     A  18           H2         A  18   6.264   5.417  -4.540
  199    H1*  OMG  19           H1*      OMG  19  10.280   9.149  -5.138
  200    H2*  OMG  19           H2*      OMG  19  10.495  11.847  -4.407
  201    H3*  OMG  19           H3*      OMG  19  12.081  11.495  -2.634
  202    H4*  OMG  19           H4*      OMG  19  13.586   9.575  -4.383
  203   1HM2  OMG  19          1HM2      OMG  19  10.938  11.408  -7.809
  204   2HM2  OMG  19          2HM2      OMG  19  10.661   9.777  -7.205
  205   3HM2  OMG  19          3HM2      OMG  19   9.724  11.124  -6.564
  206   1H5*  OMG  19          1H5*      OMG  19  13.942   8.275  -2.375
  207   2H5*  OMG  19          2H5*      OMG  19  14.438   9.963  -2.135
  208    H8   OMG  19           H8       OMG  19  10.547   9.317  -1.415
  209    HN1  OMG  19           HN1      OMG  19   4.664  10.552  -3.654
  210   1HN2  OMG  19          1HN2      OMG  19   4.716  10.841  -5.821
  211   2HN2  OMG  19          2HN2      OMG  19   6.199  10.731  -6.744
  212   1H5*    A  20          1H5*        A  20  11.697  13.090  -6.613
  213   2H5*    A  20          2H5*        A  20  12.254  14.761  -6.398
  214    H4*    A  20           H4*        A  20  10.009  14.556  -7.427
  215    H3*    A  20           H3*        A  20  10.383  16.130  -4.901
  216    H2*    A  20           H2*        A  20   8.045  16.515  -4.748
  217   2HO*    A  20          2HO*        A  20   7.415  15.475  -7.257
  218    H1*    A  20           H1*        A  20   7.227  14.045  -5.981
  219    H8     A  20           H8         A  20   9.602  13.817  -3.023
  220   1H6     A  20          1H6         A  20   4.527  13.284   0.484
  221   2H6     A  20          2H6         A  20   6.275  13.204   0.467
  222    H2     A  20           H2         A  20   3.233  14.267  -3.694
  223    H3T    A  20           H3T        A  20   9.418  17.302  -7.114
  Start of MODEL    2
    1    HN1  PSU   1           HN1      PSU   1   1.585  13.431   1.969
    2    HN3  PSU   1           HN3      PSU   1   4.366  14.389  -0.859
    3    H6   PSU   1           H6       PSU   1  -0.194  14.158   0.536
    4    H1*  PSU   1           H1*      PSU   1   0.418  15.881  -2.650
    5    H2*  PSU   1           H2*      PSU   1  -0.050  13.115  -2.709
    6   *HO2  PSU   1          *HO2      PSU   1  -0.291  14.863  -4.361
    7    H3*  PSU   1           H3*      PSU   1  -1.697  13.092  -0.968
    8    H4*  PSU   1           H4*      PSU   1  -2.915  15.595  -2.087
    9   1H5*  PSU   1          1H5*      PSU   1  -2.952  16.250   0.371
   10   2H5*  PSU   1          2H5*      PSU   1  -4.027  14.945  -0.160
   11    H5T  PSU   1           H5T      PSU   1  -2.595  13.449   0.675
   12   1H5*    C   2          1H5*        C   2  -2.673  13.509  -5.494
   13   2H5*    C   2          2H5*        C   2  -3.231  11.890  -5.956
   14    H4*    C   2           H4*        C   2  -1.758  12.851  -7.634
   15    H3*    C   2           H3*        C   2  -0.940  10.324  -6.274
   16    H2*    C   2           H2*        C   2   1.197  10.340  -7.369
   17   2HO*    C   2          2HO*        C   2   0.968  11.026  -9.398
   18    H1*    C   2           H1*        C   2   1.757  13.028  -6.985
   19   1H4     C   2          1H4         C   2   4.174  10.586  -1.676
   20   2H4     C   2          2H4         C   2   2.577  10.239  -1.055
   21    H5     C   2           H5         C   2   0.556  10.620  -2.325
   22    H6     C   2           H6         C   2  -0.345  11.385  -4.455
   23   1H5*    U   3          1H5*        U   3   0.299   9.558 -10.179
   24   2H5*    U   3          2H5*        U   3  -0.906   8.407 -10.789
   25    H4*    U   3           H4*        U   3   0.983   7.423 -11.550
   26    H3*    U   3           H3*        U   3   0.371   6.227  -8.890
   27    H2*    U   3           H2*        U   3   2.477   5.075  -8.823
   28   2HO*    U   3          2HO*        U   3   2.204   5.035 -11.414
   29    H1*    U   3           H1*        U   3   4.054   7.180  -9.653
   30    H3     U   3           H3         U   3   4.903   7.451  -5.271
   31    H5     U   3           H5         U   3   0.882   8.629  -5.544
   32    H6     U   3           H6         U   3   0.959   8.079  -7.884
   33   1H5*    C   4          1H5*        C   4   3.027   3.271 -10.400
   34   2H5*    C   4          2H5*        C   4   2.105   1.789 -10.079
   35    H4*    C   4           H4*        C   4   4.312   2.161  -8.834
   36    H3*    C   4           H3*        C   4   1.770   1.189  -7.587
   37    H2*    C   4           H2*        C   4   2.795   1.224  -5.410
   38   2HO*    C   4          2HO*        C   4   5.142   1.416  -6.972
   39    H1*    C   4           H1*        C   4   4.006   3.709  -5.679
   40   1H4     C   4          1H4         C   4  -1.698   5.004  -3.193
   41   2H4     C   4          2H4         C   4  -2.358   5.167  -4.804
   42    H5     C   4           H5         C   4  -1.090   4.657  -6.805
   43    H6     C   4           H6         C   4   1.057   3.877  -7.658
   44    H1*  OMG   5           H1*      OMG   5   7.311  -0.229  -2.748
   45    H2*  OMG   5           H2*      OMG   5   6.555  -2.810  -2.113
   46    H3*  OMG   5           H3*      OMG   5   5.509  -3.305  -4.227
   47    H4*  OMG   5           H4*      OMG   5   7.856  -2.182  -5.701
   48   1HM2  OMG   5          1HM2      OMG   5  10.021  -1.923  -1.653
   49   2HM2  OMG   5          2HM2      OMG   5   8.950  -3.181  -1.038
   50   3HM2  OMG   5          3HM2      OMG   5   8.413  -1.503  -1.066
   51   1H5*  OMG   5          1H5*      OMG   5   6.469  -1.745  -7.407
   52   2H5*  OMG   5          2H5*      OMG   5   5.475  -2.979  -6.607
   53    H8   OMG   5           H8       OMG   5   4.288  -0.205  -4.677
   54    HN1  OMG   5           HN1      OMG   5   2.987  -0.495   1.598
   55   1HN2  OMG   5          1HN2      OMG   5   4.780  -1.049   2.725
   56   2HN2  OMG   5          2HN2      OMG   5   6.317  -1.355   1.948
   57    H1*  OMG   6           H1*      OMG   6   6.030  -3.240   1.379
   58    H2*  OMG   6           H2*      OMG   6   4.593  -5.615   1.833
   59    H3*  OMG   6           H3*      OMG   6   5.305  -6.701  -0.192
   60    H4*  OMG   6           H4*      OMG   6   8.084  -5.661   0.305
   61   1HM2  OMG   6          1HM2      OMG   6   5.006  -4.540   3.778
   62   2HM2  OMG   6          2HM2      OMG   6   6.521  -4.864   4.618
   63   3HM2  OMG   6          3HM2      OMG   6   6.392  -3.481   3.535
   64   1H5*  OMG   6          1H5*      OMG   6   8.404  -5.608  -1.999
   65   2H5*  OMG   6          2H5*      OMG   6   7.499  -7.105  -1.701
   66    H8   OMG   6           H8       OMG   6   4.722  -4.003  -1.944
   67    HN1  OMG   6           HN1      OMG   6   0.147  -1.959   2.062
   68   1HN2  OMG   6          1HN2      OMG   6   0.863  -2.003   4.128
   69   2HN2  OMG   6          2HN2      OMG   6   2.476  -2.537   4.545
   70   1H5*    C   7          1H5*        C   7   6.283  -8.404   3.734
   71   2H5*    C   7          2H5*        C   7   5.547 -10.017   3.816
   72    H4*    C   7           H4*        C   7   4.802  -8.571   5.632
   73    H3*    C   7           H3*        C   7   2.731  -9.554   3.691
   74    H2*    C   7           H2*        C   7   1.046  -8.337   4.908
   75   2HO*    C   7          2HO*        C   7   3.108  -8.197   6.854
   76    H1*    C   7           H1*        C   7   2.553  -6.006   5.227
   77   1H4     C   7          1H4         C   7  -0.851  -5.081  -0.056
   78   2H4     C   7          2H4         C   7   0.407  -5.845  -1.003
   79    H5     C   7           H5         C   7   2.341  -6.909  -0.005
   80    H6     C   7           H6         C   7   3.448  -7.467   2.095
   81   1H5*    C   8          1H5*        C   8   1.587 -10.279   7.698
   82   2H5*    C   8          2H5*        C   8   1.173 -11.985   7.961
   83    H4*    C   8           H4*        C   8  -0.411 -10.572   9.082
   84    H3*    C   8           H3*        C   8  -1.419 -12.238   6.823
   85    H2*    C   8           H2*        C   8  -3.595 -11.218   6.944
   86   2HO*    C   8          2HO*        C   8  -3.215  -9.369   8.861
   87    H1*    C   8           H1*        C   8  -2.730  -8.611   7.091
   88   1H4     C   8          1H4         C   8  -2.980  -9.820   0.847
   89   2H4     C   8          2H4         C   8  -1.286 -10.251   0.878
   90    H5     C   8           H5         C   8  -0.007 -10.417   2.926
   91    H6     C   8           H6         C   8  -0.083 -10.164   5.350
   92    HN1  PSU   9           HN1      PSU   9  -2.988 -12.551   3.165
   93    HN3  PSU   9           HN3      PSU   9  -5.855 -10.587   1.025
   94    H6   PSU   9           H6       PSU   9  -4.252 -12.297   5.185
   95    H1*  PSU   9           H1*      PSU   9  -7.210 -10.183   5.408
   96    H2*  PSU   9           H2*      PSU   9  -7.584 -12.993   4.896
   97   *HO2  PSU   9          *HO2      PSU   9  -9.494 -12.350   5.594
   98    H3*  PSU   9           H3*      PSU   9  -6.173 -13.710   6.685
   99    H4*  PSU   9           H4*      PSU   9  -7.083 -11.312   8.266
  100   1H5*  PSU   9          1H5*      PSU   9  -4.752 -11.212   9.047
  101   2H5*  PSU   9          2H5*      PSU   9  -5.560 -12.739   9.447
  102   1H5*    U  10          1H5*        U  10  -9.536 -11.830   8.075
  103   2H5*    U  10          2H5*        U  10 -10.712 -12.878   8.892
  104    H4*    U  10           H4*        U  10 -12.503 -11.924   7.882
  105    H3*    U  10           H3*        U  10 -11.398 -12.197   5.467
  106    H2*    U  10           H2*        U  10  -9.805 -10.381   5.631
  107   2HO*    U  10          2HO*        U  10 -10.579  -8.938   4.205
  108    H1*    U  10           H1*        U  10 -12.005  -8.653   6.897
  109    H3     U  10           H3         U  10  -9.343  -5.253   7.918
  110    H5     U  10           H5         U  10  -6.684  -8.504   7.947
  111    H6     U  10           H6         U  10  -8.539  -9.927   7.374
  112   1H5*    U  11          1H5*        U  11 -10.510 -10.507   2.486
  113   2H5*    U  11          2H5*        U  11 -12.000  -9.560   2.301
  114    H4*    U  11           H4*        U  11 -11.490 -10.453   0.184
  115    H3*    U  11           H3*        U  11 -13.951 -10.835   1.069
  116    H2*    U  11           H2*        U  11 -13.597 -12.914   2.250
  117   2HO*    U  11          2HO*        U  11 -15.177 -13.227   0.513
  118    H1*    U  11           H1*        U  11 -11.953 -14.004  -0.086
  119    H3     U  11           H3         U  11 -10.454 -17.513   2.178
  120    H5     U  11           H5         U  11 -11.093 -14.691   5.223
  121    H6     U  11           H6         U  11 -11.825 -13.146   3.530
  122   1H5*    U  12          1H5*        U  12 -11.710  -9.691  -3.669
  123   2H5*    U  12          2H5*        U  12 -10.556 -10.864  -3.002
  124    H4*    U  12           H4*        U  12 -10.443  -7.870  -2.662
  125    H3*    U  12           H3*        U  12  -9.729  -8.947  -4.982
  126    H2*    U  12           H2*        U  12  -8.305 -10.704  -4.110
  127   2HO*    U  12          2HO*        U  12  -6.287  -8.792  -3.961
  128    H1*    U  12           H1*        U  12  -7.061  -8.684  -2.168
  129    H3     U  12           H3         U  12  -4.684 -12.700  -1.756
  130    H5     U  12           H5         U  12  -8.083 -12.884   0.704
  131    H6     U  12           H6         U  12  -8.900 -10.912  -0.408
  132    H1*  OMG  13           H1*      OMG  13 -10.259  -6.619   1.528
  133    H2*  OMG  13           H2*      OMG  13  -8.883  -4.233   1.322
  134    H3*  OMG  13           H3*      OMG  13  -9.282  -3.888  -1.026
  135    H4*  OMG  13           H4*      OMG  13 -12.178  -4.544  -0.696
  136   1HM2  OMG  13          1HM2      OMG  13 -11.405  -5.742   3.183
  137   2HM2  OMG  13          2HM2      OMG  13 -11.182  -4.161   3.929
  138   3HM2  OMG  13          3HM2      OMG  13  -9.782  -5.087   3.389
  139   1H5*  OMG  13          1H5*      OMG  13 -12.028  -5.671  -2.785
  140   2H5*  OMG  13          2H5*      OMG  13 -11.211  -4.101  -2.929
  141    H8   OMG  13           H8       OMG  13  -8.837  -6.524  -1.937
  142    HN1  OMG  13           HN1      OMG  13  -4.669  -8.323   2.588
  143   1HN2  OMG  13          1HN2      OMG  13  -5.479  -7.940   4.575
  144   2HN2  OMG  13          2HN2      OMG  13  -7.064  -7.237   4.815
  145   1H5*    G  14          1H5*        G  14 -10.703  -1.878   2.170
  146   2H5*    G  14          2H5*        G  14 -10.194  -0.187   2.338
  147    H4*    G  14           H4*        G  14  -9.703  -1.488   4.336
  148    H3*    G  14           H3*        G  14  -7.383  -0.320   2.831
  149    H2*    G  14           H2*        G  14  -5.875  -1.297   4.430
  150   2HO*    G  14          2HO*        G  14  -8.069  -1.119   6.006
  151    H1*    G  14           H1*        G  14  -7.166  -3.779   4.558
  152    H8     G  14           H8         G  14  -7.341  -2.702   1.006
  153    H1     G  14           H1         G  14  -1.612  -5.055   2.676
  154   1H2     G  14          1H2         G  14  -1.471  -5.248   4.855
  155   2H2     G  14          2H2         G  14  -2.785  -4.801   5.919
  156   1H5*    C  15          1H5*        C  15  -6.456  -0.244   6.564
  157   2H5*    C  15          2H5*        C  15  -6.749   1.389   7.193
  158    H4*    C  15           H4*        C  15  -4.885   0.856   8.357
  159    H3*    C  15           H3*        C  15  -3.966   2.240   5.868
  160    H2*    C  15           H2*        C  15  -1.666   1.766   6.422
  161   2HO*    C  15          2HO*        C  15  -1.652   0.300   8.538
  162    H1*    C  15           H1*        C  15  -2.037  -0.898   6.989
  163   1H4     C  15          1H4         C  15  -1.313  -1.111   0.697
  164   2H4     C  15          2H4         C  15  -2.918  -0.464   0.450
  165    H5     C  15           H5         C  15  -4.350   0.244   2.268
  166    H6     C  15           H6         C  15  -4.530   0.478   4.688
  167   1H5*    U  16          1H5*        U  16  -0.096   4.508   8.146
  168   2H5*    U  16          2H5*        U  16   0.109   4.633   6.387
  169    H4*    U  16           H4*        U  16   0.662   2.375   8.230
  170    H3*    U  16           H3*        U  16   2.112   3.691   5.971
  171    H2*    U  16           H2*        U  16   3.096   1.593   5.323
  172   2HO*    U  16          2HO*        U  16   2.999  -0.202   6.653
  173    H1*    U  16           H1*        U  16   0.777   0.078   5.530
  174    H3     U  16           H3         U  16   2.244   1.534   1.232
  175    H5     U  16           H5         U  16  -1.450   3.272   2.235
  176    H6     U  16           H6         U  16  -1.094   2.533   4.492
  177   1H5*    A  17          1H5*        A  17   5.979   4.636   6.481
  178   2H5*    A  17          2H5*        A  17   4.920   4.757   5.064
  179    H4*    A  17           H4*        A  17   7.524   3.342   5.394
  180    H3*    A  17           H3*        A  17   6.463   5.410   3.537
  181    H2*    A  17           H2*        A  17   7.551   4.421   1.638
  182   2HO*    A  17          2HO*        A  17   9.072   3.268   3.657
  183    H1*    A  17           H1*        A  17   6.836   1.809   2.146
  184    H8     A  17           H8         A  17   3.833   3.260   3.505
  185   1H6     A  17          1H6         A  17   1.897   4.563  -2.230
  186   2H6     A  17          2H6         A  17   1.423   4.433  -0.551
  187    H2     A  17           H2         A  17   6.257   3.540  -2.433
  188   1H5*    A  18          1H5*        A  18  11.338   5.088   2.944
  189   2H5*    A  18          2H5*        A  18  11.532   6.851   2.941
  190    H4*    A  18           H4*        A  18  12.731   5.626   1.122
  191    H3*    A  18           H3*        A  18  10.895   7.921   0.577
  192    H2*    A  18           H2*        A  18  11.154   7.620  -1.800
  193   2HO*    A  18          2HO*        A  18  13.501   6.712  -1.148
  194    H1*    A  18           H1*        A  18  10.777   4.883  -1.806
  195    H8     A  18           H8         A  18   8.694   6.191   1.019
  196   1H6     A  18          1H6         A  18   4.271   7.326  -3.160
  197   2H6     A  18          2H6         A  18   4.644   7.241  -1.453
  198    H2     A  18           H2         A  18   8.045   6.330  -5.366
  199    H1*  OMG  19           H1*      OMG  19  10.943   9.712  -4.823
  200    H2*  OMG  19           H2*      OMG  19  10.914  12.417  -4.247
  201    H3*  OMG  19           H3*      OMG  19  12.234  12.266  -2.236
  202    H4*  OMG  19           H4*      OMG  19  14.224  10.516  -3.628
  203   1HM2  OMG  19          1HM2      OMG  19  10.553  11.814  -6.463
  204   2HM2  OMG  19          2HM2      OMG  19  11.955  11.916  -7.525
  205   3HM2  OMG  19          3HM2      OMG  19  11.469  10.361  -6.856
  206   1H5*  OMG  19          1H5*      OMG  19  14.311   9.257  -1.569
  207   2H5*  OMG  19          2H5*      OMG  19  14.540  10.988  -1.259
  208    H8   OMG  19           H8       OMG  19  11.037   9.702  -1.139
  209    HN1  OMG  19           HN1      OMG  19   5.246  11.168  -3.475
  210   1HN2  OMG  19          1HN2      OMG  19   5.373  11.615  -5.614
  211   2HN2  OMG  19          2HN2      OMG  19   6.885  11.560  -6.492
  212   1H5*    A  20          1H5*        A  20  13.551  15.415  -5.366
  213   2H5*    A  20          2H5*        A  20  13.535  16.836  -4.304
  214    H4*    A  20           H4*        A  20  12.056  16.977  -6.310
  215    H3*    A  20           H3*        A  20  10.977  17.405  -3.546
  216    H2*    A  20           H2*        A  20   8.778  17.767  -4.483
  217   2HO*    A  20          2HO*        A  20   9.240  18.838  -6.395
  218    H1*    A  20           H1*        A  20   8.811  15.492  -6.035
  219    H8     A  20           H8         A  20  10.972  14.674  -3.098
  220   1H6     A  20          1H6         A  20   5.780  13.357   0.012
  221   2H6     A  20          2H6         A  20   7.527  13.266   0.031
  222    H2     A  20           H2         A  20   4.630  15.331  -3.848
  223    H3T    A  20           H3T        A  20  11.430  19.344  -3.983
  Start of MODEL    3
    1    HN1  PSU   1           HN1      PSU   1   0.682  15.399   0.100
    2    HN3  PSU   1           HN3      PSU   1   3.950  15.748  -2.316
    3    H6   PSU   1           H6       PSU   1  -0.792  15.741  -1.758
    4    H1*  PSU   1           H1*      PSU   1   0.378  16.871  -5.013
    5    H2*  PSU   1           H2*      PSU   1   0.170  14.109  -4.875
    6   *HO2  PSU   1          *HO2      PSU   1  -1.397  15.960  -6.391
    7    H3*  PSU   1           H3*      PSU   1  -1.662  14.051  -3.319
    8    H4*  PSU   1           H4*      PSU   1  -3.091  16.187  -4.846
    9   1H5*  PSU   1          1H5*      PSU   1  -3.490  17.138  -2.558
   10   2H5*  PSU   1          2H5*      PSU   1  -4.210  15.553  -2.889
   11    H5T  PSU   1           H5T      PSU   1  -3.051  15.803  -0.833
   12   1H5*    C   2          1H5*        C   2  -1.764  14.031  -7.812
   13   2H5*    C   2          2H5*        C   2  -2.386  12.416  -8.204
   14    H4*    C   2           H4*        C   2  -0.721  13.012  -9.801
   15    H3*    C   2           H3*        C   2  -0.046  10.775  -7.951
   16    H2*    C   2           H2*        C   2   2.205  10.650  -8.774
   17   2HO*    C   2          2HO*        C   2   1.221  12.410 -10.795
   18    H1*    C   2           H1*        C   2   2.723  13.368  -8.791
   19   1H4     C   2          1H4         C   2   4.412  11.909  -2.871
   20   2H4     C   2          2H4         C   2   2.745  11.665  -2.407
   21    H5     C   2           H5         C   2   0.905  11.810  -3.970
   22    H6     C   2           H6         C   2   0.294  12.180  -6.301
   23   1H5*    U   3          1H5*        U   3   1.812   9.694 -11.258
   24   2H5*    U   3          2H5*        U   3   0.737   8.560 -12.101
   25    H4*    U   3           H4*        U   3   2.722   7.567 -12.516
   26    H3*    U   3           H3*        U   3   1.634   6.360 -10.020
   27    H2*    U   3           H2*        U   3   3.683   5.213  -9.553
   28   2HO*    U   3          2HO*        U   3   5.417   5.570 -11.289
   29    H1*    U   3           H1*        U   3   5.421   7.283 -10.188
   30    H3     U   3           H3         U   3   5.773   7.692  -5.765
   31    H5     U   3           H5         U   3   1.755   8.677  -6.479
   32    H6     U   3           H6         U   3   2.100   8.094  -8.787
   33   1H5*    C   4          1H5*        C   4   2.590   1.547 -10.517
   34   2H5*    C   4          2H5*        C   4   1.486   2.257  -9.324
   35    H4*    C   4           H4*        C   4   4.276   1.417  -9.066
   36    H3*    C   4           H3*        C   4   1.927   1.668  -7.209
   37    H2*    C   4           H2*        C   4   3.438   1.812  -5.352
   38   2HO*    C   4          2HO*        C   4   5.607   1.257  -5.565
   39    H1*    C   4           H1*        C   4   5.324   3.466  -6.640
   40   1H4     C   4          1H4         C   4   1.677   7.302  -3.103
   41   2H4     C   4          2H4         C   4   0.655   7.577  -4.495
   42    H5     C   4           H5         C   4   0.919   6.370  -6.579
   43    H6     C   4           H6         C   4   2.211   4.659  -7.742
   44    H1*  OMG   5           H1*      OMG   5   6.688  -0.363  -2.551
   45    H2*  OMG   5           H2*      OMG   5   5.870  -2.958  -2.145
   46    H3*  OMG   5           H3*      OMG   5   4.633  -3.195  -4.193
   47    H4*  OMG   5           H4*      OMG   5   6.853  -2.028  -5.802
   48   1HM2  OMG   5          1HM2      OMG   5   9.372  -2.206  -1.870
   49   2HM2  OMG   5          2HM2      OMG   5   8.369  -3.556  -1.343
   50   3HM2  OMG   5          3HM2      OMG   5   7.812  -1.900  -1.107
   51   1H5*  OMG   5          1H5*      OMG   5   5.022  -0.681  -6.837
   52   2H5*  OMG   5          2H5*      OMG   5   4.870  -2.442  -7.008
   53    H8   OMG   5           H8       OMG   5   3.546  -0.113  -4.322
   54    HN1  OMG   5           HN1      OMG   5   2.620  -0.771   1.990
   55   1HN2  OMG   5          1HN2      OMG   5   4.468  -1.417   2.971
   56   2HN2  OMG   5          2HN2      OMG   5   5.950  -1.698   2.082
   57    H1*  OMG   6           H1*      OMG   6   5.590  -3.505   1.324
   58    H2*  OMG   6           H2*      OMG   6   4.198  -5.925   1.694
   59    H3*  OMG   6           H3*      OMG   6   4.747  -6.830  -0.466
   60    H4*  OMG   6           H4*      OMG   6   7.550  -5.792  -0.101
   61   1HM2  OMG   6          1HM2      OMG   6   4.778  -4.935   3.662
   62   2HM2  OMG   6          2HM2      OMG   6   6.333  -5.372   4.367
   63   3HM2  OMG   6          3HM2      OMG   6   6.184  -3.906   3.401
   64   1H5*  OMG   6          1H5*      OMG   6   7.655  -5.497  -2.430
   65   2H5*  OMG   6          2H5*      OMG   6   6.905  -7.082  -2.157
   66    H8   OMG   6           H8       OMG   6   3.968  -4.038  -1.917
   67    HN1  OMG   6           HN1      OMG   6  -0.176  -2.258   2.645
   68   1HN2  OMG   6          1HN2      OMG   6   0.739  -2.436   4.620
   69   2HN2  OMG   6          2HN2      OMG   6   2.382  -2.997   4.843
   70   1H5*    C   7          1H5*        C   7   6.015  -8.849   3.228
   71   2H5*    C   7          2H5*        C   7   5.284 -10.465   3.211
   72    H4*    C   7           H4*        C   7   4.662  -9.194   5.197
   73    H3*    C   7           H3*        C   7   2.462  -9.994   3.312
   74    H2*    C   7           H2*        C   7   0.869  -8.905   4.751
   75   2HO*    C   7          2HO*        C   7   2.360  -7.863   6.681
   76    H1*    C   7           H1*        C   7   2.417  -6.617   5.203
   77   1H4     C   7          1H4         C   7  -1.352  -5.111   0.322
   78   2H4     C   7          2H4         C   7  -0.196  -5.803  -0.793
   79    H5     C   7           H5         C   7   1.784  -6.995  -0.063
   80    H6     C   7           H6         C   7   3.036  -7.779   1.878
   81   1H5*    C   8          1H5*        C   8   1.682 -11.372   7.444
   82   2H5*    C   8          2H5*        C   8   1.094 -13.045   7.370
   83    H4*    C   8           H4*        C   8  -0.209 -11.638   8.897
   84    H3*    C   8           H3*        C   8  -1.542 -13.000   6.600
   85    H2*    C   8           H2*        C   8  -3.631 -11.907   7.075
   86   2HO*    C   8          2HO*        C   8  -3.438 -10.347   9.021
   87    H1*    C   8           H1*        C   8  -2.604  -9.373   7.432
   88   1H4     C   8          1H4         C   8  -3.702  -9.797   1.173
   89   2H4     C   8          2H4         C   8  -2.028 -10.244   0.932
   90    H5     C   8           H5         C   8  -0.507 -10.685   2.763
   91    H6     C   8           H6         C   8  -0.269 -10.733   5.190
   92    HN1  PSU   9           HN1      PSU   9  -3.473 -12.978   3.477
   93    HN3  PSU   9           HN3      PSU   9  -6.444 -10.881   1.627
   94    H6   PSU   9           H6       PSU   9  -4.705 -13.005   5.533
   95    H1*  PSU   9           H1*      PSU   9  -7.839 -11.123   5.976
   96    H2*  PSU   9           H2*      PSU   9  -7.920 -13.873   5.333
   97   *HO2  PSU   9          *HO2      PSU   9  -9.215 -12.089   6.863
   98    H3*  PSU   9           H3*      PSU   9  -6.031 -14.440   6.722
   99    H4*  PSU   9           H4*      PSU   9  -7.183 -12.612   8.822
  100   1H5*  PSU   9          1H5*      PSU   9  -4.715 -12.015   9.116
  101   2H5*  PSU   9          2H5*      PSU   9  -5.272 -13.602   9.679
  102   1H5*    U  10          1H5*        U  10 -10.164 -16.628   5.292
  103   2H5*    U  10          2H5*        U  10  -9.832 -14.925   4.926
  104    H4*    U  10           H4*        U  10 -12.291 -15.998   5.024
  105    H3*    U  10           H3*        U  10 -11.502 -13.523   4.461
  106    H2*    U  10           H2*        U  10 -11.064 -12.787   6.727
  107   2HO*    U  10          2HO*        U  10 -12.465 -11.197   6.412
  108    H1*    U  10           H1*        U  10 -13.685 -14.100   7.624
  109    H3     U  10           H3         U  10 -12.862 -12.842  11.821
  110    H5     U  10           H5         U  10  -9.176 -14.422  10.575
  111    H6     U  10           H6         U  10 -10.125 -14.705   8.381
  112   1H5*    U  11          1H5*        U  11 -12.877 -10.803   4.095
  113   2H5*    U  11          2H5*        U  11 -14.317 -11.052   3.088
  114    H4*    U  11           H4*        U  11 -13.042  -9.081   2.417
  115    H3*    U  11           H3*        U  11 -14.221 -10.647   0.645
  116    H2*    U  11           H2*        U  11 -12.452 -12.268   0.353
  117   2HO*    U  11          2HO*        U  11 -11.267 -11.546  -1.576
  118    H1*    U  11           H1*        U  11 -10.374 -10.031   0.205
  119    H3     U  11           H3         U  11  -6.904 -12.776   0.527
  120    H5     U  11           H5         U  11  -9.904 -14.881   2.580
  121    H6     U  11           H6         U  11 -11.397 -13.054   2.116
  122   1H5*    U  12          1H5*        U  12 -12.063  -8.571  -3.969
  123   2H5*    U  12          2H5*        U  12 -11.803  -9.510  -2.487
  124    H4*    U  12           H4*        U  12 -11.258  -6.816  -1.865
  125    H3*    U  12           H3*        U  12 -10.842  -6.740  -4.498
  126    H2*    U  12           H2*        U  12  -9.421  -8.696  -4.659
  127   2HO*    U  12          2HO*        U  12  -8.279  -6.537  -5.167
  128    H1*    U  12           H1*        U  12  -7.933  -7.742  -2.148
  129    H3     U  12           H3         U  12  -5.252 -11.304  -2.538
  130    H5     U  12           H5         U  12  -9.105 -12.962  -2.765
  131    H6     U  12           H6         U  12  -9.985 -10.722  -2.758
  132    H1*  OMG  13           H1*      OMG  13 -10.562  -6.466   2.883
  133    H2*  OMG  13           H2*      OMG  13  -9.092  -4.122   2.758
  134    H3*  OMG  13           H3*      OMG  13  -9.824  -3.467   0.559
  135    H4*  OMG  13           H4*      OMG  13 -12.663  -4.078   1.279
  136   1HM2  OMG  13          1HM2      OMG  13  -9.724  -5.220   4.819
  137   2HM2  OMG  13          2HM2      OMG  13 -11.399  -5.768   4.793
  138   3HM2  OMG  13          3HM2      OMG  13 -10.964  -4.310   5.680
  139   1H5*  OMG  13          1H5*      OMG  13 -12.579  -5.249  -1.001
  140   2H5*  OMG  13          2H5*      OMG  13 -12.526  -3.476  -0.940
  141    H8   OMG  13           H8       OMG  13  -9.594  -5.961  -0.707
  142    HN1  OMG  13           HN1      OMG  13  -5.009  -8.551   2.946
  143   1HN2  OMG  13          1HN2      OMG  13  -5.536  -8.409   5.057
  144   2HN2  OMG  13          2HN2      OMG  13  -7.031  -7.678   5.595
  145   1H5*    G  14          1H5*        G  14 -10.754  -1.720   4.162
  146   2H5*    G  14          2H5*        G  14 -10.143  -0.071   4.405
  147    H4*    G  14           H4*        G  14  -9.508  -1.555   6.228
  148    H3*    G  14           H3*        G  14  -7.312  -0.355   4.571
  149    H2*    G  14           H2*        G  14  -5.683  -1.529   5.897
  150   2HO*    G  14          2HO*        G  14  -7.669  -1.410   7.724
  151    H1*    G  14           H1*        G  14  -7.052  -3.965   5.940
  152    H8     G  14           H8         G  14  -7.623  -2.501   2.566
  153    H1     G  14           H1         G  14  -1.870  -5.263   3.212
  154   1H2     G  14          1H2         G  14  -1.465  -5.701   5.321
  155   2H2     G  14          2H2         G  14  -2.605  -5.320   6.591
  156   1H5*    C  15          1H5*        C  15  -5.901  -0.607   8.142
  157   2H5*    C  15          2H5*        C  15  -6.015   0.987   8.913
  158    H4*    C  15           H4*        C  15  -4.018   0.319   9.730
  159    H3*    C  15           H3*        C  15  -3.443   1.816   7.208
  160    H2*    C  15           H2*        C  15  -1.114   1.211   7.329
  161   2HO*    C  15          2HO*        C  15  -0.215   0.635   9.193
  162    H1*    C  15           H1*        C  15  -1.511  -1.464   7.840
  163   1H4     C  15          1H4         C  15  -1.793  -1.371   1.510
  164   2H4     C  15          2H4         C  15  -3.379  -0.637   1.551
  165    H5     C  15           H5         C  15  -4.471   0.035   3.603
  166    H6     C  15           H6         C  15  -4.259   0.145   6.031
  167   1H5*    U  16          1H5*        U  16   1.152   4.164   9.031
  168   2H5*    U  16          2H5*        U  16   0.207   4.056   7.534
  169    H4*    U  16           H4*        U  16   1.528   1.734   8.936
  170    H3*    U  16           H3*        U  16   2.544   3.447   6.690
  171    H2*    U  16           H2*        U  16   3.372   1.490   5.577
  172   2HO*    U  16          2HO*        U  16   2.663  -0.004   7.905
  173    H1*    U  16           H1*        U  16   1.154  -0.149   6.163
  174    H3     U  16           H3         U  16   1.900   1.356   1.712
  175    H5     U  16           H5         U  16  -1.576   3.093   3.320
  176    H6     U  16           H6         U  16  -0.866   2.317   5.480
  177   1H5*    A  17          1H5*        A  17   4.927   5.070   5.557
  178   2H5*    A  17          2H5*        A  17   4.536   3.348   5.731
  179    H4*    A  17           H4*        A  17   7.325   3.553   5.964
  180    H3*    A  17           H3*        A  17   6.337   5.501   3.941
  181    H2*    A  17           H2*        A  17   7.777   4.611   2.234
  182   2HO*    A  17          2HO*        A  17   9.326   4.032   4.248
  183    H1*    A  17           H1*        A  17   7.220   1.951   2.673
  184    H8     A  17           H8         A  17   3.947   3.111   3.605
  185   1H6     A  17          1H6         A  17   2.682   4.280  -2.344
  186   2H6     A  17          2H6         A  17   2.003   4.093  -0.744
  187    H2     A  17           H2         A  17   7.106   3.661  -1.958
  188   1H5*    A  18          1H5*        A  18  10.980   5.754   3.514
  189   2H5*    A  18          2H5*        A  18  11.089   7.525   3.559
  190    H4*    A  18           H4*        A  18  12.222   6.327   1.632
  191    H3*    A  18           H3*        A  18  10.410   8.689   1.286
  192    H2*    A  18           H2*        A  18  10.644   8.526  -1.104
  193   2HO*    A  18          2HO*        A  18  12.101   6.777  -1.896
  194    H1*    A  18           H1*        A  18  10.322   5.761  -1.243
  195    H8     A  18           H8         A  18   8.075   6.996   1.490
  196   1H6     A  18          1H6         A  18   3.881   8.164  -2.914
  197   2H6     A  18          2H6         A  18   4.160   8.053  -1.191
  198    H2     A  18           H2         A  18   7.785   7.233  -4.919
  199    H1*  OMG  19           H1*      OMG  19  11.482  10.087  -4.586
  200    H2*  OMG  19           H2*      OMG  19  11.750  12.826  -4.218
  201    H3*  OMG  19           H3*      OMG  19  12.739  12.717  -2.030
  202    H4*  OMG  19           H4*      OMG  19  14.584  10.534  -2.906
  203   1HM2  OMG  19          1HM2      OMG  19  12.502  10.346  -6.513
  204   2HM2  OMG  19          2HM2      OMG  19  11.569  11.834  -6.380
  205   3HM2  OMG  19          3HM2      OMG  19  13.104  11.830  -7.245
  206   1H5*  OMG  19          1H5*      OMG  19  14.143   9.523  -0.757
  207   2H5*  OMG  19          2H5*      OMG  19  14.613  11.224  -0.573
  208    H8   OMG  19           H8       OMG  19  10.973  10.698  -0.941
  209    HN1  OMG  19           HN1      OMG  19   5.812  11.994  -4.522
  210   1HN2  OMG  19          1HN2      OMG  19   6.339  12.019  -6.645
  211   2HN2  OMG  19          2HN2      OMG  19   7.967  11.713  -7.207
  212   1H5*    A  20          1H5*        A  20  13.561  13.694  -6.118
  213   2H5*    A  20          2H5*        A  20  14.153  15.363  -5.994
  214    H4*    A  20           H4*        A  20  12.255  15.066  -7.558
  215    H3*    A  20           H3*        A  20  12.079  17.002  -5.280
  216    H2*    A  20           H2*        A  20   9.804  17.482  -5.790
  217   2HO*    A  20          2HO*        A  20  10.585  17.397  -8.203
  218    H1*    A  20           H1*        A  20   9.096  14.874  -6.710
  219    H8     A  20           H8         A  20  10.898  15.105  -3.363
  220   1H6     A  20          1H6         A  20   5.254  15.254  -0.819
  221   2H6     A  20          2H6         A  20   6.970  15.138  -0.498
  222    H2     A  20           H2         A  20   4.783  15.544  -5.268
  223    H3T    A  20           H3T        A  20  13.130  17.944  -6.740
  Start of MODEL    4
    1    HN1  PSU   1           HN1      PSU   1   0.187  13.383   1.374
    2    HN3  PSU   1           HN3      PSU   1   2.972  13.825  -1.573
    3    H6   PSU   1           H6       PSU   1  -1.587  13.889  -0.158
    4    H1*  PSU   1           H1*      PSU   1  -0.988  15.187  -3.505
    5    H2*  PSU   1           H2*      PSU   1  -1.273  12.434  -3.494
    6   *HO2  PSU   1          *HO2      PSU   1  -2.610  14.581  -4.681
    7    H3*  PSU   1           H3*      PSU   1  -2.749  12.318  -1.599
    8    H4*  PSU   1           H4*      PSU   1  -4.403  14.563  -2.671
    9   1H5*  PSU   1          1H5*      PSU   1  -4.225  15.394  -0.288
   10   2H5*  PSU   1          2H5*      PSU   1  -5.110  13.882  -0.563
   11    H5T  PSU   1           H5T      PSU   1  -3.247  14.170   1.137
   12   1H5*    C   2          1H5*        C   2  -3.722  12.431  -5.994
   13   2H5*    C   2          2H5*        C   2  -4.459  10.843  -6.279
   14    H4*    C   2           H4*        C   2  -3.103  11.388  -8.152
   15    H3*    C   2           H3*        C   2  -2.104   9.151  -6.443
   16    H2*    C   2           H2*        C   2  -0.086   8.979  -7.740
   17   2HO*    C   2          2HO*        C   2   0.019   9.729  -9.761
   18    H1*    C   2           H1*        C   2   0.457  11.691  -7.858
   19   1H4     C   2          1H4         C   2   3.352  10.115  -2.456
   20   2H4     C   2          2H4         C   2   1.818   9.935  -1.635
   21    H5     C   2           H5         C   2  -0.313  10.160  -2.761
   22    H6     C   2           H6         C   2  -1.403  10.578  -4.902
   23   1H5*    U   3          1H5*        U   3  -1.190   7.624 -10.143
   24   2H5*    U   3          2H5*        U   3  -2.403   6.361 -10.430
   25    H4*    U   3           H4*        U   3  -0.542   5.251 -11.074
   26    H3*    U   3           H3*        U   3  -0.938   4.655  -8.173
   27    H2*    U   3           H2*        U   3   1.177   3.515  -8.061
   28   2HO*    U   3          2HO*        U   3   0.678   3.052 -10.617
   29    H1*    U   3           H1*        U   3   2.641   5.416  -9.443
   30    H3     U   3           H3         U   3   3.881   6.432  -5.256
   31    H5     U   3           H5         U   3  -0.098   7.764  -5.456
   32    H6     U   3           H6         U   3  -0.247   6.747  -7.632
   33   1H5*    C   4          1H5*        C   4   1.551   1.672  -9.526
   34   2H5*    C   4          2H5*        C   4   0.583   0.193  -9.376
   35    H4*    C   4           H4*        C   4   2.766  -0.062  -8.351
   36    H3*    C   4           H3*        C   4   0.349  -0.244  -6.601
   37    H2*    C   4           H2*        C   4   1.731  -0.516  -4.650
   38   2HO*    C   4          2HO*        C   4   4.034  -0.598  -4.883
   39    H1*    C   4           H1*        C   4   3.424   1.585  -5.218
   40   1H4     C   4          1H4         C   4  -1.305   4.533  -2.206
   41   2H4     C   4          2H4         C   4  -2.308   4.466  -3.638
   42    H5     C   4           H5         C   4  -1.633   3.322  -5.664
   43    H6     C   4           H6         C   4   0.135   2.016  -6.722
   44    H1*  OMG   5           H1*      OMG   5   6.092  -1.410  -2.986
   45    H2*  OMG   5           H2*      OMG   5   5.977  -3.714  -1.464
   46    H3*  OMG   5           H3*      OMG   5   4.330  -4.848  -2.801
   47    H4*  OMG   5           H4*      OMG   5   5.774  -4.129  -5.315
   48   1HM2  OMG   5          1HM2      OMG   5   9.321  -3.228  -2.289
   49   2HM2  OMG   5          2HM2      OMG   5   8.043  -3.029  -1.092
   50   3HM2  OMG   5          3HM2      OMG   5   8.294  -1.796  -2.327
   51   1H5*  OMG   5          1H5*      OMG   5   3.864  -4.838  -6.169
   52   2H5*  OMG   5          2H5*      OMG   5   3.054  -4.787  -4.590
   53    H8   OMG   5           H8       OMG   5   2.586  -2.174  -3.492
   54    HN1  OMG   5           HN1      OMG   5   3.737  -0.326   2.541
   55   1HN2  OMG   5          1HN2      OMG   5   5.885  -0.387   2.964
   56   2HN2  OMG   5          2HN2      OMG   5   7.060  -0.881   1.765
   57    H1*  OMG   6           H1*      OMG   6   5.858  -3.632   2.853
   58    H2*  OMG   6           H2*      OMG   6   4.587  -6.099   3.253
   59    H3*  OMG   6           H3*      OMG   6   5.140  -7.001   1.092
   60    H4*  OMG   6           H4*      OMG   6   7.922  -5.906   1.395
   61   1HM2  OMG   6          1HM2      OMG   6   6.270  -4.087   5.018
   62   2HM2  OMG   6          2HM2      OMG   6   5.115  -5.391   5.280
   63   3HM2  OMG   6          3HM2      OMG   6   6.759  -5.531   5.900
   64   1H5*  OMG   6          1H5*      OMG   6   7.500  -5.244  -1.051
   65   2H5*  OMG   6          2H5*      OMG   6   7.763  -6.954  -0.650
   66    H8   OMG   6           H8       OMG   6   4.247  -4.594  -0.371
   67    HN1  OMG   6           HN1      OMG   6   0.172  -2.126   3.926
   68   1HN2  OMG   6          1HN2      OMG   6   1.122  -1.994   5.891
   69   2HN2  OMG   6          2HN2      OMG   6   2.769  -2.514   6.170
   70   1H5*    C   7          1H5*        C   7   6.271  -8.681   4.908
   71   2H5*    C   7          2H5*        C   7   5.637 -10.338   4.930
   72    H4*    C   7           H4*        C   7   4.788  -9.062   6.800
   73    H3*    C   7           H3*        C   7   2.770  -9.943   4.756
   74    H2*    C   7           H2*        C   7   1.040  -8.880   6.048
   75   2HO*    C   7          2HO*        C   7   1.397  -8.212   8.148
   76    H1*    C   7           H1*        C   7   2.505  -6.551   6.608
   77   1H4     C   7          1H4         C   7  -0.838  -4.976   1.463
   78   2H4     C   7          2H4         C   7   0.318  -5.793   0.434
   79    H5     C   7           H5         C   7   2.166  -7.095   1.306
   80    H6     C   7           H6         C   7   3.280  -7.865   3.335
   81   1H5*    C   8          1H5*        C   8   1.360 -11.516   8.621
   82   2H5*    C   8          2H5*        C   8   0.625 -13.103   8.324
   83    H4*    C   8           H4*        C   8  -0.910 -11.655   9.493
   84    H3*    C   8           H3*        C   8  -1.668 -12.517   6.728
   85    H2*    C   8           H2*        C   8  -3.659 -11.168   6.827
   86   2HO*    C   8          2HO*        C   8  -3.617  -9.913   9.093
   87    H1*    C   8           H1*        C   8  -2.454  -8.910   7.881
   88   1H4     C   8          1H4         C   8  -1.791  -7.884   1.675
   89   2H4     C   8          2H4         C   8  -0.573  -9.134   1.548
   90    H5     C   8           H5         C   8   0.075 -10.534   3.416
   91    H6     C   8           H6         C   8  -0.349 -11.047   5.764
   92    HN1  PSU   9           HN1      PSU   9  -3.054 -11.126   2.970
   93    HN3  PSU   9           HN3      PSU   9  -5.883  -8.973   0.971
   94    H6   PSU   9           H6       PSU   9  -4.506 -11.378   4.857
   95    H1*  PSU   9           H1*      PSU   9  -7.634  -9.560   5.198
   96    H2*  PSU   9           H2*      PSU   9  -7.846 -12.163   4.041
   97   *HO2  PSU   9          *HO2      PSU   9  -9.138 -11.066   6.345
   98    H3*  PSU   9           H3*      PSU   9  -6.351 -13.175   5.630
   99    H4*  PSU   9           H4*      PSU   9  -7.629 -11.425   7.728
  100   1H5*  PSU   9          1H5*      PSU   9  -5.228 -11.289   8.567
  101   2H5*  PSU   9          2H5*      PSU   9  -6.097 -12.822   8.776
  102   1H5*    U  10          1H5*        U  10 -10.210 -14.753   3.129
  103   2H5*    U  10          2H5*        U  10  -9.101 -13.422   2.745
  104    H4*    U  10           H4*        U  10 -11.614 -13.380   1.997
  105    H3*    U  10           H3*        U  10  -9.790 -11.442   1.905
  106    H2*    U  10           H2*        U  10  -9.979 -10.695   4.201
  107   2HO*    U  10          2HO*        U  10 -11.611  -9.279   2.419
  108    H1*    U  10           H1*        U  10 -13.032 -10.875   3.963
  109    H3     U  10           H3         U  10 -12.819  -9.139   8.159
  110    H5     U  10           H5         U  10 -11.069 -12.946   8.454
  111    H6     U  10           H6         U  10 -11.150 -13.085   6.052
  112   1H5*    U  11          1H5*        U  11  -9.759  -9.631   0.042
  113   2H5*    U  11          2H5*        U  11 -11.034  -8.433  -0.262
  114    H4*    U  11           H4*        U  11 -10.068  -7.747  -2.116
  115    H3*    U  11           H3*        U  11 -10.926 -10.019  -3.206
  116    H2*    U  11           H2*        U  11  -9.123 -11.459  -2.500
  117   2HO*    U  11          2HO*        U  11  -8.920 -10.477  -5.041
  118    H1*    U  11           H1*        U  11  -7.094  -9.277  -3.205
  119    H3     U  11           H3         U  11  -3.700 -11.538  -1.445
  120    H5     U  11           H5         U  11  -6.897 -12.613   1.057
  121    H6     U  11           H6         U  11  -8.326 -11.249  -0.309
  122   1H5*    U  12          1H5*        U  12  -8.472  -5.931  -5.228
  123   2H5*    U  12          2H5*        U  12  -8.081  -7.017  -3.880
  124    H4*    U  12           H4*        U  12  -8.853  -4.606  -2.702
  125    H3*    U  12           H3*        U  12  -8.272  -3.634  -5.102
  126    H2*    U  12           H2*        U  12  -6.134  -4.739  -5.401
  127   2HO*    U  12          2HO*        U  12  -6.067  -2.179  -4.970
  128    H1*    U  12           H1*        U  12  -5.387  -3.998  -2.521
  129    H3     U  12           H3         U  12  -1.849  -6.109  -4.978
  130    H5     U  12           H5         U  12  -3.873  -8.847  -2.520
  131    H6     U  12           H6         U  12  -5.596  -7.193  -2.226
  132    H1*  OMG  13           H1*      OMG  13  -9.454  -5.136   2.947
  133    H2*  OMG  13           H2*      OMG  13  -8.173  -2.690   2.879
  134    H3*  OMG  13           H3*      OMG  13  -8.585  -2.241   0.549
  135    H4*  OMG  13           H4*      OMG  13 -11.456  -3.017   0.864
  136   1HM2  OMG  13          1HM2      OMG  13 -10.649  -4.399   4.640
  137   2HM2  OMG  13          2HM2      OMG  13 -10.476  -2.858   5.478
  138   3HM2  OMG  13          3HM2      OMG  13  -9.048  -3.706   4.890
  139   1H5*  OMG  13          1H5*      OMG  13 -10.515  -4.450  -1.266
  140   2H5*  OMG  13          2H5*      OMG  13 -11.306  -2.863  -1.338
  141    H8   OMG  13           H8       OMG  13  -7.862  -4.391  -0.439
  142    HN1  OMG  13           HN1      OMG  13  -4.086  -7.354   3.809
  143   1HN2  OMG  13          1HN2      OMG  13  -5.040  -7.419   5.771
  144   2HN2  OMG  13          2HN2      OMG  13  -6.626  -6.737   6.058
  145   1H5*    G  14          1H5*        G  14 -10.073  -0.383   3.990
  146   2H5*    G  14          2H5*        G  14  -9.454   1.270   4.177
  147    H4*    G  14           H4*        G  14  -9.007  -0.098   6.141
  148    H3*    G  14           H3*        G  14  -6.630   0.923   4.609
  149    H2*    G  14           H2*        G  14  -5.190  -0.150   6.212
  150   2HO*    G  14          2HO*        G  14  -7.390  -1.071   7.719
  151    H1*    G  14           H1*        G  14  -6.675  -2.531   6.350
  152    H8     G  14           H8         G  14  -6.554  -1.224   2.819
  153    H1     G  14           H1         G  14  -1.434  -4.685   4.539
  154   1H2     G  14          1H2         G  14  -1.450  -5.054   6.697
  155   2H2     G  14          2H2         G  14  -2.723  -4.457   7.738
  156   1H5*    C  15          1H5*        C  15  -5.595   0.947   8.314
  157   2H5*    C  15          2H5*        C  15  -5.647   2.614   8.920
  158    H4*    C  15           H4*        C  15  -3.754   1.907   9.931
  159    H3*    C  15           H3*        C  15  -2.909   3.085   7.312
  160    H2*    C  15           H2*        C  15  -0.642   2.368   7.691
  161   2HO*    C  15          2HO*        C  15  -0.807   2.857  10.030
  162    H1*    C  15           H1*        C  15  -1.265  -0.196   8.540
  163   1H4     C  15          1H4         C  15  -0.784  -1.066   2.291
  164   2H4     C  15          2H4         C  15  -2.268  -0.189   2.006
  165    H5     C  15           H5         C  15  -3.522   0.891   3.773
  166    H6     C  15           H6         C  15  -3.600   1.354   6.167
  167   1H5*    U  16          1H5*        U  16   1.695   4.977   8.862
  168   2H5*    U  16          2H5*        U  16   0.754   4.635   7.396
  169    H4*    U  16           H4*        U  16   1.955   2.532   9.189
  170    H3*    U  16           H3*        U  16   3.172   3.905   6.824
  171    H2*    U  16           H2*        U  16   3.946   1.812   5.953
  172   2HO*    U  16          2HO*        U  16   3.631   1.078   8.619
  173    H1*    U  16           H1*        U  16   1.635   0.338   6.539
  174    H3     U  16           H3         U  16   2.504   1.400   2.018
  175    H5     U  16           H5         U  16  -0.763   3.644   3.422
  176    H6     U  16           H6         U  16  -0.159   2.977   5.652
  177   1H5*    A  17          1H5*        A  17   6.424   4.363   6.420
  178   2H5*    A  17          2H5*        A  17   5.113   3.858   5.337
  179    H4*    A  17           H4*        A  17   7.918   2.751   5.328
  180    H3*    A  17           H3*        A  17   6.740   5.002   3.755
  181    H2*    A  17           H2*        A  17   7.745   4.178   1.730
  182   2HO*    A  17          2HO*        A  17   8.969   2.005   2.191
  183    H1*    A  17           H1*        A  17   7.021   1.528   2.079
  184    H8     A  17           H8         A  17   4.089   3.003   3.608
  185   1H6     A  17          1H6         A  17   1.993   4.513  -2.020
  186   2H6     A  17          2H6         A  17   1.576   4.354  -0.328
  187    H2     A  17           H2         A  17   6.311   3.368  -2.404
  188   1H5*    A  18          1H5*        A  18  11.005   4.431   2.417
  189   2H5*    A  18          2H5*        A  18  11.563   6.101   2.204
  190    H4*    A  18           H4*        A  18  11.809   4.543   0.229
  191    H3*    A  18           H3*        A  18  10.540   7.255   0.015
  192    H2*    A  18           H2*        A  18  10.133   6.859  -2.326
  193   2HO*    A  18          2HO*        A  18  12.255   5.651  -2.464
  194    H1*    A  18           H1*        A  18   9.174   4.259  -2.004
  195    H8     A  18           H8         A  18   8.161   6.543   0.864
  196   1H6     A  18          1H6         A  18   3.114   7.828  -2.484
  197   2H6     A  18          2H6         A  18   3.906   8.050  -0.940
  198    H2     A  18           H2         A  18   5.863   5.343  -5.009
  199    H1*  OMG  19           H1*      OMG  19  10.023   8.707  -5.732
  200    H2*  OMG  19           H2*      OMG  19  10.351  11.419  -5.091
  201    H3*  OMG  19           H3*      OMG  19  11.931  11.059  -3.313
  202    H4*  OMG  19           H4*      OMG  19  13.335   9.013  -5.008
  203   1HM2  OMG  19          1HM2      OMG  19   9.538  10.634  -7.223
  204   2HM2  OMG  19          2HM2      OMG  19  10.756  10.841  -8.478
  205   3HM2  OMG  19          3HM2      OMG  19  10.432   9.239  -7.821
  206   1H5*  OMG  19          1H5*      OMG  19  13.657   7.772  -2.957
  207   2H5*  OMG  19          2H5*      OMG  19  14.233   9.442  -2.786
  208    H8   OMG  19           H8       OMG  19  10.293   9.024  -2.014
  209    HN1  OMG  19           HN1      OMG  19   4.460  10.360  -4.325
  210   1HN2  OMG  19          1HN2      OMG  19   4.525  10.549  -6.506
  211   2HN2  OMG  19          2HN2      OMG  19   6.004  10.346  -7.417
  212   1H5*    A  20          1H5*        A  20  11.709  12.516  -7.421
  213   2H5*    A  20          2H5*        A  20  12.335  14.167  -7.245
  214    H4*    A  20           H4*        A  20  10.121  14.016  -8.358
  215    H3*    A  20           H3*        A  20  10.483  15.690  -5.896
  216    H2*    A  20           H2*        A  20   8.162  16.201  -5.857
  217   2HO*    A  20          2HO*        A  20   7.920  15.115  -8.479
  218    H1*    A  20           H1*        A  20   7.261  13.710  -6.966
  219    H8     A  20           H8         A  20   9.570  13.580  -3.942
  220   1H6     A  20          1H6         A  20   4.403  13.396  -0.533
  221   2H6     A  20          2H6         A  20   6.148  13.271  -0.503
  222    H2     A  20           H2         A  20   3.233  14.146  -4.796
  223    H3T    A  20           H3T        A  20   9.692  16.615  -8.360
  Start of MODEL    5
    1    HN1  PSU   1           HN1      PSU   1  -0.489  13.089   0.606
    2    HN3  PSU   1           HN3      PSU   1   2.636  13.969  -1.864
    3    H6   PSU   1           H6       PSU   1  -2.050  13.350  -1.196
    4    H1*  PSU   1           H1*      PSU   1  -1.068  14.695  -4.467
    5    H2*  PSU   1           H2*      PSU   1  -1.193  11.923  -4.260
    6   *HO2  PSU   1          *HO2      PSU   1  -3.201  12.895  -5.844
    7    H3*  PSU   1           H3*      PSU   1  -2.987  11.854  -2.663
    8    H4*  PSU   1           H4*      PSU   1  -4.486  13.938  -4.199
    9   1H5*  PSU   1          1H5*      PSU   1  -4.940  14.901  -1.959
   10   2H5*  PSU   1          2H5*      PSU   1  -5.531  13.245  -2.190
   11    H5T  PSU   1           H5T      PSU   1  -4.459  13.476  -0.195
   12   1H5*    C   2          1H5*        C   2  -3.452  11.594  -7.242
   13   2H5*    C   2          2H5*        C   2  -3.796   9.878  -7.534
   14    H4*    C   2           H4*        C   2  -2.280  10.743  -9.200
   15    H3*    C   2           H3*        C   2  -1.263   8.609  -7.372
   16    H2*    C   2           H2*        C   2   0.934   8.759  -8.332
   17   2HO*    C   2          2HO*        C   2  -0.326   9.360 -10.496
   18    H1*    C   2           H1*        C   2   1.086  11.530  -8.368
   19   1H4     C   2          1H4         C   2   3.427  10.283  -2.626
   20   2H4     C   2          2H4         C   2   1.851   9.812  -2.033
   21    H5     C   2           H5         C   2  -0.113   9.715  -3.446
   22    H6     C   2           H6         C   2  -0.953  10.014  -5.714
   23   1H5*    U   3          1H5*        U   3   0.234   7.250 -11.115
   24   2H5*    U   3          2H5*        U   3  -0.771   5.825 -11.453
   25    H4*    U   3           H4*        U   3   1.302   5.039 -11.976
   26    H3*    U   3           H3*        U   3   0.681   4.262  -9.161
   27    H2*    U   3           H2*        U   3   2.907   3.422  -8.826
   28   2HO*    U   3          2HO*        U   3   4.323   3.712 -10.869
   29    H1*    U   3           H1*        U   3   4.245   5.547  -9.992
   30    H3     U   3           H3         U   3   4.900   6.661  -5.711
   31    H5     U   3           H5         U   3   0.775   7.255  -6.241
   32    H6     U   3           H6         U   3   1.001   6.311  -8.444
   33   1H5*    C   4          1H5*        C   4   3.536   1.768 -10.650
   34   2H5*    C   4          2H5*        C   4   2.894   0.114 -10.611
   35    H4*    C   4           H4*        C   4   5.151   0.323  -9.646
   36    H3*    C   4           H3*        C   4   2.898  -0.768  -8.010
   37    H2*    C   4           H2*        C   4   4.324  -0.923  -6.077
   38   2HO*    C   4          2HO*        C   4   6.632   0.022  -6.703
   39    H1*    C   4           H1*        C   4   5.473   1.586  -6.332
   40   1H4     C   4          1H4         C   4   0.335   2.770  -2.814
   41   2H4     C   4          2H4         C   4  -0.674   2.782  -4.242
   42    H5     C   4           H5         C   4   0.162   2.231  -6.449
   43    H6     C   4           H6         C   4   2.131   1.559  -7.724
   44    H1*  OMG   5           H1*      OMG   5   6.248  -1.201  -3.172
   45    H2*  OMG   5           H2*      OMG   5   5.972  -3.580  -1.773
   46    H3*  OMG   5           H3*      OMG   5   4.613  -4.698  -3.414
   47    H4*  OMG   5           H4*      OMG   5   6.431  -3.777  -5.605
   48   1HM2  OMG   5          1HM2      OMG   5   7.938  -2.677  -1.080
   49   2HM2  OMG   5          2HM2      OMG   5   8.248  -1.448  -2.305
   50   3HM2  OMG   5          3HM2      OMG   5   9.385  -2.775  -2.082
   51   1H5*  OMG   5          1H5*      OMG   5   4.086  -5.025  -5.764
   52   2H5*  OMG   5          2H5*      OMG   5   3.502  -3.349  -5.752
   53    H8   OMG   5           H8       OMG   5   2.883  -1.906  -4.215
   54    HN1  OMG   5           HN1      OMG   5   3.109  -0.628   2.067
   55   1HN2  OMG   5          1HN2      OMG   5   5.168  -0.746   2.798
   56   2HN2  OMG   5          2HN2      OMG   5   6.512  -1.139   1.749
   57    H1*  OMG   6           H1*      OMG   6   5.642  -3.602   2.667
   58    H2*  OMG   6           H2*      OMG   6   4.427  -6.158   2.800
   59    H3*  OMG   6           H3*      OMG   6   5.218  -6.888   0.653
   60    H4*  OMG   6           H4*      OMG   6   7.851  -5.557   1.259
   61   1HM2  OMG   6          1HM2      OMG   6   6.230  -5.468   5.645
   62   2HM2  OMG   6          2HM2      OMG   6   6.419  -4.005   4.682
   63   3HM2  OMG   6          3HM2      OMG   6   4.862  -4.830   4.736
   64   1H5*  OMG   6          1H5*      OMG   6   7.659  -4.858  -1.181
   65   2H5*  OMG   6          2H5*      OMG   6   7.964  -6.570  -0.829
   66    H8   OMG   6           H8       OMG   6   4.029  -4.449  -0.610
   67    HN1  OMG   6           HN1      OMG   6  -0.026  -2.210   3.830
   68   1HN2  OMG   6          1HN2      OMG   6   0.949  -2.134   5.784
   69   2HN2  OMG   6          2HN2      OMG   6   2.607  -2.638   6.020
   70   1H5*    C   7          1H5*        C   7   6.233  -8.222   4.616
   71   2H5*    C   7          2H5*        C   7   5.914  -9.967   4.642
   72    H4*    C   7           H4*        C   7   4.769  -8.969   6.470
   73    H3*    C   7           H3*        C   7   2.950  -9.901   4.267
   74    H2*    C   7           H2*        C   7   1.063  -9.127   5.535
   75   2HO*    C   7          2HO*        C   7   2.967  -8.798   7.645
   76    H1*    C   7           H1*        C   7   2.272  -6.726   6.392
   77   1H4     C   7          1H4         C   7  -0.980  -4.754   1.346
   78   2H4     C   7          2H4         C   7   0.126  -5.567   0.263
   79    H5     C   7           H5         C   7   1.938  -6.972   1.039
   80    H6     C   7           H6         C   7   3.065  -7.867   3.009
   81   1H5*    C   8          1H5*        C   8   1.422 -11.771   8.052
   82   2H5*    C   8          2H5*        C   8   1.245 -13.478   7.600
   83    H4*    C   8           H4*        C   8  -0.738 -12.839   8.701
   84    H3*    C   8           H3*        C   8  -1.018 -13.292   5.772
   85    H2*    C   8           H2*        C   8  -3.263 -12.464   5.743
   86   2HO*    C   8          2HO*        C   8  -3.608 -11.849   8.362
   87    H1*    C   8           H1*        C   8  -2.888 -10.288   7.435
   88   1H4     C   8          1H4         C   8  -1.832  -7.522   1.871
   89   2H4     C   8          2H4         C   8  -0.414  -8.503   1.573
   90    H5     C   8           H5         C   8   0.322 -10.243   3.095
   91    H6     C   8           H6         C   8  -0.176 -11.403   5.182
   92    HN1  PSU   9           HN1      PSU   9  -2.900 -10.272   1.831
   93    HN3  PSU   9           HN3      PSU   9  -6.417  -8.205   1.784
   94    H6   PSU   9           H6       PSU   9  -3.526 -11.391   3.851
   95    H1*  PSU   9           H1*      PSU   9  -5.779 -10.503   6.048
   96    H2*  PSU   9           H2*      PSU   9  -7.833 -11.264   4.293
   97   *HO2  PSU   9          *HO2      PSU   9  -7.501 -11.014   6.816
   98    H3*  PSU   9           H3*      PSU   9  -6.707 -13.275   3.571
   99    H4*  PSU   9           H4*      PSU   9  -6.052 -13.790   6.465
  100   1H5*  PSU   9          1H5*      PSU   9  -5.203 -15.575   5.322
  101   2H5*  PSU   9          2H5*      PSU   9  -4.844 -14.619   3.871
  102   1H5*    U  10          1H5*        U  10 -11.768 -14.576   4.271
  103   2H5*    U  10          2H5*        U  10 -11.775 -13.796   2.677
  104    H4*    U  10           H4*        U  10 -13.365 -12.589   3.778
  105    H3*    U  10           H3*        U  10 -11.282 -11.072   3.116
  106    H2*    U  10           H2*        U  10 -10.011 -11.344   5.160
  107   2HO*    U  10          2HO*        U  10 -10.508  -9.072   4.857
  108    H1*    U  10           H1*        U  10 -12.594 -10.950   6.767
  109    H3     U  10           H3         U  10 -10.714 -11.899  10.673
  110    H5     U  10           H5         U  10  -8.479 -14.257   8.012
  111    H6     U  10           H6         U  10  -9.815 -13.365   6.220
  112   1H5*    U  11          1H5*        U  11 -14.622  -8.460   0.326
  113   2H5*    U  11          2H5*        U  11 -13.460  -9.702  -0.181
  114    H4*    U  11           H4*        U  11 -13.136  -6.739  -0.002
  115    H3*    U  11           H3*        U  11 -13.575  -8.104  -2.222
  116    H2*    U  11           H2*        U  11 -11.833  -9.762  -1.982
  117   2HO*    U  11          2HO*        U  11 -10.014  -8.941  -3.261
  118    H1*    U  11           H1*        U  11  -9.840  -7.603  -1.137
  119    H3     U  11           H3         U  11  -6.757 -10.501   0.197
  120    H5     U  11           H5         U  11 -10.316 -12.653   0.779
  121    H6     U  11           H6         U  11 -11.519 -10.736  -0.036
  122   1H5*    U  12          1H5*        U  12  -9.412  -6.067  -5.157
  123   2H5*    U  12          2H5*        U  12 -10.051  -7.125  -3.884
  124    H4*    U  12           H4*        U  12  -9.787  -4.914  -2.446
  125    H3*    U  12           H3*        U  12  -8.709  -3.744  -4.577
  126    H2*    U  12           H2*        U  12  -7.014  -5.412  -5.046
  127   2HO*    U  12          2HO*        U  12  -5.268  -4.367  -3.286
  128    H1*    U  12           H1*        U  12  -6.367  -5.524  -2.049
  129    H3     U  12           H3         U  12  -3.362  -8.134  -4.697
  130    H5     U  12           H5         U  12  -6.449 -10.508  -3.122
  131    H6     U  12           H6         U  12  -7.607  -8.480  -2.541
  132    H1*  OMG  13           H1*      OMG  13  -9.591  -5.326   3.631
  133    H2*  OMG  13           H2*      OMG  13  -8.620  -2.745   3.672
  134    H3*  OMG  13           H3*      OMG  13  -9.045  -2.272   1.347
  135    H4*  OMG  13           H4*      OMG  13 -11.819  -3.362   1.588
  136   1HM2  OMG  13          1HM2      OMG  13 -10.941  -4.809   5.288
  137   2HM2  OMG  13          2HM2      OMG  13 -10.949  -3.308   6.211
  138   3HM2  OMG  13          3HM2      OMG  13  -9.426  -3.973   5.621
  139   1H5*  OMG  13          1H5*      OMG  13 -10.896  -4.612  -0.568
  140   2H5*  OMG  13          2H5*      OMG  13 -11.541  -2.959  -0.604
  141    H8   OMG  13           H8       OMG  13  -8.000  -3.949   0.401
  142    HN1  OMG  13           HN1      OMG  13  -4.191  -7.465   4.169
  143   1HN2  OMG  13          1HN2      OMG  13  -5.210  -7.971   6.034
  144   2HN2  OMG  13          2HN2      OMG  13  -6.844  -7.451   6.373
  145   1H5*    G  14          1H5*        G  14 -10.422  -0.887   4.965
  146   2H5*    G  14          2H5*        G  14  -9.892   0.786   5.225
  147    H4*    G  14           H4*        G  14  -9.099  -0.697   6.983
  148    H3*    G  14           H3*        G  14  -6.983   0.563   5.248
  149    H2*    G  14           H2*        G  14  -5.326  -0.514   6.615
  150   2HO*    G  14          2HO*        G  14  -7.268  -1.611   8.331
  151    H1*    G  14           H1*        G  14  -6.746  -2.954   6.849
  152    H8     G  14           H8         G  14  -6.818  -1.555   3.345
  153    H1     G  14           H1         G  14  -1.613  -5.046   4.715
  154   1H2     G  14          1H2         G  14  -1.520  -5.471   6.855
  155   2H2     G  14          2H2         G  14  -2.740  -4.911   7.977
  156   1H5*    C  15          1H5*        C  15  -5.629   0.690   8.897
  157   2H5*    C  15          2H5*        C  15  -5.593   2.362   9.492
  158    H4*    C  15           H4*        C  15  -3.586   1.644  10.247
  159    H3*    C  15           H3*        C  15  -3.076   2.802   7.530
  160    H2*    C  15           H2*        C  15  -0.779   2.094   7.653
  161   2HO*    C  15          2HO*        C  15  -0.988   0.876  10.137
  162    H1*    C  15           H1*        C  15  -1.300  -0.457   8.622
  163   1H4     C  15          1H4         C  15  -1.421  -1.461   2.374
  164   2H4     C  15          2H4         C  15  -2.911  -0.563   2.209
  165    H5     C  15           H5         C  15  -3.981   0.569   4.060
  166    H6     C  15           H6         C  15  -3.836   1.073   6.443
  167   1H5*    U  16          1H5*        U  16   1.126   4.619   9.146
  168   2H5*    U  16          2H5*        U  16   1.265   4.992   7.416
  169    H4*    U  16           H4*        U  16   2.029   2.608   8.896
  170    H3*    U  16           H3*        U  16   2.846   3.886   6.309
  171    H2*    U  16           H2*        U  16   3.638   1.765   5.503
  172   2HO*    U  16          2HO*        U  16   3.627   1.214   8.238
  173    H1*    U  16           H1*        U  16   1.471   0.260   6.434
  174    H3     U  16           H3         U  16   1.760   1.059   1.795
  175    H5     U  16           H5         U  16  -1.372   3.332   3.438
  176    H6     U  16           H6         U  16  -0.497   2.814   5.617
  177   1H5*    A  17          1H5*        A  17   4.860   3.507   4.990
  178   2H5*    A  17          2H5*        A  17   5.624   2.407   6.154
  179    H4*    A  17           H4*        A  17   7.812   2.938   5.273
  180    H3*    A  17           H3*        A  17   6.408   4.997   3.620
  181    H2*    A  17           H2*        A  17   7.774   4.456   1.712
  182   2HO*    A  17          2HO*        A  17   9.338   2.555   2.242
  183    H1*    A  17           H1*        A  17   7.527   1.705   1.927
  184    H8     A  17           H8         A  17   4.211   2.575   3.113
  185   1H6     A  17          1H6         A  17   2.548   3.869  -2.709
  186   2H6     A  17          2H6         A  17   1.974   3.580  -1.082
  187    H2     A  17           H2         A  17   7.018   3.522  -2.582
  188   1H5*    A  18          1H5*        A  18  10.755   5.115   2.881
  189   2H5*    A  18          2H5*        A  18  11.183   6.832   3.001
  190    H4*    A  18           H4*        A  18  12.080   5.708   0.992
  191    H3*    A  18           H3*        A  18  10.324   8.120   0.721
  192    H2*    A  18           H2*        A  18  10.440   7.947  -1.680
  193   2HO*    A  18          2HO*        A  18  12.744   7.205  -1.528
  194    H1*    A  18           H1*        A  18   9.966   5.213  -1.795
  195    H8     A  18           H8         A  18   8.131   6.909   1.085
  196   1H6     A  18          1H6         A  18   3.419   7.582  -2.876
  197   2H6     A  18          2H6         A  18   3.935   7.766  -1.214
  198    H2     A  18           H2         A  18   6.942   5.998  -5.157
  199    H1*  OMG  19           H1*      OMG  19  10.598   9.945  -4.929
  200    H2*  OMG  19           H2*      OMG  19  10.392  12.631  -4.193
  201    H3*  OMG  19           H3*      OMG  19  11.634  12.417  -2.142
  202    H4*  OMG  19           H4*      OMG  19  13.676  10.744  -3.572
  203   1HM2  OMG  19          1HM2      OMG  19  10.137  11.849  -6.455
  204   2HM2  OMG  19          2HM2      OMG  19  11.529  12.284  -7.446
  205   3HM2  OMG  19          3HM2      OMG  19  11.330  10.625  -6.885
  206   1H5*  OMG  19          1H5*      OMG  19  13.793   9.438  -1.544
  207   2H5*  OMG  19          2H5*      OMG  19  14.013  11.165  -1.196
  208    H8   OMG  19           H8       OMG  19  10.250  10.084  -1.209
  209    HN1  OMG  19           HN1      OMG  19   4.696  10.669  -4.362
  210   1HN2  OMG  19          1HN2      OMG  19   5.057  10.995  -6.496
  211   2HN2  OMG  19          2HN2      OMG  19   6.670  11.068  -7.170
  212   1H5*    A  20          1H5*        A  20  12.192  13.904  -5.613
  213   2H5*    A  20          2H5*        A  20  12.689  15.605  -5.706
  214    H4*    A  20           H4*        A  20  10.893  15.274  -7.222
  215    H3*    A  20           H3*        A  20  10.190  16.901  -4.805
  216    H2*    A  20           H2*        A  20   7.915  17.039  -5.525
  217   2HO*    A  20          2HO*        A  20   7.821  15.774  -7.829
  218    H1*    A  20           H1*        A  20   7.725  14.407  -6.530
  219    H8     A  20           H8         A  20   9.477  14.789  -3.166
  220   1H6     A  20          1H6         A  20   3.913  13.816  -0.629
  221   2H6     A  20          2H6         A  20   5.622  14.005  -0.309
  222    H2     A  20           H2         A  20   3.375  14.171  -5.065
  223    H3T    A  20           H3T        A  20  11.516  17.481  -6.717
  Start of MODEL    6
    1    HN1  PSU   1           HN1      PSU   1  -0.600  12.281   1.674
    2    HN3  PSU   1           HN3      PSU   1   2.435  13.374  -0.823
    3    H6   PSU   1           H6       PSU   1  -2.227  12.700  -0.038
    4    H1*  PSU   1           H1*      PSU   1  -1.404  14.376  -3.167
    5    H2*  PSU   1           H2*      PSU   1  -1.321  11.610  -3.375
    6   *HO2  PSU   1          *HO2      PSU   1  -2.548  13.704  -4.655
    7    H3*  PSU   1           H3*      PSU   1  -3.023  11.172  -1.731
    8    H4*  PSU   1           H4*      PSU   1  -4.760  13.302  -2.914
    9   1H5*  PSU   1          1H5*      PSU   1  -4.807  13.899  -0.329
   10   2H5*  PSU   1          2H5*      PSU   1  -5.834  12.649  -1.055
   11    H5T  PSU   1           H5T      PSU   1  -4.587  12.058   0.889
   12   1H5*    C   2          1H5*        C   2  -3.314  11.738  -6.062
   13   2H5*    C   2          2H5*        C   2  -3.902  10.185  -6.688
   14    H4*    C   2           H4*        C   2  -2.404  11.021  -8.289
   15    H3*    C   2           H3*        C   2  -1.302   8.739  -6.708
   16    H2*    C   2           H2*        C   2   0.839   8.958  -7.780
   17   2HO*    C   2          2HO*        C   2  -0.084   9.449  -9.888
   18    H1*    C   2           H1*        C   2   1.027  11.713  -7.566
   19   1H4     C   2          1H4         C   2   3.585   9.907  -2.067
   20   2H4     C   2          2H4         C   2   2.023   9.425  -1.447
   21    H5     C   2           H5         C   2  -0.002   9.496  -2.773
   22    H6     C   2           H6         C   2  -0.932  10.026  -4.963
   23   1H5*    U   3          1H5*        U   3  -0.032   7.833 -10.606
   24   2H5*    U   3          2H5*        U   3  -1.062   6.478 -11.102
   25    H4*    U   3           H4*        U   3   0.930   5.731 -11.861
   26    H3*    U   3           H3*        U   3   0.642   4.679  -9.079
   27    H2*    U   3           H2*        U   3   2.888   3.811  -9.133
   28   2HO*    U   3          2HO*        U   3   2.508   4.175 -11.874
   29    H1*    U   3           H1*        U   3   4.065   6.093 -10.138
   30    H3     U   3           H3         U   3   5.059   6.583  -5.782
   31    H5     U   3           H5         U   3   0.947   7.415  -5.965
   32    H6     U   3           H6         U   3   0.990   6.741  -8.274
   33   1H5*    C   4          1H5*        C   4   4.133   2.410 -10.487
   34   2H5*    C   4          2H5*        C   4   3.582   0.737 -10.698
   35    H4*    C   4           H4*        C   4   5.239   0.982  -8.907
   36    H3*    C   4           H3*        C   4   2.510  -0.055  -8.197
   37    H2*    C   4           H2*        C   4   3.210  -0.241  -5.906
   38   2HO*    C   4          2HO*        C   4   5.393  -1.001  -6.631
   39    H1*    C   4           H1*        C   4   4.602   2.205  -5.839
   40   1H4     C   4          1H4         C   4  -1.059   3.715  -3.443
   41   2H4     C   4          2H4         C   4  -1.775   3.703  -5.039
   42    H5     C   4           H5         C   4  -0.555   3.035  -7.024
   43    H6     C   4           H6         C   4   1.593   2.252  -7.874
   44    H1*  OMG   5           H1*      OMG   5   7.181  -1.156  -3.280
   45    H2*  OMG   5           H2*      OMG   5   6.762  -3.465  -1.818
   46    H3*  OMG   5           H3*      OMG   5   5.358  -4.563  -3.436
   47    H4*  OMG   5           H4*      OMG   5   7.243  -3.854  -5.644
   48   1HM2  OMG   5          1HM2      OMG   5   9.307  -1.454  -2.799
   49   2HM2  OMG   5          2HM2      OMG   5  10.157  -2.797  -2.038
   50   3HM2  OMG   5          3HM2      OMG   5   8.657  -2.192  -1.337
   51   1H5*  OMG   5          1H5*      OMG   5   5.245  -4.954  -6.324
   52   2H5*  OMG   5          2H5*      OMG   5   4.239  -3.792  -5.439
   53    H8   OMG   5           H8       OMG   5   3.824  -1.742  -4.424
   54    HN1  OMG   5           HN1      OMG   5   3.891  -0.258   1.817
   55   1HN2  OMG   5          1HN2      OMG   5   5.914  -0.450   2.627
   56   2HN2  OMG   5          2HN2      OMG   5   7.272  -0.940   1.640
   57    H1*  OMG   6           H1*      OMG   6   6.199  -3.303   2.807
   58    H2*  OMG   6           H2*      OMG   6   4.991  -5.842   2.780
   59    H3*  OMG   6           H3*      OMG   6   5.909  -6.516   0.664
   60    H4*  OMG   6           H4*      OMG   6   8.541  -5.313   1.484
   61   1HM2  OMG   6          1HM2      OMG   6   6.832  -3.781   4.856
   62   2HM2  OMG   6          2HM2      OMG   6   5.293  -4.637   4.791
   63   3HM2  OMG   6          3HM2      OMG   6   6.621  -5.279   5.757
   64   1H5*  OMG   6          1H5*      OMG   6   8.493  -4.478  -0.928
   65   2H5*  OMG   6          2H5*      OMG   6   8.741  -6.211  -0.641
   66    H8   OMG   6           H8       OMG   6   4.973  -4.155  -0.648
   67    HN1  OMG   6           HN1      OMG   6   0.469  -1.809   3.272
   68   1HN2  OMG   6          1HN2      OMG   6   1.218  -1.714   5.325
   69   2HN2  OMG   6          2HN2      OMG   6   2.834  -2.231   5.755
   70   1H5*    C   7          1H5*        C   7   6.501  -7.730   4.703
   71   2H5*    C   7          2H5*        C   7   6.274  -9.490   4.710
   72    H4*    C   7           H4*        C   7   4.927  -8.607   6.433
   73    H3*    C   7           H3*        C   7   3.340  -9.519   4.055
   74    H2*    C   7           H2*        C   7   1.317  -8.809   5.144
   75   2HO*    C   7          2HO*        C   7   2.694  -7.958   7.446
   76    H1*    C   7           H1*        C   7   2.335  -6.376   6.086
   77   1H4     C   7          1H4         C   7  -0.236  -4.641   0.578
   78   2H4     C   7          2H4         C   7   1.042  -5.431  -0.319
   79    H5     C   7           H5         C   7   2.782  -6.738   0.745
   80    H6     C   7           H6         C   7   3.641  -7.554   2.879
   81   1H5*    C   8          1H5*        C   8   1.842 -11.005   7.471
   82   2H5*    C   8          2H5*        C   8   1.390 -12.718   7.569
   83    H4*    C   8           H4*        C   8  -0.477 -11.548   8.331
   84    H3*    C   8           H3*        C   8  -0.863 -12.513   5.518
   85    H2*    C   8           H2*        C   8  -2.999 -11.434   5.426
   86   2HO*    C   8          2HO*        C   8  -3.207 -10.317   7.847
   87    H1*    C   8           H1*        C   8  -2.236  -9.101   6.796
   88   1H4     C   8          1H4         C   8  -1.743  -7.223   0.787
   89   2H4     C   8          2H4         C   8  -0.556  -8.456   0.432
   90    H5     C   8           H5         C   8   0.213 -10.059   2.075
   91    H6     C   8           H6         C   8  -0.049 -10.841   4.371
   92    HN1  PSU   9           HN1      PSU   9  -3.214  -9.862   2.818
   93    HN3  PSU   9           HN3      PSU   9  -6.026 -11.215   0.222
   94    H6   PSU   9           H6       PSU   9  -4.647 -10.289   4.692
   95    H1*  PSU   9           H1*      PSU   9  -7.846 -10.631   4.748
   96    H2*  PSU   9           H2*      PSU   9  -7.712 -13.161   3.543
   97   *HO2  PSU   9          *HO2      PSU   9  -9.394 -11.979   4.917
   98    H3*  PSU   9           H3*      PSU   9  -5.787 -13.865   4.833
   99    H4*  PSU   9           H4*      PSU   9  -7.170 -12.739   7.260
  100   1H5*  PSU   9          1H5*      PSU   9  -4.800 -12.013   7.833
  101   2H5*  PSU   9          2H5*      PSU   9  -5.180 -13.744   7.913
  102   1H5*    U  10          1H5*        U  10 -10.096 -15.377   3.025
  103   2H5*    U  10          2H5*        U  10  -9.851 -13.775   3.747
  104    H4*    U  10           H4*        U  10 -12.228 -15.396   3.596
  105    H3*    U  10           H3*        U  10 -11.864 -12.796   3.188
  106    H2*    U  10           H2*        U  10 -11.137 -12.205   5.423
  107   2HO*    U  10          2HO*        U  10 -12.752 -10.930   6.037
  108    H1*    U  10           H1*        U  10 -13.385 -13.945   6.574
  109    H3     U  10           H3         U  10 -11.928 -12.566  10.600
  110    H5     U  10           H5         U  10  -8.535 -14.299   8.833
  111    H6     U  10           H6         U  10  -9.800 -14.513   6.797
  112   1H5*    U  11          1H5*        U  11 -13.454 -11.724   0.188
  113   2H5*    U  11          2H5*        U  11 -11.975 -10.847   0.628
  114    H4*    U  11           H4*        U  11 -14.700  -9.881   0.212
  115    H3*    U  11           H3*        U  11 -12.451  -9.091  -0.929
  116    H2*    U  11           H2*        U  11 -11.222  -8.492   1.064
  117   2HO*    U  11          2HO*        U  11 -11.591  -6.130   1.314
  118    H1*    U  11           H1*        U  11 -13.675  -7.062   2.195
  119    H3     U  11           H3         U  11 -11.943  -6.592   6.252
  120    H5     U  11           H5         U  11 -10.025 -10.059   4.858
  121    H6     U  11           H6         U  11 -11.266  -9.829   2.809
  122   1H5*    U  12          1H5*        U  12 -12.265  -6.358  -4.260
  123   2H5*    U  12          2H5*        U  12 -11.349  -7.871  -4.394
  124    H4*    U  12           H4*        U  12 -10.564  -5.255  -3.206
  125    H3*    U  12           H3*        U  12  -9.774  -6.237  -5.548
  126    H2*    U  12           H2*        U  12  -8.959  -8.375  -4.747
  127   2HO*    U  12          2HO*        U  12  -7.010  -6.409  -5.005
  128    H1*    U  12           H1*        U  12  -7.598  -6.926  -2.408
  129    H3     U  12           H3         U  12  -6.220 -11.367  -2.113
  130    H5     U  12           H5         U  12 -10.055 -11.083  -0.424
  131    H6     U  12           H6         U  12 -10.215  -8.868  -1.351
  132    H1*  OMG  13           H1*      OMG  13  -9.031  -4.885   1.203
  133    H2*  OMG  13           H2*      OMG  13  -7.741  -2.415   1.373
  134    H3*  OMG  13           H3*      OMG  13  -8.297  -1.716  -0.862
  135    H4*  OMG  13           H4*      OMG  13 -11.118  -2.639  -0.411
  136   1HM2  OMG  13          1HM2      OMG  13  -8.480  -3.704   3.289
  137   2HM2  OMG  13          2HM2      OMG  13 -10.091  -4.380   3.064
  138   3HM2  OMG  13          3HM2      OMG  13  -9.871  -2.945   4.062
  139   1H5*  OMG  13          1H5*      OMG  13 -11.173  -3.222  -2.703
  140   2H5*  OMG  13          2H5*      OMG  13 -10.439  -1.612  -2.576
  141    H8   OMG  13           H8       OMG  13  -7.444  -3.804  -2.081
  142    HN1  OMG  13           HN1      OMG  13  -3.611  -7.059   1.896
  143   1HN2  OMG  13          1HN2      OMG  13  -4.558  -7.311   3.841
  144   2HN2  OMG  13          2HN2      OMG  13  -6.154  -6.686   4.187
  145   1H5*    G  14          1H5*        G  14  -9.885  -0.301   2.867
  146   2H5*    G  14          2H5*        G  14  -9.353   1.360   3.198
  147    H4*    G  14           H4*        G  14  -8.958  -0.118   5.092
  148    H3*    G  14           H3*        G  14  -6.537   1.089   3.773
  149    H2*    G  14           H2*        G  14  -5.160  -0.023   5.404
  150   2HO*    G  14          2HO*        G  14  -5.962  -0.691   7.301
  151    H1*    G  14           H1*        G  14  -6.558  -2.461   5.307
  152    H8     G  14           H8         G  14  -6.228  -0.922   1.880
  153    H1     G  14           H1         G  14  -1.146  -4.365   3.744
  154   1H2     G  14          1H2         G  14  -1.308  -4.878   5.867
  155   2H2     G  14          2H2         G  14  -2.670  -4.383   6.848
  156   1H5*    C  15          1H5*        C  15  -5.644   1.105   7.566
  157   2H5*    C  15          2H5*        C  15  -5.727   2.777   8.153
  158    H4*    C  15           H4*        C  15  -3.805   2.123   9.146
  159    H3*    C  15           H3*        C  15  -3.001   3.273   6.496
  160    H2*    C  15           H2*        C  15  -0.715   2.641   6.919
  161   2HO*    C  15          2HO*        C  15  -0.198   2.837   8.987
  162    H1*    C  15           H1*        C  15  -1.283   0.078   7.824
  163   1H4     C  15          1H4         C  15  -0.597  -0.903   1.610
  164   2H4     C  15          2H4         C  15  -2.098  -0.075   1.265
  165    H5     C  15           H5         C  15  -3.433   1.001   2.973
  166    H6     C  15           H6         C  15  -3.595   1.505   5.353
  167   1H5*    U  16          1H5*        U  16   1.373   5.491   7.447
  168   2H5*    U  16          2H5*        U  16   0.342   4.722   6.223
  169    H4*    U  16           H4*        U  16   1.879   3.155   8.280
  170    H3*    U  16           H3*        U  16   2.927   4.237   5.690
  171    H2*    U  16           H2*        U  16   3.964   2.117   5.212
  172   2HO*    U  16          2HO*        U  16   4.525   0.823   6.813
  173    H1*    U  16           H1*        U  16   1.779   0.552   5.924
  174    H3     U  16           H3         U  16   2.724   1.513   1.325
  175    H5     U  16           H5         U  16  -1.022   3.030   2.481
  176    H6     U  16           H6         U  16  -0.388   2.636   4.766
  177   1H5*    A  17          1H5*        A  17   6.072   1.684   5.640
  178   2H5*    A  17          2H5*        A  17   7.123   2.714   6.633
  179    H4*    A  17           H4*        A  17   8.576   2.358   4.971
  180    H3*    A  17           H3*        A  17   6.936   4.654   3.947
  181    H2*    A  17           H2*        A  17   8.123   4.535   1.851
  182   2HO*    A  17          2HO*        A  17   9.767   2.620   3.198
  183    H1*    A  17           H1*        A  17   7.981   1.756   1.618
  184    H8     A  17           H8         A  17   4.882   3.330   3.192
  185   1H6     A  17          1H6         A  17   2.620   3.579  -2.567
  186   2H6     A  17          2H6         A  17   2.257   3.815  -0.873
  187    H2     A  17           H2         A  17   6.904   2.277  -2.810
  188   1H5*    A  18          1H5*        A  18  10.980   4.584   2.841
  189   2H5*    A  18          2H5*        A  18  11.736   6.176   3.053
  190    H4*    A  18           H4*        A  18  12.278   5.237   0.890
  191    H3*    A  18           H3*        A  18  10.612   7.737   0.894
  192    H2*    A  18           H2*        A  18  10.579   7.683  -1.513
  193   2HO*    A  18          2HO*        A  18  12.595   7.043  -2.104
  194    H1*    A  18           H1*        A  18  10.060   4.944  -1.718
  195    H8     A  18           H8         A  18   8.289   6.635   1.205
  196   1H6     A  18          1H6         A  18   3.575   7.510  -2.711
  197   2H6     A  18          2H6         A  18   4.110   7.655  -1.052
  198    H2     A  18           H2         A  18   7.029   5.841  -5.038
  199    H1*  OMG  19           H1*      OMG  19  10.640   9.935  -4.615
  200    H2*  OMG  19           H2*      OMG  19  10.476  12.554  -3.641
  201    H3*  OMG  19           H3*      OMG  19  11.839  12.177  -1.694
  202    H4*  OMG  19           H4*      OMG  19  13.771  10.603  -3.369
  203   1HM2  OMG  19          1HM2      OMG  19  11.259  10.777  -6.546
  204   2HM2  OMG  19          2HM2      OMG  19  10.088  11.951  -5.947
  205   3HM2  OMG  19          3HM2      OMG  19  11.420  12.479  -6.974
  206   1H5*  OMG  19          1H5*      OMG  19  13.992   9.143  -1.456
  207   2H5*  OMG  19          2H5*      OMG  19  14.257  10.835  -0.993
  208    H8   OMG  19           H8       OMG  19  10.441   9.789  -0.882
  209    HN1  OMG  19           HN1      OMG  19   4.769  10.588  -3.769
  210   1HN2  OMG  19          1HN2      OMG  19   5.049  11.066  -5.884
  211   2HN2  OMG  19          2HN2      OMG  19   6.634  11.195  -6.613
  212   1H5*    A  20          1H5*        A  20  11.882  14.085  -5.545
  213   2H5*    A  20          2H5*        A  20  12.199  15.784  -5.138
  214    H4*    A  20           H4*        A  20  10.179  15.421  -6.532
  215    H3*    A  20           H3*        A  20   9.979  16.834  -3.894
  216    H2*    A  20           H2*        A  20   7.616  16.970  -4.104
  217   2HO*    A  20          2HO*        A  20   6.959  17.551  -6.037
  218    H1*    A  20           H1*        A  20   7.277  14.515  -5.560
  219    H8     A  20           H8         A  20   9.218  14.369  -2.291
  220   1H6     A  20          1H6         A  20   3.795  13.036   0.387
  221   2H6     A  20          2H6         A  20   5.523  13.163   0.631
  222    H2     A  20           H2         A  20   3.007  14.104  -3.894
  223    H3T    A  20           H3T        A  20  10.091  18.502  -5.107
  Start of MODEL    7
    1    HN1  PSU   1           HN1      PSU   1   2.342  14.184   1.603
    2    HN3  PSU   1           HN3      PSU   1   5.248  14.972  -1.150
    3    H6   PSU   1           H6       PSU   1   0.636  14.908   0.082
    4    H1*  PSU   1           H1*      PSU   1   1.418  16.479  -3.155
    5    H2*  PSU   1           H2*      PSU   1   0.810  13.746  -3.072
    6   *HO2  PSU   1          *HO2      PSU   1  -0.904  15.597  -4.361
    7    H3*  PSU   1           H3*      PSU   1  -0.859  13.898  -1.358
    8    H4*  PSU   1           H4*      PSU   1  -1.951  16.384  -2.630
    9   1H5*  PSU   1          1H5*      PSU   1  -2.119  17.205  -0.298
   10   2H5*  PSU   1          2H5*      PSU   1  -3.058  15.739  -0.633
   11    H5T  PSU   1           H5T      PSU   1  -0.646  16.031   0.808
   12   1H5*    C   2          1H5*        C   2  -1.911  14.183  -5.825
   13   2H5*    C   2          2H5*        C   2  -2.499  12.580  -6.312
   14    H4*    C   2           H4*        C   2  -1.044  13.553  -7.995
   15    H3*    C   2           H3*        C   2  -0.247  10.991  -6.699
   16    H2*    C   2           H2*        C   2   1.889  10.998  -7.791
   17   2HO*    C   2          2HO*        C   2   0.588  12.224  -9.682
   18    H1*    C   2           H1*        C   2   2.495  13.667  -7.366
   19   1H4     C   2          1H4         C   2   4.852  11.143  -2.072
   20   2H4     C   2          2H4         C   2   3.250  10.797  -1.467
   21    H5     C   2           H5         C   2   1.240  11.206  -2.746
   22    H6     C   2           H6         C   2   0.359  12.005  -4.871
   23   1H5*    U   3          1H5*        U   3   1.178  10.295 -10.377
   24   2H5*    U   3          2H5*        U   3   0.011   9.206 -11.153
   25    H4*    U   3           H4*        U   3   1.934   8.187 -11.760
   26    H3*    U   3           H3*        U   3   1.038   6.930  -9.212
   27    H2*    U   3           H2*        U   3   3.095   5.716  -8.976
   28   2HO*    U   3          2HO*        U   3   4.582   6.454 -11.011
   29    H1*    U   3           H1*        U   3   4.804   7.793  -9.608
   30    H3     U   3           H3         U   3   5.304   7.926  -5.171
   31    H5     U   3           H5         U   3   1.346   9.218  -5.726
   32    H6     U   3           H6         U   3   1.592   8.714  -8.066
   33   1H5*    C   4          1H5*        C   4   2.814   2.719 -11.213
   34   2H5*    C   4          2H5*        C   4   1.556   1.967 -10.212
   35    H4*    C   4           H4*        C   4   4.187   1.693  -9.772
   36    H3*    C   4           H3*        C   4   1.904   1.568  -7.821
   37    H2*    C   4           H2*        C   4   3.486   1.368  -6.026
   38   2HO*    C   4          2HO*        C   4   4.867  -0.017  -7.583
   39    H1*    C   4           H1*        C   4   5.304   3.269  -7.038
   40   1H4     C   4          1H4         C   4   1.849   6.459  -2.779
   41   2H4     C   4          2H4         C   4   0.620   6.760  -3.987
   42    H5     C   4           H5         C   4   0.692   5.791  -6.207
   43    H6     C   4           H6         C   4   1.950   4.335  -7.707
   44    H1*  OMG   5           H1*      OMG   5   6.224  -0.471  -3.747
   45    H2*  OMG   5           H2*      OMG   5   5.626  -2.985  -2.810
   46    H3*  OMG   5           H3*      OMG   5   4.287  -3.678  -4.686
   47    H4*  OMG   5           H4*      OMG   5   6.327  -2.720  -6.636
   48   1HM2  OMG   5          1HM2      OMG   5   9.075  -1.933  -2.978
   49   2HM2  OMG   5          2HM2      OMG   5   8.219  -3.181  -2.076
   50   3HM2  OMG   5          3HM2      OMG   5   7.547  -1.554  -2.185
   51   1H5*  OMG   5          1H5*      OMG   5   4.614  -2.213  -8.050
   52   2H5*  OMG   5          2H5*      OMG   5   3.902  -3.543  -7.115
   53    H8   OMG   5           H8       OMG   5   3.008  -0.659  -5.336
   54    HN1  OMG   5           HN1      OMG   5   2.402  -0.424   1.046
   55   1HN2  OMG   5          1HN2      OMG   5   4.321  -0.829   2.011
   56   2HN2  OMG   5          2HN2      OMG   5   5.774  -1.168   1.098
   57    H1*  OMG   6           H1*      OMG   6   5.384  -3.167   1.045
   58    H2*  OMG   6           H2*      OMG   6   4.050  -5.558   1.652
   59    H3*  OMG   6           H3*      OMG   6   4.633  -6.662  -0.407
   60    H4*  OMG   6           H4*      OMG   6   7.424  -5.579  -0.101
   61   1HM2  OMG   6          1HM2      OMG   6   4.585  -4.430   3.538
   62   2HM2  OMG   6          2HM2      OMG   6   6.165  -4.710   4.269
   63   3HM2  OMG   6          3HM2      OMG   6   5.930  -3.353   3.170
   64   1H5*  OMG   6          1H5*      OMG   6   7.608  -5.567  -2.421
   65   2H5*  OMG   6          2H5*      OMG   6   6.750  -7.073  -2.040
   66    H8   OMG   6           H8       OMG   6   3.872  -4.138  -2.160
   67    HN1  OMG   6           HN1      OMG   6  -0.431  -1.884   2.032
   68   1HN2  OMG   6          1HN2      OMG   6   0.435  -1.781   4.034
   69   2HN2  OMG   6          2HN2      OMG   6   2.083  -2.269   4.365
   70   1H5*    C   7          1H5*        C   7   5.839  -8.267   3.504
   71   2H5*    C   7          2H5*        C   7   5.106  -9.875   3.651
   72    H4*    C   7           H4*        C   7   4.456  -8.394   5.476
   73    H3*    C   7           H3*        C   7   2.286  -9.410   3.665
   74    H2*    C   7           H2*        C   7   0.668  -8.163   4.938
   75   2HO*    C   7          2HO*        C   7   2.796  -7.531   6.740
   76    H1*    C   7           H1*        C   7   2.206  -5.838   5.162
   77   1H4     C   7          1H4         C   7  -1.487  -4.905   0.083
   78   2H4     C   7          2H4         C   7  -0.316  -5.721  -0.928
   79    H5     C   7           H5         C   7   1.653  -6.819  -0.036
   80    H6     C   7           H6         C   7   2.876  -7.372   2.000
   81   1H5*    C   8          1H5*        C   8   1.373 -10.123   7.734
   82   2H5*    C   8          2H5*        C   8   0.906 -11.808   8.039
   83    H4*    C   8           H4*        C   8  -0.577 -10.297   9.190
   84    H3*    C   8           H3*        C   8  -1.720 -12.022   7.045
   85    H2*    C   8           H2*        C   8  -3.856 -10.931   7.182
   86   2HO*    C   8          2HO*        C   8  -3.294  -9.047   9.063
   87    H1*    C   8           H1*        C   8  -2.920  -8.341   7.229
   88   1H4     C   8          1H4         C   8  -3.438  -9.673   1.031
   89   2H4     C   8          2H4         C   8  -1.760 -10.162   1.010
   90    H5     C   8           H5         C   8  -0.411 -10.329   3.013
   91    H6     C   8           H6         C   8  -0.389 -10.023   5.432
   92    HN1  PSU   9           HN1      PSU   9  -3.212 -12.543   3.842
   93    HN3  PSU   9           HN3      PSU   9  -6.057 -11.033   1.336
   94    H6   PSU   9           H6       PSU   9  -4.682 -12.320   5.722
   95    H1*  PSU   9           H1*      PSU   9  -7.941 -10.628   5.483
   96    H2*  PSU   9           H2*      PSU   9  -7.821 -13.441   5.314
   97   *HO2  PSU   9          *HO2      PSU   9  -9.423 -11.583   6.229
   98    H3*  PSU   9           H3*      PSU   9  -6.063 -13.639   6.958
   99    H4*  PSU   9           H4*      PSU   9  -7.551 -11.596   8.600
  100   1H5*  PSU   9          1H5*      PSU   9  -5.160 -10.784   9.040
  101   2H5*  PSU   9          2H5*      PSU   9  -5.706 -12.286   9.812
  102   1H5*    U  10          1H5*        U  10  -9.385 -18.279   8.608
  103   2H5*    U  10          2H5*        U  10  -8.261 -17.970   7.271
  104    H4*    U  10           H4*        U  10 -10.583 -18.188   6.528
  105    H3*    U  10           H3*        U  10  -8.890 -16.470   5.422
  106    H2*    U  10           H2*        U  10  -9.282 -14.601   6.912
  107   2HO*    U  10          2HO*        U  10  -9.743 -13.740   4.892
  108    H1*    U  10           H1*        U  10 -12.298 -15.111   6.722
  109    H3     U  10           H3         U  10 -12.560 -14.224  11.446
  110    H5     U  10           H5         U  10 -10.381 -11.269   9.407
  111    H6     U  10           H6         U  10 -10.311 -12.742   7.505
  112   1H5*    U  11          1H5*        U  11  -9.842 -15.346   0.744
  113   2H5*    U  11          2H5*        U  11 -10.226 -13.946   1.762
  114    H4*    U  11           H4*        U  11 -11.820 -15.242  -0.396
  115    H3*    U  11           H3*        U  11 -10.506 -12.958  -0.589
  116    H2*    U  11           H2*        U  11 -11.397 -11.856   1.369
  117   2HO*    U  11          2HO*        U  11 -12.755 -10.303   0.571
  118    H1*    U  11           H1*        U  11 -14.222 -12.779   0.654
  119    H3     U  11           H3         U  11 -15.952 -11.613   4.569
  120    H5     U  11           H5         U  11 -11.956 -12.435   5.568
  121    H6     U  11           H6         U  11 -11.569 -12.973   3.256
  122   1H5*    U  12          1H5*        U  12 -12.444  -9.548  -1.699
  123   2H5*    U  12          2H5*        U  12 -12.111  -9.726  -3.432
  124    H4*    U  12           H4*        U  12 -11.166  -7.700  -2.114
  125    H3*    U  12           H3*        U  12 -10.477  -8.568  -4.531
  126    H2*    U  12           H2*        U  12  -8.940 -10.306  -3.833
  127   2HO*    U  12          2HO*        U  12  -7.877  -8.399  -5.041
  128    H1*    U  12           H1*        U  12  -7.747  -8.366  -1.778
  129    H3     U  12           H3         U  12  -5.196 -12.331  -1.842
  130    H5     U  12           H5         U  12  -8.356 -12.741   0.894
  131    H6     U  12           H6         U  12  -9.322 -10.745  -0.041
  132    H1*  OMG  13           H1*      OMG  13 -10.680  -6.199   2.236
  133    H2*  OMG  13           H2*      OMG  13  -9.211  -3.874   1.911
  134    H3*  OMG  13           H3*      OMG  13  -9.756  -3.535  -0.410
  135    H4*  OMG  13           H4*      OMG  13 -12.642  -4.092   0.140
  136   1HM2  OMG  13          1HM2      OMG  13 -10.013  -4.687   4.043
  137   2HM2  OMG  13          2HM2      OMG  13 -11.677  -5.259   3.954
  138   3HM2  OMG  13          3HM2      OMG  13 -11.324  -3.685   4.664
  139   1H5*  OMG  13          1H5*      OMG  13 -12.733  -5.142  -1.960
  140   2H5*  OMG  13          2H5*      OMG  13 -11.759  -3.673  -2.169
  141    H8   OMG  13           H8       OMG  13  -9.426  -6.244  -1.288
  142    HN1  OMG  13           HN1      OMG  13  -5.105  -8.072   3.077
  143   1HN2  OMG  13          1HN2      OMG  13  -5.801  -7.600   5.091
  144   2HN2  OMG  13          2HN2      OMG  13  -7.345  -6.832   5.385
  145   1H5*    G  14          1H5*        G  14 -11.007  -1.332   2.831
  146   2H5*    G  14          2H5*        G  14 -10.429   0.344   2.900
  147    H4*    G  14           H4*        G  14  -9.948  -0.870   4.953
  148    H3*    G  14           H3*        G  14  -7.639   0.160   3.344
  149    H2*    G  14           H2*        G  14  -6.095  -0.823   4.907
  150   2HO*    G  14          2HO*        G  14  -8.210  -1.791   6.511
  151    H1*    G  14           H1*        G  14  -7.410  -3.269   5.129
  152    H8     G  14           H8         G  14  -7.838  -2.189   1.592
  153    H1     G  14           H1         G  14  -2.068  -4.710   2.814
  154   1H2     G  14          1H2         G  14  -1.762  -4.909   4.974
  155   2H2     G  14          2H2         G  14  -2.974  -4.426   6.138
  156   1H5*    C  15          1H5*        C  15  -6.470   0.357   7.007
  157   2H5*    C  15          2H5*        C  15  -6.647   2.030   7.572
  158    H4*    C  15           H4*        C  15  -4.695   1.499   8.577
  159    H3*    C  15           H3*        C  15  -3.992   2.700   5.931
  160    H2*    C  15           H2*        C  15  -1.667   2.157   6.252
  161   2HO*    C  15          2HO*        C  15  -1.100   2.344   8.314
  162    H1*    C  15           H1*        C  15  -2.061  -0.448   7.050
  163   1H4     C  15          1H4         C  15  -1.991  -1.103   0.747
  164   2H4     C  15          2H4         C  15  -3.582  -0.393   0.615
  165    H5     C  15           H5         C  15  -4.791   0.499   2.509
  166    H6     C  15           H6         C  15  -4.718   0.895   4.915
  167   1H5*    U  16          1H5*        U  16   0.062   5.143   7.168
  168   2H5*    U  16          2H5*        U  16  -0.032   4.937   5.408
  169    H4*    U  16           H4*        U  16   0.818   3.030   7.522
  170    H3*    U  16           H3*        U  16   1.919   3.927   4.892
  171    H2*    U  16           H2*        U  16   2.824   1.733   4.474
  172   2HO*    U  16          2HO*        U  16   1.807   0.784   6.939
  173    H1*    U  16           H1*        U  16   0.544   0.334   5.150
  174    H3     U  16           H3         U  16   1.527   1.539   0.583
  175    H5     U  16           H5         U  16  -2.214   2.985   1.842
  176    H6     U  16           H6         U  16  -1.564   2.465   4.098
  177   1H5*    A  17          1H5*        A  17   6.151   5.807   6.628
  178   2H5*    A  17          2H5*        A  17   4.897   5.150   5.559
  179    H4*    A  17           H4*        A  17   7.686   4.044   5.864
  180    H3*    A  17           H3*        A  17   6.629   6.047   3.910
  181    H2*    A  17           H2*        A  17   7.752   4.928   2.100
  182   2HO*    A  17          2HO*        A  17   9.138   3.105   2.610
  183    H1*    A  17           H1*        A  17   7.011   2.352   2.818
  184    H8     A  17           H8         A  17   3.943   3.947   3.817
  185   1H6     A  17          1H6         A  17   2.407   4.662  -2.140
  186   2H6     A  17          2H6         A  17   1.821   4.706  -0.492
  187    H2     A  17           H2         A  17   6.761   3.610  -1.941
  188   1H5*    A  18          1H5*        A  18  11.501   5.846   3.383
  189   2H5*    A  18          2H5*        A  18  11.653   7.598   3.148
  190    H4*    A  18           H4*        A  18  12.812   6.086   1.475
  191    H3*    A  18           H3*        A  18  11.086   8.410   0.719
  192    H2*    A  18           H2*        A  18  11.320   7.862  -1.616
  193   2HO*    A  18          2HO*        A  18  13.067   6.839  -2.270
  194    H1*    A  18           H1*        A  18  10.845   5.148  -1.340
  195    H8     A  18           H8         A  18   8.727   6.723   1.283
  196   1H6     A  18          1H6         A  18   4.510   7.787  -3.121
  197   2H6     A  18          2H6         A  18   4.816   7.782  -1.399
  198    H2     A  18           H2         A  18   8.320   6.531  -5.122
  199    H1*  OMG  19           H1*      OMG  19  11.661   9.879  -4.953
  200    H2*  OMG  19           H2*      OMG  19  11.724  12.597  -4.505
  201    H3*  OMG  19           H3*      OMG  19  12.908  12.501  -2.410
  202    H4*  OMG  19           H4*      OMG  19  14.932  10.624  -3.547
  203   1HM2  OMG  19          1HM2      OMG  19  12.985  11.935  -7.684
  204   2HM2  OMG  19          2HM2      OMG  19  12.234  10.504  -6.983
  205   3HM2  OMG  19          3HM2      OMG  19  11.518  12.093  -6.722
  206   1H5*  OMG  19          1H5*      OMG  19  14.771   9.440  -1.448
  207   2H5*  OMG  19          2H5*      OMG  19  15.028  11.176  -1.178
  208    H8   OMG  19           H8       OMG  19  11.633   9.999  -1.274
  209    HN1  OMG  19           HN1      OMG  19   5.990  11.631  -3.849
  210   1HN2  OMG  19          1HN2      OMG  19   6.204  12.001  -5.993
  211   2HN2  OMG  19          2HN2      OMG  19   7.739  11.850  -6.819
  212   1H5*    A  20          1H5*        A  20  14.569  15.570  -5.405
  213   2H5*    A  20          2H5*        A  20  14.434  17.018  -4.388
  214    H4*    A  20           H4*        A  20  13.097  17.014  -6.520
  215    H3*    A  20           H3*        A  20  11.876  17.627  -3.852
  216    H2*    A  20           H2*        A  20   9.721  17.891  -4.910
  217   2HO*    A  20          2HO*        A  20  11.009  17.323  -7.394
  218    H1*    A  20           H1*        A  20   9.843  15.517  -6.300
  219    H8     A  20           H8         A  20  11.880  14.828  -3.270
  220   1H6     A  20          1H6         A  20   6.585  13.847  -0.210
  221   2H6     A  20          2H6         A  20   8.328  13.700  -0.147
  222    H2     A  20           H2         A  20   5.578  15.640  -4.195
  223    H3T    A  20           H3T        A  20  13.229  18.921  -5.650
  Start of MODEL    8
    1    HN1  PSU   1           HN1      PSU   1  -0.153  12.556   1.481
    2    HN3  PSU   1           HN3      PSU   1   2.710  13.346  -1.315
    3    H6   PSU   1           H6       PSU   1  -1.893  12.900  -0.132
    4    H1*  PSU   1           H1*      PSU   1  -1.260  14.292  -3.445
    5    H2*  PSU   1           H2*      PSU   1  -1.307  11.517  -3.411
    6   *HO2  PSU   1          *HO2      PSU   1  -3.516  12.650  -4.645
    7    H3*  PSU   1           H3*      PSU   1  -2.893  11.296  -1.617
    8    H4*  PSU   1           H4*      PSU   1  -4.630  13.406  -2.830
    9   1H5*  PSU   1          1H5*      PSU   1  -4.791  14.236  -0.486
   10   2H5*  PSU   1          2H5*      PSU   1  -5.404  12.595  -0.757
   11    H5T  PSU   1           H5T      PSU   1  -4.049  11.979   0.703
   12   1H5*    C   2          1H5*        C   2  -3.534  11.492  -6.003
   13   2H5*    C   2          2H5*        C   2  -4.159   9.886  -6.427
   14    H4*    C   2           H4*        C   2  -2.736  10.576  -8.180
   15    H3*    C   2           H3*        C   2  -1.626   8.383  -6.480
   16    H2*    C   2           H2*        C   2   0.456   8.436  -7.680
   17   2HO*    C   2          2HO*        C   2   0.657   9.491  -9.622
   18    H1*    C   2           H1*        C   2   0.737  11.196  -7.720
   19   1H4     C   2          1H4         C   2   3.617   9.785  -2.267
   20   2H4     C   2          2H4         C   2   2.091   9.390  -1.510
   21    H5     C   2           H5         C   2  -0.015   9.401  -2.703
   22    H6     C   2           H6         C   2  -1.078   9.768  -4.865
   23   1H5*    U   3          1H5*        U   3  -0.526   7.117 -10.342
   24   2H5*    U   3          2H5*        U   3  -1.624   5.759 -10.660
   25    H4*    U   3           H4*        U   3   0.312   4.862 -11.406
   26    H3*    U   3           H3*        U   3   0.062   4.098  -8.529
   27    H2*    U   3           H2*        U   3   2.279   3.165  -8.523
   28   2HO*    U   3          2HO*        U   3   2.498   3.768 -11.297
   29    H1*    U   3           H1*        U   3   3.515   5.256  -9.851
   30    H3     U   3           H3         U   3   4.787   6.238  -5.671
   31    H5     U   3           H5         U   3   0.678   7.108  -5.671
   32    H6     U   3           H6         U   3   0.561   6.183  -7.891
   33   1H5*    C   4          1H5*        C   4   2.730   1.499 -10.303
   34   2H5*    C   4          2H5*        C   4   1.955  -0.094 -10.222
   35    H4*    C   4           H4*        C   4   4.245  -0.190  -9.441
   36    H3*    C   4           H3*        C   4   2.064  -0.833  -7.502
   37    H2*    C   4           H2*        C   4   3.658  -1.078  -5.716
   38   2HO*    C   4          2HO*        C   4   5.890  -0.447  -7.244
   39    H1*    C   4           H1*        C   4   5.121   1.208  -6.281
   40   1H4     C   4          1H4         C   4   0.656   3.438  -2.384
   41   2H4     C   4          2H4         C   4  -0.533   3.406  -3.666
   42    H5     C   4           H5         C   4  -0.068   2.512  -5.869
   43    H6     C   4           H6         C   4   1.627   1.469  -7.281
   44    H1*  OMG   5           H1*      OMG   5   6.247  -1.511  -3.148
   45    H2*  OMG   5           H2*      OMG   5   5.961  -3.711  -1.490
   46    H3*  OMG   5           H3*      OMG   5   4.441  -4.922  -2.910
   47    H4*  OMG   5           H4*      OMG   5   6.144  -4.349  -5.301
   48   1HM2  OMG   5          1HM2      OMG   5   9.344  -3.113  -2.036
   49   2HM2  OMG   5          2HM2      OMG   5   7.922  -2.605  -1.128
   50   3HM2  OMG   5          3HM2      OMG   5   8.366  -1.765  -2.612
   51   1H5*  OMG   5          1H5*      OMG   5   3.985  -5.557  -5.516
   52   2H5*  OMG   5          2H5*      OMG   5   3.158  -4.073  -5.003
   53    H8   OMG   5           H8       OMG   5   2.800  -2.157  -3.929
   54    HN1  OMG   5           HN1      OMG   5   3.445  -0.244   2.160
   55   1HN2  OMG   5          1HN2      OMG   5   5.537  -0.382   2.787
   56   2HN2  OMG   5          2HN2      OMG   5   6.798  -0.946   1.715
   57    H1*  OMG   6           H1*      OMG   6   5.818  -3.248   3.096
   58    H2*  OMG   6           H2*      OMG   6   4.607  -5.764   3.409
   59    H3*  OMG   6           H3*      OMG   6   5.304  -6.624   1.275
   60    H4*  OMG   6           H4*      OMG   6   8.014  -5.402   1.729
   61   1HM2  OMG   6          1HM2      OMG   6   6.559  -5.022   6.157
   62   2HM2  OMG   6          2HM2      OMG   6   6.516  -3.577   5.149
   63   3HM2  OMG   6          3HM2      OMG   6   5.068  -4.564   5.336
   64   1H5*  OMG   6          1H5*      OMG   6   7.728  -4.766  -0.729
   65   2H5*  OMG   6          2H5*      OMG   6   8.000  -6.471  -0.322
   66    H8   OMG   6           H8       OMG   6   4.280  -4.368  -0.149
   67    HN1  OMG   6           HN1      OMG   6   0.153  -1.676   3.959
   68   1HN2  OMG   6          1HN2      OMG   6   1.084  -1.424   5.921
   69   2HN2  OMG   6          2HN2      OMG   6   2.731  -1.919   6.244
   70   1H5*    C   7          1H5*        C   7   6.233  -7.723   5.275
   71   2H5*    C   7          2H5*        C   7   5.898  -9.461   5.399
   72    H4*    C   7           H4*        C   7   4.728  -8.373   7.147
   73    H3*    C   7           H3*        C   7   2.937  -9.364   4.949
   74    H2*    C   7           H2*        C   7   1.036  -8.483   6.126
   75   2HO*    C   7          2HO*        C   7   2.902  -8.132   8.262
   76    H1*    C   7           H1*        C   7   2.262  -6.062   6.874
   77   1H4     C   7          1H4         C   7  -0.735  -4.363   1.577
   78   2H4     C   7          2H4         C   7   0.411  -5.248   0.595
   79    H5     C   7           H5         C   7   2.170  -6.622   1.537
   80    H6     C   7           H6         C   7   3.189  -7.413   3.608
   81   1H5*    C   8          1H5*        C   8   1.339 -10.719   8.534
   82   2H5*    C   8          2H5*        C   8   1.207 -12.488   8.551
   83    H4*    C   8           H4*        C   8  -0.836 -11.805   9.360
   84    H3*    C   8           H3*        C   8  -1.032 -12.532   6.477
   85    H2*    C   8           H2*        C   8  -3.273 -11.710   6.315
   86   2HO*    C   8          2HO*        C   8  -3.248 -11.282   9.134
   87    H1*    C   8           H1*        C   8  -2.935  -9.397   7.838
   88   1H4     C   8          1H4         C   8  -1.838  -7.057   2.090
   89   2H4     C   8          2H4         C   8  -0.437  -8.079   1.865
   90    H5     C   8           H5         C   8   0.279  -9.710   3.510
   91    H6     C   8           H6         C   8  -0.229 -10.708   5.677
   92    HN1  PSU   9           HN1      PSU   9  -2.948  -9.789   2.269
   93    HN3  PSU   9           HN3      PSU   9  -6.436  -7.681   2.122
   94    H6   PSU   9           H6       PSU   9  -3.571 -10.774   4.359
   95    H1*  PSU   9           H1*      PSU   9  -5.819  -9.734   6.507
   96    H2*  PSU   9           H2*      PSU   9  -7.862 -10.610   4.786
   97   *HO2  PSU   9          *HO2      PSU   9  -7.535 -11.592   7.435
   98    H3*  PSU   9           H3*      PSU   9  -6.746 -12.679   4.231
   99    H4*  PSU   9           H4*      PSU   9  -6.099 -12.956   7.160
  100   1H5*  PSU   9          1H5*      PSU   9  -5.282 -14.842   6.138
  101   2H5*  PSU   9          2H5*      PSU   9  -4.856 -13.980   4.645
  102   1H5*    U  10          1H5*        U  10  -7.761 -11.425   2.709
  103   2H5*    U  10          2H5*        U  10  -9.483 -11.410   3.133
  104    H4*    U  10           H4*        U  10  -9.238 -11.033   0.782
  105    H3*    U  10           H3*        U  10 -11.078 -12.735   1.628
  106    H2*    U  10           H2*        U  10  -9.703 -14.728   1.690
  107   2HO*    U  10          2HO*        U  10 -10.046 -15.401  -0.836
  108    H1*    U  10           H1*        U  10  -8.538 -14.013  -1.049
  109    H3     U  10           H3         U  10  -6.217 -17.844  -0.569
  110    H5     U  10           H5         U  10  -5.092 -15.536   2.754
  111    H6     U  10           H6         U  10  -6.777 -13.940   2.119
  112   1H5*    U  11          1H5*        U  11 -15.167 -11.276  -0.306
  113   2H5*    U  11          2H5*        U  11 -14.558 -11.162  -1.969
  114    H4*    U  11           H4*        U  11 -15.574  -9.103  -1.509
  115    H3*    U  11           H3*        U  11 -13.089  -8.985  -2.405
  116    H2*    U  11           H2*        U  11 -11.939  -9.100  -0.281
  117   2HO*    U  11          2HO*        U  11 -11.385  -7.084  -1.357
  118    H1*    U  11           H1*        U  11 -13.892  -7.071   0.911
  119    H3     U  11           H3         U  11 -12.528  -7.677   5.089
  120    H5     U  11           H5         U  11 -11.676 -11.391   3.321
  121    H6     U  11           H6         U  11 -12.564 -10.528   1.260
  122   1H5*    U  12          1H5*        U  12 -11.092  -5.874  -4.512
  123   2H5*    U  12          2H5*        U  12 -10.083  -7.276  -4.106
  124    H4*    U  12           H4*        U  12 -10.270  -4.678  -2.589
  125    H3*    U  12           H3*        U  12  -8.770  -4.783  -4.733
  126    H2*    U  12           H2*        U  12  -7.800  -6.976  -4.369
  127   2HO*    U  12          2HO*        U  12  -6.197  -4.956  -4.180
  128    H1*    U  12           H1*        U  12  -7.124  -6.266  -1.478
  129    H3     U  12           H3         U  12  -5.596 -10.601  -2.238
  130    H5     U  12           H5         U  12  -9.699 -10.799  -1.355
  131    H6     U  12           H6         U  12  -9.788  -8.408  -1.603
  132    H1*  OMG  13           H1*      OMG  13  -9.435  -4.541   3.185
  133    H2*  OMG  13           H2*      OMG  13  -8.335  -2.005   3.143
  134    H3*  OMG  13           H3*      OMG  13  -8.778  -1.593   0.808
  135    H4*  OMG  13           H4*      OMG  13 -11.597  -2.541   1.176
  136   1HM2  OMG  13          1HM2      OMG  13  -9.162  -3.143   5.139
  137   2HM2  OMG  13          2HM2      OMG  13 -10.722  -3.914   4.856
  138   3HM2  OMG  13          3HM2      OMG  13 -10.640  -2.390   5.734
  139   1H5*  OMG  13          1H5*      OMG  13 -11.323  -3.590  -1.004
  140   2H5*  OMG  13          2H5*      OMG  13 -10.939  -1.858  -1.046
  141    H8   OMG  13           H8       OMG  13  -7.814  -3.392  -0.108
  142    HN1  OMG  13           HN1      OMG  13  -4.082  -6.782   3.851
  143   1HN2  OMG  13          1HN2      OMG  13  -5.098  -7.136   5.749
  144   2HN2  OMG  13          2HN2      OMG  13  -6.714  -6.545   6.065
  145   1H5*    G  14          1H5*        G  14 -10.187  -0.008   4.429
  146   2H5*    G  14          2H5*        G  14  -9.629   1.667   4.602
  147    H4*    G  14           H4*        G  14  -8.979   0.285   6.501
  148    H3*    G  14           H3*        G  14  -6.739   1.399   4.821
  149    H2*    G  14           H2*        G  14  -5.187   0.387   6.352
  150   2HO*    G  14          2HO*        G  14  -7.063  -0.717   8.051
  151    H1*    G  14           H1*        G  14  -6.659  -2.014   6.648
  152    H8     G  14           H8         G  14  -6.504  -0.819   3.069
  153    H1     G  14           H1         G  14  -1.458  -4.312   4.939
  154   1H2     G  14          1H2         G  14  -1.498  -4.614   7.103
  155   2H2     G  14          2H2         G  14  -2.771  -3.972   8.116
  156   1H5*    C  15          1H5*        C  15  -5.545   1.770   8.527
  157   2H5*    C  15          2H5*        C  15  -5.505   3.485   8.980
  158    H4*    C  15           H4*        C  15  -3.534   2.807   9.860
  159    H3*    C  15           H3*        C  15  -2.917   3.731   7.075
  160    H2*    C  15           H2*        C  15  -0.634   3.015   7.342
  161   2HO*    C  15          2HO*        C  15  -0.213   1.986   9.561
  162    H1*    C  15           H1*        C  15  -1.224   0.557   8.497
  163   1H4     C  15          1H4         C  15  -1.107  -0.945   2.355
  164   2H4     C  15          2H4         C  15  -2.580  -0.056   2.055
  165    H5     C  15           H5         C  15  -3.716   1.227   3.768
  166    H6     C  15           H6         C  15  -3.657   1.923   6.104
  167   1H5*    U  16          1H5*        U  16   1.700   5.972   7.973
  168   2H5*    U  16          2H5*        U  16   0.761   5.330   6.611
  169    H4*    U  16           H4*        U  16   2.320   3.690   8.606
  170    H3*    U  16           H3*        U  16   3.124   4.713   5.910
  171    H2*    U  16           H2*        U  16   4.096   2.580   5.367
  172   2HO*    U  16          2HO*        U  16   4.916   2.286   7.588
  173    H1*    U  16           H1*        U  16   1.987   1.036   6.316
  174    H3     U  16           H3         U  16   2.242   1.498   1.655
  175    H5     U  16           H5         U  16  -0.889   3.899   3.102
  176    H6     U  16           H6         U  16  -0.029   3.546   5.320
  177   1H5*    A  17          1H5*        A  17   6.204   2.089   5.751
  178   2H5*    A  17          2H5*        A  17   7.377   3.141   6.569
  179    H4*    A  17           H4*        A  17   8.654   2.602   4.811
  180    H3*    A  17           H3*        A  17   7.037   4.925   3.823
  181    H2*    A  17           H2*        A  17   7.940   4.623   1.613
  182   2HO*    A  17          2HO*        A  17   9.966   3.966   1.583
  183    H1*    A  17           H1*        A  17   7.663   1.850   1.553
  184    H8     A  17           H8         A  17   4.814   3.542   3.417
  185   1H6     A  17          1H6         A  17   1.932   3.792  -2.059
  186   2H6     A  17          2H6         A  17   1.763   4.049  -0.337
  187    H2     A  17           H2         A  17   6.135   2.401  -2.761
  188   1H5*    A  18          1H5*        A  18  11.613   4.921   2.556
  189   2H5*    A  18          2H5*        A  18  11.931   6.665   2.487
  190    H4*    A  18           H4*        A  18  12.621   5.290   0.482
  191    H3*    A  18           H3*        A  18  11.000   7.802   0.270
  192    H2*    A  18           H2*        A  18  10.856   7.509  -2.117
  193   2HO*    A  18          2HO*        A  18  11.994   5.375  -2.823
  194    H1*    A  18           H1*        A  18  10.228   4.801  -2.037
  195    H8     A  18           H8         A  18   8.763   6.793   0.871
  196   1H6     A  18          1H6         A  18   3.750   7.481  -2.696
  197   2H6     A  18          2H6         A  18   4.428   7.754  -1.107
  198    H2     A  18           H2         A  18   6.942   5.503  -5.147
  199    H1*  OMG  19           H1*      OMG  19  10.532   9.438  -5.327
  200    H2*  OMG  19           H2*      OMG  19  10.463  12.139  -4.579
  201    H3*  OMG  19           H3*      OMG  19  12.000  11.922  -2.741
  202    H4*  OMG  19           H4*      OMG  19  13.749  10.170  -4.442
  203   1HM2  OMG  19          1HM2      OMG  19  10.958  10.104  -7.376
  204   2HM2  OMG  19          2HM2      OMG  19   9.856  11.341  -6.773
  205   3HM2  OMG  19          3HM2      OMG  19  11.086  11.761  -7.963
  206   1H5*  OMG  19          1H5*      OMG  19  14.154   8.894  -2.429
  207   2H5*  OMG  19          2H5*      OMG  19  14.477  10.619  -2.162
  208    H8   OMG  19           H8       OMG  19  10.634   9.629  -1.593
  209    HN1  OMG  19           HN1      OMG  19   4.752  10.266  -4.070
  210   1HN2  OMG  19          1HN2      OMG  19   4.860  10.554  -6.237
  211   2HN2  OMG  19          2HN2      OMG  19   6.382  10.591  -7.099
  212   1H5*    A  20          1H5*        A  20  11.738  13.463  -6.734
  213   2H5*    A  20          2H5*        A  20  12.122  15.184  -6.531
  214    H4*    A  20           H4*        A  20   9.999  14.759  -7.725
  215    H3*    A  20           H3*        A  20  10.011  16.392  -5.209
  216    H2*    A  20           H2*        A  20   7.639  16.564  -5.266
  217   2HO*    A  20          2HO*        A  20   8.073  16.711  -7.848
  218    H1*    A  20           H1*        A  20   7.153  13.997  -6.450
  219    H8     A  20           H8         A  20   9.368  14.121  -3.355
  220   1H6     A  20          1H6         A  20   4.185  13.114  -0.121
  221   2H6     A  20          2H6         A  20   5.927  13.239  -0.035
  222    H2     A  20           H2         A  20   3.042  13.796  -4.402
  223    H3T    A  20           H3T        A  20  10.819  16.958  -7.381
  Start of MODEL    9
    1    HN1  PSU   1           HN1      PSU   1   1.945  14.613   1.998
    2    HN3  PSU   1           HN3      PSU   1   4.951  15.380  -0.648
    3    H6   PSU   1           H6       PSU   1   0.291  15.196   0.363
    4    H1*  PSU   1           H1*      PSU   1   1.182  16.663  -2.896
    5    H2*  PSU   1           H2*      PSU   1   0.648  13.916  -2.736
    6   *HO2  PSU   1          *HO2      PSU   1  -0.274  16.101  -4.227
    7    H3*  PSU   1           H3*      PSU   1  -1.088  14.087  -1.089
    8    H4*  PSU   1           H4*      PSU   1  -2.212  16.476  -2.509
    9   1H5*  PSU   1          1H5*      PSU   1  -2.647  17.375  -0.314
   10   2H5*  PSU   1          2H5*      PSU   1  -3.300  15.733  -0.460
   11    H5T  PSU   1           H5T      PSU   1  -2.162  16.056   1.506
   12   1H5*    C   2          1H5*        C   2  -1.904  14.200  -5.555
   13   2H5*    C   2          2H5*        C   2  -2.494  12.595  -6.029
   14    H4*    C   2           H4*        C   2  -0.982  13.468  -7.691
   15    H3*    C   2           H3*        C   2  -0.135  11.014  -6.211
   16    H2*    C   2           H2*        C   2   1.998  11.020  -7.318
   17   2HO*    C   2          2HO*        C   2   2.093  13.083  -8.860
   18    H1*    C   2           H1*        C   2   2.499  13.738  -7.046
   19   1H4     C   2          1H4         C   2   5.041  11.519  -1.697
   20   2H4     C   2          2H4         C   2   3.461  11.175  -1.034
   21    H5     C   2           H5         C   2   1.411  11.489  -2.282
   22    H6     C   2           H6         C   2   0.466  12.160  -4.426
   23   1H5*    U   3          1H5*        U   3   1.073  10.114 -10.111
   24   2H5*    U   3          2H5*        U   3  -0.130   8.931 -10.663
   25    H4*    U   3           H4*        U   3   1.788   7.993 -11.447
   26    H3*    U   3           H3*        U   3   1.152   6.771  -8.803
   27    H2*    U   3           H2*        U   3   3.257   5.615  -8.734
   28   2HO*    U   3          2HO*        U   3   4.320   6.557 -11.075
   29    H1*    U   3           H1*        U   3   4.840   7.733  -9.524
   30    H3     U   3           H3         U   3   5.647   7.946  -5.129
   31    H5     U   3           H5         U   3   1.637   9.157  -5.433
   32    H6     U   3           H6         U   3   1.734   8.621  -7.777
   33   1H5*    C   4          1H5*        C   4   3.717   3.536 -10.737
   34   2H5*    C   4          2H5*        C   4   2.625   2.193 -10.351
   35    H4*    C   4           H4*        C   4   4.998   2.216  -9.356
   36    H3*    C   4           H3*        C   4   2.492   1.484  -7.895
   37    H2*    C   4           H2*        C   4   3.712   1.280  -5.834
   38   2HO*    C   4          2HO*        C   4   5.952   1.387  -7.583
   39    H1*    C   4           H1*        C   4   5.208   3.604  -6.122
   40   1H4     C   4          1H4         C   4   0.044   5.540  -2.988
   41   2H4     C   4          2H4         C   4  -0.817   5.735  -4.499
   42    H5     C   4           H5         C   4   0.112   5.073  -6.636
   43    H6     C   4           H6         C   4   2.041   4.077  -7.749
   44    H1*  OMG   5           H1*      OMG   5   6.733  -0.510  -3.785
   45    H2*  OMG   5           H2*      OMG   5   6.187  -2.997  -2.744
   46    H3*  OMG   5           H3*      OMG   5   4.878  -3.799  -4.597
   47    H4*  OMG   5           H4*      OMG   5   6.909  -2.867  -6.570
   48   1HM2  OMG   5          1HM2      OMG   5   8.753  -3.018  -1.959
   49   2HM2  OMG   5          2HM2      OMG   5   8.067  -1.416  -2.225
   50   3HM2  OMG   5          3HM2      OMG   5   9.612  -1.847  -2.957
   51   1H5*  OMG   5          1H5*      OMG   5   5.244  -2.719  -8.039
   52   2H5*  OMG   5          2H5*      OMG   5   4.353  -3.703  -6.860
   53    H8   OMG   5           H8       OMG   5   3.517  -0.848  -5.358
   54    HN1  OMG   5           HN1      OMG   5   2.906  -0.342   1.005
   55   1HN2  OMG   5          1HN2      OMG   5   4.835  -0.685   1.989
   56   2HN2  OMG   5          2HN2      OMG   5   6.293  -1.040   1.089
   57    H1*  OMG   6           H1*      OMG   6   5.738  -3.168   1.193
   58    H2*  OMG   6           H2*      OMG   6   4.396  -5.583   1.678
   59    H3*  OMG   6           H3*      OMG   6   5.131  -6.661  -0.346
   60    H4*  OMG   6           H4*      OMG   6   7.883  -5.546   0.143
   61   1HM2  OMG   6          1HM2      OMG   6   6.323  -4.749   4.444
   62   2HM2  OMG   6          2HM2      OMG   6   6.066  -3.387   3.356
   63   3HM2  OMG   6          3HM2      OMG   6   4.771  -4.550   3.633
   64   1H5*  OMG   6          1H5*      OMG   6   8.166  -5.446  -2.186
   65   2H5*  OMG   6          2H5*      OMG   6   7.405  -7.011  -1.841
   66    H8   OMG   6           H8       OMG   6   4.446  -4.159  -2.112
   67    HN1  OMG   6           HN1      OMG   6  -0.121  -1.886   1.778
   68   1HN2  OMG   6          1HN2      OMG   6   0.610  -1.777   3.833
   69   2HN2  OMG   6          2HN2      OMG   6   2.234  -2.259   4.275
   70   1H5*    C   7          1H5*        C   7   6.098  -8.260   3.622
   71   2H5*    C   7          2H5*        C   7   5.375  -9.878   3.724
   72    H4*    C   7           H4*        C   7   4.587  -8.398   5.497
   73    H3*    C   7           H3*        C   7   2.553  -9.442   3.546
   74    H2*    C   7           H2*        C   7   0.842  -8.214   4.716
   75   2HO*    C   7          2HO*        C   7   2.607  -7.156   6.610
   76    H1*    C   7           H1*        C   7   2.323  -5.865   5.002
   77   1H4     C   7          1H4         C   7  -1.023  -5.103  -0.344
   78   2H4     C   7          2H4         C   7   0.235  -5.908  -1.254
   79    H5     C   7           H5         C   7   2.160  -6.943  -0.207
   80    H6     C   7           H6         C   7   3.249  -7.431   1.921
   81   1H5*    C   8          1H5*        C   8   1.465  -9.604   7.664
   82   2H5*    C   8          2H5*        C   8   1.022 -11.270   8.087
   83    H4*    C   8           H4*        C   8  -0.416  -9.633   9.176
   84    H3*    C   8           H3*        C   8  -1.608 -11.635   7.317
   85    H2*    C   8           H2*        C   8  -3.775 -10.607   7.461
   86   2HO*    C   8          2HO*        C   8  -2.668  -8.818   9.395
   87    H1*    C   8           H1*        C   8  -2.929  -7.997   7.157
   88   1H4     C   8          1H4         C   8  -3.780 -10.005   1.185
   89   2H4     C   8          2H4         C   8  -2.088 -10.444   1.107
   90    H5     C   8           H5         C   8  -0.613 -10.345   3.027
   91    H6     C   8           H6         C   8  -0.469  -9.829   5.406
   92    HN1  PSU   9           HN1      PSU   9  -3.170 -12.550   4.349
   93    HN3  PSU   9           HN3      PSU   9  -6.394 -12.128   1.885
   94    H6   PSU   9           H6       PSU   9  -4.585 -12.536   6.284
   95    H1*  PSU   9           H1*      PSU   9  -8.262 -12.038   6.025
   96    H2*  PSU   9           H2*      PSU   9  -6.875 -14.452   6.521
   97   *HO2  PSU   9          *HO2      PSU   9  -8.875 -13.129   8.081
   98    H3*  PSU   9           H3*      PSU   9  -5.315 -13.536   8.086
   99    H4*  PSU   9           H4*      PSU   9  -7.486 -11.804   9.229
  100   1H5*  PSU   9          1H5*      PSU   9  -5.413 -10.119   8.828
  101   2H5*  PSU   9          2H5*      PSU   9  -5.687 -11.059  10.308
  102   1H5*    U  10          1H5*        U  10  -7.696 -17.926   7.838
  103   2H5*    U  10          2H5*        U  10  -7.547 -16.662   6.602
  104    H4*    U  10           H4*        U  10  -9.641 -18.290   6.771
  105    H3*    U  10           H3*        U  10  -9.189 -16.243   5.135
  106    H2*    U  10           H2*        U  10  -9.743 -14.456   6.675
  107   2HO*    U  10          2HO*        U  10 -11.169 -14.333   4.823
  108    H1*    U  10           H1*        U  10 -12.212 -16.042   7.568
  109    H3     U  10           H3         U  10 -12.914 -12.262  10.002
  110    H5     U  10           H5         U  10  -9.420 -13.969  11.589
  111    H6     U  10           H6         U  10  -9.435 -15.520   9.749
  112   1H5*    U  11          1H5*        U  11 -10.093 -16.142   1.222
  113   2H5*    U  11          2H5*        U  11  -9.862 -14.538   1.945
  114    H4*    U  11           H4*        U  11 -12.010 -15.559   0.187
  115    H3*    U  11           H3*        U  11 -10.198 -13.719  -0.378
  116    H2*    U  11           H2*        U  11 -10.586 -12.237   1.490
  117   2HO*    U  11          2HO*        U  11 -12.537 -11.432  -0.440
  118    H1*    U  11           H1*        U  11 -13.609 -12.472   1.105
  119    H3     U  11           H3         U  11 -14.597 -10.529   4.967
  120    H5     U  11           H5         U  11 -10.835 -12.221   5.757
  121    H6     U  11           H6         U  11 -10.829 -13.068   3.506
  122   1H5*    U  12          1H5*        U  12 -12.863 -11.482  -5.135
  123   2H5*    U  12          2H5*        U  12 -11.150 -11.914  -4.964
  124    H4*    U  12           H4*        U  12 -11.373  -9.546  -5.273
  125    H3*    U  12           H3*        U  12  -9.767 -10.551  -3.375
  126    H2*    U  12           H2*        U  12 -11.242 -10.429  -1.501
  127   2HO*    U  12          2HO*        U  12 -10.274  -8.920  -0.353
  128    H1*    U  12           H1*        U  12 -12.325  -7.733  -2.455
  129    H3     U  12           H3         U  12 -16.681  -9.736  -1.441
  130    H5     U  12           H5         U  12 -14.043  -9.590   1.823
  131    H6     U  12           H6         U  12 -12.274  -9.085   0.271
  132    H1*  OMG  13           H1*      OMG  13 -10.361  -6.450   1.257
  133    H2*  OMG  13           H2*      OMG  13  -8.899  -4.158   0.828
  134    H3*  OMG  13           H3*      OMG  13  -9.296  -4.019  -1.545
  135    H4*  OMG  13           H4*      OMG  13 -12.223  -4.464  -1.164
  136   1HM2  OMG  13          1HM2      OMG  13  -9.857  -4.806   2.965
  137   2HM2  OMG  13          2HM2      OMG  13 -11.514  -5.377   2.791
  138   3HM2  OMG  13          3HM2      OMG  13 -11.202  -3.761   3.419
  139   1H5*  OMG  13          1H5*      OMG  13 -12.207  -5.667  -3.150
  140   2H5*  OMG  13          2H5*      OMG  13 -11.047  -4.351  -3.416
  141    H8   OMG  13           H8       OMG  13  -9.053  -6.657  -2.259
  142    HN1  OMG  13           HN1      OMG  13  -4.845  -8.402   2.247
  143   1HN2  OMG  13          1HN2      OMG  13  -5.571  -7.855   4.231
  144   2HN2  OMG  13          2HN2      OMG  13  -7.109  -7.057   4.471
  145   1H5*    G  14          1H5*        G  14 -10.728  -1.601   1.429
  146   2H5*    G  14          2H5*        G  14 -10.142   0.074   1.444
  147    H4*    G  14           H4*        G  14  -9.832  -1.023   3.596
  148    H3*    G  14           H3*        G  14  -7.394  -0.094   2.119
  149    H2*    G  14           H2*        G  14  -5.993  -0.980   3.866
  150   2HO*    G  14          2HO*        G  14  -8.293  -1.800   5.313
  151    H1*    G  14           H1*        G  14  -7.327  -3.414   4.102
  152    H8     G  14           H8         G  14  -7.475  -2.523   0.492
  153    H1     G  14           H1         G  14  -1.813  -4.941   2.291
  154   1H2     G  14          1H2         G  14  -1.677  -5.024   4.477
  155   2H2     G  14          2H2         G  14  -2.978  -4.489   5.516
  156   1H5*    C  15          1H5*        C  15  -6.653   0.298   5.959
  157   2H5*    C  15          2H5*        C  15  -6.792   2.017   6.377
  158    H4*    C  15           H4*        C  15  -5.006   1.382   7.648
  159    H3*    C  15           H3*        C  15  -3.983   2.566   5.100
  160    H2*    C  15           H2*        C  15  -1.720   1.980   5.688
  161   2HO*    C  15          2HO*        C  15  -1.190   1.776   7.740
  162    H1*    C  15           H1*        C  15  -2.258  -0.616   6.430
  163   1H4     C  15          1H4         C  15  -1.451  -1.264   0.179
  164   2H4     C  15          2H4         C  15  -3.014  -0.551  -0.137
  165    H5     C  15           H5         C  15  -4.433   0.347   1.607
  166    H6     C  15           H6         C  15  -4.635   0.747   4.005
  167   1H5*    U  16          1H5*        U  16   0.349   4.991   7.171
  168   2H5*    U  16          2H5*        U  16  -0.426   4.669   5.607
  169    H4*    U  16           H4*        U  16   0.618   2.552   7.484
  170    H3*    U  16           H3*        U  16   2.017   3.926   5.213
  171    H2*    U  16           H2*        U  16   2.918   1.816   4.496
  172   2HO*    U  16          2HO*        U  16   1.944   0.923   7.025
  173    H1*    U  16           H1*        U  16   0.555   0.354   4.844
  174    H3     U  16           H3         U  16   2.041   1.602   0.471
  175    H5     U  16           H5         U  16  -1.654   3.371   1.402
  176    H6     U  16           H6         U  16  -1.290   2.738   3.693
  177   1H5*    A  17          1H5*        A  17   6.749   4.064   7.182
  178   2H5*    A  17          2H5*        A  17   6.501   5.538   6.226
  179    H4*    A  17           H4*        A  17   8.233   3.497   5.640
  180    H3*    A  17           H3*        A  17   7.152   5.762   4.005
  181    H2*    A  17           H2*        A  17   8.032   4.763   2.001
  182   2HO*    A  17          2HO*        A  17   9.095   2.483   2.823
  183    H1*    A  17           H1*        A  17   7.197   2.168   2.559
  184    H8     A  17           H8         A  17   4.312   3.844   3.906
  185   1H6     A  17          1H6         A  17   2.410   5.136  -1.843
  186   2H6     A  17          2H6         A  17   1.945   5.074  -0.158
  187    H2     A  17           H2         A  17   6.696   3.835  -2.054
  188   1H5*    A  18          1H5*        A  18  12.000   5.575   3.326
  189   2H5*    A  18          2H5*        A  18  12.202   7.336   3.236
  190    H4*    A  18           H4*        A  18  13.314   5.939   1.438
  191    H3*    A  18           H3*        A  18  11.674   8.377   0.916
  192    H2*    A  18           H2*        A  18  11.797   8.032  -1.462
  193   2HO*    A  18          2HO*        A  18  13.061   5.945  -2.024
  194    H1*    A  18           H1*        A  18  11.203   5.335  -1.428
  195    H8     A  18           H8         A  18   9.365   6.873   1.463
  196   1H6     A  18          1H6         A  18   4.848   8.240  -2.541
  197   2H6     A  18          2H6         A  18   5.299   8.179  -0.852
  198    H2     A  18           H2         A  18   8.407   6.847  -4.886
  199    H1*  OMG  19           H1*      OMG  19  11.885  10.247  -4.660
  200    H2*  OMG  19           H2*      OMG  19  12.024  12.925  -3.925
  201    H3*  OMG  19           H3*      OMG  19  13.343  12.592  -1.942
  202    H4*  OMG  19           H4*      OMG  19  15.157  10.721  -3.414
  203   1HM2  OMG  19          1HM2      OMG  19  12.585  10.852  -6.651
  204   2HM2  OMG  19          2HM2      OMG  19  11.576  12.213  -6.165
  205   3HM2  OMG  19          3HM2      OMG  19  12.955  12.474  -7.230
  206   1H5*  OMG  19          1H5*      OMG  19  15.147   9.391  -1.394
  207   2H5*  OMG  19          2H5*      OMG  19  15.545  11.084  -1.040
  208    H8   OMG  19           H8       OMG  19  11.844  10.172  -0.957
  209    HN1  OMG  19           HN1      OMG  19   6.210  11.866  -3.512
  210   1HN2  OMG  19          1HN2      OMG  19   6.441  12.324  -5.640
  211   2HN2  OMG  19          2HN2      OMG  19   7.985  12.217  -6.457
  212   1H5*    A  20          1H5*        A  20  13.648  14.120  -5.303
  213   2H5*    A  20          2H5*        A  20  14.567  15.635  -5.401
  214    H4*    A  20           H4*        A  20  12.698  16.040  -6.699
  215    H3*    A  20           H3*        A  20  12.338  17.243  -3.979
  216    H2*    A  20           H2*        A  20  10.126  17.962  -4.582
  217   2HO*    A  20          2HO*        A  20  10.317  16.882  -7.169
  218    H1*    A  20           H1*        A  20   9.371  15.570  -5.809
  219    H8     A  20           H8         A  20  11.614  15.158  -2.742
  220   1H6     A  20          1H6         A  20   6.352  14.653   0.487
  221   2H6     A  20          2H6         A  20   8.096  14.520   0.556
  222    H2     A  20           H2         A  20   5.302  15.799  -3.718
  223    H3T    A  20           H3T        A  20  12.248  19.051  -5.645
  Start of MODEL   10
    1    HN1  PSU   1           HN1      PSU   1  -0.391  13.792  -0.821
    2    HN3  PSU   1           HN3      PSU   1   3.038  14.534  -2.903
    3    H6   PSU   1           H6       PSU   1  -1.713  14.066  -2.802
    4    H1*  PSU   1           H1*      PSU   1  -0.293  15.314  -5.952
    5    H2*  PSU   1           H2*      PSU   1  -0.555  12.553  -5.701
    6   *HO2  PSU   1          *HO2      PSU   1  -1.329  14.525  -7.478
    7    H3*  PSU   1           H3*      PSU   1  -2.540  12.595  -4.347
    8    H4*  PSU   1           H4*      PSU   1  -3.736  14.701  -6.106
    9   1H5*  PSU   1          1H5*      PSU   1  -4.362  15.744  -3.900
   10   2H5*  PSU   1          2H5*      PSU   1  -5.104  14.180  -4.286
   11    H5T  PSU   1           H5T      PSU   1  -4.184  13.377  -2.592
   12   1H5*    C   2          1H5*        C   2  -2.412  12.256  -8.928
   13   2H5*    C   2          2H5*        C   2  -2.804  10.554  -9.241
   14    H4*    C   2           H4*        C   2  -1.044  11.302 -10.707
   15    H3*    C   2           H3*        C   2  -0.384   9.167  -8.726
   16    H2*    C   2           H2*        C   2   1.929   9.194  -9.373
   17   2HO*    C   2          2HO*        C   2   0.899  10.675 -11.564
   18    H1*    C   2           H1*        C   2   2.221  11.955  -9.455
   19   1H4     C   2          1H4         C   2   3.718  10.800  -3.419
   20   2H4     C   2          2H4         C   2   2.060  10.397  -3.036
   21    H5     C   2           H5         C   2   0.303  10.322  -4.697
   22    H6     C   2           H6         C   2  -0.213  10.580  -7.063
   23   1H5*    U   3          1H5*        U   3   1.731   7.765 -11.683
   24   2H5*    U   3          2H5*        U   3   0.919   6.340 -12.361
   25    H4*    U   3           H4*        U   3   3.015   5.518 -12.162
   26    H3*    U   3           H3*        U   3   1.599   4.858  -9.612
   27    H2*    U   3           H2*        U   3   3.634   4.023  -8.647
   28   2HO*    U   3          2HO*        U   3   5.179   4.538 -10.919
   29    H1*    U   3           H1*        U   3   5.283   6.083  -9.530
   30    H3     U   3           H3         U   3   4.973   7.376  -5.271
   31    H5     U   3           H5         U   3   1.059   7.886  -6.706
   32    H6     U   3           H6         U   3   1.766   6.870  -8.771
   33   1H5*    C   4          1H5*        C   4   4.528   2.156  -9.663
   34   2H5*    C   4          2H5*        C   4   3.773   0.557  -9.514
   35    H4*    C   4           H4*        C   4   5.426   1.033  -7.752
   36    H3*    C   4           H3*        C   4   2.588   0.421  -6.993
   37    H2*    C   4           H2*        C   4   3.148   0.718  -4.674
   38   2HO*    C   4          2HO*        C   4   5.864   1.139  -5.406
   39    H1*    C   4           H1*        C   4   4.693   3.020  -5.035
   40   1H4     C   4          1H4         C   4  -1.092   5.253  -3.702
   41   2H4     C   4          2H4         C   4  -1.557   5.092  -5.381
   42    H5     C   4           H5         C   4  -0.134   4.055  -7.046
   43    H6     C   4           H6         C   4   2.025   2.989  -7.439
   44    H1*  OMG   5           H1*      OMG   5   5.399  -0.532  -3.358
   45    H2*  OMG   5           H2*      OMG   5   5.338  -2.981  -2.059
   46    H3*  OMG   5           H3*      OMG   5   3.629  -3.973  -3.433
   47    H4*  OMG   5           H4*      OMG   5   4.978  -2.969  -5.909
   48   1HM2  OMG   5          1HM2      OMG   5   7.570  -0.912  -2.912
   49   2HM2  OMG   5          2HM2      OMG   5   8.638  -2.311  -3.002
   50   3HM2  OMG   5          3HM2      OMG   5   7.419  -2.214  -1.733
   51   1H5*  OMG   5          1H5*      OMG   5   2.517  -4.078  -5.481
   52   2H5*  OMG   5          2H5*      OMG   5   2.146  -2.344  -5.553
   53    H8   OMG   5           H8       OMG   5   1.868  -1.105  -3.715
   54    HN1  OMG   5           HN1      OMG   5   3.425  -0.168   2.436
   55   1HN2  OMG   5          1HN2      OMG   5   5.587  -0.376   2.719
   56   2HN2  OMG   5          2HN2      OMG   5   6.671  -0.744   1.395
   57    H1*  OMG   6           H1*      OMG   6   5.612  -3.419   2.381
   58    H2*  OMG   6           H2*      OMG   6   4.360  -5.924   2.485
   59    H3*  OMG   6           H3*      OMG   6   4.776  -6.495   0.186
   60    H4*  OMG   6           H4*      OMG   6   7.574  -5.436   0.467
   61   1HM2  OMG   6          1HM2      OMG   6   5.040  -5.285   4.542
   62   2HM2  OMG   6          2HM2      OMG   6   6.680  -5.676   5.053
   63   3HM2  OMG   6          3HM2      OMG   6   6.330  -4.102   4.344
   64   1H5*  OMG   6          1H5*      OMG   6   6.986  -4.416  -1.819
   65   2H5*  OMG   6          2H5*      OMG   6   7.277  -6.163  -1.697
   66    H8   OMG   6           H8       OMG   6   3.774  -3.966  -0.837
   67    HN1  OMG   6           HN1      OMG   6   0.054  -2.004   4.007
   68   1HN2  OMG   6          1HN2      OMG   6   1.144  -2.112   5.899
   69   2HN2  OMG   6          2HN2      OMG   6   2.800  -2.670   5.992
   70   1H5*    C   7          1H5*        C   7   6.128  -8.369   3.792
   71   2H5*    C   7          2H5*        C   7   5.668 -10.077   3.659
   72    H4*    C   7           H4*        C   7   4.810  -9.198   5.706
   73    H3*    C   7           H3*        C   7   2.727  -9.834   3.640
   74    H2*    C   7           H2*        C   7   1.018  -9.080   5.158
   75   2HO*    C   7          2HO*        C   7   1.349  -9.233   7.256
   76    H1*    C   7           H1*        C   7   2.388  -6.788   6.006
   77   1H4     C   7          1H4         C   7  -1.148  -4.580   1.246
   78   2H4     C   7          2H4         C   7  -0.054  -5.271   0.068
   79    H5     C   7           H5         C   7   1.827  -6.669   0.681
   80    H6     C   7           H6         C   7   3.040  -7.676   2.543
   81   1H5*    C   8          1H5*        C   8   1.789 -11.642   7.220
   82   2H5*    C   8          2H5*        C   8   1.272 -13.338   7.145
   83    H4*    C   8           H4*        C   8  -0.335 -12.209   8.430
   84    H3*    C   8           H3*        C   8  -1.300 -12.898   5.682
   85    H2*    C   8           H2*        C   8  -3.374 -11.757   6.088
   86   2HO*    C   8          2HO*        C   8  -2.893 -12.468   8.578
   87    H1*    C   8           H1*        C   8  -2.280  -9.517   7.319
   88   1H4     C   8          1H4         C   8  -2.440  -7.595   1.305
   89   2H4     C   8          2H4         C   8  -1.209  -8.749   0.842
   90    H5     C   8           H5         C   8  -0.269 -10.359   2.390
   91    H6     C   8           H6         C   8  -0.354 -11.213   4.674
   92    HN1  PSU   9           HN1      PSU   9  -3.198 -11.591   2.293
   93    HN3  PSU   9           HN3      PSU   9  -6.193  -9.217   0.868
   94    H6   PSU   9           H6       PSU   9  -4.469 -12.101   4.258
   95    H1*  PSU   9           H1*      PSU   9  -7.615 -10.416   5.066
   96    H2*  PSU   9           H2*      PSU   9  -7.762 -12.912   3.714
   97   *HO2  PSU   9          *HO2      PSU   9  -9.336 -11.574   5.029
   98    H3*  PSU   9           H3*      PSU   9  -6.002 -13.915   5.016
   99    H4*  PSU   9           H4*      PSU   9  -7.191 -12.541   7.422
  100   1H5*  PSU   9          1H5*      PSU   9  -4.726 -12.227   8.002
  101   2H5*  PSU   9          2H5*      PSU   9  -5.420 -13.854   8.139
  102   1H5*    U  10          1H5*        U  10  -8.088 -17.620   3.254
  103   2H5*    U  10          2H5*        U  10  -7.552 -16.535   1.956
  104    H4*    U  10           H4*        U  10  -9.778 -17.115   1.470
  105    H3*    U  10           H3*        U  10  -9.210 -14.534   1.466
  106    H2*    U  10           H2*        U  10  -9.618 -14.086   3.811
  107   2HO*    U  10          2HO*        U  10 -12.136 -13.806   2.480
  108    H1*    U  10           H1*        U  10 -12.216 -15.700   3.671
  109    H3     U  10           H3         U  10 -11.020 -17.617   7.925
  110    H5     U  10           H5         U  10 -10.662 -13.432   7.920
  111    H6     U  10           H6         U  10 -10.858 -13.495   5.523
  112   1H5*    U  11          1H5*        U  11 -10.264 -11.702   0.589
  113   2H5*    U  11          2H5*        U  11 -11.438 -12.937   1.083
  114    H4*    U  11           H4*        U  11 -12.362 -12.043  -1.375
  115    H3*    U  11           H3*        U  11 -10.780  -9.978  -0.918
  116    H2*    U  11           H2*        U  11 -11.401  -9.540   1.376
  117   2HO*    U  11          2HO*        U  11 -12.593  -7.679   1.292
  118    H1*    U  11           H1*        U  11 -14.359  -9.866   0.684
  119    H3     U  11           H3         U  11 -15.679  -9.972   4.918
  120    H5     U  11           H5         U  11 -11.770 -11.490   5.162
  121    H6     U  11           H6         U  11 -11.600 -11.224   2.778
  122   1H5*    U  12          1H5*        U  12 -11.701  -7.315  -0.675
  123   2H5*    U  12          2H5*        U  12 -12.895  -6.821  -1.892
  124    H4*    U  12           H4*        U  12 -11.977  -4.816  -1.250
  125    H3*    U  12           H3*        U  12 -11.621  -5.281  -3.812
  126    H2*    U  12           H2*        U  12  -9.553  -6.441  -3.880
  127   2HO*    U  12          2HO*        U  12  -7.989  -4.298  -3.395
  128    H1*    U  12           H1*        U  12  -8.159  -4.973  -1.681
  129    H3     U  12           H3         U  12  -6.182  -9.062  -2.955
  130    H5     U  12           H5         U  12  -8.697  -9.671   0.353
  131    H6     U  12           H6         U  12  -9.593  -7.468  -0.020
  132    H1*  OMG  13           H1*      OMG  13  -9.688  -4.994   3.474
  133    H2*  OMG  13           H2*      OMG  13  -8.379  -2.543   3.572
  134    H3*  OMG  13           H3*      OMG  13  -9.212  -1.747   1.453
  135    H4*  OMG  13           H4*      OMG  13 -11.965  -2.660   2.227
  136   1HM2  OMG  13          1HM2      OMG  13  -8.890  -3.907   5.514
  137   2HM2  OMG  13          2HM2      OMG  13 -10.526  -4.560   5.461
  138   3HM2  OMG  13          3HM2      OMG  13 -10.164  -3.174   6.486
  139   1H5*  OMG  13          1H5*      OMG  13 -12.381  -3.066  -0.022
  140   2H5*  OMG  13          2H5*      OMG  13 -11.421  -1.576  -0.006
  141    H8   OMG  13           H8       OMG  13  -8.562  -3.709   0.064
  142    HN1  OMG  13           HN1      OMG  13  -4.287  -7.284   3.231
  143   1HN2  OMG  13          1HN2      OMG  13  -4.964  -7.665   5.269
  144   2HN2  OMG  13          2HN2      OMG  13  -6.485  -7.049   5.876
  145   1H5*    G  14          1H5*        G  14 -10.210  -0.453   5.362
  146   2H5*    G  14          2H5*        G  14  -9.602   1.177   5.709
  147    H4*    G  14           H4*        G  14  -8.933  -0.419   7.417
  148    H3*    G  14           H3*        G  14  -6.739   0.847   5.797
  149    H2*    G  14           H2*        G  14  -5.129  -0.387   7.092
  150   2HO*    G  14          2HO*        G  14  -7.246  -1.420   8.686
  151    H1*    G  14           H1*        G  14  -6.568  -2.801   7.071
  152    H8     G  14           H8         G  14  -6.809  -1.029   3.751
  153    H1     G  14           H1         G  14  -1.545  -4.626   4.464
  154   1H2     G  14          1H2         G  14  -1.348  -5.287   6.544
  155   2H2     G  14          2H2         G  14  -2.510  -4.853   7.777
  156   1H5*    C  15          1H5*        C  15  -5.290   0.442   9.330
  157   2H5*    C  15          2H5*        C  15  -5.271   2.022  10.137
  158    H4*    C  15           H4*        C  15  -3.260   1.239  10.801
  159    H3*    C  15           H3*        C  15  -2.752   2.721   8.245
  160    H2*    C  15           H2*        C  15  -0.447   2.025   8.295
  161   2HO*    C  15          2HO*        C  15   0.489   1.284  10.118
  162    H1*    C  15           H1*        C  15  -0.952  -0.631   8.924
  163   1H4     C  15          1H4         C  15  -1.077  -0.798   2.598
  164   2H4     C  15          2H4         C  15  -2.596   0.063   2.558
  165    H5     C  15           H5         C  15  -3.685   0.910   4.548
  166    H6     C  15           H6         C  15  -3.530   1.109   6.975
  167   1H5*    U  16          1H5*        U  16   1.896   4.666   9.368
  168   2H5*    U  16          2H5*        U  16   0.837   4.291   7.995
  169    H4*    U  16           H4*        U  16   2.382   2.231   9.560
  170    H3*    U  16           H3*        U  16   3.276   3.835   7.204
  171    H2*    U  16           H2*        U  16   4.118   1.875   6.108
  172   2HO*    U  16          2HO*        U  16   3.973  -0.180   7.372
  173    H1*    U  16           H1*        U  16   1.983   0.190   6.741
  174    H3     U  16           H3         U  16   2.229   1.653   2.283
  175    H5     U  16           H5         U  16  -0.886   3.679   4.249
  176    H6     U  16           H6         U  16  -0.007   2.852   6.326
  177   1H5*    A  17          1H5*        A  17   6.310   4.448   6.591
  178   2H5*    A  17          2H5*        A  17   5.139   3.738   5.462
  179    H4*    A  17           H4*        A  17   8.072   3.049   5.543
  180    H3*    A  17           H3*        A  17   6.697   5.221   4.017
  181    H2*    A  17           H2*        A  17   7.914   4.637   2.020
  182   2HO*    A  17          2HO*        A  17   9.238   2.455   3.064
  183    H1*    A  17           H1*        A  17   7.482   1.904   2.200
  184    H8     A  17           H8         A  17   4.316   2.888   3.628
  185   1H6     A  17          1H6         A  17   2.332   4.502  -2.017
  186   2H6     A  17          2H6         A  17   1.852   4.174  -0.367
  187    H2     A  17           H2         A  17   6.781   3.965  -2.202
  188   1H5*    A  18          1H5*        A  18  10.752   5.087   3.001
  189   2H5*    A  18          2H5*        A  18  11.476   6.687   3.254
  190    H4*    A  18           H4*        A  18  12.153   5.756   1.127
  191    H3*    A  18           H3*        A  18  10.457   8.233   1.034
  192    H2*    A  18           H2*        A  18  10.563   8.178  -1.375
  193   2HO*    A  18          2HO*        A  18  12.779   6.652  -0.817
  194    H1*    A  18           H1*        A  18  10.030   5.451  -1.601
  195    H8     A  18           H8         A  18   8.177   7.097   1.294
  196   1H6     A  18          1H6         A  18   3.589   8.064  -2.751
  197   2H6     A  18          2H6         A  18   4.068   8.171  -1.072
  198    H2     A  18           H2         A  18   7.115   6.451  -5.004
  199    H1*  OMG  19           H1*      OMG  19  11.120  10.075  -4.811
  200    H2*  OMG  19           H2*      OMG  19  11.002  12.784  -4.078
  201    H3*  OMG  19           H3*      OMG  19  12.084  12.490  -1.947
  202    H4*  OMG  19           H4*      OMG  19  14.073  10.663  -3.269
  203   1HM2  OMG  19          1HM2      OMG  19  12.010  10.720  -6.712
  204   2HM2  OMG  19          2HM2      OMG  19  10.857  12.004  -6.357
  205   3HM2  OMG  19          3HM2      OMG  19  12.336  12.367  -7.244
  206   1H5*  OMG  19          1H5*      OMG  19  14.021   9.375  -1.226
  207   2H5*  OMG  19          2H5*      OMG  19  14.355  11.084  -0.883
  208    H8   OMG  19           H8       OMG  19  10.371  10.350  -1.145
  209    HN1  OMG  19           HN1      OMG  19   5.249  11.093  -4.933
  210   1HN2  OMG  19          1HN2      OMG  19   5.864  11.315  -7.020
  211   2HN2  OMG  19          2HN2      OMG  19   7.544  11.280  -7.506
  212   1H5*    A  20          1H5*        A  20  13.136  14.136  -5.856
  213   2H5*    A  20          2H5*        A  20  13.417  15.857  -5.531
  214    H4*    A  20           H4*        A  20  11.805  15.386  -7.365
  215    H3*    A  20           H3*        A  20  11.019  17.098  -5.030
  216    H2*    A  20           H2*        A  20   8.807  17.309  -5.903
  217   2HO*    A  20          2HO*        A  20  10.162  16.765  -8.264
  218    H1*    A  20           H1*        A  20   8.607  14.668  -6.921
  219    H8     A  20           H8         A  20  10.010  15.044  -3.396
  220   1H6     A  20          1H6         A  20   4.179  14.298  -1.449
  221   2H6     A  20          2H6         A  20   5.851  14.435  -0.953
  222    H2     A  20           H2         A  20   4.123  14.599  -5.921
  223    H3T    A  20           H3T        A  20  11.693  17.442  -7.724
  Start of MODEL   11
    1    HN1  PSU   1           HN1      PSU   1  -0.605  13.286  -0.601
    2    HN3  PSU   1           HN3      PSU   1   2.712  14.242  -2.774
    3    H6   PSU   1           H6       PSU   1  -2.003  13.529  -2.534
    4    H1*  PSU   1           H1*      PSU   1  -0.727  14.865  -5.723
    5    H2*  PSU   1           H2*      PSU   1  -0.966  12.098  -5.416
    6   *HO2  PSU   1          *HO2      PSU   1  -1.532  14.002  -7.242
    7    H3*  PSU   1           H3*      PSU   1  -2.939  12.151  -4.050
    8    H4*  PSU   1           H4*      PSU   1  -4.135  14.258  -5.811
    9   1H5*  PSU   1          1H5*      PSU   1  -4.388  15.210  -3.279
   10   2H5*  PSU   1          2H5*      PSU   1  -5.583  14.216  -4.133
   11    H5T  PSU   1           H5T      PSU   1  -5.134  13.282  -2.146
   12   1H5*    C   2          1H5*        C   2  -2.985  11.703  -8.686
   13   2H5*    C   2          2H5*        C   2  -3.257   9.969  -8.942
   14    H4*    C   2           H4*        C   2  -1.568  10.851 -10.450
   15    H3*    C   2           H3*        C   2  -0.794   8.720  -8.507
   16    H2*    C   2           H2*        C   2   1.509   8.860  -9.168
   17   2HO*    C   2          2HO*        C   2   1.095  10.856 -11.072
   18    H1*    C   2           H1*        C   2   1.674  11.635  -9.241
   19   1H4     C   2          1H4         C   2   3.335  10.536  -3.236
   20   2H4     C   2          2H4         C   2   1.714  10.022  -2.835
   21    H5     C   2           H5         C   2  -0.061   9.849  -4.466
   22    H6     C   2           H6         C   2  -0.635  10.094  -6.820
   23   1H5*    U   3          1H5*        U   3   1.063   7.401 -11.759
   24   2H5*    U   3          2H5*        U   3   0.219   5.993 -12.435
   25    H4*    U   3           H4*        U   3   2.347   5.237 -12.527
   26    H3*    U   3           H3*        U   3   1.264   4.376  -9.873
   27    H2*    U   3           H2*        U   3   3.422   3.551  -9.219
   28   2HO*    U   3          2HO*        U   3   4.922   4.172 -11.365
   29    H1*    U   3           H1*        U   3   4.899   5.710 -10.183
   30    H3     U   3           H3         U   3   5.159   6.738  -5.851
   31    H5     U   3           H5         U   3   1.064   7.165  -6.681
   32    H6     U   3           H6         U   3   1.500   6.312  -8.888
   33   1H5*    C   4          1H5*        C   4   4.150   1.784 -10.651
   34   2H5*    C   4          2H5*        C   4   3.473   0.143 -10.640
   35    H4*    C   4           H4*        C   4   5.413   0.376  -9.166
   36    H3*    C   4           H3*        C   4   2.775  -0.411  -7.981
   37    H2*    C   4           H2*        C   4   3.764  -0.445  -5.786
   38   2HO*    C   4          2HO*        C   4   6.245   0.322  -6.110
   39    H1*    C   4           H1*        C   4   5.175   1.945  -6.062
   40   1H4     C   4          1H4         C   4  -0.329   3.836  -3.555
   41   2H4     C   4          2H4         C   4  -1.114   3.723  -5.114
   42    H5     C   4           H5         C   4  -0.002   2.861  -7.087
   43    H6     C   4           H6         C   4   2.080   1.939  -7.960
   44    H1*  OMG   5           H1*      OMG   5   5.933  -1.160  -3.184
   45    H2*  OMG   5           H2*      OMG   5   5.727  -3.539  -1.782
   46    H3*  OMG   5           H3*      OMG   5   4.217  -4.621  -3.311
   47    H4*  OMG   5           H4*      OMG   5   5.871  -3.738  -5.641
   48   1HM2  OMG   5          1HM2      OMG   5   8.059  -1.469  -2.521
   49   2HM2  OMG   5          2HM2      OMG   5   9.103  -2.870  -2.296
   50   3HM2  OMG   5          3HM2      OMG   5   7.704  -2.636  -1.250
   51   1H5*  OMG   5          1H5*      OMG   5   3.425  -4.883  -5.524
   52   2H5*  OMG   5          2H5*      OMG   5   2.986  -3.168  -5.630
   53    H8   OMG   5           H8       OMG   5   2.494  -1.790  -3.992
   54    HN1  OMG   5           HN1      OMG   5   3.181  -0.596   2.274
   55   1HN2  OMG   5          1HN2      OMG   5   5.284  -0.748   2.856
   56   2HN2  OMG   5          2HN2      OMG   5   6.544  -1.148   1.710
   57    H1*  OMG   6           H1*      OMG   6   5.624  -3.698   2.760
   58    H2*  OMG   6           H2*      OMG   6   4.338  -6.222   2.851
   59    H3*  OMG   6           H3*      OMG   6   4.998  -6.884   0.640
   60    H4*  OMG   6           H4*      OMG   6   7.698  -5.655   1.160
   61   1HM2  OMG   6          1HM2      OMG   6   6.308  -5.701   5.624
   62   2HM2  OMG   6          2HM2      OMG   6   6.497  -4.207   4.709
   63   3HM2  OMG   6          3HM2      OMG   6   4.917  -4.981   4.815
   64   1H5*  OMG   6          1H5*      OMG   6   7.397  -4.848  -1.236
   65   2H5*  OMG   6          2H5*      OMG   6   7.677  -6.580  -0.969
   66    H8   OMG   6           H8       OMG   6   3.805  -4.401  -0.453
   67    HN1  OMG   6           HN1      OMG   6   0.098  -2.112   4.257
   68   1HN2  OMG   6          1HN2      OMG   6   1.187  -2.120   6.154
   69   2HN2  OMG   6          2HN2      OMG   6   2.835  -2.690   6.283
   70   1H5*    C   7          1H5*        C   7   6.109  -8.214   4.536
   71   2H5*    C   7          2H5*        C   7   5.840  -9.968   4.547
   72    H4*    C   7           H4*        C   7   4.735  -9.076   6.434
   73    H3*    C   7           H3*        C   7   2.836  -9.901   4.257
   74    H2*    C   7           H2*        C   7   0.996  -9.185   5.628
   75   2HO*    C   7          2HO*        C   7   2.155  -8.248   7.821
   76    H1*    C   7           H1*        C   7   2.244  -6.828   6.555
   77   1H4     C   7          1H4         C   7  -1.153  -4.576   1.733
   78   2H4     C   7          2H4         C   7  -0.116  -5.371   0.570
   79    H5     C   7           H5         C   7   1.693  -6.848   1.211
   80    H6     C   7           H6         C   7   2.880  -7.846   3.095
   81   1H5*    C   8          1H5*        C   8   1.539 -11.662   7.742
   82   2H5*    C   8          2H5*        C   8   1.385 -13.425   7.621
   83    H4*    C   8           H4*        C   8  -0.600 -12.796   8.599
   84    H3*    C   8           H3*        C   8  -0.984 -13.241   5.672
   85    H2*    C   8           H2*        C   8  -3.229 -12.421   5.761
   86   2HO*    C   8          2HO*        C   8  -2.904 -12.501   8.602
   87    H1*    C   8           H1*        C   8  -2.763 -10.279   7.497
   88   1H4     C   8          1H4         C   8  -2.204  -7.321   1.960
   89   2H4     C   8          2H4         C   8  -0.841  -8.311   1.488
   90    H5     C   8           H5         C   8   0.015 -10.111   2.869
   91    H6     C   8           H6         C   8  -0.292 -11.341   4.953
   92    HN1  PSU   9           HN1      PSU   9  -3.329 -10.052   1.957
   93    HN3  PSU   9           HN3      PSU   9  -6.774  -7.927   2.457
   94    H6   PSU   9           H6       PSU   9  -3.745 -11.296   3.958
   95    H1*  PSU   9           H1*      PSU   9  -5.731 -10.522   6.452
   96    H2*  PSU   9           H2*      PSU   9  -7.950 -11.194   4.844
   97   *HO2  PSU   9          *HO2      PSU   9  -8.395 -10.961   6.946
   98    H3*  PSU   9           H3*      PSU   9  -6.943 -13.211   3.987
   99    H4*  PSU   9           H4*      PSU   9  -5.974 -13.763   6.787
  100   1H5*  PSU   9          1H5*      PSU   9  -5.325 -15.551   5.484
  101   2H5*  PSU   9          2H5*      PSU   9  -5.013 -14.536   4.063
  102   1H5*    U  10          1H5*        U  10  -8.114 -11.874   2.689
  103   2H5*    U  10          2H5*        U  10  -9.796 -11.818   3.249
  104    H4*    U  10           H4*        U  10  -9.593 -11.322   0.868
  105    H3*    U  10           H3*        U  10 -11.619 -12.721   1.824
  106    H2*    U  10           H2*        U  10 -10.588 -14.911   1.781
  107   2HO*    U  10          2HO*        U  10 -11.874 -14.407  -0.711
  108    H1*    U  10           H1*        U  10  -9.505 -14.367  -1.027
  109    H3     U  10           H3         U  10  -7.679 -18.457  -0.755
  110    H5     U  10           H5         U  10  -6.210 -16.483   2.648
  111    H6     U  10           H6         U  10  -7.661 -14.639   2.110
  112   1H5*    U  11          1H5*        U  11 -15.324 -10.117   0.758
  113   2H5*    U  11          2H5*        U  11 -14.673  -9.974  -0.886
  114    H4*    U  11           H4*        U  11 -14.849  -7.790  -0.012
  115    H3*    U  11           H3*        U  11 -12.541  -8.453  -1.104
  116    H2*    U  11           H2*        U  11 -11.476  -9.407   0.848
  117   2HO*    U  11          2HO*        U  11 -10.920  -6.641   1.249
  118    H1*    U  11           H1*        U  11 -12.426  -7.064   2.564
  119    H3     U  11           H3         U  11 -11.350  -9.005   6.405
  120    H5     U  11           H5         U  11 -12.121 -12.303   3.922
  121    H6     U  11           H6         U  11 -12.621 -10.757   2.150
  122   1H5*    U  12          1H5*        U  12 -11.057  -5.616  -3.824
  123   2H5*    U  12          2H5*        U  12 -11.335  -6.837  -2.566
  124    H4*    U  12           H4*        U  12 -10.865  -4.373  -1.267
  125    H3*    U  12           H3*        U  12  -9.612  -3.841  -3.526
  126    H2*    U  12           H2*        U  12  -8.504  -5.987  -3.791
  127   2HO*    U  12          2HO*        U  12  -6.996  -3.922  -3.105
  128    H1*    U  12           H1*        U  12  -7.623  -5.868  -0.859
  129    H3     U  12           H3         U  12  -5.795  -9.650  -3.075
  130    H5     U  12           H5         U  12  -9.425 -10.658  -1.216
  131    H6     U  12           H6         U  12  -9.833  -8.307  -0.912
  132    H1*  OMG  13           H1*      OMG  13  -9.650  -4.897   4.577
  133    H2*  OMG  13           H2*      OMG  13  -8.546  -2.361   4.624
  134    H3*  OMG  13           H3*      OMG  13  -9.203  -1.768   2.380
  135    H4*  OMG  13           H4*      OMG  13 -11.977  -2.760   2.921
  136   1HM2  OMG  13          1HM2      OMG  13  -9.201  -3.667   6.593
  137   2HM2  OMG  13          2HM2      OMG  13 -10.790  -4.403   6.394
  138   3HM2  OMG  13          3HM2      OMG  13 -10.606  -2.954   7.380
  139   1H5*  OMG  13          1H5*      OMG  13 -11.760  -3.748   0.634
  140   2H5*  OMG  13          2H5*      OMG  13 -11.669  -1.978   0.720
  141    H8   OMG  13           H8       OMG  13  -8.292  -3.436   1.278
  142    HN1  OMG  13           HN1      OMG  13  -4.336  -7.304   4.515
  143   1HN2  OMG  13          1HN2      OMG  13  -5.203  -7.854   6.441
  144   2HN2  OMG  13          2HN2      OMG  13  -6.772  -7.277   6.954
  145   1H5*    G  14          1H5*        G  14 -10.205  -0.477   6.188
  146   2H5*    G  14          2H5*        G  14  -9.605   1.171   6.463
  147    H4*    G  14           H4*        G  14  -8.748  -0.390   8.119
  148    H3*    G  14           H3*        G  14  -6.714   0.868   6.287
  149    H2*    G  14           H2*        G  14  -5.001  -0.303   7.499
  150   2HO*    G  14          2HO*        G  14  -5.526  -1.405   9.450
  151    H1*    G  14           H1*        G  14  -6.464  -2.715   7.736
  152    H8     G  14           H8         G  14  -6.753  -1.142   4.313
  153    H1     G  14           H1         G  14  -1.592  -4.866   5.116
  154   1H2     G  14          1H2         G  14  -1.361  -5.408   7.224
  155   2H2     G  14          2H2         G  14  -2.476  -4.865   8.457
  156   1H5*    C  15          1H5*        C  15  -5.073   0.786   9.795
  157   2H5*    C  15          2H5*        C  15  -4.938   2.425  10.458
  158    H4*    C  15           H4*        C  15  -2.894   1.627  11.003
  159    H3*    C  15           H3*        C  15  -2.579   2.876   8.294
  160    H2*    C  15           H2*        C  15  -0.296   2.116   8.217
  161   2HO*    C  15          2HO*        C  15   0.561   1.017  10.122
  162    H1*    C  15           H1*        C  15  -0.808  -0.455   9.149
  163   1H4     C  15          1H4         C  15  -1.338  -1.249   2.893
  164   2H4     C  15          2H4         C  15  -2.814  -0.316   2.850
  165    H5     C  15           H5         C  15  -3.746   0.774   4.801
  166    H6     C  15           H6         C  15  -3.440   1.199   7.184
  167   1H5*    U  16          1H5*        U  16   1.783   4.701   9.525
  168   2H5*    U  16          2H5*        U  16   1.718   4.993   7.776
  169    H4*    U  16           H4*        U  16   2.645   2.664   9.278
  170    H3*    U  16           H3*        U  16   3.286   3.921   6.636
  171    H2*    U  16           H2*        U  16   4.006   1.802   5.766
  172   2HO*    U  16          2HO*        U  16   3.829   0.970   8.494
  173    H1*    U  16           H1*        U  16   1.921   0.286   6.844
  174    H3     U  16           H3         U  16   1.767   1.056   2.218
  175    H5     U  16           H5         U  16  -1.088   3.489   4.119
  176    H6     U  16           H6         U  16  -0.040   2.941   6.213
  177   1H5*    A  17          1H5*        A  17   5.231   3.522   5.184
  178   2H5*    A  17          2H5*        A  17   6.047   2.403   6.293
  179    H4*    A  17           H4*        A  17   8.185   2.913   5.286
  180    H3*    A  17           H3*        A  17   6.708   4.993   3.723
  181    H2*    A  17           H2*        A  17   7.987   4.457   1.752
  182   2HO*    A  17          2HO*        A  17   9.520   2.926   3.605
  183    H1*    A  17           H1*        A  17   7.704   1.708   1.960
  184    H8     A  17           H8         A  17   4.471   2.647   3.329
  185   1H6     A  17          1H6         A  17   2.516   3.927  -2.405
  186   2H6     A  17          2H6         A  17   2.025   3.666  -0.747
  187    H2     A  17           H2         A  17   6.978   3.496  -2.520
  188   1H5*    A  18          1H5*        A  18  10.491   4.998   2.742
  189   2H5*    A  18          2H5*        A  18  11.372   6.475   3.183
  190    H4*    A  18           H4*        A  18  12.149   5.869   1.059
  191    H3*    A  18           H3*        A  18  10.249   8.188   0.932
  192    H2*    A  18           H2*        A  18  10.490   8.226  -1.468
  193   2HO*    A  18          2HO*        A  18  12.558   6.324  -0.957
  194    H1*    A  18           H1*        A  18  10.182   5.484  -1.811
  195    H8     A  18           H8         A  18   8.126   6.928   1.069
  196   1H6     A  18          1H6         A  18   3.557   7.504  -3.074
  197   2H6     A  18          2H6         A  18   3.990   7.650  -1.384
  198    H2     A  18           H2         A  18   7.258   6.210  -5.252
  199    H1*  OMG  19           H1*      OMG  19  10.708  10.123  -4.760
  200    H2*  OMG  19           H2*      OMG  19  10.416  12.819  -4.039
  201    H3*  OMG  19           H3*      OMG  19  11.516  12.599  -1.906
  202    H4*  OMG  19           H4*      OMG  19  13.631  10.926  -3.238
  203   1HM2  OMG  19          1HM2      OMG  19  11.771  12.484  -7.205
  204   2HM2  OMG  19          2HM2      OMG  19  11.543  10.823  -6.667
  205   3HM2  OMG  19          3HM2      OMG  19  10.317  12.038  -6.313
  206   1H5*  OMG  19          1H5*      OMG  19  13.685   9.637  -1.198
  207   2H5*  OMG  19          2H5*      OMG  19  13.894  11.366  -0.854
  208    H8   OMG  19           H8       OMG  19   9.987  10.326  -1.089
  209    HN1  OMG  19           HN1      OMG  19   4.782  10.791  -4.810
  210   1HN2  OMG  19          1HN2      OMG  19   5.356  11.075  -6.896
  211   2HN2  OMG  19          2HN2      OMG  19   7.028  11.150  -7.405
  212   1H5*    A  20          1H5*        A  20  12.698  14.478  -5.567
  213   2H5*    A  20          2H5*        A  20  12.904  16.212  -5.252
  214    H4*    A  20           H4*        A  20  11.481  15.759  -7.193
  215    H3*    A  20           H3*        A  20  10.327  17.266  -4.872
  216    H2*    A  20           H2*        A  20   8.205  17.374  -5.984
  217   2HO*    A  20          2HO*        A  20   8.956  16.011  -8.269
  218    H1*    A  20           H1*        A  20   8.218  14.739  -6.934
  219    H8     A  20           H8         A  20   9.631  15.185  -3.419
  220   1H6     A  20          1H6         A  20   3.880  14.064  -1.418
  221   2H6     A  20          2H6         A  20   5.544  14.305  -0.939
  222    H2     A  20           H2         A  20   3.758  14.377  -5.887
  223    H3T    A  20           H3T        A  20  10.456  18.897  -6.399
  Start of MODEL   12
    1    HN1  PSU   1           HN1      PSU   1  -0.229  13.276   0.531
    2    HN3  PSU   1           HN3      PSU   1   2.783  13.692  -2.188
    3    H6   PSU   1           H6       PSU   1  -1.882  13.567  -1.182
    4    H1*  PSU   1           H1*      PSU   1  -1.033  14.642  -4.570
    5    H2*  PSU   1           H2*      PSU   1  -1.266  11.891  -4.285
    6   *HO2  PSU   1          *HO2      PSU   1  -3.001  13.664  -5.711
    7    H3*  PSU   1           H3*      PSU   1  -2.931  11.943  -2.550
    8    H4*  PSU   1           H4*      PSU   1  -4.472  14.032  -4.034
    9   1H5*  PSU   1          1H5*      PSU   1  -4.732  15.080  -1.814
   10   2H5*  PSU   1          2H5*      PSU   1  -5.358  13.424  -1.911
   11    H5T  PSU   1           H5T      PSU   1  -3.510  12.694  -0.869
   12   1H5*    C   2          1H5*        C   2  -3.493  11.659  -7.038
   13   2H5*    C   2          2H5*        C   2  -4.112  10.010  -7.259
   14    H4*    C   2           H4*        C   2  -2.596  10.505  -9.028
   15    H3*    C   2           H3*        C   2  -1.674   8.446  -7.068
   16    H2*    C   2           H2*        C   2   0.464   8.291  -8.156
   17   2HO*    C   2          2HO*        C   2  -0.586  10.065 -10.138
   18    H1*    C   2           H1*        C   2   0.875  11.019  -8.459
   19   1H4     C   2          1H4         C   2   3.448  10.037  -2.764
   20   2H4     C   2          2H4         C   2   1.874   9.779  -2.046
   21    H5     C   2           H5         C   2  -0.175   9.760  -3.333
   22    H6     C   2           H6         C   2  -1.127   9.955  -5.569
   23   1H5*    U   3          1H5*        U   3  -0.520   6.625 -10.789
   24   2H5*    U   3          2H5*        U   3  -1.658   5.267 -10.900
   25    H4*    U   3           H4*        U   3   0.322   4.275 -11.473
   26    H3*    U   3           H3*        U   3  -0.206   3.791  -8.573
   27    H2*    U   3           H2*        U   3   1.953   2.767  -8.292
   28   2HO*    U   3          2HO*        U   3   1.626   2.057 -10.772
   29    H1*    U   3           H1*        U   3   3.399   4.671  -9.690
   30    H3     U   3           H3         U   3   4.391   6.017  -5.539
   31    H5     U   3           H5         U   3   0.320   6.975  -5.921
   32    H6     U   3           H6         U   3   0.335   5.855  -8.052
   33   1H5*    C   4          1H5*        C   4   2.635   0.675  -9.161
   34   2H5*    C   4          2H5*        C   4   1.647  -0.720  -8.684
   35    H4*    C   4           H4*        C   4   3.680  -0.324  -7.292
   36    H3*    C   4           H3*        C   4   0.958  -0.424  -6.001
   37    H2*    C   4           H2*        C   4   2.017  -0.131  -3.863
   38   2HO*    C   4          2HO*        C   4   4.040  -0.738  -3.571
   39    H1*    C   4           H1*        C   4   3.747   1.893  -4.737
   40   1H4     C   4          1H4         C   4  -1.262   5.031  -2.430
   41   2H4     C   4          2H4         C   4  -2.114   4.810  -3.942
   42    H5     C   4           H5         C   4  -1.246   3.472  -5.761
   43    H6     C   4           H6         C   4   0.615   2.078  -6.499
   44    H1*  OMG   5           H1*      OMG   5   6.019  -1.500  -2.733
   45    H2*  OMG   5           H2*      OMG   5   5.956  -3.718  -1.070
   46    H3*  OMG   5           H3*      OMG   5   4.280  -4.930  -2.299
   47    H4*  OMG   5           H4*      OMG   5   5.658  -4.306  -4.880
   48   1HM2  OMG   5          1HM2      OMG   5   9.282  -3.144  -2.128
   49   2HM2  OMG   5          2HM2      OMG   5   8.126  -3.112  -0.799
   50   3HM2  OMG   5          3HM2      OMG   5   8.131  -1.816  -1.995
   51   1H5*  OMG   5          1H5*      OMG   5   3.421  -5.527  -4.672
   52   2H5*  OMG   5          2H5*      OMG   5   2.736  -3.930  -4.314
   53    H8   OMG   5           H8       OMG   5   2.501  -2.146  -3.051
   54    HN1  OMG   5           HN1      OMG   5   3.948  -0.263   2.906
   55   1HN2  OMG   5          1HN2      OMG   5   6.106  -0.409   3.252
   56   2HN2  OMG   5          2HN2      OMG   5   7.215  -0.968   2.019
   57    H1*  OMG   6           H1*      OMG   6   6.014  -3.554   3.331
   58    H2*  OMG   6           H2*      OMG   6   4.744  -6.007   3.791
   59    H3*  OMG   6           H3*      OMG   6   5.239  -6.948   1.634
   60    H4*  OMG   6           H4*      OMG   6   8.039  -5.881   1.834
   61   1HM2  OMG   6          1HM2      OMG   6   5.339  -5.142   5.767
   62   2HM2  OMG   6          2HM2      OMG   6   6.978  -5.364   6.373
   63   3HM2  OMG   6          3HM2      OMG   6   6.575  -3.934   5.427
   64   1H5*  OMG   6          1H5*      OMG   6   7.503  -5.213  -0.602
   65   2H5*  OMG   6          2H5*      OMG   6   7.810  -6.913  -0.201
   66    H8   OMG   6           H8       OMG   6   4.334  -4.645   0.163
   67    HN1  OMG   6           HN1      OMG   6   0.397  -1.863   4.395
   68   1HN2  OMG   6          1HN2      OMG   6   1.389  -1.636   6.330
   69   2HN2  OMG   6          2HN2      OMG   6   3.032  -2.170   6.604
   70   1H5*    C   7          1H5*        C   7   6.363  -8.260   5.525
   71   2H5*    C   7          2H5*        C   7   5.861  -9.958   5.644
   72    H4*    C   7           H4*        C   7   4.896  -8.735   7.452
   73    H3*    C   7           H3*        C   7   2.935  -9.660   5.376
   74    H2*    C   7           H2*        C   7   1.154  -8.623   6.614
   75   2HO*    C   7          2HO*        C   7   2.027  -7.514   8.697
   76    H1*    C   7           H1*        C   7   2.567  -6.269   7.228
   77   1H4     C   7          1H4         C   7  -0.573  -4.551   2.018
   78   2H4     C   7          2H4         C   7   0.521  -5.473   1.012
   79    H5     C   7           H5         C   7   2.265  -6.889   1.916
   80    H6     C   7           H6         C   7   3.328  -7.684   3.963
   81   1H5*    C   8          1H5*        C   8   1.381 -11.034   9.030
   82   2H5*    C   8          2H5*        C   8   1.110 -12.786   8.965
   83    H4*    C   8           H4*        C   8  -0.871 -11.937   9.809
   84    H3*    C   8           H3*        C   8  -1.118 -12.631   6.919
   85    H2*    C   8           H2*        C   8  -3.310 -11.671   6.788
   86   2HO*    C   8          2HO*        C   8  -4.424 -11.060   8.678
   87    H1*    C   8           H1*        C   8  -2.781  -9.370   8.251
   88   1H4     C   8          1H4         C   8  -1.486  -7.318   2.429
   89   2H4     C   8          2H4         C   8  -0.114  -8.394   2.283
   90    H5     C   8           H5         C   8   0.501  -9.979   4.014
   91    H6     C   8           H6         C   8  -0.100 -10.871   6.204
   92    HN1  PSU   9           HN1      PSU   9  -2.700  -9.986   2.662
   93    HN3  PSU   9           HN3      PSU   9  -6.095  -7.752   2.292
   94    H6   PSU   9           H6       PSU   9  -3.429 -10.836   4.774
   95    H1*  PSU   9           H1*      PSU   9  -5.650  -9.583   6.807
   96    H2*  PSU   9           H2*      PSU   9  -7.740 -10.378   5.123
   97   *HO2  PSU   9          *HO2      PSU   9  -7.887 -11.536   7.605
   98    H3*  PSU   9           H3*      PSU   9  -6.730 -12.512   4.598
   99    H4*  PSU   9           H4*      PSU   9  -6.155 -12.808   7.540
  100   1H5*  PSU   9          1H5*      PSU   9  -5.380 -14.734   6.611
  101   2H5*  PSU   9          2H5*      PSU   9  -5.000 -13.965   5.058
  102   1H5*    U  10          1H5*        U  10 -11.132 -14.437   3.236
  103   2H5*    U  10          2H5*        U  10  -9.876 -15.369   2.396
  104    H4*    U  10           H4*        U  10 -10.433 -12.429   2.326
  105    H3*    U  10           H3*        U  10 -11.238 -14.192   0.508
  106    H2*    U  10           H2*        U  10  -9.092 -15.226   0.071
  107   2HO*    U  10          2HO*        U  10  -9.576 -13.041  -1.663
  108    H1*    U  10           H1*        U  10  -7.805 -12.443   0.000
  109    H3     U  10           H3         U  10  -4.919 -16.186  -1.067
  110    H5     U  10           H5         U  10  -4.247 -14.657   2.786
  111    H6     U  10           H6         U  10  -6.308 -13.433   2.577
  112   1H5*    U  11          1H5*        U  11 -12.435  -9.595  -1.245
  113   2H5*    U  11          2H5*        U  11 -13.207 -10.241  -2.706
  114    H4*    U  11           H4*        U  11 -12.436  -8.230  -3.460
  115    H3*    U  11           H3*        U  11 -11.270 -10.204  -4.747
  116    H2*    U  11           H2*        U  11  -9.422 -10.614  -3.254
  117   2HO*    U  11          2HO*        U  11  -8.792  -8.836  -5.322
  118    H1*    U  11           H1*        U  11  -8.846  -7.637  -2.965
  119    H3     U  11           H3         U  11  -5.810  -8.821   0.099
  120    H5     U  11           H5         U  11  -9.281 -10.832   1.345
  121    H6     U  11           H6         U  11 -10.366 -10.034  -0.643
  122   1H5*    U  12          1H5*        U  12 -12.334  -4.719  -6.514
  123   2H5*    U  12          2H5*        U  12 -10.741  -5.444  -6.219
  124    H4*    U  12           H4*        U  12 -11.141  -3.236  -5.117
  125    H3*    U  12           H3*        U  12  -9.527  -5.105  -4.176
  126    H2*    U  12           H2*        U  12 -11.203  -6.429  -3.025
  127   2HO*    U  12          2HO*        U  12  -9.829  -6.096  -1.351
  128    H1*    U  12           H1*        U  12 -12.376  -3.857  -1.839
  129    H3     U  12           H3         U  12 -16.752  -5.695  -2.630
  130    H5     U  12           H5         U  12 -14.223  -8.434  -0.698
  131    H6     U  12           H6         U  12 -12.372  -6.994  -1.242
  132    H1*  OMG  13           H1*      OMG  13  -9.180  -4.604   3.695
  133    H2*  OMG  13           H2*      OMG  13  -8.050  -2.090   3.546
  134    H3*  OMG  13           H3*      OMG  13  -8.416  -1.793   1.180
  135    H4*  OMG  13           H4*      OMG  13 -11.257  -2.689   1.493
  136   1HM2  OMG  13          1HM2      OMG  13 -10.442  -2.308   6.079
  137   2HM2  OMG  13          2HM2      OMG  13  -8.963  -3.119   5.570
  138   3HM2  OMG  13          3HM2      OMG  13 -10.528  -3.874   5.276
  139   1H5*  OMG  13          1H5*      OMG  13 -10.594  -4.085  -0.578
  140   2H5*  OMG  13          2H5*      OMG  13 -10.837  -2.334  -0.730
  141    H8   OMG  13           H8       OMG  13  -7.452  -3.623   0.396
  142    HN1  OMG  13           HN1      OMG  13  -3.907  -6.935   4.588
  143   1HN2  OMG  13          1HN2      OMG  13  -4.989  -7.198   6.467
  144   2HN2  OMG  13          2HN2      OMG  13  -6.602  -6.563   6.711
  145   1H5*    G  14          1H5*        G  14  -9.887   0.044   4.611
  146   2H5*    G  14          2H5*        G  14  -9.276   1.705   4.741
  147    H4*    G  14           H4*        G  14  -8.705   0.365   6.694
  148    H3*    G  14           H3*        G  14  -6.408   1.364   5.021
  149    H2*    G  14           H2*        G  14  -4.904   0.347   6.599
  150   2HO*    G  14          2HO*        G  14  -5.686  -0.463   8.582
  151    H1*    G  14           H1*        G  14  -6.419  -2.015   6.906
  152    H8     G  14           H8         G  14  -6.267  -0.856   3.315
  153    H1     G  14           H1         G  14  -1.263  -4.406   5.188
  154   1H2     G  14          1H2         G  14  -1.293  -4.686   7.352
  155   2H2     G  14          2H2         G  14  -2.550  -4.016   8.368
  156   1H5*    C  15          1H5*        C  15  -5.277   1.513   8.731
  157   2H5*    C  15          2H5*        C  15  -5.289   3.204   9.265
  158    H4*    C  15           H4*        C  15  -3.383   2.511  10.260
  159    H3*    C  15           H3*        C  15  -2.577   3.560   7.573
  160    H2*    C  15           H2*        C  15  -0.315   2.824   7.942
  161   2HO*    C  15          2HO*        C  15  -1.179   2.136  10.580
  162    H1*    C  15           H1*        C  15  -0.958   0.314   8.927
  163   1H4     C  15          1H4         C  15  -0.590  -0.894   2.730
  164   2H4     C  15          2H4         C  15  -2.050   0.011   2.414
  165    H5     C  15           H5         C  15  -3.250   1.218   4.136
  166    H6     C  15           H6         C  15  -3.286   1.804   6.503
  167   1H5*    U  16          1H5*        U  16   2.118   5.469   9.292
  168   2H5*    U  16          2H5*        U  16   1.273   5.218   7.752
  169    H4*    U  16           H4*        U  16   2.366   3.050   9.543
  170    H3*    U  16           H3*        U  16   3.572   4.368   7.136
  171    H2*    U  16           H2*        U  16   4.307   2.240   6.314
  172   2HO*    U  16          2HO*        U  16   4.873   0.767   7.736
  173    H1*    U  16           H1*        U  16   1.981   0.815   7.004
  174    H3     U  16           H3         U  16   2.757   1.506   2.420
  175    H5     U  16           H5         U  16  -0.309   4.070   3.721
  176    H6     U  16           H6         U  16   0.305   3.527   5.980
  177   1H5*    A  17          1H5*        A  17   6.658   4.788   6.643
  178   2H5*    A  17          2H5*        A  17   5.355   4.140   5.628
  179    H4*    A  17           H4*        A  17   8.219   3.199   5.583
  180    H3*    A  17           H3*        A  17   6.894   5.333   3.958
  181    H2*    A  17           H2*        A  17   7.932   4.494   1.954
  182   2HO*    A  17          2HO*        A  17   9.407   2.890   3.797
  183    H1*    A  17           H1*        A  17   7.360   1.820   2.417
  184    H8     A  17           H8         A  17   4.362   3.264   3.887
  185   1H6     A  17          1H6         A  17   2.167   4.262  -1.817
  186   2H6     A  17          2H6         A  17   1.768   4.213  -0.115
  187    H2     A  17           H2         A  17   6.525   3.265  -2.159
  188   1H5*    A  18          1H5*        A  18  10.915   4.763   2.683
  189   2H5*    A  18          2H5*        A  18  11.701   6.353   2.630
  190    H4*    A  18           H4*        A  18  12.102   5.074   0.600
  191    H3*    A  18           H3*        A  18  10.577   7.647   0.349
  192    H2*    A  18           H2*        A  18  10.393   7.282  -2.025
  193   2HO*    A  18          2HO*        A  18  12.645   5.951  -1.658
  194    H1*    A  18           H1*        A  18   9.674   4.596  -1.835
  195    H8     A  18           H8         A  18   8.279   6.770   0.976
  196   1H6     A  18          1H6         A  18   3.295   7.472  -2.630
  197   2H6     A  18          2H6         A  18   3.983   7.793  -1.054
  198    H2     A  18           H2         A  18   6.417   5.270  -4.981
  199    H1*  OMG  19           H1*      OMG  19  10.419   8.938  -5.501
  200    H2*  OMG  19           H2*      OMG  19  10.522  11.687  -4.985
  201    H3*  OMG  19           H3*      OMG  19  11.950  11.518  -3.055
  202    H4*  OMG  19           H4*      OMG  19  13.654   9.525  -4.518
  203   1HM2  OMG  19          1HM2      OMG  19  11.273  10.975  -8.288
  204   2HM2  OMG  19          2HM2      OMG  19  10.994   9.390  -7.571
  205   3HM2  OMG  19          3HM2      OMG  19   9.961  10.749  -7.132
  206   1H5*  OMG  19          1H5*      OMG  19  13.872   8.392  -2.397
  207   2H5*  OMG  19          2H5*      OMG  19  14.297  10.107  -2.242
  208    H8   OMG  19           H8       OMG  19  10.411   9.462  -1.791
  209    HN1  OMG  19           HN1      OMG  19   4.675  10.235  -4.554
  210   1HN2  OMG  19          1HN2      OMG  19   4.877  10.307  -6.731
  211   2HN2  OMG  19          2HN2      OMG  19   6.427  10.164  -7.530
  212   1H5*    A  20          1H5*        A  20  12.005  12.747  -7.213
  213   2H5*    A  20          2H5*        A  20  12.464  14.457  -7.097
  214    H4*    A  20           H4*        A  20  10.387  14.031  -8.386
  215    H3*    A  20           H3*        A  20  10.368  15.881  -6.023
  216    H2*    A  20           H2*        A  20   8.017  16.182  -6.237
  217   2HO*    A  20          2HO*        A  20   7.878  14.798  -8.680
  218    H1*    A  20           H1*        A  20   7.433  13.545  -7.185
  219    H8     A  20           H8         A  20   9.538  13.850  -4.025
  220   1H6     A  20          1H6         A  20   4.190  13.453  -0.928
  221   2H6     A  20          2H6         A  20   5.934  13.490  -0.783
  222    H2     A  20           H2         A  20   3.245  13.764  -5.298
  223    H3T    A  20           H3T        A  20  10.281  16.074  -8.815
  Start of MODEL   13
    1    HN1  PSU   1           HN1      PSU   1   1.496  15.381   1.827
    2    HN3  PSU   1           HN3      PSU   1   4.469  15.880  -0.920
    3    H6   PSU   1           H6       PSU   1  -0.176  15.870   0.181
    4    H1*  PSU   1           H1*      PSU   1   0.640  17.203  -3.115
    5    H2*  PSU   1           H2*      PSU   1   0.349  14.446  -3.096
    6   *HO2  PSU   1          *HO2      PSU   1  -0.994  16.569  -4.377
    7    H3*  PSU   1           H3*      PSU   1  -1.287  14.352  -1.339
    8    H4*  PSU   1           H4*      PSU   1  -2.809  16.617  -2.558
    9   1H5*  PSU   1          1H5*      PSU   1  -3.024  17.431  -0.256
   10   2H5*  PSU   1          2H5*      PSU   1  -3.625  15.777  -0.470
   11    H5T  PSU   1           H5T      PSU   1  -2.378  15.717   1.329
   12   1H5*    C   2          1H5*        C   2  -1.951  14.563  -5.820
   13   2H5*    C   2          2H5*        C   2  -2.625  12.966  -6.197
   14    H4*    C   2           H4*        C   2  -1.134  13.635  -7.944
   15    H3*    C   2           H3*        C   2  -0.309  11.292  -6.294
   16    H2*    C   2           H2*        C   2   1.826  11.169  -7.389
   17   2HO*    C   2          2HO*        C   2   1.858  13.192  -9.071
   18    H1*    C   2           H1*        C   2   2.402  13.875  -7.316
   19   1H4     C   2          1H4         C   2   4.739  12.038  -1.732
   20   2H4     C   2          2H4         C   2   3.131  11.817  -1.081
   21    H5     C   2           H5         C   2   1.124  12.093  -2.405
   22    H6     C   2           H6         C   2   0.253  12.606  -4.623
   23   1H5*    U   3          1H5*        U   3   1.143  10.364  -9.834
   24   2H5*    U   3          2H5*        U   3  -0.030   9.282 -10.607
   25    H4*    U   3           H4*        U   3   1.886   8.298 -11.285
   26    H3*    U   3           H3*        U   3   1.055   6.967  -8.756
   27    H2*    U   3           H2*        U   3   3.134   5.791  -8.560
   28   2HO*    U   3          2HO*        U   3   4.692   6.233 -10.426
   29    H1*    U   3           H1*        U   3   4.811   7.890  -9.206
   30    H3     U   3           H3         U   3   5.441   8.028  -4.792
   31    H5     U   3           H5         U   3   1.419   9.160  -5.208
   32    H6     U   3           H6         U   3   1.613   8.702  -7.562
   33   1H5*    C   4          1H5*        C   4   3.686   3.919 -10.767
   34   2H5*    C   4          2H5*        C   4   2.728   2.471 -10.402
   35    H4*    C   4           H4*        C   4   5.127   2.826  -9.400
   36    H3*    C   4           H3*        C   4   2.765   1.494  -8.146
   37    H2*    C   4           H2*        C   4   3.909   1.325  -6.039
   38   2HO*    C   4          2HO*        C   4   6.048   1.256  -7.586
   39    H1*    C   4           H1*        C   4   4.908   3.908  -6.004
   40   1H4     C   4          1H4         C   4  -0.781   4.399  -3.210
   41   2H4     C   4          2H4         C   4  -1.508   4.738  -4.765
   42    H5     C   4           H5         C   4  -0.279   4.614  -6.849
   43    H6     C   4           H6         C   4   1.886   4.124  -7.860
   44    H1*  OMG   5           H1*      OMG   5   7.149  -0.615  -3.268
   45    H2*  OMG   5           H2*      OMG   5   6.410  -3.166  -2.539
   46    H3*  OMG   5           H3*      OMG   5   5.400  -3.765  -4.643
   47    H4*  OMG   5           H4*      OMG   5   7.762  -2.727  -6.148
   48   1HM2  OMG   5          1HM2      OMG   5   9.846  -2.080  -2.130
   49   2HM2  OMG   5          2HM2      OMG   5   8.843  -3.314  -1.372
   50   3HM2  OMG   5          3HM2      OMG   5   8.213  -1.685  -1.598
   51   1H5*  OMG   5          1H5*      OMG   5   6.292  -3.084  -7.779
   52   2H5*  OMG   5          2H5*      OMG   5   4.908  -3.061  -6.668
   53    H8   OMG   5           H8       OMG   5   4.206  -0.730  -5.324
   54    HN1  OMG   5           HN1      OMG   5   2.653  -0.733   0.899
   55   1HN2  OMG   5          1HN2      OMG   5   4.408  -1.183   2.125
   56   2HN2  OMG   5          2HN2      OMG   5   5.982  -1.490   1.426
   57    H1*  OMG   6           H1*      OMG   6   5.779  -3.410   1.072
   58    H2*  OMG   6           H2*      OMG   6   4.380  -5.804   1.557
   59    H3*  OMG   6           H3*      OMG   6   5.179  -6.933  -0.410
   60    H4*  OMG   6           H4*      OMG   6   7.912  -5.797   0.135
   61   1HM2  OMG   6          1HM2      OMG   6   4.718  -4.614   3.461
   62   2HM2  OMG   6          2HM2      OMG   6   6.197  -4.915   4.372
   63   3HM2  OMG   6          3HM2      OMG   6   6.116  -3.567   3.239
   64   1H5*  OMG   6          1H5*      OMG   6   8.304  -5.812  -2.159
   65   2H5*  OMG   6          2H5*      OMG   6   7.440  -7.327  -1.835
   66    H8   OMG   6           H8       OMG   6   4.555  -4.313  -2.253
   67    HN1  OMG   6           HN1      OMG   6  -0.137  -2.211   1.586
   68   1HN2  OMG   6          1HN2      OMG   6   0.542  -2.156   3.663
   69   2HN2  OMG   6          2HN2      OMG   6   2.156  -2.642   4.131
   70   1H5*    C   7          1H5*        C   7   6.091  -8.441   3.612
   71   2H5*    C   7          2H5*        C   7   5.403 -10.071   3.736
   72    H4*    C   7           H4*        C   7   4.568  -8.585   5.479
   73    H3*    C   7           H3*        C   7   2.576  -9.694   3.523
   74    H2*    C   7           H2*        C   7   0.827  -8.481   4.644
   75   2HO*    C   7          2HO*        C   7   2.807  -7.828   6.607
   76    H1*    C   7           H1*        C   7   2.273  -6.106   4.955
   77   1H4     C   7          1H4         C   7  -1.072  -5.386  -0.395
   78   2H4     C   7          2H4         C   7   0.206  -6.159  -1.308
   79    H5     C   7           H5         C   7   2.148  -7.160  -0.258
   80    H6     C   7           H6         C   7   3.236  -7.642   1.872
   81   1H5*    C   8          1H5*        C   8   1.441  -9.874   7.367
   82   2H5*    C   8          2H5*        C   8   1.157 -11.501   8.017
   83    H4*    C   8           H4*        C   8  -0.457 -10.043   8.956
   84    H3*    C   8           H3*        C   8  -1.502 -12.048   7.016
   85    H2*    C   8           H2*        C   8  -3.697 -11.081   7.046
   86   2HO*    C   8          2HO*        C   8  -2.816  -9.254   9.046
   87    H1*    C   8           H1*        C   8  -2.922  -8.431   6.882
   88   1H4     C   8          1H4         C   8  -3.488 -10.184   0.807
   89   2H4     C   8          2H4         C   8  -1.811 -10.682   0.794
   90    H5     C   8           H5         C   8  -0.434 -10.717   2.786
   91    H6     C   8           H6         C   8  -0.375 -10.239   5.178
   92    HN1  PSU   9           HN1      PSU   9  -3.416 -12.591   3.614
   93    HN3  PSU   9           HN3      PSU   9  -6.712 -11.553   1.449
   94    H6   PSU   9           H6       PSU   9  -4.710 -12.701   5.628
   95    H1*  PSU   9           H1*      PSU   9  -8.304 -11.774   5.707
   96    H2*  PSU   9           H2*      PSU   9  -7.309 -14.416   5.675
   97   *HO2  PSU   9          *HO2      PSU   9  -8.765 -13.882   7.906
   98    H3*  PSU   9           H3*      PSU   9  -5.502 -14.001   7.200
   99    H4*  PSU   9           H4*      PSU   9  -7.341 -12.267   8.829
  100   1H5*  PSU   9          1H5*      PSU   9  -5.133 -10.801   8.690
  101   2H5*  PSU   9          2H5*      PSU   9  -5.359 -12.097   9.879
  102   1H5*    U  10          1H5*        U  10  -9.303 -17.401   6.441
  103   2H5*    U  10          2H5*        U  10  -9.031 -15.783   5.763
  104    H4*    U  10           H4*        U  10 -11.457 -16.945   6.148
  105    H3*    U  10           H3*        U  10 -10.768 -14.676   4.941
  106    H2*    U  10           H2*        U  10 -10.354 -13.352   6.927
  107   2HO*    U  10          2HO*        U  10 -13.034 -12.819   7.150
  108    H1*    U  10           H1*        U  10 -12.911 -14.498   8.174
  109    H3     U  10           H3         U  10 -11.949 -11.731  11.608
  110    H5     U  10           H5         U  10  -8.602 -14.254  11.335
  111    H6     U  10           H6         U  10  -9.534 -15.142   9.301
  112   1H5*    U  11          1H5*        U  11 -13.191 -12.637   4.280
  113   2H5*    U  11          2H5*        U  11 -14.645 -13.277   3.490
  114    H4*    U  11           H4*        U  11 -14.332 -12.071   1.589
  115    H3*    U  11           H3*        U  11 -11.849 -12.863   1.300
  116    H2*    U  11           H2*        U  11 -10.771 -11.735   3.098
  117   2HO*    U  11          2HO*        U  11 -10.404 -10.621   0.757
  118    H1*    U  11           H1*        U  11 -12.241  -9.125   2.751
  119    H3     U  11           H3         U  11 -13.532  -9.765   7.417
  120    H5     U  11           H5         U  11  -9.412 -10.185   6.726
  121    H6     U  11           H6         U  11  -9.886 -10.240   4.375
  122   1H5*    U  12          1H5*        U  12 -12.683 -10.597  -2.944
  123   2H5*    U  12          2H5*        U  12 -11.478 -10.469  -1.646
  124    H4*    U  12           H4*        U  12 -12.241  -7.908  -2.842
  125    H3*    U  12           H3*        U  12 -12.106  -9.579  -4.864
  126    H2*    U  12           H2*        U  12 -10.116 -10.793  -4.450
  127   2HO*    U  12          2HO*        U  12  -8.956 -10.017  -6.045
  128    H1*    U  12           H1*        U  12  -8.477  -8.579  -3.293
  129    H3     U  12           H3         U  12  -7.137 -13.124  -2.574
  130    H5     U  12           H5         U  12  -8.834 -11.442   0.880
  131    H6     U  12           H6         U  12  -9.627  -9.626  -0.488
  132    H1*  OMG  13           H1*      OMG  13 -10.515  -6.695   1.282
  133    H2*  OMG  13           H2*      OMG  13  -9.094  -4.355   0.884
  134    H3*  OMG  13           H3*      OMG  13  -9.541  -4.213  -1.487
  135    H4*  OMG  13           H4*      OMG  13 -12.450  -4.717  -0.952
  136   1HM2  OMG  13          1HM2      OMG  13 -11.360  -4.070   3.519
  137   2HM2  OMG  13          2HM2      OMG  13 -10.005  -5.081   3.022
  138   3HM2  OMG  13          3HM2      OMG  13 -11.655  -5.679   2.864
  139   1H5*  OMG  13          1H5*      OMG  13 -12.575  -5.779  -3.004
  140   2H5*  OMG  13          2H5*      OMG  13 -11.438  -4.448  -3.285
  141    H8   OMG  13           H8       OMG  13  -9.138  -6.789  -2.213
  142    HN1  OMG  13           HN1      OMG  13  -4.966  -8.514   2.334
  143   1HN2  OMG  13          1HN2      OMG  13  -5.746  -8.034   4.316
  144   2HN2  OMG  13          2HN2      OMG  13  -7.311  -7.286   4.543
  145   1H5*    G  14          1H5*        G  14 -10.870  -1.979   1.578
  146   2H5*    G  14          2H5*        G  14 -10.336  -0.289   1.670
  147    H4*    G  14           H4*        G  14  -9.911  -1.494   3.743
  148    H3*    G  14           H3*        G  14  -7.546  -0.425   2.235
  149    H2*    G  14           H2*        G  14  -6.081  -1.345   3.909
  150   2HO*    G  14          2HO*        G  14  -8.293  -2.304   5.393
  151    H1*    G  14           H1*        G  14  -7.380  -3.813   4.099
  152    H8     G  14           H8         G  14  -7.537  -2.850   0.515
  153    H1     G  14           H1         G  14  -1.828  -5.186   2.272
  154   1H2     G  14          1H2         G  14  -1.690  -5.307   4.455
  155   2H2     G  14          2H2         G  14  -3.002  -4.817   5.503
  156   1H5*    C  15          1H5*        C  15  -6.673  -0.143   5.992
  157   2H5*    C  15          2H5*        C  15  -6.920   1.535   6.512
  158    H4*    C  15           H4*        C  15  -5.059   1.032   7.696
  159    H3*    C  15           H3*        C  15  -4.139   2.234   5.117
  160    H2*    C  15           H2*        C  15  -1.843   1.737   5.662
  161   2HO*    C  15          2HO*        C  15  -2.164   0.377   7.975
  162    H1*    C  15           H1*        C  15  -2.267  -0.874   6.421
  163   1H4     C  15          1H4         C  15  -1.613  -1.525   0.149
  164   2H4     C  15          2H4         C  15  -3.203  -0.849  -0.123
  165    H5     C  15           H5         C  15  -4.596   0.015   1.653
  166    H6     C  15           H6         C  15  -4.749   0.409   4.055
  167   1H5*    U  16          1H5*        U  16  -0.456   4.482   7.254
  168   2H5*    U  16          2H5*        U  16  -0.058   4.707   5.540
  169    H4*    U  16           H4*        U  16   0.484   2.462   7.341
  170    H3*    U  16           H3*        U  16   1.830   3.692   4.969
  171    H2*    U  16           H2*        U  16   2.841   1.584   4.408
  172   2HO*    U  16          2HO*        U  16   3.066   0.005   5.872
  173    H1*    U  16           H1*        U  16   0.560   0.036   4.779
  174    H3     U  16           H3         U  16   1.932   1.277   0.378
  175    H5     U  16           H5         U  16  -1.810   2.938   1.328
  176    H6     U  16           H6         U  16  -1.403   2.342   3.619
  177   1H5*    A  17          1H5*        A  17   6.334   2.952   6.984
  178   2H5*    A  17          2H5*        A  17   6.561   4.645   6.506
  179    H4*    A  17           H4*        A  17   8.111   2.800   5.549
  180    H3*    A  17           H3*        A  17   6.971   5.123   4.033
  181    H2*    A  17           H2*        A  17   7.957   4.287   2.005
  182   2HO*    A  17          2HO*        A  17   9.567   2.985   3.839
  183    H1*    A  17           H1*        A  17   7.254   1.614   2.413
  184    H8     A  17           H8         A  17   4.239   3.194   3.663
  185   1H6     A  17          1H6         A  17   2.545   4.384  -2.174
  186   2H6     A  17          2H6         A  17   2.012   4.324  -0.510
  187    H2     A  17           H2         A  17   6.873   3.205  -2.192
  188   1H5*    A  18          1H5*        A  18  11.787   5.382   3.474
  189   2H5*    A  18          2H5*        A  18  11.865   7.154   3.526
  190    H4*    A  18           H4*        A  18  13.063   5.983   1.622
  191    H3*    A  18           H3*        A  18  11.256   8.337   1.295
  192    H2*    A  18           H2*        A  18  11.396   8.193  -1.102
  193   2HO*    A  18          2HO*        A  18  13.759   7.153  -0.573
  194    H1*    A  18           H1*        A  18  11.013   5.460  -1.286
  195    H8     A  18           H8         A  18   9.021   6.587   1.682
  196   1H6     A  18          1H6         A  18   4.488   8.016  -2.286
  197   2H6     A  18          2H6         A  18   4.909   7.816  -0.601
  198    H2     A  18           H2         A  18   8.192   7.143  -4.659
  199    H1*  OMG  19           H1*      OMG  19  11.491  10.034  -4.414
  200    H2*  OMG  19           H2*      OMG  19  11.875  12.747  -3.921
  201    H3*  OMG  19           H3*      OMG  19  13.160  12.481  -1.908
  202    H4*  OMG  19           H4*      OMG  19  14.780  10.305  -3.167
  203   1HM2  OMG  19          1HM2      OMG  19  11.368  11.930  -6.095
  204   2HM2  OMG  19          2HM2      OMG  19  12.769  11.933  -7.164
  205   3HM2  OMG  19          3HM2      OMG  19  12.205  10.423  -6.453
  206   1H5*  OMG  19          1H5*      OMG  19  14.623   9.186  -1.028
  207   2H5*  OMG  19          2H5*      OMG  19  15.189  10.856  -0.835
  208    H8   OMG  19           H8       OMG  19  11.423  10.371  -0.715
  209    HN1  OMG  19           HN1      OMG  19   5.950  12.163  -3.542
  210   1HN2  OMG  19          1HN2      OMG  19   6.231  12.355  -5.705
  211   2HN2  OMG  19          2HN2      OMG  19   7.770  12.042  -6.478
  212   1H5*    A  20          1H5*        A  20  13.417  13.716  -5.997
  213   2H5*    A  20          2H5*        A  20  14.123  15.337  -5.848
  214    H4*    A  20           H4*        A  20  12.025  15.292  -7.138
  215    H3*    A  20           H3*        A  20  12.222  16.981  -4.671
  216    H2*    A  20           H2*        A  20   9.932  17.609  -4.868
  217   2HO*    A  20          2HO*        A  20  10.358  16.803  -7.545
  218    H1*    A  20           H1*        A  20   8.992  15.124  -5.904
  219    H8     A  20           H8         A  20  11.222  14.991  -2.816
  220   1H6     A  20          1H6         A  20   5.959  15.080   0.451
  221   2H6     A  20          2H6         A  20   7.695  14.877   0.533
  222    H2     A  20           H2         A  20   4.939  15.805  -3.855
  223    H3T    A  20           H3T        A  20  12.761  17.150  -7.262
  Start of MODEL   14
    1    HN1  PSU   1           HN1      PSU   1   0.802  14.263   0.360
    2    HN3  PSU   1           HN3      PSU   1   3.847  15.036  -2.243
    3    H6   PSU   1           H6       PSU   1  -0.820  14.500  -1.389
    4    H1*  PSU   1           H1*      PSU   1   0.062  15.753  -4.727
    5    H2*  PSU   1           H2*      PSU   1  -0.110  12.987  -4.430
    6   *HO2  PSU   1          *HO2      PSU   1  -1.261  14.936  -6.054
    7    H3*  PSU   1           H3*      PSU   1  -1.867  13.007  -2.790
    8    H4*  PSU   1           H4*      PSU   1  -3.341  15.088  -4.360
    9   1H5*  PSU   1          1H5*      PSU   1  -3.790  16.106  -2.169
   10   2H5*  PSU   1          2H5*      PSU   1  -4.352  14.429  -2.298
   11    H5T  PSU   1           H5T      PSU   1  -2.442  13.791  -1.202
   12   1H5*    C   2          1H5*        C   2  -2.589  12.574  -7.362
   13   2H5*    C   2          2H5*        C   2  -2.935  10.846  -7.568
   14    H4*    C   2           H4*        C   2  -1.513  11.698  -9.344
   15    H3*    C   2           H3*        C   2  -0.499   9.528  -7.575
   16    H2*    C   2           H2*        C   2   1.701   9.634  -8.525
   17   2HO*    C   2          2HO*        C   2   1.936  11.269 -10.338
   18    H1*    C   2           H1*        C   2   1.945  12.392  -8.571
   19   1H4     C   2          1H4         C   2   4.161  11.176  -2.775
   20   2H4     C   2          2H4         C   2   2.569  10.728  -2.208
   21    H5     C   2           H5         C   2   0.632  10.639  -3.651
   22    H6     C   2           H6         C   2  -0.167  10.920  -5.935
   23   1H5*    U   3          1H5*        U   3   0.900   8.318 -11.225
   24   2H5*    U   3          2H5*        U   3  -0.130   6.978 -11.764
   25    H4*    U   3           H4*        U   3   1.896   6.143 -12.320
   26    H3*    U   3           H3*        U   3   1.283   5.181  -9.565
   27    H2*    U   3           H2*        U   3   3.496   4.299  -9.288
   28   2HO*    U   3          2HO*        U   3   4.814   4.829 -11.461
   29    H1*    U   3           H1*        U   3   4.874   6.449 -10.372
   30    H3     U   3           H3         U   3   5.701   7.376  -6.087
   31    H5     U   3           H5         U   3   1.551   7.937  -6.392
   32    H6     U   3           H6         U   3   1.682   7.114  -8.648
   33   1H5*    C   4          1H5*        C   4   4.143   2.674 -11.014
   34   2H5*    C   4          2H5*        C   4   3.530   1.016 -10.856
   35    H4*    C   4           H4*        C   4   5.730   1.510  -9.741
   36    H3*    C   4           H3*        C   4   3.445   0.171  -8.361
   37    H2*    C   4           H2*        C   4   4.623   0.191  -6.264
   38   2HO*    C   4          2HO*        C   4   6.865   1.358  -6.554
   39    H1*    C   4           H1*        C   4   5.498   2.813  -6.410
   40   1H4     C   4          1H4         C   4  -0.186   3.324  -3.631
   41   2H4     C   4          2H4         C   4  -0.963   3.365  -5.197
   42    H5     C   4           H5         C   4   0.242   3.026  -7.272
   43    H6     C   4           H6         C   4   2.427   2.581  -8.258
   44    H1*  OMG   5           H1*      OMG   5   6.884  -1.049  -2.547
   45    H2*  OMG   5           H2*      OMG   5   6.140  -3.526  -1.578
   46    H3*  OMG   5           H3*      OMG   5   4.974  -4.248  -3.560
   47    H4*  OMG   5           H4*      OMG   5   7.244  -3.351  -5.287
   48   1HM2  OMG   5          1HM2      OMG   5   9.602  -3.145  -1.204
   49   2HM2  OMG   5          2HM2      OMG   5   8.015  -2.918  -0.473
   50   3HM2  OMG   5          3HM2      OMG   5   8.715  -1.647  -1.474
   51   1H5*  OMG   5          1H5*      OMG   5   5.414  -4.138  -6.524
   52   2H5*  OMG   5          2H5*      OMG   5   4.254  -3.211  -5.553
   53    H8   OMG   5           H8       OMG   5   3.770  -1.210  -4.323
   54    HN1  OMG   5           HN1      OMG   5   2.774  -0.769   1.998
   55   1HN2  OMG   5          1HN2      OMG   5   4.618  -1.193   3.094
   56   2HN2  OMG   5          2HN2      OMG   5   6.115  -1.598   2.284
   57    H1*  OMG   6           H1*      OMG   6   5.570  -3.602   2.416
   58    H2*  OMG   6           H2*      OMG   6   4.243  -6.104   2.597
   59    H3*  OMG   6           H3*      OMG   6   5.080  -6.947   0.511
   60    H4*  OMG   6           H4*      OMG   6   7.738  -5.683   1.150
   61   1HM2  OMG   6          1HM2      OMG   6   5.976  -5.373   5.478
   62   2HM2  OMG   6          2HM2      OMG   6   6.267  -3.960   4.468
   63   3HM2  OMG   6          3HM2      OMG   6   4.672  -4.708   4.497
   64   1H5*  OMG   6          1H5*      OMG   6   7.695  -5.088  -1.300
   65   2H5*  OMG   6          2H5*      OMG   6   7.836  -6.809  -0.898
   66    H8   OMG   6           H8       OMG   6   4.040  -4.443  -0.887
   67    HN1  OMG   6           HN1      OMG   6  -0.105  -2.019   3.368
   68   1HN2  OMG   6          1HN2      OMG   6   0.792  -1.963   5.361
   69   2HN2  OMG   6          2HN2      OMG   6   2.421  -2.522   5.668
   70   1H5*    C   7          1H5*        C   7   5.970  -7.988   4.596
   71   2H5*    C   7          2H5*        C   7   5.667  -9.733   4.722
   72    H4*    C   7           H4*        C   7   4.513  -8.635   6.489
   73    H3*    C   7           H3*        C   7   2.716  -9.737   4.349
   74    H2*    C   7           H2*        C   7   0.808  -8.899   5.543
   75   2HO*    C   7          2HO*        C   7   2.624  -8.243   7.654
   76    H1*    C   7           H1*        C   7   1.980  -6.435   6.263
   77   1H4     C   7          1H4         C   7  -1.294  -4.869   1.087
   78   2H4     C   7          2H4         C   7  -0.153  -5.710   0.062
   79    H5     C   7           H5         C   7   1.695  -7.007   0.934
   80    H6     C   7           H6         C   7   2.831  -7.747   2.963
   81   1H5*    C   8          1H5*        C   8   1.374 -11.256   8.115
   82   2H5*    C   8          2H5*        C   8   1.245 -13.024   8.035
   83    H4*    C   8           H4*        C   8  -0.739 -12.357   9.023
   84    H3*    C   8           H3*        C   8  -1.128 -13.009   6.137
   85    H2*    C   8           H2*        C   8  -3.395 -12.243   6.189
   86   2HO*    C   8          2HO*        C   8  -2.995 -12.368   9.004
   87    H1*    C   8           H1*        C   8  -2.971  -9.972   7.760
   88   1H4     C   8          1H4         C   8  -2.494  -7.401   2.027
   89   2H4     C   8          2H4         C   8  -1.096  -8.376   1.629
   90    H5     C   8           H5         C   8  -0.191 -10.050   3.132
   91    H6     C   8           H6         C   8  -0.475 -11.149   5.291
   92    HN1  PSU   9           HN1      PSU   9  -3.532 -10.174   2.225
   93    HN3  PSU   9           HN3      PSU   9  -7.016  -8.086   2.595
   94    H6   PSU   9           H6       PSU   9  -3.936 -11.314   4.290
   95    H1*  PSU   9           H1*      PSU   9  -5.965 -10.408   6.733
   96    H2*  PSU   9           H2*      PSU   9  -8.119 -11.286   5.134
   97   *HO2  PSU   9          *HO2      PSU   9  -8.067 -12.542   7.540
   98    H3*  PSU   9           H3*      PSU   9  -7.027 -13.322   4.454
   99    H4*  PSU   9           H4*      PSU   9  -6.071 -13.620   7.295
  100   1H5*  PSU   9          1H5*      PSU   9  -5.258 -15.451   6.213
  101   2H5*  PSU   9          2H5*      PSU   9  -5.126 -14.613   4.655
  102   1H5*    U  10          1H5*        U  10  -8.716 -12.733   3.170
  103   2H5*    U  10          2H5*        U  10 -10.396 -12.987   2.656
  104    H4*    U  10           H4*        U  10  -8.520 -13.474   0.986
  105    H3*    U  10           H3*        U  10 -11.001 -14.383   0.885
  106    H2*    U  10           H2*        U  10 -10.748 -16.235   2.429
  107   2HO*    U  10          2HO*        U  10 -11.372 -17.651   0.969
  108    H1*    U  10           H1*        U  10  -8.128 -17.016   1.051
  109    H3     U  10           H3         U  10  -8.343 -20.404   4.071
  110    H5     U  10           H5         U  10  -7.862 -16.918   6.364
  111    H6     U  10           H6         U  10  -8.195 -15.640   4.352
  112   1H5*    U  11          1H5*        U  11 -10.954 -11.449  -1.644
  113   2H5*    U  11          2H5*        U  11 -11.278 -11.370   0.099
  114    H4*    U  11           H4*        U  11 -13.243 -11.705  -2.155
  115    H3*    U  11           H3*        U  11 -12.473  -9.335  -1.253
  116    H2*    U  11           H2*        U  11 -12.794  -9.743   1.108
  117   2HO*    U  11          2HO*        U  11 -15.358  -9.111   1.162
  118    H1*    U  11           H1*        U  11 -15.493 -11.057   0.504
  119    H3     U  11           H3         U  11 -16.091 -12.628   4.610
  120    H5     U  11           H5         U  11 -11.906 -12.402   4.338
  121    H6     U  11           H6         U  11 -12.171 -11.581   2.096
  122   1H5*    U  12          1H5*        U  12 -12.845  -6.459  -3.394
  123   2H5*    U  12          2H5*        U  12 -12.025  -7.954  -2.903
  124    H4*    U  12           H4*        U  12 -11.332  -5.204  -2.403
  125    H3*    U  12           H3*        U  12  -9.890  -7.348  -3.138
  126    H2*    U  12           H2*        U  12 -10.056  -8.604  -1.105
  127   2HO*    U  12          2HO*        U  12  -8.091  -8.396  -0.120
  128    H1*    U  12           H1*        U  12  -9.702  -6.007   0.491
  129    H3     U  12           H3         U  12  -9.907 -10.106   3.082
  130    H5     U  12           H5         U  12 -13.417  -7.813   3.334
  131    H6     U  12           H6         U  12 -12.624  -6.534   1.456
  132    H1*  OMG  13           H1*      OMG  13 -10.066  -5.115   3.883
  133    H2*  OMG  13           H2*      OMG  13  -9.049  -2.559   3.732
  134    H3*  OMG  13           H3*      OMG  13  -9.380  -2.285   1.360
  135    H4*  OMG  13           H4*      OMG  13 -12.190  -3.282   1.576
  136   1HM2  OMG  13          1HM2      OMG  13 -11.485  -2.855   6.220
  137   2HM2  OMG  13          2HM2      OMG  13  -9.954  -3.591   5.751
  138   3HM2  OMG  13          3HM2      OMG  13 -11.471  -4.429   5.429
  139   1H5*  OMG  13          1H5*      OMG  13 -11.915  -4.257  -0.511
  140   2H5*  OMG  13          2H5*      OMG  13 -10.997  -2.741  -0.612
  141    H8   OMG  13           H8       OMG  13  -8.384  -4.053   0.580
  142    HN1  OMG  13           HN1      OMG  13  -4.715  -7.298   4.713
  143   1HN2  OMG  13          1HN2      OMG  13  -5.782  -7.629   6.592
  144   2HN2  OMG  13          2HN2      OMG  13  -7.413  -7.053   6.851
  145   1H5*    G  14          1H5*        G  14 -10.680  -0.543   4.690
  146   2H5*    G  14          2H5*        G  14 -10.051   1.105   4.885
  147    H4*    G  14           H4*        G  14  -9.293  -0.383   6.661
  148    H3*    G  14           H3*        G  14  -7.160   0.734   4.848
  149    H2*    G  14           H2*        G  14  -5.527  -0.398   6.195
  150   2HO*    G  14          2HO*        G  14  -7.283  -1.487   8.026
  151    H1*    G  14           H1*        G  14  -7.088  -2.744   6.561
  152    H8     G  14           H8         G  14  -7.207  -1.648   2.986
  153    H1     G  14           H1         G  14  -1.935  -4.967   4.518
  154   1H2     G  14          1H2         G  14  -1.776  -5.189   6.688
  155   2H2     G  14          2H2         G  14  -2.969  -4.532   7.787
  156   1H5*    C  15          1H5*        C  15  -5.725   0.828   8.536
  157   2H5*    C  15          2H5*        C  15  -5.721   2.518   9.077
  158    H4*    C  15           H4*        C  15  -3.737   1.851   9.924
  159    H3*    C  15           H3*        C  15  -3.162   2.936   7.197
  160    H2*    C  15           H2*        C  15  -0.873   2.209   7.345
  161   2HO*    C  15          2HO*        C  15  -0.653   0.945   9.617
  162    H1*    C  15           H1*        C  15  -1.401  -0.324   8.320
  163   1H4     C  15          1H4         C  15  -1.709  -1.328   2.078
  164   2H4     C  15          2H4         C  15  -3.219  -0.454   1.963
  165    H5     C  15           H5         C  15  -4.242   0.663   3.852
  166    H6     C  15           H6         C  15  -4.016   1.176   6.227
  167   1H5*    U  16          1H5*        U  16   1.561   5.071   8.420
  168   2H5*    U  16          2H5*        U  16   0.649   4.708   6.942
  169    H4*    U  16           H4*        U  16   2.136   2.733   8.670
  170    H3*    U  16           H3*        U  16   2.893   4.049   6.086
  171    H2*    U  16           H2*        U  16   3.777   1.967   5.271
  172   2HO*    U  16          2HO*        U  16   3.300   0.961   7.908
  173    H1*    U  16           H1*        U  16   1.672   0.370   6.169
  174    H3     U  16           H3         U  16   1.829   1.153   1.557
  175    H5     U  16           H5         U  16  -1.188   3.551   3.241
  176    H6     U  16           H6         U  16  -0.294   3.012   5.407
  177   1H5*    A  17          1H5*        A  17   4.949   3.745   4.755
  178   2H5*    A  17          2H5*        A  17   5.724   2.679   5.942
  179    H4*    A  17           H4*        A  17   7.910   3.271   5.096
  180    H3*    A  17           H3*        A  17   6.475   5.269   3.398
  181    H2*    A  17           H2*        A  17   7.882   4.748   1.515
  182   2HO*    A  17          2HO*        A  17   9.671   4.263   3.299
  183    H1*    A  17           H1*        A  17   7.722   1.992   1.762
  184    H8     A  17           H8         A  17   4.361   2.772   2.881
  185   1H6     A  17          1H6         A  17   2.760   3.931  -2.987
  186   2H6     A  17          2H6         A  17   2.167   3.646  -1.367
  187    H2     A  17           H2         A  17   7.237   3.746  -2.776
  188   1H5*    A  18          1H5*        A  18  11.161   5.790   2.981
  189   2H5*    A  18          2H5*        A  18  11.213   7.563   3.015
  190    H4*    A  18           H4*        A  18  12.481   6.390   1.159
  191    H3*    A  18           H3*        A  18  10.641   8.707   0.737
  192    H2*    A  18           H2*        A  18  10.903   8.536  -1.651
  193   2HO*    A  18          2HO*        A  18  13.254   7.748  -1.169
  194    H1*    A  18           H1*        A  18  10.543   5.797  -1.804
  195    H8     A  18           H8         A  18   8.503   7.212   1.061
  196   1H6     A  18          1H6         A  18   3.958   8.002  -3.069
  197   2H6     A  18          2H6         A  18   4.384   8.059  -1.374
  198    H2     A  18           H2         A  18   7.671   6.809  -5.291
  199    H1*  OMG  19           H1*      OMG  19  11.333  10.460  -4.946
  200    H2*  OMG  19           H2*      OMG  19  11.221  13.169  -4.357
  201    H3*  OMG  19           H3*      OMG  19  12.311  13.013  -2.215
  202    H4*  OMG  19           H4*      OMG  19  14.416  11.234  -3.383
  203   1HM2  OMG  19          1HM2      OMG  19  12.265  10.988  -6.865
  204   2HM2  OMG  19          2HM2      OMG  19  11.096  12.278  -6.593
  205   3HM2  OMG  19          3HM2      OMG  19  12.569  12.602  -7.505
  206   1H5*  OMG  19          1H5*      OMG  19  14.281   9.988  -1.318
  207   2H5*  OMG  19          2H5*      OMG  19  14.502  11.720  -0.998
  208    H8   OMG  19           H8       OMG  19  10.937  10.757  -1.239
  209    HN1  OMG  19           HN1      OMG  19   5.452  11.427  -4.496
  210   1HN2  OMG  19          1HN2      OMG  19   5.852  11.657  -6.633
  211   2HN2  OMG  19          2HN2      OMG  19   7.475  11.642  -7.286
  212   1H5*    A  20          1H5*        A  20  13.411  14.582  -5.891
  213   2H5*    A  20          2H5*        A  20  13.800  16.307  -5.737
  214    H4*    A  20           H4*        A  20  12.261  15.914  -7.563
  215    H3*    A  20           H3*        A  20  11.317  17.578  -5.265
  216    H2*    A  20           H2*        A  20   9.124  17.743  -6.219
  217   2HO*    A  20          2HO*        A  20  10.500  16.861  -8.528
  218    H1*    A  20           H1*        A  20   8.905  15.084  -7.030
  219    H8     A  20           H8         A  20  10.708  15.591  -3.705
  220   1H6     A  20          1H6         A  20   5.158  14.849  -1.062
  221   2H6     A  20          2H6         A  20   6.876  15.018  -0.771
  222    H2     A  20           H2         A  20   4.573  14.997  -5.504
  223    H3T    A  20           H3T        A  20  12.815  18.096  -7.082
  Start of MODEL   15
    1    HN1  PSU   1           HN1      PSU   1   3.030  15.470   2.017
    2    HN3  PSU   1           HN3      PSU   1   5.432  15.701  -1.271
    3    H6   PSU   1           H6       PSU   1   1.101  16.037   0.710
    4    H1*  PSU   1           H1*      PSU   1   1.327  17.299  -2.681
    5    H2*  PSU   1           H2*      PSU   1   0.974  14.527  -2.619
    6   *HO2  PSU   1          *HO2      PSU   1  -0.255  16.730  -3.797
    7    H3*  PSU   1           H3*      PSU   1  -0.447  14.476  -0.688
    8    H4*  PSU   1           H4*      PSU   1  -1.958  16.857  -1.692
    9   1H5*  PSU   1          1H5*      PSU   1  -1.717  17.613   0.707
   10   2H5*  PSU   1          2H5*      PSU   1  -2.707  16.174   0.406
   11    H5T  PSU   1           H5T      PSU   1  -0.299  16.440   1.734
   12   1H5*    C   2          1H5*        C   2  -1.747  14.801  -5.056
   13   2H5*    C   2          2H5*        C   2  -2.457  13.211  -5.392
   14    H4*    C   2           H4*        C   2  -1.161  13.996  -7.274
   15    H3*    C   2           H3*        C   2  -0.294  11.505  -5.889
   16    H2*    C   2           H2*        C   2   1.723  11.368  -7.181
   17   2HO*    C   2          2HO*        C   2   0.468  13.404  -8.739
   18    H1*    C   2           H1*        C   2   2.440  14.034  -7.007
   19   1H4     C   2          1H4         C   2   5.202  11.764  -1.791
   20   2H4     C   2          2H4         C   2   3.657  11.596  -0.994
   21    H5     C   2           H5         C   2   1.551  12.051  -2.092
   22    H6     C   2           H6         C   2   0.498  12.714  -4.187
   23   1H5*    U   3          1H5*        U   3   1.024  10.805  -9.306
   24   2H5*    U   3          2H5*        U   3  -0.184   9.885 -10.224
   25    H4*    U   3           H4*        U   3   1.787   8.956 -10.935
   26    H3*    U   3           H3*        U   3   0.570   7.261  -8.804
   27    H2*    U   3           H2*        U   3   2.506   5.841  -8.712
   28   2HO*    U   3          2HO*        U   3   4.288   6.525 -10.285
   29    H1*    U   3           H1*        U   3   4.401   7.849  -8.704
   30    H3     U   3           H3         U   3   4.313   6.665  -4.363
   31    H5     U   3           H5         U   3   0.849   8.986  -4.859
   32    H6     U   3           H6         U   3   1.316   9.037  -7.219
   33   1H5*    C   4          1H5*        C   4   1.491   2.710 -10.735
   34   2H5*    C   4          2H5*        C   4   0.401   2.860  -9.342
   35    H4*    C   4           H4*        C   4   3.209   2.174  -9.452
   36    H3*    C   4           H3*        C   4   1.015   1.892  -7.420
   37    H2*    C   4           H2*        C   4   2.674   1.547  -5.719
   38   2HO*    C   4          2HO*        C   4   4.977   1.652  -6.487
   39    H1*    C   4           H1*        C   4   4.342   3.621  -6.574
   40   1H4     C   4          1H4         C   4   0.540   6.124  -2.117
   41   2H4     C   4          2H4         C   4  -0.523   6.697  -3.383
   42    H5     C   4           H5         C   4  -0.229   6.107  -5.715
   43    H6     C   4           H6         C   4   1.143   4.854  -7.296
   44    H1*  OMG   5           H1*      OMG   5   5.939  -0.437  -3.294
   45    H2*  OMG   5           H2*      OMG   5   5.200  -2.961  -2.482
   46    H3*  OMG   5           H3*      OMG   5   3.968  -3.551  -4.462
   47    H4*  OMG   5           H4*      OMG   5   6.156  -2.578  -6.238
   48   1HM2  OMG   5          1HM2      OMG   5   7.126  -1.511  -1.751
   49   2HM2  OMG   5          2HM2      OMG   5   8.687  -1.957  -2.438
   50   3HM2  OMG   5          3HM2      OMG   5   7.736  -3.154  -1.561
   51   1H5*  OMG   5          1H5*      OMG   5   4.526  -2.757  -7.715
   52   2H5*  OMG   5          2H5*      OMG   5   3.296  -2.906  -6.445
   53    H8   OMG   5           H8       OMG   5   2.794  -0.519  -5.056
   54    HN1  OMG   5           HN1      OMG   5   1.884  -0.317   1.288
   55   1HN2  OMG   5          1HN2      OMG   5   3.743  -0.786   2.344
   56   2HN2  OMG   5          2HN2      OMG   5   5.230  -1.157   1.498
   57    H1*  OMG   6           H1*      OMG   6   4.954  -3.051   1.034
   58    H2*  OMG   6           H2*      OMG   6   3.616  -5.398   1.811
   59    H3*  OMG   6           H3*      OMG   6   4.157  -6.636  -0.181
   60    H4*  OMG   6           H4*      OMG   6   6.953  -5.535  -0.025
   61   1HM2  OMG   6          1HM2      OMG   6   5.784  -4.400   4.331
   62   2HM2  OMG   6          2HM2      OMG   6   5.515  -3.112   3.159
   63   3HM2  OMG   6          3HM2      OMG   6   4.187  -4.175   3.620
   64   1H5*  OMG   6          1H5*      OMG   6   7.064  -5.663  -2.345
   65   2H5*  OMG   6          2H5*      OMG   6   6.210  -7.138  -1.851
   66    H8   OMG   6           H8       OMG   6   3.378  -4.123  -2.086
   67    HN1  OMG   6           HN1      OMG   6  -0.869  -1.774   2.108
   68   1HN2  OMG   6          1HN2      OMG   6   0.023  -1.626   4.099
   69   2HN2  OMG   6          2HN2      OMG   6   1.675  -2.104   4.421
   70   1H5*    C   7          1H5*        C   7   5.427  -8.074   3.767
   71   2H5*    C   7          2H5*        C   7   4.693  -9.674   3.993
   72    H4*    C   7           H4*        C   7   4.043  -8.103   5.744
   73    H3*    C   7           H3*        C   7   1.868  -9.194   3.980
   74    H2*    C   7           H2*        C   7   0.259  -7.896   5.209
   75   2HO*    C   7          2HO*        C   7   1.706  -6.567   6.980
   76    H1*    C   7           H1*        C   7   1.815  -5.566   5.331
   77   1H4     C   7          1H4         C   7  -1.921  -4.787   0.257
   78   2H4     C   7          2H4         C   7  -0.760  -5.641  -0.735
   79    H5     C   7           H5         C   7   1.207  -6.720   0.178
   80    H6     C   7           H6         C   7   2.445  -7.211   2.221
   81   1H5*    C   8          1H5*        C   8   1.151  -9.701   8.285
   82   2H5*    C   8          2H5*        C   8   0.646 -11.377   8.580
   83    H4*    C   8           H4*        C   8  -0.652  -9.812   9.901
   84    H3*    C   8           H3*        C   8  -2.062 -11.499   7.882
   85    H2*    C   8           H2*        C   8  -4.147 -10.368   8.301
   86   2HO*    C   8          2HO*        C   8  -2.754  -8.978  10.378
   87    H1*    C   8           H1*        C   8  -3.148  -7.805   8.206
   88   1H4     C   8          1H4         C   8  -4.436  -9.230   2.134
   89   2H4     C   8          2H4         C   8  -2.775  -9.734   1.919
   90    H5     C   8           H5         C   8  -1.199  -9.890   3.747
   91    H6     C   8           H6         C   8  -0.877  -9.533   6.138
   92    HN1  PSU   9           HN1      PSU   9  -4.204 -11.971   4.790
   93    HN3  PSU   9           HN3      PSU   9  -7.226 -10.000   2.887
   94    H6   PSU   9           H6       PSU   9  -5.251 -11.626   6.918
   95    H1*  PSU   9           H1*      PSU   9  -8.187  -9.464   7.339
   96    H2*  PSU   9           H2*      PSU   9  -8.543 -12.266   7.069
   97   *HO2  PSU   9          *HO2      PSU   9  -9.392 -10.240   8.843
   98    H3*  PSU   9           H3*      PSU   9  -6.685 -12.833   8.485
   99    H4*  PSU   9           H4*      PSU   9  -7.508 -10.558  10.282
  100   1H5*  PSU   9          1H5*      PSU   9  -5.027 -10.220  10.491
  101   2H5*  PSU   9          2H5*      PSU   9  -5.675 -11.716  11.189
  102   1H5*    U  10          1H5*        U  10 -11.003 -12.622   7.291
  103   2H5*    U  10          2H5*        U  10 -11.388 -14.352   7.384
  104    H4*    U  10           H4*        U  10 -10.172 -12.798   5.235
  105    H3*    U  10           H3*        U  10 -12.281 -14.367   5.144
  106    H2*    U  10           H2*        U  10 -11.264 -16.388   6.012
  107   2HO*    U  10          2HO*        U  10 -11.158 -17.739   4.268
  108    H1*    U  10           H1*        U  10  -8.848 -16.016   4.180
  109    H3     U  10           H3         U  10  -8.511 -19.990   6.724
  110    H5     U  10           H5         U  10  -6.662 -16.820   8.767
  111    H6     U  10           H6         U  10  -7.705 -15.309   7.210
  112   1H5*    U  11          1H5*        U  11 -10.489 -11.150   1.247
  113   2H5*    U  11          2H5*        U  11 -12.124 -11.030   0.567
  114    H4*    U  11           H4*        U  11 -10.945 -11.193  -1.349
  115    H3*    U  11           H3*        U  11 -12.373 -13.381  -1.065
  116    H2*    U  11           H2*        U  11 -10.850 -14.678   0.273
  117   2HO*    U  11          2HO*        U  11 -11.247 -15.861  -1.692
  118    H1*    U  11           H1*        U  11  -8.478 -13.930  -1.484
  119    H3     U  11           H3         U  11  -5.780 -15.872   1.472
  120    H5     U  11           H5         U  11  -8.378 -13.647   3.909
  121    H6     U  11           H6         U  11  -9.582 -13.022   1.924
  122   1H5*    U  12          1H5*        U  12 -11.820  -9.353  -3.937
  123   2H5*    U  12          2H5*        U  12 -10.268  -9.829  -4.654
  124    H4*    U  12           H4*        U  12 -10.879  -7.891  -2.525
  125    H3*    U  12           H3*        U  12  -9.749  -7.490  -4.909
  126    H2*    U  12           H2*        U  12  -7.854  -8.973  -4.623
  127   2HO*    U  12          2HO*        U  12  -6.468  -7.384  -4.914
  128    H1*    U  12           H1*        U  12  -7.505  -7.870  -1.779
  129    H3     U  12           H3         U  12  -4.040 -10.897  -3.244
  130    H5     U  12           H5         U  12  -6.804 -12.749  -0.680
  131    H6     U  12           H6         U  12  -8.245 -10.846  -0.985
  132    H1*  OMG  13           H1*      OMG  13 -11.035  -6.195   2.759
  133    H2*  OMG  13           H2*      OMG  13  -9.714  -3.809   2.323
  134    H3*  OMG  13           H3*      OMG  13 -10.284  -3.603  -0.008
  135    H4*  OMG  13           H4*      OMG  13 -13.140  -4.268   0.571
  136   1HM2  OMG  13          1HM2      OMG  13 -12.080  -5.237   4.440
  137   2HM2  OMG  13          2HM2      OMG  13 -11.822  -3.616   5.079
  138   3HM2  OMG  13          3HM2      OMG  13 -10.454  -4.561   4.492
  139   1H5*  OMG  13          1H5*      OMG  13 -12.972  -5.692  -1.437
  140   2H5*  OMG  13          2H5*      OMG  13 -12.582  -3.985  -1.730
  141    H8   OMG  13           H8       OMG  13  -9.865  -6.266  -0.803
  142    HN1  OMG  13           HN1      OMG  13  -5.364  -7.785   3.499
  143   1HN2  OMG  13          1HN2      OMG  13  -6.037  -7.315   5.516
  144   2HN2  OMG  13          2HN2      OMG  13  -7.611  -6.620   5.832
  145   1H5*    G  14          1H5*        G  14 -11.487  -1.327   3.168
  146   2H5*    G  14          2H5*        G  14 -10.911   0.352   3.160
  147    H4*    G  14           H4*        G  14 -10.295  -0.823   5.207
  148    H3*    G  14           H3*        G  14  -8.076   0.162   3.439
  149    H2*    G  14           H2*        G  14  -6.472  -0.744   4.991
  150   2HO*    G  14          2HO*        G  14  -8.127  -1.897   6.795
  151    H1*    G  14           H1*        G  14  -7.796  -3.178   5.366
  152    H8     G  14           H8         G  14  -8.249  -2.274   1.785
  153    H1     G  14           H1         G  14  -2.473  -4.741   3.086
  154   1H2     G  14          1H2         G  14  -2.148  -4.827   5.251
  155   2H2     G  14          2H2         G  14  -3.352  -4.284   6.400
  156   1H5*    C  15          1H5*        C  15  -6.838   0.590   7.171
  157   2H5*    C  15          2H5*        C  15  -6.921   2.316   7.577
  158    H4*    C  15           H4*        C  15  -4.968   1.728   8.585
  159    H3*    C  15           H3*        C  15  -4.305   2.799   5.873
  160    H2*    C  15           H2*        C  15  -1.990   2.198   6.155
  161   2HO*    C  15          2HO*        C  15  -2.694   1.376   8.801
  162    H1*    C  15           H1*        C  15  -2.439  -0.357   7.079
  163   1H4     C  15          1H4         C  15  -2.526  -1.268   0.809
  164   2H4     C  15          2H4         C  15  -4.100  -0.518   0.680
  165    H5     C  15           H5         C  15  -5.243   0.482   2.563
  166    H6     C  15           H6         C  15  -5.106   0.973   4.949
  167   1H5*    U  16          1H5*        U  16   0.229   5.559   7.545
  168   2H5*    U  16          2H5*        U  16  -0.628   5.197   6.034
  169    H4*    U  16           H4*        U  16   0.577   3.166   7.909
  170    H3*    U  16           H3*        U  16   1.700   4.393   5.412
  171    H2*    U  16           H2*        U  16   2.535   2.237   4.739
  172   2HO*    U  16          2HO*        U  16   1.779   0.529   6.533
  173    H1*    U  16           H1*        U  16   0.221   0.818   5.396
  174    H3     U  16           H3         U  16   1.088   1.673   0.826
  175    H5     U  16           H5         U  16  -2.193   3.957   2.122
  176    H6     U  16           H6         U  16  -1.589   3.398   4.381
  177   1H5*    A  17          1H5*        A  17   6.496   3.241   7.086
  178   2H5*    A  17          2H5*        A  17   6.693   4.877   6.430
  179    H4*    A  17           H4*        A  17   8.056   2.847   5.487
  180    H3*    A  17           H3*        A  17   6.955   5.178   3.959
  181    H2*    A  17           H2*        A  17   7.667   4.173   1.893
  182   2HO*    A  17          2HO*        A  17   9.670   3.351   2.523
  183    H1*    A  17           H1*        A  17   6.782   1.600   2.488
  184    H8     A  17           H8         A  17   4.115   3.577   4.007
  185   1H6     A  17          1H6         A  17   1.797   4.561  -1.649
  186   2H6     A  17          2H6         A  17   1.485   4.674   0.068
  187    H2     A  17           H2         A  17   5.933   2.890  -2.112
  188   1H5*    A  18          1H5*        A  18  11.783   4.626   2.775
  189   2H5*    A  18          2H5*        A  18  12.004   6.384   2.685
  190    H4*    A  18           H4*        A  18  12.887   4.994   0.760
  191    H3*    A  18           H3*        A  18  11.253   7.470   0.454
  192    H2*    A  18           H2*        A  18  11.081   7.158  -1.922
  193   2HO*    A  18          2HO*        A  18  12.365   4.841  -2.301
  194    H1*    A  18           H1*        A  18  10.490   4.454  -1.867
  195    H8     A  18           H8         A  18   8.908   5.853   1.210
  196   1H6     A  18          1H6         A  18   4.102   7.480  -2.340
  197   2H6     A  18          2H6         A  18   4.679   7.301  -0.698
  198    H2     A  18           H2         A  18   7.477   6.263  -5.035
  199    H1*  OMG  19           H1*      OMG  19  11.191   8.908  -5.402
  200    H2*  OMG  19           H2*      OMG  19  11.897  11.564  -5.088
  201    H3*  OMG  19           H3*      OMG  19  13.347  11.264  -3.196
  202    H4*  OMG  19           H4*      OMG  19  14.685   8.915  -4.450
  203   1HM2  OMG  19          1HM2      OMG  19  11.139  10.806  -7.182
  204   2HM2  OMG  19          2HM2      OMG  19  12.420  10.551  -8.365
  205   3HM2  OMG  19          3HM2      OMG  19  11.717   9.176  -7.519
  206   1H5*  OMG  19          1H5*      OMG  19  14.538   7.883  -2.269
  207   2H5*  OMG  19          2H5*      OMG  19  15.234   9.512  -2.159
  208    H8   OMG  19           H8       OMG  19  11.697   9.263  -1.746
  209    HN1  OMG  19           HN1      OMG  19   6.094  11.642  -3.772
  210   1HN2  OMG  19          1HN2      OMG  19   6.074  11.803  -5.953
  211   2HN2  OMG  19          2HN2      OMG  19   7.440  11.326  -6.938
  212   1H5*    A  20          1H5*        A  20  13.293  12.353  -7.317
  213   2H5*    A  20          2H5*        A  20  14.141  13.913  -7.299
  214    H4*    A  20           H4*        A  20  11.913  14.003  -8.355
  215    H3*    A  20           H3*        A  20  12.563  15.759  -6.022
  216    H2*    A  20           H2*        A  20  10.324  16.578  -5.933
  217   2HO*    A  20          2HO*        A  20  10.398  15.792  -8.607
  218    H1*    A  20           H1*        A  20   9.031  14.158  -6.640
  219    H8     A  20           H8         A  20  11.794  13.923  -4.020
  220   1H6     A  20          1H6         A  20   7.281  14.584   0.169
  221   2H6     A  20          2H6         A  20   8.977  14.228  -0.068
  222    H2     A  20           H2         A  20   5.516  15.258  -3.897
  223    H3T    A  20           H3T        A  20  13.255  15.912  -8.302
  Start of MODEL   16
    1    HN1  PSU   1           HN1      PSU   1   1.834  13.911   1.633
    2    HN3  PSU   1           HN3      PSU   1   4.771  14.818  -1.049
    3    H6   PSU   1           H6       PSU   1   0.140  14.630   0.097
    4    H1*  PSU   1           H1*      PSU   1   0.951  16.277  -3.099
    5    H2*  PSU   1           H2*      PSU   1   0.366  13.538  -3.052
    6   *HO2  PSU   1          *HO2      PSU   1   0.169  15.390  -4.717
    7    H3*  PSU   1           H3*      PSU   1  -1.328  13.657  -1.359
    8    H4*  PSU   1           H4*      PSU   1  -2.425  16.148  -2.616
    9   1H5*  PSU   1          1H5*      PSU   1  -2.560  16.934  -0.239
   10   2H5*  PSU   1          2H5*      PSU   1  -3.570  15.539  -0.660
   11    H5T  PSU   1           H5T      PSU   1  -1.956  14.194   0.246
   12   1H5*    C   2          1H5*        C   2  -2.218  13.928  -5.896
   13   2H5*    C   2          2H5*        C   2  -2.789  12.309  -6.348
   14    H4*    C   2           H4*        C   2  -1.256  13.220  -7.999
   15    H3*    C   2           H3*        C   2  -0.510  10.705  -6.574
   16    H2*    C   2           H2*        C   2   1.656  10.675  -7.610
   17   2HO*    C   2          2HO*        C   2   0.545  11.606  -9.646
   18    H1*    C   2           H1*        C   2   2.231  13.372  -7.284
   19   1H4     C   2          1H4         C   2   4.572  11.067  -1.885
   20   2H4     C   2          2H4         C   2   2.968  10.711  -1.285
   21    H5     C   2           H5         C   2   0.966  11.044  -2.598
   22    H6     C   2           H6         C   2   0.094  11.755  -4.760
   23   1H5*    U   3          1H5*        U   3   0.968   9.987 -10.290
   24   2H5*    U   3          2H5*        U   3  -0.179   8.864 -11.046
   25    H4*    U   3           H4*        U   3   1.779   7.922 -11.687
   26    H3*    U   3           H3*        U   3   0.911   6.588  -9.169
   27    H2*    U   3           H2*        U   3   3.001   5.429  -8.946
   28   2HO*    U   3          2HO*        U   3   3.043   5.851 -11.644
   29    H1*    U   3           H1*        U   3   4.659   7.558  -9.543
   30    H3     U   3           H3         U   3   5.171   7.660  -5.108
   31    H5     U   3           H5         U   3   1.165   8.803  -5.628
   32    H6     U   3           H6         U   3   1.419   8.348  -7.977
   33   1H5*    C   4          1H5*        C   4   3.622   3.784 -11.308
   34   2H5*    C   4          2H5*        C   4   2.730   2.258 -11.150
   35    H4*    C   4           H4*        C   4   5.102   2.452 -10.162
   36    H3*    C   4           H3*        C   4   2.755   1.132  -8.858
   37    H2*    C   4           H2*        C   4   4.040   0.751  -6.860
   38   2HO*    C   4          2HO*        C   4   6.082   0.886  -8.630
   39    H1*    C   4           H1*        C   4   5.180   3.285  -6.736
   40   1H4     C   4          1H4         C   4  -0.154   3.880  -3.349
   41   2H4     C   4          2H4         C   4  -1.047   4.249  -4.807
   42    H5     C   4           H5         C   4  -0.063   4.136  -7.018
   43    H6     C   4           H6         C   4   1.962   3.616  -8.274
   44    H1*  OMG   5           H1*      OMG   5   6.564  -0.354  -3.494
   45    H2*  OMG   5           H2*      OMG   5   5.991  -2.891  -2.591
   46    H3*  OMG   5           H3*      OMG   5   4.785  -3.613  -4.546
   47    H4*  OMG   5           H4*      OMG   5   6.922  -2.570  -6.350
   48   1HM2  OMG   5          1HM2      OMG   5   7.839  -2.106  -1.558
   49   2HM2  OMG   5          2HM2      OMG   5   8.514  -0.858  -2.603
   50   3HM2  OMG   5          3HM2      OMG   5   9.418  -2.340  -2.304
   51   1H5*  OMG   5          1H5*      OMG   5   5.054  -3.380  -7.509
   52   2H5*  OMG   5          2H5*      OMG   5   3.920  -2.525  -6.444
   53    H8   OMG   5           H8       OMG   5   3.433  -0.602  -5.219
   54    HN1  OMG   5           HN1      OMG   5   2.525  -0.469   1.129
   55   1HN2  OMG   5          1HN2      OMG   5   4.408  -0.845   2.179
   56   2HN2  OMG   5          2HN2      OMG   5   5.909  -1.141   1.330
   57    H1*  OMG   6           H1*      OMG   6   5.628  -3.126   1.169
   58    H2*  OMG   6           H2*      OMG   6   4.332  -5.553   1.723
   59    H3*  OMG   6           H3*      OMG   6   5.012  -6.637  -0.317
   60    H4*  OMG   6           H4*      OMG   6   7.761  -5.479   0.079
   61   1HM2  OMG   6          1HM2      OMG   6   6.131  -3.298   3.301
   62   2HM2  OMG   6          2HM2      OMG   6   4.777  -4.382   3.611
   63   3HM2  OMG   6          3HM2      OMG   6   6.325  -4.653   4.411
   64   1H5*  OMG   6          1H5*      OMG   6   7.980  -5.407  -2.257
   65   2H5*  OMG   6          2H5*      OMG   6   7.247  -6.977  -1.874
   66    H8   OMG   6           H8       OMG   6   4.238  -4.109  -2.086
   67    HN1  OMG   6           HN1      OMG   6  -0.249  -2.005   1.989
   68   1HN2  OMG   6          1HN2      OMG   6   0.550  -1.901   4.019
   69   2HN2  OMG   6          2HN2      OMG   6   2.198  -2.350   4.398
   70   1H5*    C   7          1H5*        C   7   6.125  -8.269   3.604
   71   2H5*    C   7          2H5*        C   7   5.423  -9.895   3.710
   72    H4*    C   7           H4*        C   7   4.665  -8.441   5.517
   73    H3*    C   7           H3*        C   7   2.589  -9.481   3.608
   74    H2*    C   7           H2*        C   7   0.901  -8.290   4.845
   75   2HO*    C   7          2HO*        C   7   1.918  -7.024   6.768
   76    H1*    C   7           H1*        C   7   2.380  -5.934   5.140
   77   1H4     C   7          1H4         C   7  -1.159  -5.033  -0.055
   78   2H4     C   7          2H4         C   7   0.072  -5.800  -1.033
   79    H5     C   7           H5         C   7   2.037  -6.856  -0.084
   80    H6     C   7           H6         C   7   3.200  -7.406   1.987
   81   1H5*    C   8          1H5*        C   8   1.639 -10.761   7.939
   82   2H5*    C   8          2H5*        C   8   0.909 -12.371   7.776
   83    H4*    C   8           H4*        C   8  -0.324 -10.783   9.251
   84    H3*    C   8           H3*        C   8  -1.639 -12.222   6.991
   85    H2*    C   8           H2*        C   8  -3.692 -11.016   7.330
   86   2HO*    C   8          2HO*        C   8  -3.158  -9.291   9.245
   87    H1*    C   8           H1*        C   8  -2.562  -8.513   7.548
   88   1H4     C   8          1H4         C   8  -3.436  -9.348   1.290
   89   2H4     C   8          2H4         C   8  -1.764  -9.841   1.155
   90    H5     C   8           H5         C   8  -0.328 -10.179   3.071
   91    H6     C   8           H6         C   8  -0.193 -10.073   5.505
   92    HN1  PSU   9           HN1      PSU   9  -2.629 -12.766   4.185
   93    HN3  PSU   9           HN3      PSU   9  -5.273 -11.653   1.283
   94    H6   PSU   9           H6       PSU   9  -4.311 -12.526   5.876
   95    H1*  PSU   9           H1*      PSU   9  -7.642 -11.116   5.148
   96    H2*  PSU   9           H2*      PSU   9  -7.227 -13.912   5.308
   97   *HO2  PSU   9          *HO2      PSU   9  -8.936 -12.260   6.902
   98    H3*  PSU   9           H3*      PSU   9  -5.710 -13.770   7.174
   99    H4*  PSU   9           H4*      PSU   9  -7.543 -11.690   8.356
  100   1H5*  PSU   9          1H5*      PSU   9  -5.211 -10.634   8.873
  101   2H5*  PSU   9          2H5*      PSU   9  -5.862 -11.947   9.872
  102   1H5*    U  10          1H5*        U  10  -9.754 -15.862   5.645
  103   2H5*    U  10          2H5*        U  10  -9.666 -14.206   6.277
  104    H4*    U  10           H4*        U  10 -11.853 -16.224   6.497
  105    H3*    U  10           H3*        U  10 -11.796 -14.146   4.844
  106    H2*    U  10           H2*        U  10 -11.350 -12.421   6.485
  107   2HO*    U  10          2HO*        U  10 -14.170 -12.803   6.283
  108    H1*    U  10           H1*        U  10 -13.438 -13.684   8.339
  109    H3     U  10           H3         U  10 -12.518 -10.368  11.216
  110    H5     U  10           H5         U  10  -8.755 -12.049  10.408
  111    H6     U  10           H6         U  10  -9.816 -13.434   8.751
  112   1H5*    U  11          1H5*        U  11 -13.062 -15.568   1.604
  113   2H5*    U  11          2H5*        U  11 -11.545 -14.763   2.053
  114    H4*    U  11           H4*        U  11 -13.771 -13.838   0.326
  115    H3*    U  11           H3*        U  11 -11.328 -14.523  -0.429
  116    H2*    U  11           H2*        U  11 -10.066 -13.072   1.029
  117   2HO*    U  11          2HO*        U  11  -9.886 -12.490  -1.386
  118    H1*    U  11           H1*        U  11 -11.958 -10.747   0.434
  119    H3     U  11           H3         U  11 -10.363  -8.182   3.683
  120    H5     U  11           H5         U  11  -9.635 -12.048   5.156
  121    H6     U  11           H6         U  11 -10.632 -12.919   3.148
  122   1H5*    U  12          1H5*        U  12 -12.646  -8.801  -0.468
  123   2H5*    U  12          2H5*        U  12 -13.364  -9.129  -2.057
  124    H4*    U  12           H4*        U  12 -11.485  -7.382  -1.839
  125    H3*    U  12           H3*        U  12 -12.207  -9.061  -4.018
  126    H2*    U  12           H2*        U  12 -10.145 -10.137  -4.313
  127   2HO*    U  12          2HO*        U  12  -9.558  -8.811  -5.904
  128    H1*    U  12           H1*        U  12  -8.700  -7.943  -2.733
  129    H3     U  12           H3         U  12  -5.916 -11.580  -4.257
  130    H5     U  12           H5         U  12  -6.900 -11.920  -0.188
  131    H6     U  12           H6         U  12  -8.567 -10.217  -0.528
  132    H1*  OMG  13           H1*      OMG  13 -10.531  -6.544   2.221
  133    H2*  OMG  13           H2*      OMG  13  -9.175  -4.166   1.863
  134    H3*  OMG  13           H3*      OMG  13  -9.838  -3.842  -0.435
  135    H4*  OMG  13           H4*      OMG  13 -12.684  -4.438   0.277
  136   1HM2  OMG  13          1HM2      OMG  13 -11.191  -4.106   4.709
  137   2HM2  OMG  13          2HM2      OMG  13  -9.883  -5.063   4.017
  138   3HM2  OMG  13          3HM2      OMG  13 -11.539  -5.664   3.966
  139   1H5*  OMG  13          1H5*      OMG  13 -12.926  -5.400  -1.822
  140   2H5*  OMG  13          2H5*      OMG  13 -11.862  -4.005  -2.090
  141    H8   OMG  13           H8       OMG  13  -9.515  -6.379  -1.393
  142    HN1  OMG  13           HN1      OMG  13  -4.899  -8.365   2.583
  143   1HN2  OMG  13          1HN2      OMG  13  -5.477  -8.039   4.657
  144   2HN2  OMG  13          2HN2      OMG  13  -7.016  -7.331   5.093
  145   1H5*    G  14          1H5*        G  14 -10.963  -1.717   2.881
  146   2H5*    G  14          2H5*        G  14 -10.413  -0.031   2.964
  147    H4*    G  14           H4*        G  14  -9.829  -1.284   4.970
  148    H3*    G  14           H3*        G  14  -7.586  -0.193   3.299
  149    H2*    G  14           H2*        G  14  -5.997  -1.153   4.832
  150   2HO*    G  14          2HO*        G  14  -7.307  -2.444   6.633
  151    H1*    G  14           H1*        G  14  -7.284  -3.622   5.064
  152    H8     G  14           H8         G  14  -7.730  -2.549   1.529
  153    H1     G  14           H1         G  14  -1.915  -4.968   2.746
  154   1H2     G  14          1H2         G  14  -1.604  -5.160   4.905
  155   2H2     G  14          2H2         G  14  -2.824  -4.698   6.071
  156   1H5*    C  15          1H5*        C  15  -6.382   0.016   6.966
  157   2H5*    C  15          2H5*        C  15  -6.578   1.686   7.533
  158    H4*    C  15           H4*        C  15  -4.617   1.175   8.534
  159    H3*    C  15           H3*        C  15  -3.928   2.385   5.888
  160    H2*    C  15           H2*        C  15  -1.596   1.871   6.217
  161   2HO*    C  15          2HO*        C  15  -1.096   0.718   8.299
  162    H1*    C  15           H1*        C  15  -1.966  -0.741   7.006
  163   1H4     C  15          1H4         C  15  -1.866  -1.365   0.701
  164   2H4     C  15          2H4         C  15  -3.468  -0.680   0.566
  165    H5     C  15           H5         C  15  -4.698   0.184   2.464
  166    H6     C  15           H6         C  15  -4.637   0.571   4.871
  167   1H5*    U  16          1H5*        U  16   0.386   5.167   7.051
  168   2H5*    U  16          2H5*        U  16  -0.618   4.536   5.731
  169    H4*    U  16           H4*        U  16   0.845   2.779   7.688
  170    H3*    U  16           H3*        U  16   1.915   3.984   5.160
  171    H2*    U  16           H2*        U  16   2.906   1.868   4.574
  172   2HO*    U  16          2HO*        U  16   2.055   1.009   7.169
  173    H1*    U  16           H1*        U  16   0.673   0.326   5.201
  174    H3     U  16           H3         U  16   1.660   1.489   0.658
  175    H5     U  16           H5         U  16  -2.049   3.044   1.882
  176    H6     U  16           H6         U  16  -1.429   2.522   4.146
  177   1H5*    A  17          1H5*        A  17   5.985   2.817   6.739
  178   2H5*    A  17          2H5*        A  17   6.708   4.438   6.760
  179    H4*    A  17           H4*        A  17   8.119   2.894   5.560
  180    H3*    A  17           H3*        A  17   6.877   5.096   3.942
  181    H2*    A  17           H2*        A  17   7.959   4.236   1.972
  182   2HO*    A  17          2HO*        A  17   9.469   2.479   2.191
  183    H1*    A  17           H1*        A  17   7.383   1.546   2.487
  184    H8     A  17           H8         A  17   4.311   3.239   3.584
  185   1H6     A  17          1H6         A  17   2.638   3.673  -2.363
  186   2H6     A  17          2H6         A  17   2.100   3.830  -0.705
  187    H2     A  17           H2         A  17   6.958   2.479  -2.215
  188   1H5*    A  18          1H5*        A  18  11.565   5.605   3.471
  189   2H5*    A  18          2H5*        A  18  11.654   7.373   3.335
  190    H4*    A  18           H4*        A  18  12.819   6.000   1.550
  191    H3*    A  18           H3*        A  18  10.993   8.298   0.964
  192    H2*    A  18           H2*        A  18  11.217   7.896  -1.403
  193   2HO*    A  18          2HO*        A  18  12.697   5.715  -1.557
  194    H1*    A  18           H1*        A  18  10.843   5.152  -1.271
  195    H8     A  18           H8         A  18   8.706   6.543   1.449
  196   1H6     A  18          1H6         A  18   4.390   7.619  -2.857
  197   2H6     A  18          2H6         A  18   4.722   7.560  -1.140
  198    H2     A  18           H2         A  18   8.214   6.570  -4.952
  199    H1*  OMG  19           H1*      OMG  19  11.496   9.900  -4.635
  200    H2*  OMG  19           H2*      OMG  19  11.474  12.621  -4.175
  201    H3*  OMG  19           H3*      OMG  19  12.644  12.540  -2.069
  202    H4*  OMG  19           H4*      OMG  19  14.714  10.722  -3.231
  203   1HM2  OMG  19          1HM2      OMG  19  12.747  11.971  -7.346
  204   2HM2  OMG  19          2HM2      OMG  19  12.185  10.454  -6.648
  205   3HM2  OMG  19          3HM2      OMG  19  11.269  11.936  -6.388
  206   1H5*  OMG  19          1H5*      OMG  19  14.617   9.535  -1.131
  207   2H5*  OMG  19          2H5*      OMG  19  14.835  11.276  -0.862
  208    H8   OMG  19           H8       OMG  19  11.383  10.030  -0.955
  209    HN1  OMG  19           HN1      OMG  19   5.752  11.473  -3.665
  210   1HN2  OMG  19          1HN2      OMG  19   6.006  11.843  -5.808
  211   2HN2  OMG  19          2HN2      OMG  19   7.564  11.736  -6.596
  212   1H5*    A  20          1H5*        A  20  14.257  15.680  -5.029
  213   2H5*    A  20          2H5*        A  20  14.050  17.119  -4.013
  214    H4*    A  20           H4*        A  20  12.756  17.062  -6.175
  215    H3*    A  20           H3*        A  20  11.463  17.645  -3.534
  216    H2*    A  20           H2*        A  20   9.327  17.850  -4.645
  217   2HO*    A  20          2HO*        A  20  10.008  17.093  -7.146
  218    H1*    A  20           H1*        A  20   9.557  15.481  -6.038
  219    H8     A  20           H8         A  20  11.497  14.850  -2.931
  220   1H6     A  20          1H6         A  20   6.119  13.715  -0.080
  221   2H6     A  20          2H6         A  20   7.860  13.620   0.051
  222    H2     A  20           H2         A  20   5.215  15.481  -4.102
  223    H3T    A  20           H3T        A  20  12.514  19.323  -4.163
  Start of MODEL   17
    1    HN1  PSU   1           HN1      PSU   1  -0.017  11.986   1.730
    2    HN3  PSU   1           HN3      PSU   1   2.092  12.881  -1.645
    3    H6   PSU   1           H6       PSU   1  -2.086  12.494   0.631
    4    H1*  PSU   1           H1*      PSU   1  -2.414  14.361  -2.209
    5    H2*  PSU   1           H2*      PSU   1  -1.815  11.961  -3.486
    6   *HO2  PSU   1          *HO2      PSU   1  -4.354  12.696  -4.072
    7    H3*  PSU   1           H3*      PSU   1  -2.967  10.533  -1.934
    8    H4*  PSU   1           H4*      PSU   1  -5.300  12.404  -1.875
    9   1H5*  PSU   1          1H5*      PSU   1  -5.346  11.969   0.518
   10   2H5*  PSU   1          2H5*      PSU   1  -5.386  10.474  -0.433
   11    H5T  PSU   1           H5T      PSU   1  -3.842  10.033   0.986
   12   1H5*    C   2          1H5*        C   2  -3.535  11.697  -5.825
   13   2H5*    C   2          2H5*        C   2  -4.352  10.327  -6.604
   14    H4*    C   2           H4*        C   2  -2.947  11.002  -8.264
   15    H3*    C   2           H3*        C   2  -1.651   8.783  -6.754
   16    H2*    C   2           H2*        C   2   0.430   9.082  -7.915
   17   2HO*    C   2          2HO*        C   2   0.415   9.856  -9.899
   18    H1*    C   2           H1*        C   2   0.518  11.846  -7.767
   19   1H4     C   2          1H4         C   2   3.417  10.179  -2.386
   20   2H4     C   2          2H4         C   2   1.876   9.885  -1.616
   21    H5     C   2           H5         C   2  -0.234  10.016  -2.795
   22    H6     C   2           H6         C   2  -1.287  10.418  -4.956
   23   1H5*    U   3          1H5*        U   3  -0.430   7.427 -10.473
   24   2H5*    U   3          2H5*        U   3  -1.559   6.101 -10.814
   25    H4*    U   3           H4*        U   3   0.387   5.077 -11.333
   26    H3*    U   3           H3*        U   3  -0.179   4.494  -8.465
   27    H2*    U   3           H2*        U   3   1.989   3.517  -8.139
   28   2HO*    U   3          2HO*        U   3   2.483   3.878 -10.925
   29    H1*    U   3           H1*        U   3   3.450   5.455  -9.463
   30    H3     U   3           H3         U   3   4.300   6.794  -5.285
   31    H5     U   3           H5         U   3   0.219   7.665  -5.761
   32    H6     U   3           H6         U   3   0.312   6.562  -7.900
   33   1H5*    C   4          1H5*        C   4   2.226   1.622  -9.722
   34   2H5*    C   4          2H5*        C   4   1.411   0.049  -9.607
   35    H4*    C   4           H4*        C   4   3.579  -0.127  -8.630
   36    H3*    C   4           H3*        C   4   1.282  -0.296  -6.723
   37    H2*    C   4           H2*        C   4   2.796  -0.468  -4.859
   38   2HO*    C   4          2HO*        C   4   5.129  -0.363  -5.354
   39    H1*    C   4           H1*        C   4   4.390   1.653  -5.609
   40   1H4     C   4          1H4         C   4  -0.227   4.573  -2.397
   41   2H4     C   4          2H4         C   4  -1.308   4.445  -3.766
   42    H5     C   4           H5         C   4  -0.723   3.265  -5.799
   43    H6     C   4           H6         C   4   1.010   1.969  -6.924
   44    H1*  OMG   5           H1*      OMG   5   6.888  -1.532  -2.802
   45    H2*  OMG   5           H2*      OMG   5   6.486  -3.856  -1.348
   46    H3*  OMG   5           H3*      OMG   5   4.962  -4.886  -2.899
   47    H4*  OMG   5           H4*      OMG   5   6.737  -4.164  -5.195
   48   1HM2  OMG   5          1HM2      OMG   5   8.960  -2.002  -1.928
   49   2HM2  OMG   5          2HM2      OMG   5   9.921  -3.470  -1.764
   50   3HM2  OMG   5          3HM2      OMG   5   8.517  -3.215  -0.729
   51   1H5*  OMG   5          1H5*      OMG   5   4.939  -4.774  -6.320
   52   2H5*  OMG   5          2H5*      OMG   5   3.943  -4.784  -4.852
   53    H8   OMG   5           H8       OMG   5   3.401  -2.192  -3.640
   54    HN1  OMG   5           HN1      OMG   5   4.075  -0.259   2.439
   55   1HN2  OMG   5          1HN2      OMG   5   6.176  -0.372   3.049
   56   2HN2  OMG   5          2HN2      OMG   5   7.435  -0.922   1.967
   57    H1*  OMG   6           H1*      OMG   6   6.150  -3.589   2.845
   58    H2*  OMG   6           H2*      OMG   6   4.801  -6.032   3.249
   59    H3*  OMG   6           H3*      OMG   6   5.484  -7.016   1.166
   60    H4*  OMG   6           H4*      OMG   6   8.233  -5.871   1.591
   61   1HM2  OMG   6          1HM2      OMG   6   6.475  -3.919   4.996
   62   2HM2  OMG   6          2HM2      OMG   6   5.227  -5.133   5.264
   63   3HM2  OMG   6          3HM2      OMG   6   6.818  -5.325   6.000
   64   1H5*  OMG   6          1H5*      OMG   6   8.020  -5.359  -0.891
   65   2H5*  OMG   6          2H5*      OMG   6   8.177  -7.058  -0.404
   66    H8   OMG   6           H8       OMG   6   4.556  -4.663  -0.367
   67    HN1  OMG   6           HN1      OMG   6   0.532  -1.803   3.728
   68   1HN2  OMG   6          1HN2      OMG   6   1.461  -1.600   5.695
   69   2HN2  OMG   6          2HN2      OMG   6   3.081  -2.168   6.027
   70   1H5*    C   7          1H5*        C   7   6.419  -8.159   5.142
   71   2H5*    C   7          2H5*        C   7   5.954  -9.861   5.334
   72    H4*    C   7           H4*        C   7   4.895  -8.582   7.042
   73    H3*    C   7           H3*        C   7   3.024  -9.622   4.935
   74    H2*    C   7           H2*        C   7   1.187  -8.566   6.064
   75   2HO*    C   7          2HO*        C   7   3.049  -8.541   8.181
   76    H1*    C   7           H1*        C   7   2.569  -6.184   6.688
   77   1H4     C   7          1H4         C   7  -0.512  -4.545   1.421
   78   2H4     C   7          2H4         C   7   0.576  -5.502   0.440
   79    H5     C   7           H5         C   7   2.303  -6.914   1.383
   80    H6     C   7           H6         C   7   3.348  -7.674   3.453
   81   1H5*    C   8          1H5*        C   8   1.157 -10.372   8.555
   82   2H5*    C   8          2H5*        C   8   0.942 -12.126   8.711
   83    H4*    C   8           H4*        C   8  -1.109 -11.263   9.333
   84    H3*    C   8           H3*        C   8  -1.189 -12.256   6.515
   85    H2*    C   8           H2*        C   8  -3.415 -11.426   6.225
   86   2HO*    C   8          2HO*        C   8  -3.660 -10.489   8.845
   87    H1*    C   8           H1*        C   8  -3.059  -9.003   7.588
   88   1H4     C   8          1H4         C   8  -1.993  -7.086   1.680
   89   2H4     C   8          2H4         C   8  -0.612  -8.148   1.509
   90    H5     C   8           H5         C   8   0.090  -9.680   3.254
   91    H6     C   8           H6         C   8  -0.424 -10.532   5.482
   92    HN1  PSU   9           HN1      PSU   9  -3.187  -9.764   2.095
   93    HN3  PSU   9           HN3      PSU   9  -6.575  -7.498   1.994
   94    H6   PSU   9           H6       PSU   9  -3.812 -10.696   4.209
   95    H1*  PSU   9           H1*      PSU   9  -6.020  -9.482   6.378
   96    H2*  PSU   9           H2*      PSU   9  -8.035 -10.465   4.674
   97   *HO2  PSU   9          *HO2      PSU   9  -8.931 -10.214   6.585
   98    H3*  PSU   9           H3*      PSU   9  -6.884 -12.543   4.239
   99    H4*  PSU   9           H4*      PSU   9  -6.273 -12.647   7.190
  100   1H5*  PSU   9          1H5*      PSU   9  -5.391 -14.575   6.359
  101   2H5*  PSU   9          2H5*      PSU   9  -5.054 -13.869   4.767
  102   1H5*    U  10          1H5*        U  10 -10.045 -16.882   3.703
  103   2H5*    U  10          2H5*        U  10  -8.434 -16.275   3.274
  104    H4*    U  10           H4*        U  10 -10.260 -15.799   1.629
  105    H3*    U  10           H3*        U  10  -8.093 -14.282   2.041
  106    H2*    U  10           H2*        U  10  -9.007 -12.831   3.741
  107   2HO*    U  10          2HO*        U  10  -9.926 -10.958   2.494
  108    H1*    U  10           H1*        U  10 -11.626 -12.685   2.148
  109    H3     U  10           H3         U  10 -13.949 -10.584   5.286
  110    H5     U  10           H5         U  10 -11.012 -12.568   7.538
  111    H6     U  10           H6         U  10 -10.149 -13.468   5.480
  112   1H5*    U  11          1H5*        U  11  -6.679 -11.080  -0.818
  113   2H5*    U  11          2H5*        U  11  -8.269 -11.342  -0.073
  114    H4*    U  11           H4*        U  11  -7.626 -12.350  -2.824
  115    H3*    U  11           H3*        U  11  -7.417  -9.703  -2.529
  116    H2*    U  11           H2*        U  11  -9.521  -9.292  -1.430
  117   2HO*    U  11          2HO*        U  11  -9.490  -8.852  -4.104
  118    H1*    U  11           H1*        U  11 -10.898 -11.262  -3.329
  119    H3     U  11           H3         U  11 -14.726 -11.395  -1.092
  120    H5     U  11           H5         U  11 -11.977 -10.343   1.904
  121    H6     U  11           H6         U  11 -10.243 -10.451   0.248
  122   1H5*    U  12          1H5*        U  12  -9.762  -7.123  -5.710
  123   2H5*    U  12          2H5*        U  12  -8.088  -6.641  -6.048
  124    H4*    U  12           H4*        U  12  -8.693  -4.760  -5.017
  125    H3*    U  12           H3*        U  12  -7.212  -6.139  -3.269
  126    H2*    U  12           H2*        U  12  -8.988  -7.277  -2.110
  127   2HO*    U  12          2HO*        U  12  -7.903  -5.279  -0.833
  128    H1*    U  12           H1*        U  12 -10.658  -4.709  -2.153
  129    H3     U  12           H3         U  12 -13.292  -7.546   0.325
  130    H5     U  12           H5         U  12 -13.605  -8.796  -3.673
  131    H6     U  12           H6         U  12 -11.783  -7.313  -4.198
  132    H1*  OMG  13           H1*      OMG  13  -9.499  -4.082   3.106
  133    H2*  OMG  13           H2*      OMG  13  -8.274  -1.615   2.920
  134    H3*  OMG  13           H3*      OMG  13  -8.706  -1.309   0.566
  135    H4*  OMG  13           H4*      OMG  13 -11.574  -2.066   0.984
  136   1HM2  OMG  13          1HM2      OMG  13 -10.778  -3.299   4.717
  137   2HM2  OMG  13          2HM2      OMG  13 -10.601  -1.746   5.529
  138   3HM2  OMG  13          3HM2      OMG  13  -9.174  -2.619   4.975
  139   1H5*  OMG  13          1H5*      OMG  13 -11.548  -3.001  -1.143
  140   2H5*  OMG  13          2H5*      OMG  13 -10.551  -1.541  -1.283
  141    H8   OMG  13           H8       OMG  13  -7.890  -3.196  -0.275
  142    HN1  OMG  13           HN1      OMG  13  -4.262  -6.583   3.785
  143   1HN2  OMG  13          1HN2      OMG  13  -5.254  -6.780   5.718
  144   2HN2  OMG  13          2HN2      OMG  13  -6.827  -6.085   6.035
  145   1H5*    G  14          1H5*        G  14  -9.903   0.374   4.051
  146   2H5*    G  14          2H5*        G  14  -9.291   2.028   4.248
  147    H4*    G  14           H4*        G  14  -8.617   0.606   6.096
  148    H3*    G  14           H3*        G  14  -6.387   1.627   4.343
  149    H2*    G  14           H2*        G  14  -4.835   0.530   5.814
  150   2HO*    G  14          2HO*        G  14  -7.114   0.227   7.512
  151    H1*    G  14           H1*        G  14  -6.424  -1.793   6.162
  152    H8     G  14           H8         G  14  -6.338  -0.680   2.568
  153    H1     G  14           H1         G  14  -1.312  -4.246   4.353
  154   1H2     G  14          1H2         G  14  -1.285  -4.492   6.528
  155   2H2     G  14          2H2         G  14  -2.506  -3.790   7.565
  156   1H5*    C  15          1H5*        C  15  -5.181   1.652   8.087
  157   2H5*    C  15          2H5*        C  15  -5.129   3.335   8.647
  158    H4*    C  15           H4*        C  15  -3.243   2.559   9.616
  159    H3*    C  15           H3*        C  15  -2.410   3.611   6.935
  160    H2*    C  15           H2*        C  15  -0.174   2.800   7.302
  161   2HO*    C  15          2HO*        C  15   0.432   1.971   9.341
  162    H1*    C  15           H1*        C  15  -0.903   0.306   8.274
  163   1H4     C  15          1H4         C  15  -0.490  -0.871   2.069
  164   2H4     C  15          2H4         C  15  -1.908   0.093   1.741
  165    H5     C  15           H5         C  15  -3.091   1.328   3.455
  166    H6     C  15           H6         C  15  -3.143   1.896   5.826
  167   1H5*    U  16          1H5*        U  16   1.440   4.756   9.406
  168   2H5*    U  16          2H5*        U  16   2.160   5.450   7.941
  169    H4*    U  16           H4*        U  16   2.331   2.789   8.965
  170    H3*    U  16           H3*        U  16   3.665   4.294   6.736
  171    H2*    U  16           H2*        U  16   4.344   2.229   5.740
  172   2HO*    U  16          2HO*        U  16   3.546   0.324   7.337
  173    H1*    U  16           H1*        U  16   1.981   0.787   6.376
  174    H3     U  16           H3         U  16   2.931   1.495   1.816
  175    H5     U  16           H5         U  16  -0.185   4.043   3.032
  176    H6     U  16           H6         U  16   0.356   3.487   5.307
  177   1H5*    A  17          1H5*        A  17   6.126   5.734   5.458
  178   2H5*    A  17          2H5*        A  17   5.459   4.090   5.476
  179    H4*    A  17           H4*        A  17   8.325   4.046   5.756
  180    H3*    A  17           H3*        A  17   7.312   5.786   3.550
  181    H2*    A  17           H2*        A  17   8.734   4.675   1.954
  182   2HO*    A  17          2HO*        A  17   9.881   2.731   3.303
  183    H1*    A  17           H1*        A  17   8.112   2.096   2.731
  184    H8     A  17           H8         A  17   4.864   3.462   3.460
  185   1H6     A  17          1H6         A  17   3.654   3.782  -2.605
  186   2H6     A  17          2H6         A  17   2.965   3.852  -0.998
  187    H2     A  17           H2         A  17   8.057   3.103  -2.099
  188   1H5*    A  18          1H5*        A  18  11.004   4.981   2.553
  189   2H5*    A  18          2H5*        A  18  11.962   6.474   2.503
  190    H4*    A  18           H4*        A  18  12.325   5.209   0.499
  191    H3*    A  18           H3*        A  18  10.863   7.806   0.155
  192    H2*    A  18           H2*        A  18  10.696   7.382  -2.213
  193   2HO*    A  18          2HO*        A  18  12.364   5.121  -1.676
  194    H1*    A  18           H1*        A  18   9.892   4.728  -1.960
  195    H8     A  18           H8         A  18   8.541   6.943   0.828
  196   1H6     A  18          1H6         A  18   3.621   7.820  -2.829
  197   2H6     A  18          2H6         A  18   4.297   8.107  -1.241
  198    H2     A  18           H2         A  18   6.706   5.557  -5.165
  199    H1*  OMG  19           H1*      OMG  19  10.247   9.174  -5.494
  200    H2*  OMG  19           H2*      OMG  19  10.359  11.912  -4.860
  201    H3*  OMG  19           H3*      OMG  19  11.940  11.671  -3.063
  202    H4*  OMG  19           H4*      OMG  19  13.492   9.725  -4.749
  203   1HM2  OMG  19          1HM2      OMG  19  10.843  11.360  -8.238
  204   2HM2  OMG  19          2HM2      OMG  19  10.626   9.739  -7.583
  205   3HM2  OMG  19          3HM2      OMG  19   9.629  11.068  -6.995
  206   1H5*  OMG  19          1H5*      OMG  19  13.913   8.524  -2.692
  207   2H5*  OMG  19          2H5*      OMG  19  14.373  10.231  -2.535
  208    H8   OMG  19           H8       OMG  19  10.398   9.510  -1.777
  209    HN1  OMG  19           HN1      OMG  19   4.550  10.475  -4.228
  210   1HN2  OMG  19          1HN2      OMG  19   4.655  10.676  -6.405
  211   2HN2  OMG  19          2HN2      OMG  19   6.165  10.571  -7.280
  212   1H5*    A  20          1H5*        A  20  11.448  13.120  -6.956
  213   2H5*    A  20          2H5*        A  20  11.813  14.853  -6.832
  214    H4*    A  20           H4*        A  20   9.564  14.387  -7.720
  215    H3*    A  20           H3*        A  20   9.839  15.987  -5.194
  216    H2*    A  20           H2*        A  20   7.479  16.077  -4.963
  217   2HO*    A  20          2HO*        A  20   7.209  15.142  -7.640
  218    H1*    A  20           H1*        A  20   6.949  13.541  -6.250
  219    H8     A  20           H8         A  20   9.322  13.456  -3.302
  220   1H6     A  20          1H6         A  20   4.321  12.462   0.209
  221   2H6     A  20          2H6         A  20   6.070  12.513   0.184
  222    H2     A  20           H2         A  20   2.932  13.442  -3.937
  223    H3T    A  20           H3T        A  20   9.493  17.597  -6.535
  Start of MODEL   18
    1    HN1  PSU   1           HN1      PSU   1   1.384  11.803   0.937
    2    HN3  PSU   1           HN3      PSU   1   3.390  13.486  -2.191
    3    H6   PSU   1           H6       PSU   1  -0.698  12.691   0.144
    4    H1*  PSU   1           H1*      PSU   1  -1.063  15.270  -2.012
    5    H2*  PSU   1           H2*      PSU   1  -0.584  13.438  -4.027
    6   *HO2  PSU   1          *HO2      PSU   1  -2.260  14.480  -5.015
    7    H3*  PSU   1           H3*      PSU   1  -1.624  11.552  -2.952
    8    H4*  PSU   1           H4*      PSU   1  -3.984  13.200  -2.164
    9   1H5*  PSU   1          1H5*      PSU   1  -3.723  12.081   0.029
   10   2H5*  PSU   1          2H5*      PSU   1  -3.970  10.978  -1.338
   11    H5T  PSU   1           H5T      PSU   1  -2.252  10.068  -0.511
   12   1H5*    C   2          1H5*        C   2  -2.261  13.311  -6.756
   13   2H5*    C   2          2H5*        C   2  -2.897  11.944  -7.692
   14    H4*    C   2           H4*        C   2  -1.279  12.818  -9.076
   15    H3*    C   2           H3*        C   2  -0.247  10.427  -7.625
   16    H2*    C   2           H2*        C   2   1.980  10.774  -8.453
   17   2HO*    C   2          2HO*        C   2   1.132  13.016  -9.959
   18    H1*    C   2           H1*        C   2   2.090  13.506  -8.012
   19   1H4     C   2          1H4         C   2   4.174  11.208  -2.488
   20   2H4     C   2          2H4         C   2   2.532  10.913  -1.964
   21    H5     C   2           H5         C   2   0.612  11.245  -3.397
   22    H6     C   2           H6         C   2  -0.120  11.890  -5.631
   23   1H5*    U   3          1H5*        U   3   1.570   9.516 -11.113
   24   2H5*    U   3          2H5*        U   3   0.529   8.289 -11.863
   25    H4*    U   3           H4*        U   3   2.542   7.309 -12.167
   26    H3*    U   3           H3*        U   3   1.477   6.305  -9.563
   27    H2*    U   3           H2*        U   3   3.552   5.198  -9.069
   28   2HO*    U   3          2HO*        U   3   4.413   4.363 -10.851
   29    H1*    U   3           H1*        U   3   5.220   7.284  -9.793
   30    H3     U   3           H3         U   3   5.405   7.821  -5.359
   31    H5     U   3           H5         U   3   1.456   8.906  -6.295
   32    H6     U   3           H6         U   3   1.885   8.216  -8.560
   33   1H5*    C   4          1H5*        C   4   3.519   2.621 -11.024
   34   2H5*    C   4          2H5*        C   4   2.301   1.417 -10.560
   35    H4*    C   4           H4*        C   4   4.552   1.092  -9.546
   36    H3*    C   4           H3*        C   4   2.106   1.331  -7.825
   37    H2*    C   4           H2*        C   4   3.483   1.060  -5.863
   38   2HO*    C   4          2HO*        C   4   5.810   0.921  -7.471
   39    H1*    C   4           H1*        C   4   5.386   2.915  -6.649
   40   1H4     C   4          1H4         C   4   1.101   6.487  -3.632
   41   2H4     C   4          2H4         C   4   0.115   6.562  -5.075
   42    H5     C   4           H5         C   4   0.637   5.322  -7.090
   43    H6     C   4           H6         C   4   2.195   3.752  -8.118
   44    H1*  OMG   5           H1*      OMG   5   6.746  -0.547  -2.962
   45    H2*  OMG   5           H2*      OMG   5   6.170  -2.979  -1.804
   46    H3*  OMG   5           H3*      OMG   5   4.773  -3.799  -3.589
   47    H4*  OMG   5           H4*      OMG   5   6.802  -2.996  -5.629
   48   1HM2  OMG   5          1HM2      OMG   5   8.755  -1.093  -2.122
   49   2HM2  OMG   5          2HM2      OMG   5   9.622  -2.600  -1.836
   50   3HM2  OMG   5          3HM2      OMG   5   8.121  -2.269  -0.974
   51   1H5*  OMG   5          1H5*      OMG   5   5.036  -3.554  -6.872
   52   2H5*  OMG   5          2H5*      OMG   5   3.889  -3.297  -5.542
   53    H8   OMG   5           H8       OMG   5   3.470  -0.790  -4.390
   54    HN1  OMG   5           HN1      OMG   5   3.118  -0.160   1.983
   55   1HN2  OMG   5          1HN2      OMG   5   5.070  -0.548   2.900
   56   2HN2  OMG   5          2HN2      OMG   5   6.480  -0.970   1.953
   57    H1*  OMG   6           H1*      OMG   6   5.822  -3.014   2.189
   58    H2*  OMG   6           H2*      OMG   6   4.529  -5.475   2.571
   59    H3*  OMG   6           H3*      OMG   6   5.131  -6.376   0.420
   60    H4*  OMG   6           H4*      OMG   6   7.904  -5.280   0.831
   61   1HM2  OMG   6          1HM2      OMG   6   5.038  -4.534   4.555
   62   2HM2  OMG   6          2HM2      OMG   6   6.626  -4.834   5.259
   63   3HM2  OMG   6          3HM2      OMG   6   6.351  -3.388   4.291
   64   1H5*  OMG   6          1H5*      OMG   6   7.644  -4.668  -1.629
   65   2H5*  OMG   6          2H5*      OMG   6   7.816  -6.383  -1.207
   66    H8   OMG   6           H8       OMG   6   4.298  -3.835  -1.083
   67    HN1  OMG   6           HN1      OMG   6   0.045  -1.717   3.227
   68   1HN2  OMG   6          1HN2      OMG   6   0.930  -1.693   5.226
   69   2HN2  OMG   6          2HN2      OMG   6   2.576  -2.200   5.525
   70   1H5*    C   7          1H5*        C   7   6.280  -8.275   4.203
   71   2H5*    C   7          2H5*        C   7   5.552  -9.893   4.193
   72    H4*    C   7           H4*        C   7   4.836  -8.570   6.114
   73    H3*    C   7           H3*        C   7   2.724  -9.425   4.155
   74    H2*    C   7           H2*        C   7   1.069  -8.308   5.502
   75   2HO*    C   7          2HO*        C   7   3.165  -7.848   7.393
   76    H1*    C   7           H1*        C   7   2.590  -6.003   5.954
   77   1H4     C   7          1H4         C   7  -0.965  -4.630   0.879
   78   2H4     C   7          2H4         C   7   0.219  -5.381  -0.166
   79    H5     C   7           H5         C   7   2.154  -6.570   0.679
   80    H6     C   7           H6         C   7   3.324  -7.297   2.692
   81   1H5*    C   8          1H5*        C   8   1.683 -10.776   8.153
   82   2H5*    C   8          2H5*        C   8   1.062 -12.439   8.107
   83    H4*    C   8           H4*        C   8  -0.350 -10.919   9.415
   84    H3*    C   8           H3*        C   8  -1.478 -12.391   7.078
   85    H2*    C   8           H2*        C   8  -3.573 -11.229   7.262
   86   2HO*    C   8          2HO*        C   8  -3.630  -9.599   9.112
   87    H1*    C   8           H1*        C   8  -2.529  -8.698   7.601
   88   1H4     C   8          1H4         C   8  -3.018  -9.404   1.294
   89   2H4     C   8          2H4         C   8  -1.339  -9.892   1.241
   90    H5     C   8           H5         C   8  -0.014 -10.269   3.232
   91    H6     C   8           H6         C   8  -0.018 -10.209   5.670
   92    HN1  PSU   9           HN1      PSU   9  -2.878 -12.461   3.753
   93    HN3  PSU   9           HN3      PSU   9  -5.669 -10.749   1.317
   94    H6   PSU   9           H6       PSU   9  -4.387 -12.387   5.613
   95    H1*  PSU   9           H1*      PSU   9  -7.628 -10.663   5.453
   96    H2*  PSU   9           H2*      PSU   9  -7.548 -13.452   5.021
   97   *HO2  PSU   9          *HO2      PSU   9  -9.188 -13.274   6.888
   98    H3*  PSU   9           H3*      PSU   9  -5.843 -13.833   6.689
   99    H4*  PSU   9           H4*      PSU   9  -7.349 -11.919   8.465
  100   1H5*  PSU   9          1H5*      PSU   9  -4.953 -11.204   9.048
  101   2H5*  PSU   9          2H5*      PSU   9  -5.564 -12.747   9.674
  102   1H5*    U  10          1H5*        U  10  -9.516 -16.576   4.927
  103   2H5*    U  10          2H5*        U  10  -8.882 -15.172   4.046
  104    H4*    U  10           H4*        U  10 -11.361 -15.859   3.773
  105    H3*    U  10           H3*        U  10 -10.216 -13.562   3.097
  106    H2*    U  10           H2*        U  10 -10.275 -12.502   5.275
  107   2HO*    U  10          2HO*        U  10 -12.512 -11.892   3.685
  108    H1*    U  10           H1*        U  10 -13.160 -13.473   5.640
  109    H3     U  10           H3         U  10 -12.730 -11.034   9.464
  110    H5     U  10           H5         U  10 -10.100 -14.278   9.906
  111    H6     U  10           H6         U  10 -10.509 -14.824   7.598
  112   1H5*    U  11          1H5*        U  11 -11.786 -11.656   1.403
  113   2H5*    U  11          2H5*        U  11 -13.341 -12.096   0.672
  114    H4*    U  11           H4*        U  11 -12.667 -10.487  -0.776
  115    H3*    U  11           H3*        U  11 -12.725 -12.804  -2.023
  116    H2*    U  11           H2*        U  11 -10.500 -13.584  -1.529
  117   2HO*    U  11          2HO*        U  11 -10.315 -11.953  -3.869
  118    H1*    U  11           H1*        U  11  -9.276 -10.862  -2.135
  119    H3     U  11           H3         U  11  -5.407 -12.483  -0.621
  120    H5     U  11           H5         U  11  -8.139 -13.604   2.368
  121    H6     U  11           H6         U  11  -9.892 -12.695   0.999
  122   1H5*    U  12          1H5*        U  12 -14.126  -7.265  -3.531
  123   2H5*    U  12          2H5*        U  12 -13.050  -8.178  -4.607
  124    H4*    U  12           H4*        U  12 -12.058  -6.065  -4.001
  125    H3*    U  12           H3*        U  12 -10.594  -8.240  -4.089
  126    H2*    U  12           H2*        U  12 -10.889  -9.143  -1.914
  127   2HO*    U  12          2HO*        U  12  -8.614  -8.167  -2.194
  128    H1*    U  12           H1*        U  12 -10.804  -6.520  -0.444
  129    H3     U  12           H3         U  12 -15.409  -8.629   0.361
  130    H5     U  12           H5         U  12 -12.091  -9.855   2.624
  131    H6     U  12           H6         U  12 -10.691  -8.635   1.094
  132    H1*  OMG  13           H1*      OMG  13 -10.168  -5.885   2.744
  133    H2*  OMG  13           H2*      OMG  13  -8.723  -3.542   2.538
  134    H3*  OMG  13           H3*      OMG  13  -9.231  -3.130   0.216
  135    H4*  OMG  13           H4*      OMG  13 -12.133  -3.663   0.719
  136   1HM2  OMG  13          1HM2      OMG  13  -9.580  -4.461   4.620
  137   2HM2  OMG  13          2HM2      OMG  13 -11.242  -5.022   4.455
  138   3HM2  OMG  13          3HM2      OMG  13 -10.904  -3.491   5.257
  139   1H5*  OMG  13          1H5*      OMG  13 -12.255  -4.563  -1.415
  140   2H5*  OMG  13          2H5*      OMG  13 -11.121  -3.206  -1.576
  141    H8   OMG  13           H8       OMG  13  -8.867  -5.573  -0.790
  142    HN1  OMG  13           HN1      OMG  13  -4.705  -8.038   3.415
  143   1HN2  OMG  13          1HN2      OMG  13  -5.440  -7.797   5.455
  144   2HN2  OMG  13          2HN2      OMG  13  -6.975  -7.034   5.807
  145   1H5*    G  14          1H5*        G  14 -10.500  -1.067   3.521
  146   2H5*    G  14          2H5*        G  14  -9.915   0.601   3.680
  147    H4*    G  14           H4*        G  14  -9.480  -0.708   5.683
  148    H3*    G  14           H3*        G  14  -7.122   0.358   4.165
  149    H2*    G  14           H2*        G  14  -5.637  -0.689   5.744
  150   2HO*    G  14          2HO*        G  14  -7.758  -0.392   7.359
  151    H1*    G  14           H1*        G  14  -6.996  -3.125   5.849
  152    H8     G  14           H8         G  14  -7.246  -1.927   2.331
  153    H1     G  14           H1         G  14  -1.589  -4.606   3.729
  154   1H2     G  14          1H2         G  14  -1.388  -4.882   5.894
  155   2H2     G  14          2H2         G  14  -2.643  -4.411   7.017
  156   1H5*    C  15          1H5*        C  15  -6.039   0.429   7.848
  157   2H5*    C  15          2H5*        C  15  -6.223   2.084   8.463
  158    H4*    C  15           H4*        C  15  -4.296   1.514   9.496
  159    H3*    C  15           H3*        C  15  -3.524   2.784   6.901
  160    H2*    C  15           H2*        C  15  -1.210   2.228   7.270
  161   2HO*    C  15          2HO*        C  15  -0.874   2.515   9.419
  162    H1*    C  15           H1*        C  15  -1.633  -0.393   8.009
  163   1H4     C  15          1H4         C  15  -1.308  -0.926   1.708
  164   2H4     C  15          2H4         C  15  -2.889  -0.206   1.520
  165    H5     C  15           H5         C  15  -4.175   0.656   3.384
  166    H6     C  15           H6         C  15  -4.198   1.004   5.798
  167   1H5*    U  16          1H5*        U  16   0.967   4.927   8.521
  168   2H5*    U  16          2H5*        U  16   0.044   4.610   7.040
  169    H4*    U  16           H4*        U  16   1.351   2.487   8.734
  170    H3*    U  16           H3*        U  16   2.476   3.996   6.400
  171    H2*    U  16           H2*        U  16   3.376   1.961   5.505
  172   2HO*    U  16          2HO*        U  16   2.654   0.847   8.040
  173    H1*    U  16           H1*        U  16   1.134   0.363   6.069
  174    H3     U  16           H3         U  16   2.118   1.748   1.587
  175    H5     U  16           H5         U  16  -1.572   3.263   2.911
  176    H6     U  16           H6         U  16  -0.945   2.622   5.142
  177   1H5*    A  17          1H5*        A  17   6.085   4.710   6.133
  178   2H5*    A  17          2H5*        A  17   4.903   4.429   4.840
  179    H4*    A  17           H4*        A  17   7.612   3.157   5.172
  180    H3*    A  17           H3*        A  17   6.603   5.291   3.357
  181    H2*    A  17           H2*        A  17   7.675   4.304   1.445
  182   2HO*    A  17          2HO*        A  17   9.615   3.666   2.504
  183    H1*    A  17           H1*        A  17   6.869   1.710   1.907
  184    H8     A  17           H8         A  17   3.910   3.237   3.281
  185   1H6     A  17          1H6         A  17   2.045   4.715  -2.437
  186   2H6     A  17          2H6         A  17   1.560   4.571  -0.762
  187    H2     A  17           H2         A  17   6.367   3.539  -2.644
  188   1H5*    A  18          1H5*        A  18  11.429   5.368   2.917
  189   2H5*    A  18          2H5*        A  18  11.559   7.131   2.770
  190    H4*    A  18           H4*        A  18  12.737   5.723   1.023
  191    H3*    A  18           H3*        A  18  10.967   8.049   0.377
  192    H2*    A  18           H2*        A  18  11.235   7.620  -1.982
  193   2HO*    A  18          2HO*        A  18  12.617   5.514  -2.311
  194    H1*    A  18           H1*        A  18  10.762   4.899  -1.835
  195    H8     A  18           H8         A  18   8.640   6.255   0.884
  196   1H6     A  18          1H6         A  18   4.416   7.669  -3.414
  197   2H6     A  18          2H6         A  18   4.724   7.516  -1.700
  198    H2     A  18           H2         A  18   8.239   6.617  -5.513
  199    H1*  OMG  19           H1*      OMG  19  11.105   9.678  -5.214
  200    H2*  OMG  19           H2*      OMG  19  11.089  12.403  -4.662
  201    H3*  OMG  19           H3*      OMG  19  12.335  12.235  -2.604
  202    H4*  OMG  19           H4*      OMG  19  14.296  10.411  -3.959
  203   1HM2  OMG  19          1HM2      OMG  19  10.769  11.505  -6.866
  204   2HM2  OMG  19          2HM2      OMG  19  12.175  11.770  -7.895
  205   3HM2  OMG  19          3HM2      OMG  19  11.871  10.175  -7.212
  206   1H5*  OMG  19          1H5*      OMG  19  14.369   9.198  -1.872
  207   2H5*  OMG  19          2H5*      OMG  19  14.656  10.929  -1.605
  208    H8   OMG  19           H8       OMG  19  10.922   9.735  -1.539
  209    HN1  OMG  19           HN1      OMG  19   5.360  11.315  -4.318
  210   1HN2  OMG  19          1HN2      OMG  19   5.659  11.729  -6.447
  211   2HN2  OMG  19          2HN2      OMG  19   7.230  11.619  -7.209
  212   1H5*    A  20          1H5*        A  20  13.362  15.197  -5.846
  213   2H5*    A  20          2H5*        A  20  13.523  16.641  -4.829
  214    H4*    A  20           H4*        A  20  11.839  16.921  -6.569
  215    H3*    A  20           H3*        A  20  10.947  17.054  -3.708
  216    H2*    A  20           H2*        A  20   8.682  17.436  -4.453
  217   2HO*    A  20          2HO*        A  20   8.252  17.661  -6.703
  218    H1*    A  20           H1*        A  20   8.674  15.367  -6.290
  219    H8     A  20           H8         A  20  10.926  14.265  -3.507
  220   1H6     A  20          1H6         A  20   5.822  12.420  -0.524
  221   2H6     A  20          2H6         A  20   7.571  12.379  -0.534
  222    H2     A  20           H2         A  20   4.557  14.824  -4.089
  223    H3T    A  20           H3T        A  20  12.194  18.642  -5.167
  Start of MODEL   19
    1    HN1  PSU   1           HN1      PSU   1   1.301  11.579   2.088
    2    HN3  PSU   1           HN3      PSU   1   3.520  12.880  -1.080
    3    H6   PSU   1           H6       PSU   1  -0.733  12.181   0.973
    4    H1*  PSU   1           H1*      PSU   1  -0.800  14.153  -2.078
    5    H2*  PSU   1           H2*      PSU   1  -0.833  11.401  -2.567
    6   *HO2  PSU   1          *HO2      PSU   1  -1.568  12.981  -4.030
    7    H3*  PSU   1           H3*      PSU   1  -2.138  10.815  -0.638
    8    H4*  PSU   1           H4*      PSU   1  -3.961  13.138  -1.164
    9   1H5*  PSU   1          1H5*      PSU   1  -3.895  13.444   1.283
   10   2H5*  PSU   1          2H5*      PSU   1  -4.491  11.854   0.774
   11    H5T  PSU   1           H5T      PSU   1  -3.017  11.534   2.403
   12   1H5*    C   2          1H5*        C   2  -3.612  11.375  -5.058
   13   2H5*    C   2          2H5*        C   2  -4.049   9.697  -5.434
   14    H4*    C   2           H4*        C   2  -2.867  10.734  -7.276
   15    H3*    C   2           H3*        C   2  -1.630   8.373  -5.936
   16    H2*    C   2           H2*        C   2   0.372   8.581  -7.250
   17   2HO*    C   2          2HO*        C   2   0.078  10.695  -8.738
   18    H1*    C   2           H1*        C   2   0.677  11.316  -6.964
   19   1H4     C   2          1H4         C   2   3.730   9.279  -1.812
   20   2H4     C   2          2H4         C   2   2.226   8.831  -1.042
   21    H5     C   2           H5         C   2   0.080   8.999  -2.147
   22    H6     C   2           H6         C   2  -1.054   9.605  -4.217
   23   1H5*    U   3          1H5*        U   3  -0.996   7.364  -9.996
   24   2H5*    U   3          2H5*        U   3  -2.155   6.054 -10.298
   25    H4*    U   3           H4*        U   3  -0.324   5.164 -11.276
   26    H3*    U   3           H3*        U   3  -0.313   4.228  -8.440
   27    H2*    U   3           H2*        U   3   1.862   3.235  -8.725
   28   2HO*    U   3          2HO*        U   3   2.462   3.995 -11.238
   29    H1*    U   3           H1*        U   3   3.025   5.401  -9.971
   30    H3     U   3           H3         U   3   4.591   6.066  -5.816
   31    H5     U   3           H5         U   3   0.515   7.022  -5.499
   32    H6     U   3           H6         U   3   0.233   6.250  -7.759
   33   1H5*    C   4          1H5*        C   4   2.835   1.720 -10.215
   34   2H5*    C   4          2H5*        C   4   2.200   0.063 -10.235
   35    H4*    C   4           H4*        C   4   4.060   0.246  -8.708
   36    H3*    C   4           H3*        C   4   1.384  -0.328  -7.464
   37    H2*    C   4           H2*        C   4   2.441  -0.376  -5.303
   38   2HO*    C   4          2HO*        C   4   4.425  -1.393  -6.473
   39    H1*    C   4           H1*        C   4   4.071   1.871  -5.747
   40   1H4     C   4          1H4         C   4  -0.940   4.367  -2.799
   41   2H4     C   4          2H4         C   4  -1.926   4.188  -4.233
   42    H5     C   4           H5         C   4  -1.130   3.104  -6.249
   43    H6     C   4           H6         C   4   0.766   1.975  -7.290
   44    H1*  OMG   5           H1*      OMG   5   6.828  -1.169  -3.011
   45    H2*  OMG   5           H2*      OMG   5   6.526  -3.407  -1.421
   46    H3*  OMG   5           H3*      OMG   5   5.049  -4.603  -2.898
   47    H4*  OMG   5           H4*      OMG   5   6.787  -3.994  -5.249
   48   1HM2  OMG   5          1HM2      OMG   5   8.916  -1.438  -2.322
   49   2HM2  OMG   5          2HM2      OMG   5   9.929  -2.812  -1.882
   50   3HM2  OMG   5          3HM2      OMG   5   8.496  -2.431  -0.928
   51   1H5*  OMG   5          1H5*      OMG   5   4.935  -4.914  -6.126
   52   2H5*  OMG   5          2H5*      OMG   5   3.901  -4.385  -4.785
   53    H8   OMG   5           H8       OMG   5   3.428  -1.872  -3.959
   54    HN1  OMG   5           HN1      OMG   5   3.763  -0.046   2.181
   55   1HN2  OMG   5          1HN2      OMG   5   5.831  -0.153   2.898
   56   2HN2  OMG   5          2HN2      OMG   5   7.150  -0.674   1.874
   57    H1*  OMG   6           H1*      OMG   6   6.179  -3.047   3.024
   58    H2*  OMG   6           H2*      OMG   6   5.018  -5.569   3.371
   59    H3*  OMG   6           H3*      OMG   6   5.766  -6.468   1.269
   60    H4*  OMG   6           H4*      OMG   6   8.468  -5.244   1.750
   61   1HM2  OMG   6          1HM2      OMG   6   5.388  -4.531   5.349
   62   2HM2  OMG   6          2HM2      OMG   6   6.939  -4.784   6.145
   63   3HM2  OMG   6          3HM2      OMG   6   6.688  -3.360   5.139
   64   1H5*  OMG   6          1H5*      OMG   6   8.213  -4.631  -0.719
   65   2H5*  OMG   6          2H5*      OMG   6   8.469  -6.334  -0.289
   66    H8   OMG   6           H8       OMG   6   4.852  -4.257  -0.275
   67    HN1  OMG   6           HN1      OMG   6   0.422  -1.644   3.559
   68   1HN2  OMG   6          1HN2      OMG   6   1.231  -1.345   5.568
   69   2HN2  OMG   6          2HN2      OMG   6   2.869  -1.787   5.990
   70   1H5*    C   7          1H5*        C   7   6.606  -7.662   5.280
   71   2H5*    C   7          2H5*        C   7   6.213  -9.390   5.372
   72    H4*    C   7           H4*        C   7   5.026  -8.243   7.090
   73    H3*    C   7           H3*        C   7   3.300  -9.279   4.862
   74    H2*    C   7           H2*        C   7   1.364  -8.356   5.948
   75   2HO*    C   7          2HO*        C   7   3.087  -7.693   8.131
   76    H1*    C   7           H1*        C   7   2.562  -5.917   6.651
   77   1H4     C   7          1H4         C   7  -0.210  -4.478   1.155
   78   2H4     C   7          2H4         C   7   1.024  -5.338   0.263
   79    H5     C   7           H5         C   7   2.772  -6.623   1.342
   80    H6     C   7           H6         C   7   3.696  -7.323   3.488
   81   1H5*    C   8          1H5*        C   8   1.717 -10.928   8.601
   82   2H5*    C   8          2H5*        C   8   1.097 -12.566   8.310
   83    H4*    C   8           H4*        C   8  -0.604 -11.193   9.318
   84    H3*    C   8           H3*        C   8  -1.097 -12.144   6.525
   85    H2*    C   8           H2*        C   8  -3.138 -10.893   6.412
   86   2HO*    C   8          2HO*        C   8  -2.806 -10.900   9.206
   87    H1*    C   8           H1*        C   8  -2.185  -8.580   7.637
   88   1H4     C   8          1H4         C   8  -1.271  -7.243   1.528
   89   2H4     C   8          2H4         C   8  -0.082  -8.515   1.366
   90    H5     C   8           H5         C   8   0.531  -9.986   3.191
   91    H6     C   8           H6         C   8   0.071 -10.580   5.512
   92    HN1  PSU   9           HN1      PSU   9  -2.953  -9.644   3.591
   93    HN3  PSU   9           HN3      PSU   9  -5.553 -11.290   0.943
   94    H6   PSU   9           H6       PSU   9  -4.583  -9.717   5.339
   95    H1*  PSU   9           H1*      PSU   9  -7.754  -9.892   5.138
   96    H2*  PSU   9           H2*      PSU   9  -7.775 -12.545   4.260
   97   *HO2  PSU   9          *HO2      PSU   9  -8.986 -11.798   6.718
   98    H3*  PSU   9           H3*      PSU   9  -5.988 -13.240   5.742
   99    H4*  PSU   9           H4*      PSU   9  -7.404 -11.775   7.955
  100   1H5*  PSU   9          1H5*      PSU   9  -5.008 -11.140   8.560
  101   2H5*  PSU   9          2H5*      PSU   9  -5.518 -12.821   8.809
  102   1H5*    U  10          1H5*        U  10  -9.865 -15.692   3.644
  103   2H5*    U  10          2H5*        U  10  -8.983 -14.282   3.027
  104    H4*    U  10           H4*        U  10 -11.558 -14.583   2.630
  105    H3*    U  10           H3*        U  10  -9.968 -12.448   2.216
  106    H2*    U  10           H2*        U  10 -10.136 -11.498   4.434
  107   2HO*    U  10          2HO*        U  10 -11.679 -10.387   2.545
  108    H1*    U  10           H1*        U  10 -13.129 -12.207   4.398
  109    H3     U  10           H3         U  10 -13.519 -10.211   8.396
  110    H5     U  10           H5         U  10 -10.327 -12.886   8.940
  111    H6     U  10           H6         U  10 -10.437 -13.376   6.585
  112   1H5*    U  11          1H5*        U  11 -11.804 -10.607  -0.202
  113   2H5*    U  11          2H5*        U  11 -13.562 -10.456  -0.386
  114    H4*    U  11           H4*        U  11 -13.426 -10.140  -2.562
  115    H3*    U  11           H3*        U  11 -12.639 -12.681  -2.758
  116    H2*    U  11           H2*        U  11 -10.308 -12.390  -2.282
  117   2HO*    U  11          2HO*        U  11  -9.239 -12.165  -4.391
  118    H1*    U  11           H1*        U  11 -10.242  -9.874  -4.024
  119    H3     U  11           H3         U  11  -6.130  -8.768  -2.768
  120    H5     U  11           H5         U  11  -7.639 -10.666   0.661
  121    H6     U  11           H6         U  11  -9.686 -11.041  -0.540
  122   1H5*    U  12          1H5*        U  12 -12.189  -7.930  -6.075
  123   2H5*    U  12          2H5*        U  12 -10.545  -8.381  -5.584
  124    H4*    U  12           H4*        U  12 -11.703  -6.008  -5.067
  125    H3*    U  12           H3*        U  12  -9.255  -7.069  -4.421
  126    H2*    U  12           H2*        U  12  -9.880  -7.962  -2.273
  127   2HO*    U  12          2HO*        U  12  -8.362  -6.330  -1.782
  128    H1*    U  12           H1*        U  12 -11.716  -5.510  -1.942
  129    H3     U  12           H3         U  12 -14.924  -8.219   0.339
  130    H5     U  12           H5         U  12 -11.059  -8.868   1.850
  131    H6     U  12           H6         U  12 -10.196  -7.691  -0.062
  132    H1*  OMG  13           H1*      OMG  13  -8.578  -4.903   1.876
  133    H2*  OMG  13           H2*      OMG  13  -7.495  -2.369   1.854
  134    H3*  OMG  13           H3*      OMG  13  -7.896  -1.913  -0.472
  135    H4*  OMG  13           H4*      OMG  13 -10.705  -2.894  -0.269
  136   1HM2  OMG  13          1HM2      OMG  13  -9.857  -4.277   3.555
  137   2HM2  OMG  13          2HM2      OMG  13  -9.823  -2.738   4.410
  138   3HM2  OMG  13          3HM2      OMG  13  -8.321  -3.462   3.840
  139   1H5*  OMG  13          1H5*      OMG  13 -10.407  -3.822  -2.419
  140   2H5*  OMG  13          2H5*      OMG  13  -9.663  -2.211  -2.432
  141    H8   OMG  13           H8       OMG  13  -6.990  -3.834  -1.450
  142    HN1  OMG  13           HN1      OMG  13  -3.160  -6.987   2.611
  143   1HN2  OMG  13          1HN2      OMG  13  -4.152  -7.279   4.531
  144   2HN2  OMG  13          2HN2      OMG  13  -5.776  -6.705   4.837
  145   1H5*    G  14          1H5*        G  14  -9.789  -0.267   3.112
  146   2H5*    G  14          2H5*        G  14  -9.266   1.421   3.263
  147    H4*    G  14           H4*        G  14  -8.899   0.164   5.317
  148    H3*    G  14           H3*        G  14  -6.463   1.234   3.913
  149    H2*    G  14           H2*        G  14  -5.110   0.320   5.688
  150   2HO*    G  14          2HO*        G  14  -7.142   0.815   7.178
  151    H1*    G  14           H1*        G  14  -6.449  -2.137   5.788
  152    H8     G  14           H8         G  14  -6.084  -0.765   2.268
  153    H1     G  14           H1         G  14  -1.113  -4.250   4.339
  154   1H2     G  14          1H2         G  14  -1.316  -4.676   6.477
  155   2H2     G  14          2H2         G  14  -2.682  -4.115   7.416
  156   1H5*    C  15          1H5*        C  15  -5.678   1.732   7.751
  157   2H5*    C  15          2H5*        C  15  -5.639   3.471   8.104
  158    H4*    C  15           H4*        C  15  -3.763   2.756   9.181
  159    H3*    C  15           H3*        C  15  -2.926   3.679   6.452
  160    H2*    C  15           H2*        C  15  -0.668   2.977   6.912
  161   2HO*    C  15          2HO*        C  15  -1.470   2.189   9.523
  162    H1*    C  15           H1*        C  15  -1.342   0.512   7.999
  163   1H4     C  15          1H4         C  15  -0.750  -0.948   1.869
  164   2H4     C  15          2H4         C  15  -2.210  -0.075   1.471
  165    H5     C  15           H5         C  15  -3.479   1.187   3.100
  166    H6     C  15           H6         C  15  -3.599   1.871   5.438
  167   1H5*    U  16          1H5*        U  16   0.913   5.256   8.801
  168   2H5*    U  16          2H5*        U  16   1.538   5.785   7.227
  169    H4*    U  16           H4*        U  16   1.847   3.270   8.582
  170    H3*    U  16           H3*        U  16   3.148   4.607   6.233
  171    H2*    U  16           H2*        U  16   3.946   2.485   5.452
  172   2HO*    U  16          2HO*        U  16   3.176   1.603   8.055
  173    H1*    U  16           H1*        U  16   1.611   1.031   6.060
  174    H3     U  16           H3         U  16   2.638   1.704   1.510
  175    H5     U  16           H5         U  16  -0.630   4.113   2.610
  176    H6     U  16           H6         U  16  -0.112   3.625   4.906
  177   1H5*    A  17          1H5*        A  17   6.222   5.070   5.907
  178   2H5*    A  17          2H5*        A  17   5.136   4.339   4.711
  179    H4*    A  17           H4*        A  17   8.016   3.569   5.160
  180    H3*    A  17           H3*        A  17   6.841   5.561   3.271
  181    H2*    A  17           H2*        A  17   8.183   4.718   1.461
  182   2HO*    A  17          2HO*        A  17   9.487   2.670   2.406
  183    H1*    A  17           H1*        A  17   7.687   2.037   1.922
  184    H8     A  17           H8         A  17   4.442   3.212   2.973
  185   1H6     A  17          1H6         A  17   2.930   4.216  -2.946
  186   2H6     A  17          2H6         A  17   2.321   4.077  -1.313
  187    H2     A  17           H2         A  17   7.369   3.607  -2.728
  188   1H5*    A  18          1H5*        A  18  11.184   4.628   2.256
  189   2H5*    A  18          2H5*        A  18  11.836   6.272   2.395
  190    H4*    A  18           H4*        A  18  12.563   5.194   0.346
  191    H3*    A  18           H3*        A  18  10.871   7.652   0.125
  192    H2*    A  18           H2*        A  18  10.871   7.459  -2.280
  193   2HO*    A  18          2HO*        A  18  12.393   5.092  -2.203
  194    H1*    A  18           H1*        A  18  10.235   4.773  -2.349
  195    H8     A  18           H8         A  18   8.804   6.666   0.658
  196   1H6     A  18          1H6         A  18   3.704   7.381  -2.774
  197   2H6     A  18          2H6         A  18   4.425   7.631  -1.202
  198    H2     A  18           H2         A  18   6.849   5.451  -5.335
  199    H1*  OMG  19           H1*      OMG  19  10.362   9.519  -5.224
  200    H2*  OMG  19           H2*      OMG  19  10.198  12.172  -4.392
  201    H3*  OMG  19           H3*      OMG  19  11.718  11.931  -2.536
  202    H4*  OMG  19           H4*      OMG  19  13.606  10.412  -4.308
  203   1HM2  OMG  19          1HM2      OMG  19  10.886  11.942  -7.783
  204   2HM2  OMG  19          2HM2      OMG  19  10.809  10.268  -7.240
  205   3HM2  OMG  19          3HM2      OMG  19   9.657  11.449  -6.620
  206   1H5*  OMG  19          1H5*      OMG  19  14.042   9.024  -2.370
  207   2H5*  OMG  19          2H5*      OMG  19  14.268  10.743  -1.995
  208    H8   OMG  19           H8       OMG  19  10.642   9.500  -1.499
  209    HN1  OMG  19           HN1      OMG  19   4.622  10.072  -3.636
  210   1HN2  OMG  19          1HN2      OMG  19   4.609  10.494  -5.784
  211   2HN2  OMG  19          2HN2      OMG  19   6.080  10.637  -6.718
  212   1H5*    A  20          1H5*        A  20  12.479  15.036  -5.977
  213   2H5*    A  20          2H5*        A  20  12.424  16.507  -4.987
  214    H4*    A  20           H4*        A  20  10.867  16.515  -6.912
  215    H3*    A  20           H3*        A  20   9.809  16.873  -4.127
  216    H2*    A  20           H2*        A  20   7.579  17.071  -5.034
  217   2HO*    A  20          2HO*        A  20   7.224  17.231  -7.216
  218    H1*    A  20           H1*        A  20   7.755  14.783  -6.554
  219    H8     A  20           H8         A  20  10.044  14.266  -3.625
  220   1H6     A  20          1H6         A  20   5.088  12.384  -0.433
  221   2H6     A  20          2H6         A  20   6.831  12.526  -0.430
  222    H2     A  20           H2         A  20   3.664  14.073  -4.336
  223    H3T    A  20           H3T        A  20   9.400  18.827  -5.876
  Start of MODEL   20
    1    HN1  PSU   1           HN1      PSU   1  -1.039  11.452   0.834
    2    HN3  PSU   1           HN3      PSU   1   1.386  12.557  -2.254
    3    H6   PSU   1           H6       PSU   1  -2.991  11.749  -0.527
    4    H1*  PSU   1           H1*      PSU   1  -3.112  13.574  -3.435
    5    H2*  PSU   1           H2*      PSU   1  -2.175  11.219  -4.559
    6   *HO2  PSU   1          *HO2      PSU   1  -3.346  12.100  -6.096
    7    H3*  PSU   1           H3*      PSU   1  -3.328   9.718  -3.076
    8    H4*  PSU   1           H4*      PSU   1  -5.846  11.306  -3.314
    9   1H5*  PSU   1          1H5*      PSU   1  -5.887  11.040  -0.813
   10   2H5*  PSU   1          2H5*      PSU   1  -6.011   9.556  -1.774
   11    H5T  PSU   1           H5T      PSU   1  -4.408   8.946  -0.554
   12   1H5*    C   2          1H5*        C   2  -3.710  10.703  -7.135
   13   2H5*    C   2          2H5*        C   2  -4.189   9.180  -7.910
   14    H4*    C   2           H4*        C   2  -2.718  10.094  -9.426
   15    H3*    C   2           H3*        C   2  -1.369   8.017  -7.768
   16    H2*    C   2           H2*        C   2   0.785   8.549  -8.686
   17   2HO*    C   2          2HO*        C   2   0.228   8.853 -10.846
   18    H1*    C   2           H1*        C   2   0.555  11.306  -8.540
   19   1H4     C   2          1H4         C   2   2.995   9.891  -2.865
   20   2H4     C   2          2H4         C   2   1.411   9.452  -2.269
   21    H5     C   2           H5         C   2  -0.557   9.389  -3.674
   22    H6     C   2           H6         C   2  -1.397   9.697  -5.941
   23   1H5*    U   3          1H5*        U   3   0.505   6.836 -11.176
   24   2H5*    U   3          2H5*        U   3  -0.401   5.399 -11.693
   25    H4*    U   3           H4*        U   3   1.704   4.596 -11.862
   26    H3*    U   3           H3*        U   3   0.734   3.932  -9.120
   27    H2*    U   3           H2*        U   3   2.909   3.166  -8.452
   28   2HO*    U   3          2HO*        U   3   3.973   3.674 -11.020
   29    H1*    U   3           H1*        U   3   4.359   5.256  -9.546
   30    H3     U   3           H3         U   3   4.460   6.608  -5.290
   31    H5     U   3           H5         U   3   0.419   7.056  -6.342
   32    H6     U   3           H6         U   3   0.931   6.011  -8.448
   33   1H5*    C   4          1H5*        C   4   3.407   1.425 -10.402
   34   2H5*    C   4          2H5*        C   4   2.878  -0.262 -10.550
   35    H4*    C   4           H4*        C   4   5.032  -0.262  -9.570
   36    H3*    C   4           H3*        C   4   2.812  -1.026  -7.721
   37    H2*    C   4           H2*        C   4   4.338  -1.164  -5.867
   38   2HO*    C   4          2HO*        C   4   6.675  -0.549  -6.583
   39    H1*    C   4           H1*        C   4   5.686   1.201  -6.386
   40   1H4     C   4          1H4         C   4   0.933   3.169  -2.691
   41   2H4     C   4          2H4         C   4  -0.190   3.084  -4.029
   42    H5     C   4           H5         C   4   0.425   2.225  -6.210
   43    H6     C   4           H6         C   4   2.236   1.277  -7.541
   44    H1*  OMG   5           H1*      OMG   5   6.875  -1.309  -2.774
   45    H2*  OMG   5           H2*      OMG   5   6.583  -3.591  -1.235
   46    H3*  OMG   5           H3*      OMG   5   5.203  -4.793  -2.799
   47    H4*  OMG   5           H4*      OMG   5   7.031  -4.052  -5.048
   48   1HM2  OMG   5          1HM2      OMG   5   8.515  -2.596  -0.630
   49   2HM2  OMG   5          2HM2      OMG   5   8.921  -1.524  -1.967
   50   3HM2  OMG   5          3HM2      OMG   5   9.986  -2.868  -1.561
   51   1H5*  OMG   5          1H5*      OMG   5   4.927  -5.333  -5.435
   52   2H5*  OMG   5          2H5*      OMG   5   4.024  -3.886  -4.948
   53    H8   OMG   5           H8       OMG   5   3.515  -2.066  -3.806
   54    HN1  OMG   5           HN1      OMG   5   3.689  -0.413   2.390
   55   1HN2  OMG   5          1HN2      OMG   5   5.740  -0.488   3.144
   56   2HN2  OMG   5          2HN2      OMG   5   7.091  -0.945   2.133
   57    H1*  OMG   6           H1*      OMG   6   6.161  -3.403   3.323
   58    H2*  OMG   6           H2*      OMG   6   4.889  -5.937   3.479
   59    H3*  OMG   6           H3*      OMG   6   5.722  -6.726   1.373
   60    H4*  OMG   6           H4*      OMG   6   8.356  -5.413   2.017
   61   1HM2  OMG   6          1HM2      OMG   6   5.298  -4.571   5.399
   62   2HM2  OMG   6          2HM2      OMG   6   6.631  -5.212   6.356
   63   3HM2  OMG   6          3HM2      OMG   6   6.869  -3.774   5.366
   64   1H5*  OMG   6          1H5*      OMG   6   8.248  -4.777  -0.443
   65   2H5*  OMG   6          2H5*      OMG   6   8.516  -6.485  -0.040
   66    H8   OMG   6           H8       OMG   6   4.557  -4.336   0.052
   67    HN1  OMG   6           HN1      OMG   6   0.543  -1.782   4.357
   68   1HN2  OMG   6          1HN2      OMG   6   1.505  -1.648   6.312
   69   2HN2  OMG   6          2HN2      OMG   6   3.146  -2.190   6.584
   70   1H5*    C   7          1H5*        C   7   6.581  -7.843   5.409
   71   2H5*    C   7          2H5*        C   7   6.290  -9.590   5.508
   72    H4*    C   7           H4*        C   7   5.070  -8.553   7.253
   73    H3*    C   7           H3*        C   7   3.321  -9.547   5.020
   74    H2*    C   7           H2*        C   7   1.396  -8.738   6.205
   75   2HO*    C   7          2HO*        C   7   2.119  -7.680   8.403
   76    H1*    C   7           H1*        C   7   2.595  -6.326   7.067
   77   1H4     C   7          1H4         C   7  -0.548  -4.381   1.949
   78   2H4     C   7          2H4         C   7   0.551  -5.236   0.890
   79    H5     C   7           H5         C   7   2.328  -6.663   1.713
   80    H6     C   7           H6         C   7   3.415  -7.543   3.713
   81   1H5*    C   8          1H5*        C   8   1.733 -10.785   8.375
   82   2H5*    C   8          2H5*        C   8   1.653 -12.540   8.624
   83    H4*    C   8           H4*        C   8  -0.442 -11.944   9.260
   84    H3*    C   8           H3*        C   8  -0.570 -12.647   6.354
   85    H2*    C   8           H2*        C   8  -2.847 -11.922   6.228
   86   2HO*    C   8          2HO*        C   8  -2.977 -11.367   8.984
   87    H1*    C   8           H1*        C   8  -2.575  -9.651   7.863
   88   1H4     C   8          1H4         C   8  -1.955  -6.973   2.195
   89   2H4     C   8          2H4         C   8  -0.558  -7.951   1.805
   90    H5     C   8           H5         C   8   0.311  -9.655   3.295
   91    H6     C   8           H6         C   8  -0.013 -10.785   5.433
   92    HN1  PSU   9           HN1      PSU   9  -2.998  -9.751   2.347
   93    HN3  PSU   9           HN3      PSU   9  -6.499  -7.679   2.629
   94    H6   PSU   9           H6       PSU   9  -3.455 -10.904   4.394
   95    H1*  PSU   9           H1*      PSU   9  -5.590 -10.045   6.772
   96    H2*  PSU   9           H2*      PSU   9  -7.667 -10.930   5.076
   97   *HO2  PSU   9          *HO2      PSU   9  -8.491 -10.909   7.035
   98    H3*  PSU   9           H3*      PSU   9  -6.499 -12.934   4.410
   99    H4*  PSU   9           H4*      PSU   9  -5.697 -13.251   7.300
  100   1H5*  PSU   9          1H5*      PSU   9  -4.864 -15.089   6.203
  101   2H5*  PSU   9          2H5*      PSU   9  -4.543 -14.188   4.708
  102   1H5*    U  10          1H5*        U  10  -8.547 -16.399   2.525
  103   2H5*    U  10          2H5*        U  10  -7.113 -15.410   2.190
  104    H4*    U  10           H4*        U  10  -8.703 -15.359   0.349
  105    H3*    U  10           H3*        U  10  -7.365 -13.194   1.090
  106    H2*    U  10           H2*        U  10  -8.913 -12.394   2.772
  107   2HO*    U  10          2HO*        U  10  -8.703 -10.706   1.236
  108    H1*    U  10           H1*        U  10 -11.248 -12.956   0.870
  109    H3     U  10           H3         U  10 -14.403 -12.265   3.908
  110    H5     U  10           H5         U  10 -11.155 -13.499   6.267
  111    H6     U  10           H6         U  10  -9.868 -13.714   4.244
  112   1H5*    U  11          1H5*        U  11  -7.338 -10.092  -3.205
  113   2H5*    U  11          2H5*        U  11  -8.444 -10.186  -1.821
  114    H4*    U  11           H4*        U  11  -9.204 -10.870  -4.653
  115    H3*    U  11           H3*        U  11  -8.690  -8.311  -4.077
  116    H2*    U  11           H2*        U  11 -10.072  -8.102  -2.115
  117   2HO*    U  11          2HO*        U  11 -12.218  -7.348  -2.961
  118    H1*    U  11           H1*        U  11 -12.275  -9.720  -3.501
  119    H3     U  11           H3         U  11 -14.776 -10.167   0.137
  120    H5     U  11           H5         U  11 -10.925  -9.716   1.751
  121    H6     U  11           H6         U  11 -10.084  -9.555  -0.494
  122   1H5*    U  12          1H5*        U  12 -11.625  -4.873  -5.567
  123   2H5*    U  12          2H5*        U  12 -10.020  -4.576  -6.264
  124    H4*    U  12           H4*        U  12  -9.500  -3.245  -4.596
  125    H3*    U  12           H3*        U  12  -9.001  -5.504  -3.311
  126    H2*    U  12           H2*        U  12 -11.106  -6.075  -2.404
  127   2HO*    U  12          2HO*        U  12  -9.587  -4.789  -0.691
  128    H1*    U  12           H1*        U  12 -12.028  -3.278  -1.817
  129    H3     U  12           H3         U  12 -15.724  -4.415  -4.824
  130    H5     U  12           H5         U  12 -15.123  -7.158  -1.701
  131    H6     U  12           H6         U  12 -12.997  -6.109  -1.290
  132    H1*  OMG  13           H1*      OMG  13  -9.184  -4.235   4.028
  133    H2*  OMG  13           H2*      OMG  13  -7.980  -1.738   4.033
  134    H3*  OMG  13           H3*      OMG  13  -8.688  -1.128   1.812
  135    H4*  OMG  13           H4*      OMG  13 -11.475  -2.023   2.459
  136   1HM2  OMG  13          1HM2      OMG  13  -9.970  -2.259   6.858
  137   2HM2  OMG  13          2HM2      OMG  13  -8.618  -3.025   6.027
  138   3HM2  OMG  13          3HM2      OMG  13 -10.239  -3.699   5.881
  139   1H5*  OMG  13          1H5*      OMG  13 -11.706  -2.639   0.232
  140   2H5*  OMG  13          2H5*      OMG  13 -10.757  -1.141   0.184
  141    H8   OMG  13           H8       OMG  13  -7.901  -2.931   0.646
  142    HN1  OMG  13           HN1      OMG  13  -3.873  -6.666   3.953
  143   1HN2  OMG  13          1HN2      OMG  13  -4.679  -7.096   5.935
  144   2HN2  OMG  13          2HN2      OMG  13  -6.225  -6.473   6.468
  145   1H5*    G  14          1H5*        G  14  -9.734   0.062   5.800
  146   2H5*    G  14          2H5*        G  14  -9.155   1.724   6.032
  147    H4*    G  14           H4*        G  14  -8.380   0.236   7.796
  148    H3*    G  14           H3*        G  14  -6.257   1.434   6.025
  149    H2*    G  14           H2*        G  14  -4.608   0.333   7.385
  150   2HO*    G  14          2HO*        G  14  -6.543   0.582   9.241
  151    H1*    G  14           H1*        G  14  -6.063  -2.080   7.632
  152    H8     G  14           H8         G  14  -6.132  -0.586   4.151
  153    H1     G  14           H1         G  14  -1.095  -4.372   5.355
  154   1H2     G  14          1H2         G  14  -1.005  -4.868   7.481
  155   2H2     G  14          2H2         G  14  -2.187  -4.284   8.632
  156   1H5*    C  15          1H5*        C  15  -4.795   1.529   9.612
  157   2H5*    C  15          2H5*        C  15  -4.682   3.201  10.194
  158    H4*    C  15           H4*        C  15  -2.663   2.432  10.856
  159    H3*    C  15           H3*        C  15  -2.243   3.541   8.101
  160    H2*    C  15           H2*        C  15   0.040   2.779   8.150
  161   2HO*    C  15          2HO*        C  15  -0.051   1.575  10.626
  162    H1*    C  15           H1*        C  15  -0.512   0.259   9.188
  163   1H4     C  15          1H4         C  15  -0.832  -0.885   2.974
  164   2H4     C  15          2H4         C  15  -2.293   0.060   2.825
  165    H5     C  15           H5         C  15  -3.278   1.271   4.674
  166    H6     C  15           H6         C  15  -3.055   1.824   7.040
  167   1H5*    U  16          1H5*        U  16   2.480   5.437   8.594
  168   2H5*    U  16          2H5*        U  16   1.274   4.902   7.407
  169    H4*    U  16           H4*        U  16   2.885   3.038   9.142
  170    H3*    U  16           H3*        U  16   3.597   4.161   6.456
  171    H2*    U  16           H2*        U  16   4.303   1.988   5.714
  172   2HO*    U  16          2HO*        U  16   3.753   0.559   7.977
  173    H1*    U  16           H1*        U  16   2.166   0.568   6.826
  174    H3     U  16           H3         U  16   2.229   1.181   2.146
  175    H5     U  16           H5         U  16  -0.807   3.534   3.858
  176    H6     U  16           H6         U  16   0.180   3.097   6.007
  177   1H5*    A  17          1H5*        A  17   5.569   3.653   5.062
  178   2H5*    A  17          2H5*        A  17   6.337   2.592   6.259
  179    H4*    A  17           H4*        A  17   8.504   2.982   5.282
  180    H3*    A  17           H3*        A  17   7.145   5.047   3.599
  181    H2*    A  17           H2*        A  17   8.438   4.387   1.678
  182   2HO*    A  17          2HO*        A  17   9.893   2.907   3.627
  183    H1*    A  17           H1*        A  17   8.058   1.662   1.980
  184    H8     A  17           H8         A  17   4.829   2.684   3.249
  185   1H6     A  17          1H6         A  17   3.022   3.964  -2.534
  186   2H6     A  17          2H6         A  17   2.491   3.718  -0.885
  187    H2     A  17           H2         A  17   7.479   3.459  -2.549
  188   1H5*    A  18          1H5*        A  18  10.845   4.664   2.415
  189   2H5*    A  18          2H5*        A  18  11.796   6.142   2.661
  190    H4*    A  18           H4*        A  18  12.325   5.326   0.514
  191    H3*    A  18           H3*        A  18  10.571   7.762   0.429
  192    H2*    A  18           H2*        A  18  10.590   7.652  -1.981
  193   2HO*    A  18          2HO*        A  18  12.809   6.058  -1.455
  194    H1*    A  18           H1*        A  18  10.105   4.911  -2.123
  195    H8     A  18           H8         A  18   8.361   6.672   0.788
  196   1H6     A  18          1H6         A  18   3.545   7.290  -3.056
  197   2H6     A  18          2H6         A  18   4.110   7.516  -1.415
  198    H2     A  18           H2         A  18   6.981   5.599  -5.389
  199    H1*  OMG  19           H1*      OMG  19  10.183   9.483  -5.272
  200    H2*  OMG  19           H2*      OMG  19  10.035  12.191  -4.506
  201    H3*  OMG  19           H3*      OMG  19  11.476  11.960  -2.592
  202    H4*  OMG  19           H4*      OMG  19  13.278  10.204  -4.244
  203   1HM2  OMG  19          1HM2      OMG  19  10.686  10.180  -7.294
  204   2HM2  OMG  19          2HM2      OMG  19   9.544  11.397  -6.732
  205   3HM2  OMG  19          3HM2      OMG  19  10.828  11.844  -7.853
  206   1H5*  OMG  19          1H5*      OMG  19  13.648   8.938  -2.219
  207   2H5*  OMG  19          2H5*      OMG  19  13.974  10.662  -1.953
  208    H8   OMG  19           H8       OMG  19   9.940   9.697  -1.544
  209    HN1  OMG  19           HN1      OMG  19   4.310  10.275  -4.562
  210   1HN2  OMG  19          1HN2      OMG  19   4.616  10.552  -6.710
  211   2HN2  OMG  19          2HN2      OMG  19   6.211  10.593  -7.428
  212   1H5*    A  20          1H5*        A  20  11.322  13.558  -6.561
  213   2H5*    A  20          2H5*        A  20  11.585  15.294  -6.305
  214    H4*    A  20           H4*        A  20   9.497  14.747  -7.522
  215    H3*    A  20           H3*        A  20   9.376  16.316  -4.965
  216    H2*    A  20           H2*        A  20   7.001  16.333  -5.064
  217   2HO*    A  20          2HO*        A  20   6.204  15.390  -7.298
  218    H1*    A  20           H1*        A  20   6.733  13.783  -6.384
  219    H8     A  20           H8         A  20   8.739  13.923  -3.151
  220   1H6     A  20          1H6         A  20   3.442  12.465  -0.297
  221   2H6     A  20          2H6         A  20   5.164  12.696  -0.095
  222    H2     A  20           H2         A  20   2.523  13.249  -4.613
  223    H3T    A  20           H3T        A  20   8.828  16.961  -7.641