*HEADER    STRUCTURAL PROTEIN                      08-JUN-08   2K4H              
*TITLE     SOLUTION STRUCTURE OF THE HIV-2 MYRISTOYLATED MATRIX PROTEIN          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HIV-2 MYRISTOYLATED MATRIX PROTEIN;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 2 TO 135;                                     
*COMPND   5 SYNONYM: MATRIX PROTEIN P17;                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 2;            
*SOURCE   3 ORGANISM_COMMON: HIV-2;                                              
*SOURCE   4 STRAIN: PROD10;                                                      
*SOURCE   5 GENE: GAG-POL;                                                       
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET 11 AND 19                              
*KEYWDS    AIDS, CAPSID PROTEIN, MYRISTATE, MATRIX, GAG, HIV, NMR,               
*KEYWDS   2 VIRION, STRUCTURAL PROTEIN, PLASMA MEMBRANE                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.S.SAAD, S.D.ABLAN, R.H.GHANAM, A.KIM, K.ANDREWS,                    
*AUTHOR   2 K.NAGASHIMA, E.O.FREED, M.F.SUMMERS                                  
*REVDAT   1   12-AUG-08 2K4H    0                                                


###############################
#  See DIF statements for differences between myrMA and myr(-)MA
##############################

# Strong Medium Weak        
# NOEs 2.7 3.3 5.0        
# The following adjustments are made AUTOMATICALLY to Q-containing
# psequdoatom names with CYANA:

# Methyl(CH3) add 0.5/methyl 3.2 3.8 5.5
# Methylene(CH2) add 0.8 3.5 4.1 5.8      
# Pseduomethyls (2 -CH3) add 1.5 4.2 4.8 6.5    
# Aromatic qr add 2.3 5 5.6 7.3     
# Degenerate NOEs are additive.

#=========================================       
# Helix I (residues 9-18)   
#=========================================       
# NH(i)-NH(i+1)
10 GLY H 11 LYS H 2.9 1.00E+00 #good for hiv2myrma
11 LYS H 12 LYS  H 2.9 1.00E+00 #good for hiv2myrma
12 LYS  H 13 ALA H 2.9 1.00E+00 #good for hiv2myrma
13 ALA H 14 ASP  H 2.9 1.00E+00 #good for hiv2myrma
14 ASP  H 15 GLU  H 2.9 1.00E+00 #good for hiv2myrma
15 GLU  H 16 LEU H 2.9 1.00E+00 #good for hiv2myrma
16 LEU H 17 GLU  H 2.9 1.00E+00 #good for hiv2myrma
17 GLU  H 18 ARG  H 2.9 1.00E+00 #good for hiv2myrma
18 ARG  H 19 ILE H 2.9 1.00E+00 #good for hiv2myrma

# NH(i)-NH(i+2)
10 GLY H 12 LYS  H 5.0 1.00E+00 #good for hiv2ma
11 LYS H 13 ALA H 5.0 1.00E+00 #good for hiv2ma
12 LYS  H 14 ASP  H 5.0 1.00E+00 #good for hiv2ma
13 ALA H 15 GLU  H 5.0 1.00E+00 #good for hiv2ma
14 ASP  H 16 LEU H 5.0 1.00E+00 #good for hiv2ma
15 GLU  H 17 GLU  H 5.0 1.00E+00 #good for hiv2ma
17      GLU     H       19      ILE     H       5.0     1.00E+00 #good for hiv2ma

# NH(i)-NH(i+3)
9       ARG     H       12      LYS     H       5.0     1.00E+00 #good for hiv2ma
13 ALA H 16 LEU H 5.0 1.00E+00 #good for hiv2ma
14 ASP  H 17 GLU  H 5.0 1.00E+00 #good for hiv2ma
16      LEU     H       19      ILE     H       5.0     1.00E+00 #good for hiv2ma

# aH(i)-NH(i+1)
9 ARG HA 10 GLY H 2.7 1.00E+00 #good for hiv2myrma
10 GLY HA3 11 LYS H 2.7 1.00E+00 #good for hiv2myrma

# aH(i)-NH(i+2)
13 ALA HA 15 GLU H 5.0 1.00E+00 #good for hiv2ma
14 ASP HA 16 LEU H 5.0 1.00E+00 #good for hiv2ma
15 GLU HA 17 GLU H 5.0 1.00E+00 #good for hiv2ma
16 LEU HA 18 ARG H 5.0 1.00E+00 #good for hiv2ma
17 GLU HA 19 ILE H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+3)
10 GLY HA2 13 ALA H 5.0 1.00E+00 #good for hiv2ma
11 LYS HA 14 ASP  H 5.0 1.00E+00 #good for hiv2ma
12 LYS  HA 15 GLU  H 5.0 1.00E+00 #good for hiv2ma (overlap with 15-HA)
13 ALA HA 16 LEU H 5.0 1.00E+00 #good for hiv2ma
14 ASP  HA 17 GLU  H 5.0 1.00E+00 #good for hiv2ma
15 GLU HA 18 ARG H 5.0 1.00E+00 #good for hiv2ma
16 LEU HA 19 ILE H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+4)
9 ARG HA 13 ALA H 5.0 1.00E+00 #good for hiv2ma
10 GLY HA2 14 ASP H 5.0 1.00E+00 #good for hiv2ma
12 LYS HA 16 LEU H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-bH(i+3)
10 GLY HA2 13 ALA QB 3.3 1.00E+00 #good for hiv2ma
11 LYS HA 14 ASP  QB 3.3 1.00E+00 #good for hiv2ma
12 LYS  HA 15      GLU  QB 3.3 1.00E+00 #good for hiv2ma
13 ALA HA 16 LEU HB2 3.3 1.00E+00 #good for hiv2ma 
13 ALA HA 16 LEU HB3 3.3 1.00E+00 #good for hiv2ma
14 ASP HA 17 GLU QB 3.3 1.00E+00 #good for hiv2ma

#================================           
# ---- ANTI-PARALLEL BETA ---       
#================================           
#Sequential NOEs
19 ILE HA 20 ARG  H 2.7 1.00E+00 #good for hiv2ma
20 ARG  HA 21 LEU H 2.7 1.00E+00 #good for hiv2ma
21 LEU H 22 ARG  H 2.7 1.00E+00 #good for hiv2ma
24 GLY H 25 GLY H 3.3 1.00E+00 #overlap Hs
25 GLY HA2 26 LYS  H 2.7 1.00E+00 #good for hiv2ma
25 GLY HA3 26 LYS  H 2.7 1.00E+00 #good for hiv2ma
26 LYS  H 27 LYS  H 2.7 1.00E+00 #good for hiv2ma
27 LYS  HA 28 LYS H 2.7 1.00E+00 #good for hiv2ma
28 LYS HA 29 TYR H 2.7 1.00E+00 #good for hiv2ma
29 TYR HA 30 ARG  H 2.7 1.00E+00 #good for hiv2ma

# aH(i)-aH(j)
17 GLU HA 30 ARG HA 5.0 1.00E+00 #good for hiv2ma 
20 ARG  HA 28 LYS HA 2.7 1.00E+00 #good for hiv2ma
20      ARG     QB      28      LYS     HA      5.0     1.00E+00 #good for hiv2ma

# aH(i)-NH(j)
17 GLU HA 29 TYR H 5.0 1.00E+00 #good for hiv2ma
20 ARG  HA 29 TYR H 5.0 1.00E+00 #good for hiv2ma
21 LEU H 28 LYS HA 3.3 1.00E+00 #good for hiv2ma
22 ARG H 25 GLY HA3 5.0 1.00E+00 #good for hiv2ma
23 PRO HA 25 GLY H 5.0 1.00E+00 #good for hiv2ma

# NH(i)-NH(j)
19 ILE H 29 TYR H 5.0 1.00E+00 #good for hiv2ma
20 ARG H 97 THR H 5.0 1.00E+00 #good for hiv2ma
21 LEU H 27 LYS  H 5.0 1.00E+00 #overlap
22 ARG  H 25 GLY  H 5.0 1.00E+00 #good for hiv2ma

#===============================
# Helix II (residues 30-45)
#===============================

# Sequential NH(i)-NH(i+1) NOEs 
30      ARG     H       31      LEU     H       5.0     1.00E+00 #good for hiv2ma
31 LEU H 32 LYS  H 2.9 1.00E+00 #overlap in hiv2ma
32 LYS  H 33 HISB H 2.9 1.00E+00 #good for hiv2ma
33 HISB H 34 ILE H 2.9 1.00E+00 #good for hiv2ma
34 ILE H 35 VAL H 2.9 1.00E+00 #good for hiv2ma
35 VAL H 36 TRP H 2.9 1.00E+00 #good for hiv2ma
36 TRP H 37 ALA H 2.9 1.00E+00 #good for hiv2ma
37 ALA H 38 ALA H 2.9 1.00E+00 #good for hiv2ma
38 ALA H 39 ASN  H 2.9 1.00E+00 #good for hiv2ma
39 ASN  H 40 LYS  H 2.9 1.00E+00 #good for hiv2ma
40 LYS  H 41 LEU H 2.9 1.00E+00 #good for hiv2ma
41 LEU H 42 ASP  H 2.9 1.00E+00 #good for hiv2ma
42 ASP  H 43 ARG  H 2.9 1.00E+00 #good for hiv2ma
43 ARG  H 44 PHE H 2.9 1.00E+00 #good for hiv2ma
44 PHE H 45 GLY H 2.9 1.00E+00 #good for hiv2ma
45      GLY     H       46      LEU     H       2.9     1.00E+00 #good for hiv2ma

# NH(i)-NH(i+2)      
31 LEU H 33 HISB H 5.0 1.00E+00 #good for hiv2ma
32 LYS  H 34 ILE H 5.0 1.00E+00 #good for hiv2ma
33 HISB H 35 VAL H 5.0 1.00E+00 #good for hiv2ma
34 ILE H 36 TRP H 5.0 1.00E+00 #good for hiv2ma
35 VAL H 37 ALA H 5.0 1.00E+00 #good for hiv2ma
36 TRP H 38 ALA H 5.0 1.00E+00 #good for hiv2ma
37 ALA H 39 ASN  H 5.0 1.00E+00 #good for hiv2ma
38 ALA H 40 LYS  H 5.0 1.00E+00 #good for hiv2ma
39 ASN  H 41 LEU H 5.0 1.00E+00 #good for hiv2ma
40 LYS  H 42 ASP  H 5.0 1.00E+00 #good for hiv2ma
41 LEU H 43 ARG  H 5.0 1.00E+00 #good for hiv2ma
42 ASP  H 44 PHE H 5.0 1.00E+00 #good for hiv2ma
43 ARG  H 45 GLY H 5.0 1.00E+00 #good for hiv2ma
44 PHE H 46 LEU H 5.0 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+3)
30 ARG  H 33 HISB H 5.0 1.00E+00 #good for hiv2ma
31 LEU H 34 ILE H 5.0 1.00E+00 #good for hiv2ma
32 LYS  H 35 VAL H 5.0 1.00E+00 #good for hiv2ma
35 VAL H 38 ALA H 5.0 1.00E+00 #good for hiv2ma
36 TRP H 39 ASN  H 5.0 1.00E+00 #good for hiv2ma
37 ALA H 40 LYS  H 5.0 1.00E+00 #good for hiv2ma
38 ALA H 41 LEU H 5.0 1.00E+00 #good for hiv2ma
40 LYS  H 43 ARG  H 5.0 1.00E+00 #good for hiv2ma
#41 LEU H 44 PHE H 5.0 1.00E+00 #overlap

# aH(i)-NH(i+1)
30 ARG  HA 31 LEU H 2.7 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+2)
38      ALA     HA      40      LYS     H       5.0     1.00E+00 #good for hiv2ma
39      ASN     HA      41      LEU     H       5.0     1.00E+00 #good for hiv2ma
43 ARG  HA 45 GLY H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+3)
31 LEU HA 34 ILE H 5.0 1.00E+00 #good for hiv2ma
32 LYS  HA 35 VAL H 5.0 1.00E+00 #good for hiv2ma
33 HISB HA 36 TRP H 5.0 1.00E+00 #good for hiv2ma
34 ILE HA 37 ALA H 5.0 1.00E+00 #good for hiv2ma
35 VAL HA 38 ALA H 5.0 1.00E+00 #good for hiv2ma
36 TRP HA 39 ASN  H 5.0 1.00E+00 #good for hiv2ma
37 ALA HA 40 LYS H 5.0 1.00E+00 #good for hiv2ma
38 ALA HA 41 LEU H 5.0 1.00E+00 #good for hiv2ma
39 ASN HA 42 ASP H 5.0 1.00E+00 #good for hiv2ma 
40 LYS  HA 43 ARG  H 5.0 1.00E+00 #good for hiv2ma
41 LEU HA 44 PHE H 5.0 1.00E+00 #good for hiv2ma
42 ASP  HA 45 GLY H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+4)
32 LYS  HA 36 TRP H 5.0 1.00E+00 #good for hiv2ma
33 HISB HA 37 ALA H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-bH(i+3)
31 LEU HA 34 ILE HB 3.3 1.00E+00 #good for hiv2ma 
32 LYS  HA 35 VAL HB 3.3 1.00E+00 #good for hiv2ma
33 HISB HA 36 TRP QB 3.3 1.00E+00 #good for hiv2ma  
34 ILE HA 37 ALA QB 3.3 1.00E+00 #good for hiv2ma
35 VAL HA 38 ALA QB 3.3 1.00E+00 #good for hiv2ma
36 TRP HA 39 ASN  QB 3.3 1.00E+00 #good for hiv2ma
37 ALA HA 40 LYS  QB 3.3 1.00E+00 #good for hiv2ma 
38 ALA HA 41 LEU QB 5.0 1.00E+00 #weak in hiv2ma
39 ASN  HA 42 ASP  QB 3.3 1.00E+00 #good for hiv2ma 
40 LYS  HA 43 ARG  QB 3.3 1.00E+00 #good for hiv2ma
41 LEU HA 44 PHE HB2 5.0 1.00E+00 #good for hiv2ma

#=====================           
# Linker (Helix II-HelixIII)
#=====================
42 ASP HA 46 LEU H 5.0 1.00E+00 #good for hiv2ma
45 GLY HA 46 LEU H 3.3 1.00E+00 #good for hiv2ma
46 LEU HA 47 ALA H 2.7 1.00E+00 #good for hiv2ma
47 ALA H 48 GLU H 5.0 1.00E+00 #good for hiv2ma
47      ALA     HA      48      GLU     H       2.7     1.00E+00 #good for hiv2ma

#=====================
# Helix III (residues 48-53)
#=====================
# NH(i)-NH(i+1)
48      GLU     H       49      SER     H       2.7     1.00E+00 #good for hiv2ma
49 SER H 50 LEU H 2.7 1.00E+00 #good for hiv2ma
50 LEU H 51 LEU H 2.7 1.00E+00 #good for hiv2ma
51 LEU H 52 GLU  H 2.7 1.00E+00 #good for hiv2ma
52 GLU  H 53 SER H 2.7 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+2)
49 SER H 51 LEU H 5.0 1.00E+00 #good for hiv2ma
50 LEU H 52 GLU  H 5.0 1.00E+00 #good for hiv2ma
51 LEU H 53 SER H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+1)
52 GLU  HA 53 SER H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+2)
48 GLU HA 50 LEU H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+3)
50 LEU HA 53 SER H 5.0 1.00E+00 #good for hiv2ma  

# aH(i)-bH(i+3)

#============================
# Helix IV (residues 53-65)
#============================

# NH(i)-NH(i+1)
54 LYS H 55 GLU  H 2.9 1.00E+00 #good for hiv2ma
55 GLU  H 56 GLY H 2.9 1.00E+00 #good for hiv2ma
56 GLY H 57 CYS H 2.9 1.00E+00 #good for hiv2ma
57 CYS H 58 GLN  H 2.9 1.00E+00 #good for hiv2ma
58 GLN  H 59 LYS H 2.9 1.00E+00 #good for hiv2ma
59 LYS H 60 ILE H 2.9 1.00E+00 #good for hiv2ma
60 ILE H 61 LEU H 2.9 1.00E+00 #good for hiv2ma
61 LEU H 62 THR H 2.9 1.00E+00 #good for hiv2ma
62 THR H 63 VAL H 2.9 1.00E+00 #good for hiv2ma
63 VAL H 64 LEU H 2.9 1.00E+00 #good for hiv2ma
64 LEU H 65 ASP H 2.9 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+2)
54 LYS H 56 GLY H 5.0 1.00E+00 #good for hiv2ma
55 GLU  H 57 CYS H 5.0 1.00E+00 #good for hiv2ma
56 GLY H 58 GLN  H 5.0 1.00E+00 #good for hiv2ma
57 CYS H 59 LYS H 5.0 1.00E+00 #good for hiv2ma
58 GLN  H 60 ILE H 5.0 1.00E+00 #good for hiv2ma
59 LYS H 61 LEU H 5.0 1.00E+00 #good for hiv2ma
60 ILE H 62 THR H 5.0 1.00E+00 #good for hiv2ma
61 LEU H 63 VAL H 5.0 1.00E+00 #good for hiv2ma
62 THR H 64 LEU H 5.0 1.00E+00 #good for hiv2ma
63 VAL H 65 ASP H 5.0 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+3)
53 SER H 56 GLY H 5.0 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+4)
53 SER H 57 CYS H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+1)
53 SER HA 54 LYS H 2.7 1.00E+00 #Helix Cap (good for hiv2ma)

# aH(i)-NH(i+3)
53      SER     HA      56      GLY     H       5.0     1.00E+00 #good for hiv2ma
54 LYS HA 57 CYS H 5.0 1.00E+00 #good for hiv2ma
55 GLU  HA 58 GLN  H 5.0 1.00E+00 #good for hiv2ma
56 GLY HA2 59 LYS H 5.0 1.00E+00 #good for hiv2ma
57 CYS HA 60 ILE H 5.0 1.00E+00 #good for hiv2ma
58 GLN  HA 61 LEU H 5.0 1.00E+00 #good for hiv2ma
59 LYS HA 62 THR H 5.0 1.00E+00 #good for hiv2ma
60 ILE HA 63 VAL H 5.0 1.00E+00 #good for hiv2ma
61 LEU HA 64 LEU H 5.0 1.00E+00 #good for hiv2ma
62 THR HA 65 ASP H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+4)
58 GLN  HA 62 THR H 5.0 1.00E+00 #good for hiv2ma
59      LYS     HA      63      VAL     H       5.0     1.00E+00 #good for hiv2ma

# aH(i)-bH(i+3)
55 GLU  HA 58 GLN  QB 3.3 1.00E+00 #good for hiv2ma 
56 GLY HA2 59 LYS QB 3.3 1.00E+00 #good for hiv2ma
57 CYS HA 60 ILE HB 5.0 1.00E+00 #good for hiv2ma
58 GLN  HA 61 LEU HB3 5.0 1.00E+00 #good for hiv2ma
60 ILE HA 63 VAL HB 3.3 1.00E+00 #good for hiv2ma
61 LEU HA 64 LEU HB3 5.0 1.00E+00 #good for hiv2ma
62 THR HA 65 ASP HB2 5.0 1.00E+00 #good for hiv2ma

#=====================
# Helix V (3-10 Helix, residues 66-71)
#=====================

# NH(i)-NH(i+1)
67 MET H 68 VAL H 2.9 1.00E+00 #good for hiv2ma
70 THR H 71 GLY H 2.9 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+2)
68 VAL H 70 THR H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+1)
71 GLY HA2 72 SER H 2.7 1.00E+00 #good for hiv2ma
71 GLY HA3 72 SER H 3.3 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+2)
65 ASP HA 67 MET H 5.0 1.00E+00 #good for hiv2ma
66 PRO HA 68 VAL H 5.0 1.00E+00 #good for hiv2ma
68 VAL HA 70 THR H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+3)
64 LEU HA 67 MET H 5.0 1.00E+00 #good for hiv2ma
65 ASP HA 68 VAL H 5.0 1.00E+00 #good for hiv2ma
67 MET HA 70 THR H 5.0 1.00E+00 #good for hiv2ma
68 VAL HA 71 GLY H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+4)
67      MET     HA      71      GLY     H       5.0     1.00E+00 #good for hiv2ma

# aH(i)-bH(i+3)


#================================
# Helix VI (residues 72-91)
#================================
# NH(i)-NH(i+1)
73 GLU  H 74 ASN  H 2.9 1.00E+00 #good for hiv2ma
74 ASN  H 75 LEU H 2.9 1.00E+00 #good for hiv2ma
75 LEU H 76 LYS   H 2.9 1.00E+00 #good for hiv2ma
76 LYS  H 77 SER H 2.9 1.00E+00 #good for hiv2ma
77 SER H 78 LEU H 2.9 1.00E+00 #good for hiv2ma
78 LEU H 79 PHE H 2.9 1.00E+00 #good for hiv2ma
79 PHE H 80 ASN H 2.9 1.00E+00 #good for hiv2ma
80 ASN H 81 THR H 2.9 1.00E+00 #good for hiv2ma
81 THR H 82 VAL H 2.9 1.00E+00 #good for hiv2ma
82 VAL H 83 CYS H 2.9 1.00E+00 #good for hiv2ma
83 CYS H 84 VAL H 2.9 1.00E+00 #good for hiv2ma
84 VAL H 85 ILE H 2.9 1.00E+00 #good for hiv2ma
85 ILE H 86 TRP H 2.9 1.00E+00 #good for hiv2ma
86 TRP H 87 CYS H 2.9 1.00E+00 #good for hiv2ma
87 CYS H 88 ILE H 2.9 1.00E+00 #good for hiv2ma
88 ILE H 89 HISB H 2.9 1.00E+00 #good for hiv2ma
89 HISB H 90 ALA H 2.9 1.00E+00 #good for hiv2ma
90 ALA H 91 GLU  H 2.9 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+2)
#74 ASN  H 76 LYS  H 5.0 1.00E+00 #74-HN is not observed
75 LEU H 77 SER H 5.0 1.00E+00 #good for hiv2ma
76 LYS  H 78 LEU H 5.0 1.00E+00 #good for hiv2ma
77 SER H 79 PHE H 5.0 1.00E+00 #good for hiv2ma
78 LEU H 80 ASN H 5.0 1.00E+00 #good for hiv2ma
79 PHE H 81 THR H 5.0 1.00E+00 #good for hiv2ma
80 ASN H 82 VAL H 5.0 1.00E+00 #good for hiv2ma
81 THR H 83 CYS H 5.0 1.00E+00 #good for hiv2ma
82 VAL H 84 VAL H 5.0 1.00E+00 #good for hiv2ma
83 CYS H 85 ILE H 5.0 1.00E+00 #good for hiv2ma
84 VAL H 86 TRP H 5.0 1.00E+00 #good for hiv2ma
85 ILE H 87 CYS H 5.0 1.00E+00 #good for hiv2ma
86 TRP H 88 ILE H 5.0 1.00E+00 #good for hiv2ma
87 CYS H 89 HISB H 5.0 1.00E+00 #good for hiv2ma
88 ILE H 90 ALA H 5.0 1.00E+00 #good for hiv2ma
89 HISB H 91 GLU  H 5.0 1.00E+00 #good for hiv2ma
90 ALA H 92 GLU H 5.0 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+3)
72 SER H 75 LEU H 5.0 1.00E+00 #good for hiv2ma
73 GLU  H 76 LYS  H 5.0 1.00E+00 #good for hiv2ma
75 LEU H 78 LEU H 5.0 1.00E+00 #good for hiv2ma
76 LYS  H 79 PHE H 5.0 1.00E+00 #good for hiv2ma
77 SER H 80 ASN H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+1)
72 SER HA 73 GLU  H 2.7 1.00E+00 #good for hiv2ma 

# bH(i)-NH(i+2)
72 SER HB2 74 ASN  H 5.0 1.00E+00 #74-H is not observed

# aH(i)-NH(i+3)
73 GLU  HA 76 LYS  H 5.0 1.00E+00 #good for hiv2ma  
74 ASN  HA 77 SER H 5.0 1.00E+00 #good for hiv2ma
75 LEU HA 78 LEU H 5.0 1.00E+00 #good for hiv2ma
76 LYS  HA 79 PHE H 5.0 1.00E+00 #good for hiv2ma
77 SER HA 80 ASN H 5.0 1.00E+00 #good for hiv2ma
78 LEU HA 81 THR H 5.0 1.00E+00 #good for hiv2ma
79 PHE HA 82 VAL H 5.0 1.00E+00 #good for hiv2ma
80 ASN HA 83 CYS H 5.0 1.00E+00 #good for hiv2ma
81 THR HA 84 VAL H 5.0 1.00E+00 #good for hiv2ma
82 VAL HA 85 ILE H 5.0 1.00E+00 #good for hiv2ma
83 CYS HA 86 TRP H 5.0 1.00E+00 #good for hiv2ma
84 VAL HA 87 CYS H 5.0 1.00E+00 #good for hiv2ma 
85 ILE HA 88 ILE H 5.0 1.00E+00 #good for hiv2ma   
86 TRP HA 89 HISB H 5.0 1.00E+00 #good for hiv2ma
87 CYS HA 90 ALA H 5.0 1.00E+00 #good for hiv2ma
88 ILE HA 91 GLU  H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+4)
75 LEU HA 79 PHE H 5.0 1.00E+00 #good for hiv2ma
76 LYS  HA 80 ASN H 5.0 1.00E+00 #good for hiv2ma 
80 ASN HA 84 VAL H 5.0 1.00E+00 #good for hiv2ma 
81      THR     HA      85      ILE     H       5.0     1.00E+00 #good for hiv2ma
82 VAL HA 86 TRP H 5.0 1.00E+00 #good for hiv2ma   
85 ILE HA 89 HISB H 5.0 1.00E+00 #good for hiv2ma 
86 TRP HA 90 ALA H 5.0 1.00E+00 #good for hiv2ma 

# aH(i)-bH(i+3)
73 GLU  HA 76 LYS  QB 3.3 1.00E+00 #good for hiv2ma 
74 ASN  HA 77 SER QB 3.3 1.00E+00 #good for hiv2ma
75 LEU HA 78 LEU QB 3.3 1.00E+00 #good for hiv2ma
76 LYS  HA 79 PHE QB 3.3 1.00E+00 #good for hiv2ma
77 SER HA 80 ASN QB 3.3 1.00E+00 #good for hiv2ma
78 LEU HA 81 THR HB 3.3 1.00E+00 #good for hiv2ma
79 PHE HA 82 VAL HB 3.3 1.00E+00 #good for hiv2ma
80 ASN HA 83 CYS QB 3.3 1.00E+00 #good for hiv2ma
81 THR HA 84 VAL HB 3.3 1.00E+00 #good for hiv2ma
82 VAL HA 85 ILE HB 3.3 1.00E+00 #good for hiv2ma
83 CYS HA 86 TRP QB 3.3 1.00E+00 #good for hiv2ma
84 VAL HA 87 CYS QB 3.3 1.00E+00 #good for hiv2ma
85 ILE HA 88 ILE HB 3.3 1.00E+00 #good for hiv2ma
86 TRP HA 89 HISB QB 3.3 1.00E+00 #good for hiv2ma
87 CYS HA 90 ALA QB 3.3 1.00E+00 #good for hiv2ma

#====================================================
# Linker (93-95)
#====================================================
91      GLU  H 92 GLU H 2.7 1.00E+00 #good for hiv2ma 
92 GLU HA 93 LYS  H 2.7 1.00E+00 #good for hiv2ma
93 LYS  HA 94 VAL H 2.7 1.00E+00 #good for hiv2ma
94 VAL HA 95 LYS  H 2.7 1.00E+00 #good for hiv2ma
95 LYS  H 96 ASP  H 2.7 1.00E+00 #good for hiv2ma

#===============================================
#Parallel b-sheet
#===============================================

# aH(i)-aH(j)
19 ILE HA 95 LYS  HA 5.0 1.00E+00 #good for hiv2ma 

# NH(i)-NH(i+1)
95 LYS  H 96 ASP  H 2.9 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+1)
94 VAL HA 95 LYS  H 2.7 1.00E+00 #good for hiv2ma 
94 VAL HA 96 ASP  H 5.0 1.00E+00 #good for hiv2ma
96 ASP  HA 97 THR H 2.7 1.00E+00 #good for hiv2ma

# aH(i)-NH(j)
20 ARG  H 96 ASP  HA 2.7 1.00E+00 #good for hiv2ma
97 THR H 21 LEU HA 5.0 1.00E+00 #good for hiv2ma
97 THR H 23 PRO HD3 5.0 1.00E+00 #good for hiv2ma

# NH(i)-NH(j)
20 ARG  H 97 THR H 5.0 1.00E+00 #good for hiv2ma
20 ARG  H 96 ASP  H 5.0 1.00E+00 #good for hiv2ma

#============================== 
# Helix VII (residues 96-122)
#==============================

# H(i)-H(i+1)
97 THR H 98 GLU  H 2.9 1.00E+00 #good for hiv2ma
98 GLU  H 99 GLY  H 2.9 1.00E+00 #good for hiv2ma
99 GLY  H 100 ALA H 2.9 1.00E+00 #good for hiv2ma
100 ALA H 101 LYS H 2.9 1.00E+00 #good for hiv2ma
101 LYS H 102 GLN  H 2.9 1.00E+00 #good for hiv2ma
102 GLN  H 103 ILE  H 2.9 1.00E+00 #good for hiv2ma
103 ILE  H 104 VAL H 2.9 1.00E+00 #good for hiv2ma
104 VAL H 105 ARG  H 2.9 1.00E+00 #good for hiv2ma
105 ARG  H 106 ARG  H 2.9 1.00E+00 #good for hiv2ma
106 ARG  H 107 HISB  H 2.9 1.00E+00 #good for hiv2ma
107 HISB  H 108 LEU H 2.9 1.00E+00 #good for hiv2ma
108 LEU H 109 VAL H 2.9 1.00E+00 #good for hiv2ma
109 VAL H 110 ALA  H 2.9 1.00E+00 #good for hiv2ma
110 ALA  H 111 GLU H 2.9 1.00E+01 #good for hiv2ma
111 GLU H 112 THR  H 2.9 1.00E+00 #good for hiv2ma
112 THR  H 113 GLY  H 2.9 1.00E+00 #good for hiv2ma
113 GLY  H 114 THR  H 2.9 1.00E+00 #good for hiv2ma
114 THR  H 115 ALA H 2.9 1.00E+00 #good for hiv2ma
115 ALA H 116 GLU H 2.9 1.00E+00 #Not assigned for hiv2ma
116 GLU H 117 LYS H 2.9 1.00E+00 #Not assigned for hiv2ma
117 LYS H 118 MET H 2.9 1.00E+00 #Not assigned for hiv2ma

# H(i)-H(i+2)
97 THR H 99 GLY  H 5.0 1.00E+00 #good for hiv2ma
98 GLU  H 100 ALA H 5.0 1.00E+00 #good for hiv2ma
99 GLY  H 101 LYS H 5.0 1.00E+00 #good for hiv2ma
100 ALA H 102 GLN  H 5.0 1.00E+00 #good for hiv2ma
101 LYS H 103 ILE  H 5.0 1.00E+00 #good for hiv2ma
102 GLN  H 104 VAL H 5.0 1.00E+00 #good for hiv2ma
103 ILE  H 105 ARG  H 5.0 1.00E+00 #good for hiv2ma
104 VAL H 106 ARG  H 5.0 1.00E+00 #good for hiv2ma
105 ARG  H 107 HISB  H 5.0 1.00E+00 #good for hiv2ma
106 ARG  H 108 LEU H 5.0 1.00E+00 #good for hiv2ma
107 HISB  H 109 VAL H 5.0 1.00E+00 #good for hiv2ma
108 LEU H 110 ALA  H 5.0 1.00E+00 #good for hiv2ma
109 VAL H 111 GLU H 5.0 1.00E+00 #good for hiv2ma
110 ALA  H 112 THR  H 5.0 1.00E+00 #good for hiv2ma
111 GLU H 113 GLY  H 5.0 1.00E+00 #good for hiv2ma
112 THR  H 114 THR  H 5.0 1.00E+00 #good for hiv2ma
113 GLY  H 115 ALA H 5.0 1.00E+00 #good for hiv2ma
114 THR  H 116 GLU H 5.0 1.00E+00 #Not assigned for hiv2ma 
115 ALA H 117 LYS H 5.0 1.00E+00 #Not assigned for hiv2ma
116 GLU H 118 MET H 5.0 1.00E+00 #Not assigned for hiv2ma

# H(i)-H(i+3)
96      ASP     H       99      GLY     H       5.0     1.00E+00 #good for hiv2ma
97      THR     H       99      GLY     H       5.0     1.00E+00 #good for hiv2ma
98 GLU  H 101 LYS H 5.0 1.00E+00 #good for hiv2ma 
99 GLY  H 102 GLN  H 5.0 1.00E+00 #good for hiv2ma
100 ALA H 103 ILE  H 5.0 1.00E+00 #good for hiv2ma
101     LYS     H       104     VAL     H       5.0     1.00E+00 #good for hiv2ma
102 GLN  H 105 ARG  H 5.0 1.00E+00 #good for hiv2ma
103 ILE  H 106 ARG  H 5.0 1.00E+00 #good for hiv2ma
104     VAL     H       107     HISB H       5.0     1.00E+00 #good for hiv2ma
105     ARG     H       108     LEU     H       5.0     1.00E+00 #good for hiv2ma
106     ARG     H       109     VAL     H       5.0     1.00E+00 #good for hiv2ma
107     HISB    H       110     ALA     H       5.0     1.00E+00 #good for hiv2ma
108     LEU     H       111     GLU     H       5.0     1.00E+00 #good for hiv2ma

# H(i)-H(i+4)
96 ASP  H 100 ALA H 5.0 1.00E+00 #good for hiv2ma

# aN(i)-H(i+3)
97 THR HA 100 ALA H 5.0 1.00E+00 #good for hiv2ma
98 GLU  HA 101 LYS H 5.0 1.00E+00 #good for hiv2ma
99 GLY  HA 102 GLN  H 5.0 1.00E+00 #good for hiv2ma
100 ALA HA 103 ILE  H 5.0 1.00E+00 #good for hiv2ma
101 LYS HA 104 VAL H 5.0 1.00E+00 #good for hiv2ma
102 GLN HA 105 ARG H 5.0 1.00E+00 #good for hiv2ma
103 ILE  HA 106 ARG  H 5.0 1.00E+00 #good for hiv2ma
104 VAL HA 107 HISB  H 5.0 1.00E+00 #good for hiv2ma
105     ARG     HA      108     LEU     H       5.0     1.00E+00 #good for hiv2ma
106     ARG     HA      109     VAL     H       5.0     1.00E+00 #good for hiv2ma

# aN(i)-H(i+4)
98 GLU  HA 102 GLN  H 5.0 1.00E+00 #good for hiv2ma 
101 LYS HA 105 ARG  H 5.0 1.00E+00 #good for hiv2ma

# aN(i)-bN(i+3)
97 THR HA 100 ALA QB 3.3 1.00E+00 #good for hiv2ma
98 GLU  HA 101 LYS QB 3.3 1.00E+00 #good for hiv2ma
99 GLY  HA 102 GLN  QB 3.3 1.00E+00 #good for hiv2ma
100 ALA HA 103 ILE  HB 3.3 1.00E+00 #good for hiv2ma
101 LYS HA 104 VAL HB 3.3 1.00E+00 #good for hiv2ma
102 GLN  HA 105 ARG  QB 3.3 1.00E+00 #good for hiv2ma
103 ILE  HA 106 ARG  QB 3.3 1.00E+00 #good for hiv2ma
104 VAL HA 107 HISB  QB 3.3 1.00E+00 #good for hiv2ma
105 ARG  HA 108 LEU QB 3.3 1.00E+00 #good for hiv2ma
106 ARG  HA 109 VAL QB 3.3 1.00E+00 #good for hiv2ma
107     HISB    HA      110     ALA     QB      3.3     1.00E+00 #good for hiv2ma 
108 LEU HA 111 GLU QB 3.3 1.00E+00 #good for hiv2ma
109 VAL  HA 112 THR  HB 3.3 1.00E+00 #good for hiv2ma
111 GLU HA 114 THR  HB 5.0 1.00E-01 #good for hiv2ma
112 THR  HA 115 ALA QB 5.0 1.00E-01 #good for hiv2ma

#################################################################################

##========================================
##DIFS   Differences between myr-MA and MA
##========================================
##MYR 1
1       MYRN    Q14     16      LEU     QD1     2.7     1.00E+00 #good for hiv2-myrma
1       MYRN    Q14     16      LEU     QD2     2.7     1.00E+00 #good for hiv2-myrma
1       MYRN    Q14     16      LEU     HG      5.0     1.00E+00 #good for hiv2-myrma
1       MYRN    Q14     34      ILE     QG2     3.3     1.00E+00 #good for hiv2-myrma
1       MYRN    Q14     34      ILE     QD1     3.3     1.00E+00 #good for hiv2-myrma
1       MYRN    Q14     85      ILE     QD1     3.3     1.00E+00 #good for hiv2-myrma
1       MYRN    Q14     85      ILE     QG2     3.3     1.00E+00 #good for hiv2-myrma

## Methylene groups 5-11 are degenerate.  We chose C8 as the "pseudoatom"
## for these degenerate protons, and added 3.5 A.

1       MYRN    C8      7       VAL     QG2     6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      8       LEU     HA      8.5     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      8       LEU     HG      6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      34      ILE     QG2     6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      34      ILE     QB      6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      34      ILE     QG1     6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      38      ALA     QB      6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      48      GLU     HB2     8.5     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      35      VAL     QG2     6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      51      LEU     QD1     6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      52      GLU     HA      6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      52      GLU     H       6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      85      ILE     QD1     8.5     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      85      ILE     QG2     8.5     1.00E+00 #good for hiv2-myrma
#####################################################################################


#VAL 7
7 VAL H 7 VAL HB 2.7 1.00E+00 #good for hiv2ma
7 VAL H 8 LEU H 2.7 1.00E+00 #good for hiv2ma
7 VAL HB 8 LEU H 2.7 1.00E+00 #good for hiv2ma
7 VAL HB 34 ILE QG2 5.0 1.00E+00 #Diff weak for myrma
#7 VAL HB 34 ILE QD1 5.0 1.00E+00 #Diff not obsvd for myrma
7 VAL QG2 34 ILE QG2 5.0 1.00E+00 #good for hiv2myrma but weaker than MA
7 VAL QG1 34 ILE QG2 5.0 1.00E+00 #good for hiv2myrma but weaker than MA
#7 VAL QG1 51 LEU QD1 5.0 1.00E+00 #OVERLAP
#7 VAL QG2 51 LEU QD1 5.0 1.00E+00 #OVERLAP
#7 VAL HA 52 GLU  HA 2.7 1.00E+00 #Diff not obsvd for myrma
#7      VAL     HA      52      GLU     QG      3.3     1.00E+00 #Diff not obsvd for myrma
#7      VAL     QG1     52      GLU     HA      3.3     1.00E+00 #Diff not obsvd for myrma
#7 VAL QG1 85 ILE QG1 5.0 1.00E+00 #Diff not obsvd for myrma
#7 VAL QG1 85 ILE QG2 5.0 1.00E+00 #OVERLAP
#7      VAL     QG1     85      ILE     QD1     5.0     1.00E+00 #Diff not obsvd for myrma
#7 VAL QG1 89 HISB HE1 5.0 1.00E+00 #Diff not obsvd for myrma

#LEU 8
8 LEU HA 8 LEU QD2 2.7 1.00E+00 #good for hiv2ma
8 LEU HG 8 LEU H 3.3 1.00E+00 #good for hiv2ma (Defines stereo & orientation)
8 LEU HA 9 ARG H 2.7 1.00E+00 #good for hiv2ma
8       LEU     QD2     9       ARG     H       3.3     1.00E+00 #good for hiv2ma
#8 LEU HB3 13 ALA H 3.3 1.00E+00 #Diff not obsvd for myrma
#8 LEU QD1 13 ALA H 5.0 1.00E+00 #very weak for myrma 
#8 LEU QD1 13 ALA HA 2.7 1.00E+00 #Diff not obsvd for myrma
#8      LEU     QD2     13      ALA     HA      5.0     1.00E+00 #Diff not obsvd for myrma
#8 LEU QB 13 ALA QB 5.0 1.00E+00 #Diff not obsvd for myrma
#8 LEU QD1 16 LEU H 5.0 1.00E+00 #overlap of 8 and 16-methyls
#8 LEU QD2 16 LEU H 5.0 1.00E+00 #overlap of 8 and 16-methyls
#8 LEU QD1 16 LEU HG 2.7 1.00E+00 #overlap of 8 and 16-methyls
#8      LEU     QD1     16      LEU     HB2     3.3     1.00E+00 #Diff not obsvd for myrma
#8      LEU     QD1     16      LEU     HB3     3.3     1.00E+00 #Diff not obsvd for myrma
#8 LEU HG 34 ILE QD1 3.3 1.00E+00 #Diff not obsvd for myrma
#8 LEU QD1 34 ILE QD1 3.3 1.00E+00 #Diff not obsvd for myrma
#8 LEU QD2 85 ILE QD1 5.0 1.00E+00 #OVERLAP
#8 LEU QD2 89 HISB HE1 2.7 1.00E+00 #Diff not obsvd for myrma

#ARG 9
9       ARG HA 9       ARG HB2 5.0 1.00E+00 #Diff. weaker in hiv2myrma
9 ARG HA 9 ARG HB3 5.0 1.00E+00 #Diff. weaker in hiv2myrma
9 ARG H 9 ARG HB3 5.0 1.00E+00 #Diff. weaker in hiv2myrma
#9 ARG HB2 10 GLY H 5.5 1.00E+00 #Diff not obsvd for myrma
9       ARG     QG      12      LYS     QG      5.0     1.00E+00 #Diff. weaker in hiv2myrma
9       ARG     QD      12      LYS     QD      5.0     1.00E+00 #Diff. weaker in hiv2myrma
#9 ARG H 13 ALA H 5.0 1.00E+00 #Diff not obsvd for myrma
#9 ARG HB2 12 LYS H 5.0 1.00E+00 #Diff not obsvd for myrma
#9 ARG HB3 12 LYS H 5.0 1.00E+00 #Diff not obsvd for myrma
#9 ARG H 89 HISB HE1 5.0 1.00E+00 #Diff not obsvd for myrma

#GLY 10
#10 GLY H 13 ALA QB 5.5 1.00E+00 #Diff not obsvd for myrma

#LYS 11

#LYS 12
12 LYS H 12 LYS HB2 3.3 1.00E+00 #Diff weak for myrma
12 LYS H 12 LYS HG3 5.0 1.00E+00 #Diff weak for myrma
12 LYS  HA 88 ILE QG2 5.0 1.00E+00 #Diff weak for myrma

#ALA 13 
13 ALA QB 14 ASP H 3.3 1.00E+00 #good for hiv2myrma
13      ALA     HA      16      LEU     QB      5.0     1.00E+00 #good for hiv2myrma

#LEU 16
16 LEU QD1 16 LEU HB3 3.3 1.00E+00 #good for hiv2ma
16      LEU     HA      16      LEU     HG      5.5     1.00E+00 #v.weak for hiv2ma (defines chirality)
16      LEU     HA      16      LEU     HB2     3.3     1.00E+00 #good for hiv2ma (defines chirality)
16      LEU     HA      16      LEU     HB3     5.0     1.00E+00 #good for hiv2ma (defines chirality)
16      LEU     HB3     17      GLU     H       3.3     1.00E+00 #good for hiv2ma
16      LEU     QD2     19      ILE     QD1     3.3     1.00E+00 #good for hiv2ma
16 LEU HA 19 ILE QD1 3.3 1.00E+00 #good for hiv2ma
16      LEU     HA      29      TYR     HD2     5.5     1.00E+00 #good for hiv2ma
16      LEU     QD1     29      TYR     HB3     2.7     1.00E+00 #good for hiv2ma
16      LEU     QD2     29      TYR     HB2     2.7     1.00E+00 #good for hiv2ma
16      LEU     QD2     29      TYR     HB3     2.7     1.00E+00 #good for hiv2ma
16      LEU     H       88      ILE     QD1     5.0     1.00E+00 #good for hiv2ma
16 LEU H 88 ILE QG1 5.0 1.00E+00 #good for hiv2ma
16 LEU H 88 ILE QG2 5.0 1.00E+00 #good for hiv2ma
16 LEU HA 88 ILE QD1 5.0 1.00E+00 #good for hiv2ma

#GLU 17
17 GLU QB 18 ARG H 3.3 1.00E+00 #good for hiv2ma
17 GLU  HA 29 TYR  HB2 5.0 1.00E+00 #good for hiv2ma

#ARG 18
18 ARG HA 28 LYS QD 3.3 1.00E+00 #good for hiv2ma
18 ARG HA 28 LYS QE 5.0 1.00E+00 #good for hiv2ma

#ILE 19
19 ILE H 28 LYS QB 5.0 1.00E+00 #good for hiv2ma 
19 ILE H 29 TYR HD2 5.0 1.00E+00 #good for hiv2ma
19 ILE HB 29 TYR HD2 2.7 1.00E+00 #good for hiv2ma
19 ILE QG2 29 TYR HD2 2.7 1.00E+00 #good for hiv2ma
19 ILE QG2 29 TYR HE2 2.7 1.00E+00 #good for hiv2ma
19 ILE QG2 29 TYR H 5.0 1.00E+00 #good for hiv2ma
19 ILE QG2 84 VAL QG2 5.0 1.00E+00 #good for hiv2ma
19 ILE QG2 84 VAL QG1 5.0 1.00E+00 #good for hiv2ma
19 ILE QD1 84 VAL QG1 2.7 1.00E+00 #good for hiv2ma
19 ILE HG12 94 VAL QG2 3.3 1.00E+00 #good for hiv2ma Confirm stereo VAL 94
19 ILE QD1 94 VAL QG2 2.7 1.00E+00 #good for hiv2ma
19 ILE QG2 96 ASP HA 2.7 1.00E+00 #good for hiv2ma
19 ILE QG2 96 ASP H 5.0 1.00E+00 #good for hiv2ma
19 ILE QG2 97 THR H 5.0 1.00E+00 #good for hiv2ma

#ARG 20
20 ARG  HA 28 LYS  HA 2.7 1.00E+00 #good for hiv2ma 
20      ARG     QB      22      ARG     H       3.3     1.00E+00 #good for hiv2ma

#LEU 21
21 LEU HA 21 LEU QD2 2.7 1.00E+0  #good for hiv2ma
21 LEU HG 21 LEU H 2.7 1.00E+00 #Very strong. Defines chirality
21 LEU HG 28 LYS HA 5.0 1.00E+00 #good for hiv2ma
21      LEU     QD1     28      LYS     H       5.0     1.00E+00 #good for hiv2ma
21 LEU QD2 29 TYR QE 3.3 1.00E+00 #good for hiv2ma
21 LEU QD2 29 TYR QD 3.3 1.00E+00 #good for hiv2ma
21 LEU QD2 29 TYR HA 3.3 1.00E+00 #good for hiv2ma
21 LEU QD2 29 TYR H 5.0 1.00E+00 #good for hiv2ma
21 LEU QD2 33 HISB HE1 5.0 1.00E+00 #good for hiv2ma
21 LEU QD1 33 HISB HE1 3.3 1.00E+00 #good for hiv2ma
21 LEU HA 97 THR H 5.0 1.00E+00 #good for hiv2ma

#ARG 22
22      ARG     HA      23      PRO     QD      2.7     1.00E+00 #good for hiv2ma
22      ARG     QB      23      PRO     QD      2.7     1.00E+00 #good for hiv2ma
22 ARG H 96 ASP HB2 5.0 1.00E+00 #good for hiv2ma
22 ARG H 96 ASP HB3 5.0 1.00E+00 #good for hiv2ma
22 ARG H 97 THR H 5.0 1.00E+00 #good for hiv2ma
22 ARG HA 97 THR H 5.0 1.00E+00 #good for hiv2ma
22 ARG HA 97 THR HB 5.0 1.00E+00 #good for hiv2ma

#PRO 23
23 PRO HB2 24 GLY H 3.3 1.00E+00 #good for hiv2ma
23 PRO HD2 24 GLY H 5.0 1.00E+00 #good for hiv2ma
23 PRO HA 96 ASP HB2 3.3 1.00E+00 #good for hiv2ma
23 PRO HA 96 ASP HB3 3.3 1.00E+00 #good for hiv2ma
23 PRO HA 97 THR H 5.0 1.00E+00 #good for hiv2ma
23      PRO     QD      98      GLU     QG      3.3     1.00E+00 #good for hiv2ma

#GLY 25
25      GLY     H       22      ARG     QB      3.3     1.00E+00 #good for hiv2ma

#LYS 27
27 LYS H 27 LYS QB 2.7 1.00E+00 #good for hiv2ma

#LYS 28
28      LYS     H       27      LYS     HA      2.7     1.00E+00 #good for hiv2ma

#TYR 29
29 TYR H 29 TYR HD2 3.3 1.00E+00 #good for hiv2ma
29 TYR HD1 33 HISB HD2 5.0 1.00E+00 #good for hiv2ma
29      TYR     HE1     33      HISB    HD2     5.0     1.00E+00 #good for hiv2ma
29 TYR HA 33 HISB HE1 3.3 1.00E+00 #good for hiv2ma
29 TYR HD1 33 HISB QB 2.7 1.00E+00 #good for hiv2ma
29      TYR     HE1     33      HISB    QB      3.3     1.00E+00 #good for hiv2ma
29 TYR HA 33 HISB QB 5.0 1.00E+00 #good for hiv2ma
29 TYR HE1 81 THR HA 3.3 1.00E+00 #good for hiv2ma
29 TYR HE1 81 THR QG2 3.3 1.00E+00 #good for hiv2ma
29 TYR HD1 81 THR QG2 5.0 1.00E+00 #good for hiv2ma
29 TYR HE2 84 VAL QG1 5.0 1.00E+00 #good for hiv2ma
29 TYR HE2 84 VAL QG2 5.0 1.00E+00 #good for hiv2ma
29 TYR HE1 84 VAL HB 5.0 1.00E+00 #good for hiv2ma
29 TYR HE2 97 THR H 5.0 1.00E+00 #good for hiv2ma
29 TYR HE2 97 THR HA 5.0 1.00E+00 #good for hiv2ma
29 TYR HE2 97 THR QG2 5.0 1.00E+00 #good for hiv2ma

#ARG 30
30 ARG  H 33 HISB HE1 3.3 1.00E+00 #good for hiv2ma
 30 ARG  QB 33 HISB HE1 3.3 1.00E+00 #good for hiv2ma (clear in 2D NOESY) 

#LEU 31
31 LEU HA 31 LEU QQD 2.7 1.00E+00 #good for hiv2ma
31 LEU H 31 LEU QD1 3.3 1.00E+00 #good for hiv2ma
31 LEU HA 34 ILE QD1 3.3 1.00E+00 #good for hiv2ma
31 LEU QQD 34 ILE QD1 5.0 1.00E+00 #good for hiv2ma

#HISB 33
33 HISB HD2 33 HISB H 5.0 1.00E+00 #good for hiv2ma
33 HISB HD2 33 HISB HA 2.9 1.00E+00 #good for hiv2ma
33 HISB HA 36 TRP HE3 5.0 1.00E+00 #good for hiv2ma

#ILE 34
34 ILE H 34 ILE HB 2.7 1.00E+00 #good for hiv2ma
34 ILE HB 35 VAL H 2.7 1.00E+00 #good for hiv2ma
34 ILE QG2 35 VAL QG2 5.0 1.00E+00 #good for hiv2ma
34      ILE     HA      37      ALA     QB      3.3     1.00E+00 #good for hiv2ma
34 ILE HA 81 THR QG2 5.0 1.00E+00 #good for hiv2ma
34      ILE     HA      85      ILE     QD1     5.0     1.00E+00 #good for hiv2ma
34      ILE     HG12    85      ILE     QD1     5.0     1.00E+00 #good for hiv2ma
34 ILE QD1 85 ILE QD1 3.3 1.00E+00 #good for hiv2ma
34 ILE QG2 85 ILE QD1 3.3 1.00E+00 #good for hiv2ma

#VAL 35 
35 VAL HA 35 VAL QG1 2.7 1.00E+00 #good for hiv2ma
35 VAL HA 35 VAL QG2 2.7 1.00E+00 #good for hiv2ma
35 VAL H 35 VAL QG2 2.7 1.00E+00 #good for hiv2ma
35 VAL H 35 VAL HB 2.7 1.00E+00 #good for hiv2ma
35 VAL HB 36 TRP H 2.7 1.00E+00 #good for hiv2ma
35      VAL     HA      38      ALA     QB      3.3     1.00E+00 #good for hiv2ma
35      VAL     QG1     38      ALA     QB      5.0     1.00E+00 #good for hiv2ma
35      VAL     QG2     38      ALA     QB      5.0     1.00E+00 #good for hiv2ma

#TRP 36
36 TRP HE3 37 ALA H 3.3 1.00E+00 #good for hiv2ma
36      TRP     HZ2     40      LYS     QE      5.0     1.00E+00 #good for hiv2ma
36 TRP HZ2 74 ASN  HA 5.0 1.00E+00 #good for hiv2ma
36      TRP     HZ2     74      ASN     HB3     5.0     1.00E+00 #good for hiv2ma
36      TRP     HH2     74      ASN     HA      5.0     1.00E+00 #good for hiv2ma
36 TRP HH2 78 LEU H 3.3 1.00E+00 #good for hiv2ma
36 TRP HZ3 78 LEU H 3.3 1.00E+00 #good for hiv2ma
36 TRP HZ3 78 LEU HA 2.7 1.00E+00 #good for hiv2ma
36 TRP HH2 78 LEU HA 5.0 1.00E+00 #good for hiv2ma
36 TRP HZ3 78 LEU QD1 5.0 1.00E+00 #good for hiv2ma
36      TRP     HE3     78      LEU     QD1     5.0     1.00E+00 #good for hiv2ma
36 TRP HZ3 81 THR H 5.0 1.00E+00 #good for hiv2ma
36      TRP     HE3     81      THR     QG2     5.0     1.00E+00 #good for hiv2ma

#ALA 37
37 ALA QB 38 ALA H 3.3 1.00E+00 #good for hiv2ma  
37 ALA HA 78 LEU QD1 2.7 1.00E+00 #good for hiv2ma
37 ALA QB 78 LEU QD1 3.3 1.00E+00 #good for hiv2ma
37 ALA QB 81 THR QG2 3.3 1.00E+00 #good for hiv2ma
37 ALA QB 81 THR HB 5.0 1.00E+00 #good for hiv2ma

#ALA 38
38      ALA     QB      48      GLU     QB      2.7     1.00E+00 #good for hiv2ma
38 ALA HA 51 LEU QD1 2.7 1.00E+00 #good for hiv2ma
38 ALA H 51 LEU QD1 3.3 1.00E+00 #good for hiv2ma
38      ALA     QB      51      LEU     QD1     3.3     1.00E+00 #good for hiv2ma

#LYS  40
40 LYS  QB 78 LEU QD1 3.3 1.00E+00 #good for hiv2ma

#LEU 41
41      LEU     HG      41      LEU     H       5.0     1.00E+00 #good for hiv2-ma (weak defines chirality)
41      LEU     HA      44      PHE     HD1     3.3     1.00E+00 #good for hiv2ma
41 LEU HA 46 LEU HB2 3.3 1.00E+00 #good for hiv2ma
41      LEU     QD2     46      LEU     HB2     3.3     1.00E+00 #good for hiv2ma
41 LEU HA 46 LEU QD1 5.0 1.00E+00 #good for hiv2ma
41      LEU     HA      46      LEU     QD2     5.0     1.00E+00 #good for hiv2ma
41 LEU QD1 48 GLU HA 2.7 1.00E+00 #good for hiv2ma
41 LEU QD1 48 GLU HB3 5.0 1.00E+00 #good for hiv2ma
41 LEU QD1 51 LEU HG 2.7 1.00E+00 #good for hiv2ma
41 LEU QD1 51 LEU QD2 3.3 1.00E+00 #good for hiv2ma
41 LEU QD1 60 ILE QD1 3.3 1.00E+00 #good for hiv2ma
41 LEU QD2 64 LEU QD1 5.0 1.00E+00 #good for hiv2ma
41 LEU H 78 LEU QD1 5.0 1.00E+00 #good for hiv2ma
41 LEU QD2 78 LEU QD1 5.0 1.00E+00 #good for hiv2ma
41 LEU QD2 78 LEU QD2 5.0 1.00E+00 #good for hiv2ma
41 LEU HG 38 ALA HA 5.0 1.00E+00 #good for hiv2ma

#ASP 42
42 ASP  H 48 GLU HB3 5.0 1.00E+00 #good for hiv2ma

#PHE 44
44 PHE HB2 44 PHE H 2.7 1.00E+00 #good for hiv2ma
44 PHE HB3 46 LEU QD1 5.0 1.00E+00 #good for hiv2ma
44 PHE QE 75 LEU HA 5.0 1.00E+00 #good for hiv2ma
44 PHE QE 75 LEU QD1 5.0 1.00E+00 #good for hiv2ma

#LEU 46
46 LEU HB2 46 LEU H 2.7 1.00E+00 #good for hiv2ma
46      LEU     HB3     46      LEU     H       5.0     1.00E+00 #good for hiv2ma
46 LEU HA 46 LEU QD2 3.3 1.00E+00 #good for hiv2ma #(weak, defines chirality) 
46 LEU HA 46 LEU QD2 5.0 1.00E+00 #good for hiv2ma #(defines chirality)
46 LEU H 46 LEU QD1 5.0 1.00E+00 #good for hiv2ma #(defines chirality)
46      LEU     H       46      LEU     HG      3.3     1.00E+00 #good for hiv2ma
46      LEU     HA      46      LEU     HG      5.0     1.00E+00 #good for hiv2ma
46 LEU QD2 47 ALA H 3.3 1.00E+00 #good for hiv2ma 
46 LEU QD2 50 LEU QD1 3.3 1.00E+00 #good for hiv2ma
46 LEU QD1 60 ILE HA 3.3 1.00E+00 #good for hiv2ma
46 LEU QD1 60 ILE QG2 5.0 1.00E+00 #good for hiv2ma
46 LEU QD2 63 VAL HB 5.0 1.00E+00 #good for hiv2ma

#ALA 47 
47 ALA HA 49 SER H 5.0 1.00E+00 #good for hiv2ma  
47 ALA QB 49 SER H 2.7 1.00E+00 #good for hiv2ma
47 ALA QB 50 LEU QD1 5.0 1.00E+00 #good for hiv2ma
47 ALA H 50 LEU QD1 5.0 1.00E+00 #good for hiv2ma
47 ALA QB 50 LEU H 5.0 1.00E+00 #good for hiv2ma

#SER 49
49      SER     H       50      LEU     HG      5.0     1.00E+00 #good for hiv2ma
49      SER     HA      52      GLU     QG      3.3     1.00E+00 #good for hiv2ma
49      SER     QB      52      GLU     QG      5.0     1.00E+00 #good for hiv2ma

#LEU 50
50 LEU H 50 LEU HG 2.7 1.00E+00 #good for hiv2ma
50 LEU HA 50 LEU HG 3.3 1.00E+00 #good for hiv2ma
50 LEU HA 50 LEU QD2 2.7 1.00E+00 #good for hiv2ma
50 LEU H 50 LEU HB2 2.7 1.00E+00 #good for hiv2ma
50 LEU HA 56 GLY HA3 3.3 1.00E+00 #good for hiv2ma
50 LEU QD2 56 GLY HA3 3.3 1.00E+00 #good for hiv2ma
50 LEU QD2 56 GLY HA2 3.3 1.00E+00 #good for hiv2ma

#LEU 51
51 LEU HA 51 LEU QD2 2.7 1.00E+00 #good for hiv2ma
51 LEU HG 51 LEU H 3.3 1.00E+00 #good for hiv2ma
51 LEU HG 51 LEU HA 3.3 1.00E+00 #good for hiv2ma
51 LEU QD2 57 CYS HA 5.0 1.00E+00 #good for hiv2ma
51 LEU HA 57 CYS HA 5.0 1.00E+00 #good for hiv2ma
51 LEU HA 60 ILE QD1 5.0 1.00E+00 #good for hiv2ma
51 LEU HG 60 ILE QD1 5.0 1.00E+00 #good for hiv2ma
51 LEU QD2 60 ILE QD1 3.3 1.00E+00 #good for hiv2ma
51      LEU     HA      85      ILE     QG2     5.0     1.00E+00 #good for hiv2ma
51 LEU QD2 85 ILE QD1 2.7 1.00E+00 #good for hiv2ma 

#SER 53          
53 SER HA 53 SER QB 2.7 1.00E+00 #good for hiv2ma (helix cap)
53 SER QB 56 GLY H 5.0 1.00E+00 #good for hiv2ma
53 SER HA 89 HISB HD2 5.0 1.00E+00 #good for hiv2ma

#LYS 54
54 LYS HA 86 TRP HD1 3.3 1.00E+00 #good for hiv2ma
54      LYS     QD      86      TRP     HZ2     5.0     1.00E+00 #good for hiv2ma
54      LYS     QG      86      TRP     HE1     5.0     1.00E+00 #good for hiv2ma
54      LYS     QD      86      TRP     HE1     5.0     1.00E+00 #good for hiv2ma  
54 LYS HA 89 HISB HB2 3.3 1.00E+00 #good for hiv2ma
54 LYS HA 89 HISB HB3 5.0 1.00E+00 #good for hiv2ma
54 LYS HA 89 HISB HD2 3.3 1.00E+00 #good for hiv2ma
54 LYS H 89 HISB HD2 5.0 1.00E+00 #good for hiv2ma
54 LYS H 89 HISB HB3 3.3 1.00E+00 #good for hiv2ma

#GLU  55

#GLY  56
56      GLY     H       50      LEU     QD2     5.0     1.00E+00 #good for hiv2ma

#CYS 57
57      CYS     H       86      TRP     HD1     5.0     1.00E+00 #good for hiv2ma
57 CYS HB2 86 TRP HD1 2.7 1.00E+00 #good for hiv2ma
57 CYS HB3 86 TRP H 5.0 1.00E+00 #good for hiv2ma
57 CYS HB2 89 HISB HD2 5.0 1.00E+00 #good for hiv2ma

#GLN 58 
58 GLN  H 86 TRP HD1 3.3 1.00E+00 #good for hiv2ma
58 GLN  H 86 TRP HE1 5.0 1.00E+00 #good for hiv2ma
58      GLN     QB      86      TRP     HE1     5.0     1.00E+00 #good for hiv2ma
58      GLN     QG      86      TRP     HE1     5.0     1.00E+00 #good for hiv2ma
58      GLN     QB      86      TRP     HD1     5.0     1.00E+00 #good for hiv2ma
58      GLN     QG      86      TRP     HD1     5.0     1.00E+00 #good for hiv2ma (very close in SIV-MA x-ray struct.) 

#ILE 60
60 ILE H 60 ILE QD1 5.0 1.00E+00 #good for hiv2ma
60 ILE H 60 ILE HB 3.3 1.00E+00 #good for hiv2ma
60      ILE     H       60      ILE     HG13    2.7     1.00E+00 #good for hiv2ma
60 ILE QG2 61 LEU H 5.0 1.00E+00 #good for hiv2ma
60 ILE HB 61 LEU H 2.7 1.00E+00 #good for hiv2ma
60 ILE QG2 64 LEU QD1 3.3 1.00E+00 #good for hiv2ma
60 ILE QG2 64 LEU HG 3.3 1.00E+00 #good for hiv2ma

#LEU 61 
61 LEU HA 61 LEU QD2 2.7 1.00E+00 #good for hiv2ma
61 LEU H 61 LEU HB2 2.7 1.00E+00 #good for hiv2ma (define stereochemistry)
61      LEU     H       61      LEU     HG      2.7     1.00E+00 #good for hiv2ma (define stereochemistry)
61 LEU HB2 62 THR H 3.3 1.00E+00 #good for hiv2ma
61 LEU HA 64 LEU QD1 5.0 1.00E+00 #good for hiv2ma
61 LEU HA 79 PHE HE1 3.3 1.00E+00 #good for hiv2ma
61 LEU HA 79 PHE HD1 3.3 1.00E+00 #good for hiv2ma
61 LEU QD2 79 PHE HE1 3.3 1.00E+00 #good for hiv2ma 
61 LEU QD2 79 PHE HD1 3.3 1.00E+00 #good for hiv2ma
61 LEU QD2 79 PHE HA 5.0 1.00E+00 #good for hiv2ma
61 LEU QD2 82 VAL QG2 3.3 1.00E+00 #good for hiv2ma
61 LEU QD2 82 VAL HB 2.7 1.00E+00 #good for hiv2ma
61 LEU H 82 VAL QG2 5.0 1.00E+00 #good for hiv2ma
61 LEU QD2 83 CYS HA 5.0 1.00E+00 #good for hiv2ma
61 LEU QD1 83 CYS HA 3.3 1.00E+00 #good for hiv2ma
61 LEU QD2 83 CYS H 3.3 1.00E+00 #good for hiv2ma
61 LEU QD1 86 TRP HB2 5.0 1.00E+00 #good for hiv2ma
61 LEU QD1 86 TRP HB3 5.0 1.00E+00 #good for hiv2ma
61      LEU     QD1     86      TRP     HD1     5.0     1.00E+00 #good for hiv2ma
61 LEU QD1 104 VAL QG1 3.3 1.00E+00 #good for hiv2ma 

#THR 62
62      THR     QG2     59      LYS     HA      3.3     1.00E+00 #good for hiv2ma
62      THR     HB      59      LYS     HA      3.3     1.00E+00 #good for hiv2ma
62      THR     H       62      THR     HB      2.7     1.00E+00 #good for hiv2ma

#LEU 64
64      LEU     H       64      LEU     HG      2.7     1.00E+00 #good for hiv2ma
64 LEU HA 64 LEU HG 5.0 1.00E+00 #good for hiv2ma
64 LEU HA 64 LEU QD2 3.3 1.00E+00 #good for hiv2ma
64      LEU     HA      67      MET     HB2     3.3     1.00E+00 #good for hiv2ma
64      LEU     HA      67      MET     QG      5.0     1.00E+00 #good for hiv2ma
64 LEU HA 75 LEU QD1 5.0 1.00E+00 #good for hiv2ma
64 LEU QD2 75 LEU QD1 5.0 1.00E+00 #good for hiv2ma
64 LEU QD1 78 LEU QD2 5.0 1.00E+00 #good for hiv2ma
64 LEU QD2 78 LEU QD2 5.0 1.00E+00 #good for hiv2ma
64 LEU QD1 78 LEU HG 3.3 1.00E+00 #good for hiv2ma
64 LEU QD1 79 PHE H 5.0 1.00E+00 #good for hiv2ma
64 LEU QD1 79 PHE HA 3.3 1.00E+00 #good for hiv2ma
64 LEU QD1 79 PHE HD1 3.3 1.00E+00 #good for hiv2ma
64 LEU QD1 82 VAL QG1 3.3 1.00E+00 #good for hiv2ma

#ASP 65
65 ASP H 66 PRO HD2 3.3 1.00E+00 #good for hiv2ma
65 ASP H 66 PRO HD3 3.3 1.00E+00 #good for hiv2ma
65      ASP     QB      66      PRO     QD      2.7     1.00E+00 #good for hiv2ma
65 ASP QB 79 PHE HE1 5.0 1.00E+00 #good for hiv2ma
65 ASP H 79 PHE HE1 5.0 1.00E+00 #good for hiv2ma
65 ASP H 79 PHE HD1 5.0 1.00E+00 #good for hiv2ma
65 ASP HA 79 PHE HE1 3.3 1.00E+00 #good for hiv2ma
65 ASP HA 79 PHE HD1 5.0 1.00E+00 #good for hiv2ma

#PRO 66
66      PRO     HB2     67      MET     H       5.0     1.00E+00 #good for hiv2ma
66      PRO     HG2     67      MET     H       3.3     1.00E+00 #good for hiv2ma
66 PRO HD2 67 MET H 3.3 1.00E+00 #good for hiv2ma

#MET 67
67 MET QB 75 LEU QD1 5.0 1.00E+00 #good for hiv2ma 
67 MET QB 75 LEU QD2 5.0 1.00E+00 #good for hiv2ma

#VAL 68
68      VAL     H       66      PRO     HD2     5.0     1.00E+00 #good for hiv2ma 
68 VAL H 68 VAL QG2 3.3 1.00E+00 #good for hiv2ma
68 VAL H 68 VAL HB 2.7 1.00E+00 #good for hiv2ma
68 VAL HA 68 VAL QG2 2.7 1.00E+00 #good for hiv2ma
68 VAL HA 75 LEU QD2 2.7 1.00E+00 #good for hiv2ma
68 VAL QG2 75 LEU QD2 3.3 1.00E+00 #good for hiv2ma
68 VAL QG2 76 LYS  HA 3.3 1.00E+00 #good for hiv2ma
68      VAL     QG2     76      LYS     QB      5.0     1.00E+00 #good for hiv2ma
68 VAL QG2 76 LYS  QG 3.3 1.00E+00 #good for hiv2ma
68      VAL     QG1     76      LYS     QG      3.3     1.00E+00 #good for hiv2ma
68      VAL     QG1     76      LYS     QE      3.3     1.00E+00 #good for hiv2ma
68 VAL QG2 79 PHE QE 2.7 1.00E+00 #good for hiv2ma
68 VAL QG2 79 PHE QD 2.7 1.00E+00 #good for hiv2ma
68 VAL QG2 79 PHE HB2 3.3 1.00E+00 #good for hiv2ma
68 VAL QG2 79 PHE HB3 3.3 1.00E+00 #good for hiv2ma

#PRO 69
69 PRO HB2 70 THR H 5.0 1.00E+00 #good for hiv2ma
69      PRO     HG2     70      THR     H       3.3     1.00E+00 #good for hiv2ma
69      PRO     HD2     70      THR     H       3.3     1.00E+00 #good for hiv2ma
69      PRO     HB2     70      THR     HG2     5.0     1.00E+00 #good for hiv2ma
69      PRO     HG2     70      THR     HG2     5.0     1.00E+00 #good for hiv2ma

#GLY 71
71 GLY H 75 LEU QD2 5.0 1.00E+00 #good for hiv2ma
71 GLY HA3 75 LEU QD2 3.3 1.00E+00 #good for hiv2ma
71 GLY HA2 75 LEU QD2 5.0 1.00E+00 #good for hiv2ma
71      GLY     H       76      LYS     QE      5.0     1.00E+00 #good for hiv2ma

#SER 72
72 SER H 72 SER HB3 2.7 1.00E+00 #good for hiv2ma 
72 SER HB2 73 GLU H 2.7 1.00E+00 #good for hiv2ma
72 SER H 75 LEU QD2 5.0 1.00E+00 #good for hiv2ma
72 SER H 75 LEU QB 5.0 1.00E+00 #good for hiv2ma

#SER 74
74      ASN     HA      77      SER     QB      5.0     1.00E+00 #good for hiv2ma

#LEU 75
75 LEU H 75 LEU QB 2.7 1.00E+00 #good for hiv2ma
75      LEU     HA      75      LEU     HG      2.7     1.00E+00 #good for hiv2ma
75 LEU HG 79 PHE H 5.0 1.00E+00 #good for hiv2ma (Defines stereochemistry)

#SER 77
77      SER     QB      36      TRP     HH2     3.3     1.00E+00 #good for hiv2ma
77      SER     HA      80      ASN     QB      3.3     1.00E+00 #good for hiv2ma

#LEU 78
78 LEU HA 78 LEU QD1 2.7 1.00E+00 #good for hiv2ma
78 LEU QB 79 PHE H 3.3 1.00E+00 #good for hiv2ma
78 LEU HG 82 VAL QG2 3.3 1.00E+00 #good for hiv2ma
78 LEU QD1 82 VAL QG2 3.3 1.00E+00 #good for hiv2ma

#PHE 79
79 PHE HE2 101 LYS QG 5.0 1.00E+00 #good for hiv2ma
79 PHE HD2 101 LYS QG 5.0 1.00E+00 #good for hiv2ma

#ASN 80
80 ASN HA 97 THR QG2 5.0 1.00E+00 #good for hiv2ma  
80 ASN QB 97 THR QG2 3.3 1.00E+00 #good for hiv2ma
80 ASN HA 101 LYS QG 3.3 1.00E+00 #good for hiv2ma

#THR 81
81 THR HA 81 THR QG2 2.7 1.00E+00 #good for hiv2ma 
81 THR HB 81 THR H 2.7 1.00E+00 #good for hiv2ma
81 THR HB 82 VAL H 2.7 1.00E+00 #good for hiv2ma

#VAL 82
82 VAL HA 82 VAL QG2 2.7 1.00E+00 #good for hiv2ma
82 VAL H 82 VAL HB 2.7 1.00E+00 #good for hiv2ma
82 VAL HB 83 CYS H 3.3 1.00E+00 #good for hiv2ma
82 VAL QG1 83 CYS H 5.0 1.00E+00 #good for hiv2ma

#CYS 83
83 CYS QB 100 ALA QB 5.0 1.00E+00 #good for hiv2ma
83      CYS     QB      101     LYS     HA      5.0     1.00E+00 #good for hiv2ma
83 CYS HA 104 VAL QG2 2.7 1.00E+00 #good for hiv2ma
83 CYS QB 104 VAL QG2 3.3 1.00E+00 #good for hiv2ma
83 CYS QB 104 VAL QG1 5.0 1.00E+00 #good for hiv2ma

#VAL 84
84 VAL H 84 VAL HB 2.7 1.00E+00 #good for hiv2ma
84 VAL H 84 VAL QG2 3.3 1.00E+00 #good for hiv2ma
84 VAL HA 84 VAL QG2 2.7 1.00E+00 #good for hiv2ma
84 VAL HA 84 VAL QG1 2.7 1.00E+00 #good for hiv2ma
84 VAL HB 85 ILE H 2.7 1.00E+00 #good for hiv2ma
84 VAL QG1 88 ILE QG2 5.0 1.00E+00 #good for hiv2ma
84 VAL QG1 94 VAL QG2 5.0 1.00E+00 #good for hiv2ma
84 VAL HA 94 VAL QG2 5.0 1.00E+00 #good for hiv2ma
84 VAL QG2 97 THR HA 2.7 1.00E+00 #good for hiv2ma
84      VAL     QG2     97      THR     QG2     2.7     1.00E+00 #good for hiv2ma
84 VAL QG2 100 ALA QB 3.3 1.00E+00 #good for hiv2ma
84 VAL H 100 ALA QB 5.0 1.00E+00 #good for hiv2ma
84 VAL HA 100 ALA QB 2.7 1.00E+00 #good for hiv2ma

#ILE 85
85 ILE QD1 85 ILE HA 3.3 1.00E+00 #good for hiv2ma 
85 ILE HB 85 ILE H 2.7 1.00E+00 #good for hiv2ma
85      ILE     QG1     85      ILE     H       2.7     1.00E+00 #good for hiv2ma
85 ILE HB 86 TRP H 3.3 1.00E+00 #good for hiv2ma
85 ILE HA 88 ILE HB 3.3 1.00E+00 #good for hiv2ma
85 ILE QG2 89 HISB HD2 2.7 1.00E+00 #good for hiv2ma

#TRP 86
86 TRP H 86 TRP HB2 2.7 1.00E+00 #good for hiv2ma
86 TRP H 86 TRP HB3 2.7 1.00E+00 #good for hiv2ma
86      TRP     HE3     87      CYS     HA      2.7     1.00E+00 #good for hiv2ma
86 TRP HB3 87 CYS H 2.7 1.00E+00 #good for hiv2ma
86 TRP HA 89 HISB HD2 3.3 1.00E+00 #good for hiv2ma
86      TRP     QB      104     VAL     QG2     5.0     1.00E+00 #good for hiv2ma
86 TRP HE3 104 VAL QG2 2.7 1.00E+00 #good for hiv2ma
86 TRP HZ3 104 VAL QG2 5.0 1.00E+00 #good for hiv2ma

#CYS 87
87      CYS     HA      90      ALA     QB      2.7     1.00E+00 #good for hiv2ma
87 CYS HB3 92 GLU QB 5.0 1.00E+00 #good for hiv2ma
87 CYS HA 92 GLU QB 3.3 1.00E+00 #good for hiv2ma
87 CYS HB3 92 GLU H 5.0 1.00E+00 #good for hiv2ma
87 CYS HA 92 GLU H 5.0 1.00E+00 #good for hiv2ma
87 CYS HB3 94 VAL QG1 5.0 1.00E+00 #good for hiv2ma 
87 CYS HB2 100 ALA QB 5.0 1.00E+00 #good for hiv2ma
87 CYS HA 104 VAL QG2 5.0 1.00E+00 #good for hiv2ma
87 CYS H 104 VAL QG2 5.0 1.00E+00 #good for hiv2ma

#ILE 88
88 ILE HA 88 ILE QG1 2.7 1.00E+00 #good for hiv2ma 
88 ILE HA 88 ILE QG2 2.7 1.00E+00 #good for hiv2ma
88 ILE H 88 ILE HG13 2.7 1.00E+00 #good for hiv2ma
88 ILE H 88 ILE HB 2.7 1.00E+00 #good for hiv2ma
88 ILE HB 89 HISB H 2.7 1.00E+00 #good for hiv2ma

#HISB 89
89 HISB HD2 89 HISB HB2 3.3 1.00E+00 #good for hiv2ma

#ALA 90
90      ALA     HA      54      LYS     QD      2.9     1.00E+00 #good for hiv2ma
90      ALA     HA      54      LYS     QE      3.3     1.00E+00 #good for hiv2ma
90      ALA     QB      86      TRP     HH2     3.3     1.00E+00 #good for hiv2ma
90      ALA     QB      86      TRP     HZ2     3.3     1.00E+00 #good for hiv2ma
90      ALA     QB      86      TRP     HZ3     3.3     1.00E+00 #good for hiv2ma
90      ALA     QB      86      TRP     HE3     3.3     1.00E+00 #good for hiv2ma
90 ALA QB 92 GLU QB 3.3 1.00E+00 #good for hiv2ma
90      ALA     QB      92      GLU     QG      2.7     1.00E+00 #good for hiv2ma

#GLU 91
91      GLU     HA      88      ILE     HA      5.0     1.00E+00 #good for hiv2ma

#GLU 92
92      GLU     H       92      GLU     QB      3.3     1.00E+00 #good for hiv2ma
92      GLU     HA      94      VAL     QG1     5.0     1.00E+00 #good for hiv2ma
92 GLU QB 94 VAL QG1 5.0 1.00E+00 #good for hiv2ma
92 GLU QB 103 ILE  QG2 3.3 1.00E+00 #good for hiv2ma
92      GLU     QB      103     ILE     QD1     3.3     1.00E+00 #good for hiv2ma
92      GLU     QG      103     ILE     QG2     3.3     1.00E+00 #good for hiv2ma
92      GLU     QG      103     ILE     QD1     5.0     1.00E+00 #good for hiv2ma

#VAL 94
94 VAL H 94 VAL QG1 3.3 1.00E+00 #good for hiv2ma
94 VAL H 94 VAL QG2 2.7 1.00E+00 #good for hiv2ma
94 VAL HA 94 VAL HB 2.7 1.00E+00 #good for hiv2ma
94 VAL HB 95 LYS  H 3.3 1.00E+00 #good for hiv2ma
94 VAL HB 96 ASP  H 3.3 1.00E+00 #good for hiv2ma
94      VAL     QG2     96      ASP     H       5.0     1.00E+00 #good for hiv2ma
94 VAL HB 100 ALA QB 5.0 1.00E+00 #good for hiv2ma
94 VAL HB 100 ALA H 3.3 1.00E+00 #good for hiv2ma
94 VAL HB 100 ALA HA 5.0 1.00E+00 #good for hiv2ma
94 VAL QG1 100 ALA HA 2.7 1.00E+00 #good for hiv2ma
94 VAL QG1 100 ALA QB 3.3 1.00E+00 #good for hiv2ma
94      VAL     QG2     100     ALA     QB      2.7     1.00E+00 #good for hiv2ma
94      VAL     QG1 103     ILE     QD1 2.7 1.00E+00 #good for hiv2ma

#ASP 96
96      ASP     H       96      ASP     HB3     3.3     1.00E+00 #good for hiv2ma
96 ASP HA 96 ASP HB2 2.7 1.00E+00 #good for hiv2ma
96 ASP HA 96 ASP HB3 2.7 1.00E+00 #good for hiv2ma
96      ASP     HB2     97      THR     H       3.3     1.00E+00 #good for hiv2ma
96 ASP HB2 98 GLU H 3.3 1.00E+00 #good for hiv2ma

#THR 97
97 THR HB 98 GLU H 3.3 1.00E+00 #good for hiv2ma
97      THR     HA      100     ALA     QB      3.3     1.00E+00 #good for hiv2ma

#ALA 100
100 ALA HA 100 ALA H 3.3 1.00E+00 #good for hiv2ma
100     ALA     QB      100     ALA     H       2.7     1.00E+00 #good for hiv2ma

#LYS 101
101 LYS HA 101 LYS QB 2.7 1.00E+00 #good for hiv2ma

#ILE 103
103 ILE HB 103 ILE H 2.7 1.00E+00 #good for hiv2ma
103     ILE     HG13    103     ILE     H       2.7     1.00E+00 #good for hiv2ma
103     ILE     HG12    103     ILE     HA      2.7     1.00E+00 #good for hiv2ma
103     ILE     HG13    103     ILE     HB      2.7     1.00E+00 #good for hiv2ma

#VAL 104
104 VAL HB 105 ARG H 3.3 1.00E+00 #good for hiv2ma
104     VAL     QG1     105     ARG     H       3.3     1.00E+00 #good for hiv2ma
104     VAL     HA      107     HISB    QB      5.0     1.00E+00 #good for hiv2ma
104     VAL     QG1     108     LEU     QD1     2.7     1.00E+00 #good for hiv2ma
104     VAL     QG1     108     LEU     QB      5.0     1.00E+00 #good for hiv2ma

#ARG 105
105 ARG QG 109 VAL QG2 3.3 1.00E+00 #good for hiv2ma

#HISB 107
107     HISB    HD2     103     ILE     QG2    2.7     1.00E+00 #good for hiv2ma
107     HISB    HB2     107     HISB    H      2.7     1.00E+00 #good for hiv2ma
107     HISB    HB3     107     HISB    HA     2.7     1.00E+00 #good for hiv2ma
107     HISB    HB2     107     HISB    HD2    3.3     1.00E+00 #good for hiv2ma

#LEU 108
108     LEU     HA      108     LEU     QD2    2.7     1.00E+00 #good for hiv2ma
108     LEU     HG      108     LEU     H      2.7     1.00E+00 #good for hiv2ma

#THR 112
112     THR     HA      112     THR     QG2    2.7     1.00E+00 #good for hiv2ma

################ Side Chain H-bonds ###################

21      LEU     H       27      LYS     O       2.0     1.00E+00
21      LEU     N       27      LYS     O       3.0     1.00E+00

29 TYR OH 97 THR HG1 2.0 1.00E+00
29 TYR OH 97 THR OG1 3.0 1.00E+00

30      ARG     H       33      HISB    ND1     2.0     1.00E+00
30      ARG     N       33      HISB    ND1     3.0     1.00E+00

56 GLY H 53 SER OG 2.0 1.00E+00 #Helix cap
56 GLY N 53 SER OG 3.0 1.00E+00 #Helix cap

#89 HISB ND1 12 LYS QZ 2.0 1.00E+00 #Diff
#89 HISB ND1 12 LYS NZ 3.0 1.00E+00 #diff

#89 HISB HE2 51 LEU O 2.0 1.00E+00 #Diff
#89 HISB NE2 51 LEU O 3.0 1.00E+00 #Diff

92      GLU     OE1     107     HISB    HE2     2.0     1.00E+00
92      GLU     OE1     107     HISB    NE2     3.0     1.00E+00

99      GLY     H       96      ASP     OD1     2.0     1.00E+00
99      GLY     N       96      ASP     OD1     3.0     1.00E+00


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   2           H        GLY   2  -8.779  11.869  -0.297
    2    HA2  GLY   2           2HA      GLY   2 -11.324  12.302  -1.679
    3    HA3  GLY   2           3HA      GLY   2 -10.617  13.350  -0.459
    4    H21  MYR   1           1H2      MYR   1  -8.870   9.096  -0.043
    5    H22  MYR   1           2H2      MYR   1  -7.576   9.842  -0.959
    6    H31  MYR   1           1H3      MYR   1  -7.750   8.278  -2.749
    7    H32  MYR   1           2H3      MYR   1  -9.494   8.089  -2.555
    8    H41  MYR   1           1H4      MYR   1  -8.666   5.993  -1.787
    9    H42  MYR   1           2H4      MYR   1  -8.940   6.864  -0.276
   10    H51  MYR   1           1H5      MYR   1  -6.436   7.598  -0.369
   11    H52  MYR   1           2H5      MYR   1  -6.236   6.487  -1.726
   12    H61  MYR   1           1H6      MYR   1  -7.615   5.019   0.388
   13    H62  MYR   1           2H6      MYR   1  -6.276   5.884   1.146
   14    H71  MYR   1           1H7      MYR   1  -5.158   4.825  -1.280
   15    H72  MYR   1           2H7      MYR   1  -6.209   3.538  -0.684
   16    H81  MYR   1           1H8      MYR   1  -4.711   2.990   0.961
   17    H82  MYR   1           2H8      MYR   1  -4.749   4.632   1.610
   18    H91  MYR   1           1H9      MYR   1  -2.848   5.331   0.388
   19    H92  MYR   1           2H9      MYR   1  -3.135   4.208  -0.942
   20   H101  MYR   1          1H10      MYR   1  -2.320   2.297   0.345
   21   H102  MYR   1          2H10      MYR   1  -2.330   3.184   1.861
   22   H111  MYR   1          1H11      MYR   1  -0.396   4.557   1.155
   23   H112  MYR   1          2H11      MYR   1  -0.557   4.020  -0.510
   24   H121  MYR   1          1H12      MYR   1  -0.164   1.724   1.372
   25   H122  MYR   1          2H12      MYR   1   1.167   2.880   1.422
   26   H131  MYR   1          1H13      MYR   1   1.922   2.313  -0.691
   27   H132  MYR   1          2H13      MYR   1   0.299   2.308  -1.384
   28   H141  MYR   1          3H14      MYR   1   1.783   0.000   0.000
   29   H142  MYR   1          1H14      MYR   1   0.000   0.000   0.000
   30   H143  MYR   1          2H14      MYR   1   0.892   0.000  -1.539
  Start of MODEL    2
    1    H1   GLY   2           H        GLY   2  -7.620   8.868  -5.558
    2    HA2  GLY   2           2HA      GLY   2  -6.110   9.460  -7.193
    3    HA3  GLY   2           3HA      GLY   2  -4.830   8.894  -6.131
    4    H21  MYR   1           1H2      MYR   1  -8.412   8.020  -3.706
    5    H22  MYR   1           2H2      MYR   1  -7.187   7.840  -2.466
    6    H31  MYR   1           1H3      MYR   1  -8.086   5.439  -4.209
    7    H32  MYR   1           2H3      MYR   1  -8.990   5.912  -2.769
    8    H41  MYR   1           1H4      MYR   1  -6.055   5.725  -2.224
    9    H42  MYR   1           2H4      MYR   1  -6.700   4.209  -2.859
   10    H51  MYR   1           1H5      MYR   1  -7.580   3.722  -0.804
   11    H52  MYR   1           2H5      MYR   1  -8.648   5.122  -0.928
   12    H61  MYR   1           1H6      MYR   1  -7.522   5.854   0.955
   13    H62  MYR   1           2H6      MYR   1  -6.319   6.424  -0.203
   14    H71  MYR   1           1H7      MYR   1  -5.873   3.554   0.413
   15    H72  MYR   1           2H7      MYR   1  -5.944   4.496   1.904
   16    H81  MYR   1           1H8      MYR   1  -4.034   5.796   1.363
   17    H82  MYR   1           2H8      MYR   1  -4.277   5.646  -0.380
   18    H91  MYR   1           1H9      MYR   1  -3.108   3.638  -0.525
   19    H92  MYR   1           2H9      MYR   1  -3.743   3.019   0.999
   20   H101  MYR   1          1H10      MYR   1  -1.885   3.669   2.149
   21   H102  MYR   1          2H10      MYR   1  -2.005   5.329   1.585
   22   H111  MYR   1          1H11      MYR   1  -0.035   4.917   0.464
   23   H112  MYR   1          2H11      MYR   1  -1.025   4.049  -0.698
   24   H121  MYR   1          1H12      MYR   1  -0.687   1.973   1.025
   25   H122  MYR   1          2H12      MYR   1   0.735   2.895   1.511
   26   H131  MYR   1          1H13      MYR   1   1.800   2.676  -0.603
   27   H132  MYR   1          2H13      MYR   1   0.281   2.508  -1.485
   28   H141  MYR   1          3H14      MYR   1   1.857   0.368   0.027
   29   H142  MYR   1          1H14      MYR   1   0.083   0.195  -0.021
   30   H143  MYR   1          2H14      MYR   1   1.014   0.259  -1.535
  Start of MODEL    3
    1    H1   GLY   2           H        GLY   2  -3.758   6.832  -6.609
    2    HA2  GLY   2           2HA      GLY   2  -3.432   6.792  -8.923
    3    HA3  GLY   2           3HA      GLY   2  -5.051   7.439  -9.140
    4    H21  MYR   1           1H2      MYR   1  -6.836   7.775  -4.915
    5    H22  MYR   1           2H2      MYR   1  -5.129   7.920  -4.546
    6    H31  MYR   1           1H3      MYR   1  -4.822   5.575  -4.389
    7    H32  MYR   1           2H3      MYR   1  -5.959   5.232  -5.693
    8    H41  MYR   1           1H4      MYR   1  -6.967   4.395  -3.632
    9    H42  MYR   1           2H4      MYR   1  -7.898   5.816  -4.116
   10    H51  MYR   1           1H5      MYR   1  -7.585   6.446  -1.905
   11    H52  MYR   1           2H5      MYR   1  -6.053   7.080  -2.513
   12    H61  MYR   1           1H6      MYR   1  -5.259   4.484  -2.023
   13    H62  MYR   1           2H6      MYR   1  -6.579   4.580  -0.855
   14    H71  MYR   1           1H7      MYR   1  -5.561   6.528   0.273
   15    H72  MYR   1           2H7      MYR   1  -4.371   6.734  -1.014
   16    H81  MYR   1           1H8      MYR   1  -4.309   3.982   0.180
   17    H82  MYR   1           2H8      MYR   1  -4.010   5.247   1.375
   18    H91  MYR   1           1H9      MYR   1  -2.173   6.208  -0.054
   19    H92  MYR   1           2H9      MYR   1  -2.498   5.020  -1.316
   20   H101  MYR   1          1H10      MYR   1  -1.823   3.150   0.136
   21   H102  MYR   1          2H10      MYR   1  -1.738   4.172   1.562
   22   H111  MYR   1          1H11      MYR   1   0.292   5.279   0.774
   23   H112  MYR   1          2H11      MYR   1   0.021   4.758  -0.881
   24   H121  MYR   1          1H12      MYR   1   0.338   2.488   1.085
   25   H122  MYR   1          2H12      MYR   1   1.770   3.498   0.884
   26   H131  MYR   1          1H13      MYR   1   2.154   2.790  -1.302
   27   H132  MYR   1          2H13      MYR   1   0.440   2.777  -1.722
   28   H141  MYR   1          3H14      MYR   1   0.264   0.494  -1.290
   29   H142  MYR   1          1H14      MYR   1   2.043   0.474  -1.184
   30   H143  MYR   1          2H14      MYR   1   1.064   0.655   0.289
  Start of MODEL    4
    1    H1   GLY   2           H        GLY   2  -4.443   9.179  -6.048
    2    HA2  GLY   2           2HA      GLY   2  -6.081   8.757  -8.148
    3    HA3  GLY   2           3HA      GLY   2  -6.837  10.136  -7.364
    4    H21  MYR   1           1H2      MYR   1  -4.790   8.895  -3.746
    5    H22  MYR   1           2H2      MYR   1  -5.246   7.232  -4.062
    6    H31  MYR   1           1H3      MYR   1  -7.646   8.672  -3.132
    7    H32  MYR   1           2H3      MYR   1  -6.315   9.081  -2.048
    8    H41  MYR   1           1H4      MYR   1  -6.353   6.162  -2.692
    9    H42  MYR   1           2H4      MYR   1  -7.886   6.693  -1.998
   10    H51  MYR   1           1H5      MYR   1  -6.755   7.617   0.005
   11    H52  MYR   1           2H5      MYR   1  -5.160   7.392  -0.718
   12    H61  MYR   1           1H6      MYR   1  -5.880   4.803  -0.867
   13    H62  MYR   1           2H6      MYR   1  -7.095   5.250   0.334
   14    H71  MYR   1           1H7      MYR   1  -5.511   5.053   1.973
   15    H72  MYR   1           2H7      MYR   1  -4.662   6.443   1.295
   16    H81  MYR   1           1H8      MYR   1  -3.526   4.777  -0.378
   17    H82  MYR   1           2H8      MYR   1  -4.213   3.469   0.588
   18    H91  MYR   1           1H9      MYR   1  -3.073   4.763   2.657
   19    H92  MYR   1           2H9      MYR   1  -2.096   5.537   1.410
   20   H101  MYR   1          1H10      MYR   1  -2.210   2.646   0.881
   21   H102  MYR   1          2H10      MYR   1  -1.752   2.879   2.560
   22   H111  MYR   1          1H11      MYR   1   0.331   2.830   1.364
   23   H112  MYR   1          2H11      MYR   1   0.063   4.529   1.715
   24   H121  MYR   1          1H12      MYR   1  -0.280   5.135  -0.514
   25   H122  MYR   1          2H12      MYR   1  -1.050   3.608  -0.945
   26   H131  MYR   1          1H13      MYR   1   1.982   3.962  -0.431
   27   H132  MYR   1          2H13      MYR   1   1.232   3.909  -2.027
   28   H141  MYR   1          3H14      MYR   1   0.342   1.539  -1.477
   29   H142  MYR   1          1H14      MYR   1   2.122   1.642  -1.493
   30   H143  MYR   1          2H14      MYR   1   1.244   1.611   0.054
  Start of MODEL    5
    1    H1   GLY   2           H        GLY   2  -7.118   9.028  -5.948
    2    HA2  GLY   2           2HA      GLY   2  -6.981  11.847  -5.112
    3    HA3  GLY   2           3HA      GLY   2  -5.495  10.960  -5.418
    4    H21  MYR   1           1H2      MYR   1  -9.138   8.041  -4.888
    5    H22  MYR   1           2H2      MYR   1  -9.466   8.528  -3.237
    6    H31  MYR   1           1H3      MYR   1  -6.645   7.641  -3.436
    7    H32  MYR   1           2H3      MYR   1  -7.677   6.426  -4.189
    8    H41  MYR   1           1H4      MYR   1  -8.888   5.983  -2.170
    9    H42  MYR   1           2H4      MYR   1  -8.514   7.558  -1.466
   10    H51  MYR   1           1H5      MYR   1  -6.438   6.869  -0.641
   11    H52  MYR   1           2H5      MYR   1  -6.087   5.856  -2.043
   12    H61  MYR   1           1H6      MYR   1  -8.288   4.518  -0.841
   13    H62  MYR   1           2H6      MYR   1  -7.394   5.125   0.554
   14    H71  MYR   1           1H7      MYR   1  -5.929   3.663  -1.728
   15    H72  MYR   1           2H7      MYR   1  -6.759   2.750  -0.466
   16    H81  MYR   1           1H8      MYR   1  -4.916   2.984   0.869
   17    H82  MYR   1           2H8      MYR   1  -5.241   4.716   0.971
   18    H91  MYR   1           1H9      MYR   1  -3.914   5.058  -1.197
   19    H92  MYR   1           2H9      MYR   1  -3.529   3.336  -1.208
   20   H101  MYR   1          1H10      MYR   1  -2.688   3.858   1.327
   21   H102  MYR   1          2H10      MYR   1  -2.543   5.502   0.726
   22   H111  MYR   1          1H11      MYR   1  -0.473   4.911  -0.076
   23   H112  MYR   1          2H11      MYR   1  -1.308   3.985  -1.312
   24   H121  MYR   1          1H12      MYR   1  -1.371   1.991   0.401
   25   H122  MYR   1          2H12      MYR   1  -0.218   2.915   1.362
   26   H131  MYR   1          1H13      MYR   1   1.543   2.598  -0.150
   27   H132  MYR   1          2H13      MYR   1   0.498   2.676  -1.570
   28   H141  MYR   1          3H14      MYR   1   1.454   0.275  -0.126
   29   H142  MYR   1          1H14      MYR   1  -0.328   0.270  -0.188
   30   H143  MYR   1          2H14      MYR   1   0.617   0.373  -1.692
  Start of MODEL    6
    1    H1   GLY   2           H        GLY   2 -11.136   7.726  -2.578
    2    HA2  GLY   2           2HA      GLY   2 -12.041   6.286  -4.942
    3    HA3  GLY   2           3HA      GLY   2 -12.449   7.939  -4.506
    4    H21  MYR   1           1H2      MYR   1 -10.301   4.638  -1.161
    5    H22  MYR   1           2H2      MYR   1 -10.553   6.334  -0.795
    6    H31  MYR   1           1H3      MYR   1  -8.168   5.627  -0.324
    7    H32  MYR   1           2H3      MYR   1  -8.225   6.898  -1.547
    8    H41  MYR   1           1H4      MYR   1  -7.252   5.550  -3.134
    9    H42  MYR   1           2H4      MYR   1  -8.421   4.255  -2.863
   10    H51  MYR   1           1H5      MYR   1  -6.512   3.125  -2.138
   11    H52  MYR   1           2H5      MYR   1  -6.963   3.860  -0.598
   12    H61  MYR   1           1H6      MYR   1  -5.370   5.824  -2.066
   13    H62  MYR   1           2H6      MYR   1  -4.530   4.275  -2.178
   14    H71  MYR   1           1H7      MYR   1  -5.152   4.192   0.500
   15    H72  MYR   1           2H7      MYR   1  -5.169   5.944   0.292
   16    H81  MYR   1           1H8      MYR   1  -2.874   6.063   0.143
   17    H82  MYR   1           2H8      MYR   1  -2.800   4.771  -1.059
   18    H91  MYR   1           1H9      MYR   1  -2.738   3.027   0.628
   19    H92  MYR   1           2H9      MYR   1  -3.317   4.101   1.901
   20   H101  MYR   1          1H10      MYR   1  -0.917   3.740   2.230
   21   H102  MYR   1          2H10      MYR   1  -1.153   5.426   1.796
   22   H111  MYR   1          1H11      MYR   1   0.285   5.190   0.019
   23   H112  MYR   1          2H11      MYR   1  -0.751   3.954  -0.675
   24   H121  MYR   1          1H12      MYR   1   0.489   2.408   1.250
   25   H122  MYR   1          2H12      MYR   1   1.762   3.599   0.984
   26   H131  MYR   1          1H13      MYR   1   2.310   2.727  -1.079
   27   H132  MYR   1          2H13      MYR   1   0.628   2.698  -1.613
   28   H141  MYR   1          3H14      MYR   1   2.133   0.519  -0.022
   29   H142  MYR   1          1H14      MYR   1   0.351   0.546  -0.076
   30   H143  MYR   1          2H14      MYR   1   1.286   0.367  -1.578
  Start of MODEL    7
    1    H1   GLY   2           H        GLY   2  -6.780   5.011  -8.269
    2    HA2  GLY   2           2HA      GLY   2  -9.139   5.975  -9.513
    3    HA3  GLY   2           3HA      GLY   2  -7.935   7.252  -9.441
    4    H21  MYR   1           1H2      MYR   1  -6.518   4.861  -6.080
    5    H22  MYR   1           2H2      MYR   1  -8.103   4.423  -5.476
    6    H31  MYR   1           1H3      MYR   1  -8.020   7.123  -4.719
    7    H32  MYR   1           2H3      MYR   1  -6.297   6.745  -4.694
    8    H41  MYR   1           1H4      MYR   1  -7.136   4.550  -3.316
    9    H42  MYR   1           2H4      MYR   1  -8.546   5.560  -2.986
   10    H51  MYR   1           1H5      MYR   1  -7.395   6.800  -1.432
   11    H52  MYR   1           2H5      MYR   1  -6.110   7.169  -2.585
   12    H61  MYR   1           1H6      MYR   1  -6.136   4.352  -1.419
   13    H62  MYR   1           2H6      MYR   1  -5.710   5.662  -0.315
   14    H71  MYR   1           1H7      MYR   1  -4.249   6.159  -2.780
   15    H72  MYR   1           2H7      MYR   1  -4.083   4.434  -2.442
   16    H81  MYR   1           1H8      MYR   1  -3.733   5.769   0.105
   17    H82  MYR   1           2H8      MYR   1  -2.829   6.732  -1.066
   18    H91  MYR   1           1H9      MYR   1  -2.017   4.222  -1.875
   19    H92  MYR   1           2H9      MYR   1  -2.380   3.850  -0.190
   20   H101  MYR   1          1H10      MYR   1  -0.586   5.050   0.622
   21   H102  MYR   1          2H10      MYR   1  -0.822   6.402  -0.473
   22   H111  MYR   1          1H11      MYR   1   1.374   5.258  -0.866
   23   H112  MYR   1          2H11      MYR   1   0.351   5.213  -2.293
   24   H121  MYR   1          1H12      MYR   1   1.161   2.999  -2.248
   25   H122  MYR   1          2H12      MYR   1  -0.415   2.814  -1.481
   26   H131  MYR   1          1H13      MYR   1   0.689   2.970   0.813
   27   H132  MYR   1          2H13      MYR   1   2.267   3.120   0.036
   28   H141  MYR   1          3H14      MYR   1   0.512   0.709  -0.718
   29   H142  MYR   1          1H14      MYR   1   2.291   0.833  -0.683
   30   H143  MYR   1          2H14      MYR   1   1.375   0.702   0.837
  Start of MODEL    8
    1    H1   GLY   2           H        GLY   2  -4.783   9.351  -5.480
    2    HA2  GLY   2           2HA      GLY   2  -3.123   8.332  -6.804
    3    HA3  GLY   2           3HA      GLY   2  -4.334   7.221  -7.428
    4    H21  MYR   1           1H2      MYR   1  -8.138   8.030  -5.015
    5    H22  MYR   1           2H2      MYR   1  -7.403   9.622  -5.001
    6    H31  MYR   1           1H3      MYR   1  -6.347   9.222  -2.959
    7    H32  MYR   1           2H3      MYR   1  -5.713   7.669  -3.505
    8    H41  MYR   1           1H4      MYR   1  -8.643   7.468  -3.122
    9    H42  MYR   1           2H4      MYR   1  -7.899   8.138  -1.667
   10    H51  MYR   1           1H5      MYR   1  -6.330   5.840  -2.775
   11    H52  MYR   1           2H5      MYR   1  -7.998   5.390  -2.408
   12    H61  MYR   1           1H6      MYR   1  -7.787   6.061  -0.066
   13    H62  MYR   1           2H6      MYR   1  -6.291   6.948  -0.367
   14    H71  MYR   1           1H7      MYR   1  -6.350   3.952  -1.001
   15    H72  MYR   1           2H7      MYR   1  -6.281   4.445   0.693
   16    H81  MYR   1           1H8      MYR   1  -4.230   5.898   0.139
   17    H82  MYR   1           2H8      MYR   1  -4.276   5.278  -1.514
   18    H91  MYR   1           1H9      MYR   1  -3.464   3.171  -0.915
   19    H92  MYR   1           2H9      MYR   1  -4.323   3.140   0.625
   20   H101  MYR   1          1H10      MYR   1  -2.645   4.371   1.771
   21   H102  MYR   1          2H10      MYR   1  -2.029   5.149   0.322
   22   H111  MYR   1          1H11      MYR   1  -1.740   2.105   0.629
   23   H112  MYR   1          2H11      MYR   1  -0.711   3.164   1.580
   24   H121  MYR   1          1H12      MYR   1  -0.172   4.364  -0.757
   25   H122  MYR   1          2H12      MYR   1  -0.782   2.870  -1.470
   26   H131  MYR   1          1H13      MYR   1   1.420   2.891   0.699
   27   H132  MYR   1          2H13      MYR   1   1.783   2.974  -1.026
   28   H141  MYR   1          3H14      MYR   1   0.022   0.758  -0.936
   29   H142  MYR   1          1H14      MYR   1   1.801   0.639  -0.919
   30   H143  MYR   1          2H14      MYR   1   0.890   0.615   0.609
  Start of MODEL    9
    1    H1   GLY   2           H        GLY   2  -9.069   8.252  -2.438
    2    HA2  GLY   2           2HA      GLY   2 -11.338   7.191  -3.556
    3    HA3  GLY   2           3HA      GLY   2 -11.240   8.816  -4.220
    4    H21  MYR   1           1H2      MYR   1 -10.565  10.416   0.037
    5    H22  MYR   1           2H2      MYR   1  -9.006  10.118  -0.706
    6    H31  MYR   1           1H3      MYR   1 -10.282   7.605   0.369
    7    H32  MYR   1           2H3      MYR   1 -10.058   8.835   1.614
    8    H41  MYR   1           1H4      MYR   1  -7.797   8.454   1.701
    9    H42  MYR   1           2H4      MYR   1  -7.620   8.713  -0.037
   10    H51  MYR   1           1H5      MYR   1  -8.749   6.208  -0.131
   11    H52  MYR   1           2H5      MYR   1  -8.050   6.107   1.487
   12    H61  MYR   1           1H6      MYR   1  -6.095   7.290  -0.409
   13    H62  MYR   1           2H6      MYR   1  -6.696   5.752  -1.032
   14    H71  MYR   1           1H7      MYR   1  -6.260   5.008   1.596
   15    H72  MYR   1           2H7      MYR   1  -5.076   6.312   1.482
   16    H81  MYR   1           1H8      MYR   1  -4.665   4.884  -0.940
   17    H82  MYR   1           2H8      MYR   1  -5.051   3.598   0.207
   18    H91  MYR   1           1H9      MYR   1  -3.237   4.304   1.737
   19    H92  MYR   1           2H9      MYR   1  -2.944   5.777   0.813
   20   H101  MYR   1          1H10      MYR   1  -2.324   4.328  -1.213
   21   H102  MYR   1          2H10      MYR   1  -2.481   2.890  -0.216
   22   H111  MYR   1          1H11      MYR   1  -0.703   4.863   1.110
   23   H112  MYR   1          2H11      MYR   1  -0.203   4.624  -0.556
   24   H121  MYR   1          1H12      MYR   1  -0.802   2.033   0.826
   25   H122  MYR   1          2H12      MYR   1   0.483   2.949   1.612
   26   H131  MYR   1          1H13      MYR   1   1.949   2.788  -0.229
   27   H132  MYR   1          2H13      MYR   1   0.646   2.776  -1.419
   28   H141  MYR   1          3H14      MYR   1   0.187   0.407  -1.083
   29   H142  MYR   1          1H14      MYR   1   1.966   0.506  -1.010
   30   H143  MYR   1          2H14      MYR   1   1.017   0.380   0.490
  Start of MODEL   10
    1    H1   GLY   2           H        GLY   2  -7.971  11.366  -2.156
    2    HA2  GLY   2           2HA      GLY   2  -9.507  11.833  -4.505
    3    HA3  GLY   2           3HA      GLY   2  -9.715  13.148  -3.358
    4    H21  MYR   1           1H2      MYR   1 -10.328   9.966  -0.189
    5    H22  MYR   1           2H2      MYR   1  -8.606   9.948  -0.521
    6    H31  MYR   1           1H3      MYR   1 -10.283   8.094  -2.264
    7    H32  MYR   1           2H3      MYR   1 -10.266   7.691  -0.546
    8    H41  MYR   1           1H4      MYR   1  -7.532   8.353  -1.573
    9    H42  MYR   1           2H4      MYR   1  -8.267   7.015  -2.459
   10    H51  MYR   1           1H5      MYR   1  -8.861   6.494   0.316
   11    H52  MYR   1           2H5      MYR   1  -7.192   7.067   0.304
   12    H61  MYR   1           1H6      MYR   1  -8.293   4.775  -1.462
   13    H62  MYR   1           2H6      MYR   1  -7.376   4.549   0.029
   14    H71  MYR   1           1H7      MYR   1  -6.156   6.269  -2.197
   15    H72  MYR   1           2H7      MYR   1  -6.162   4.515  -2.394
   16    H81  MYR   1           1H8      MYR   1  -5.224   4.710   0.227
   17    H82  MYR   1           2H8      MYR   1  -4.610   6.227  -0.433
   18    H91  MYR   1           1H9      MYR   1  -3.799   4.662  -2.486
   19    H92  MYR   1           2H9      MYR   1  -3.961   3.360  -1.308
   20   H101  MYR   1          1H10      MYR   1  -2.582   5.418   0.118
   21   H102  MYR   1          2H10      MYR   1  -1.869   5.489  -1.485
   22   H111  MYR   1          1H11      MYR   1  -2.173   2.697  -0.343
   23   H112  MYR   1          2H11      MYR   1  -1.127   3.765   0.579
   24   H121  MYR   1          1H12      MYR   1  -0.098   4.292  -1.916
   25   H122  MYR   1          2H12      MYR   1  -0.708   2.666  -2.221
   26   H131  MYR   1          1H13      MYR   1   0.883   3.076   0.349
   27   H132  MYR   1          2H13      MYR   1   1.783   3.137  -1.168
   28   H141  MYR   1          3H14      MYR   1   1.712   0.780  -0.220
   29   H142  MYR   1          1H14      MYR   1  -0.067   0.782  -0.337
   30   H143  MYR   1          2H14      MYR   1   0.924   0.852  -1.812
  Start of MODEL   11
    1    H1   GLY   2           H        GLY   2  -5.788   9.202  -7.385
    2    HA2  GLY   2           2HA      GLY   2  -8.564   8.899  -8.254
    3    HA3  GLY   2           3HA      GLY   2  -7.895  10.524  -8.258
    4    H21  MYR   1           1H2      MYR   1  -5.524   9.124  -4.925
    5    H22  MYR   1           2H2      MYR   1  -5.629   7.418  -5.318
    6    H31  MYR   1           1H3      MYR   1  -7.961   8.311  -3.650
    7    H32  MYR   1           2H3      MYR   1  -6.425   8.691  -2.867
    8    H41  MYR   1           1H4      MYR   1  -6.002   6.047  -3.822
    9    H42  MYR   1           2H4      MYR   1  -7.704   6.022  -3.353
   10    H51  MYR   1           1H5      MYR   1  -6.609   5.428  -1.325
   11    H52  MYR   1           2H5      MYR   1  -6.924   7.149  -1.092
   12    H61  MYR   1           1H6      MYR   1  -4.637   7.769  -1.440
   13    H62  MYR   1           2H6      MYR   1  -4.268   6.320  -2.377
   14    H71  MYR   1           1H7      MYR   1  -5.146   5.763   0.458
   15    H72  MYR   1           2H7      MYR   1  -3.652   6.695   0.338
   16    H81  MYR   1           1H8      MYR   1  -2.733   4.917  -1.284
   17    H82  MYR   1           2H8      MYR   1  -4.197   3.968  -1.020
   18    H91  MYR   1           1H9      MYR   1  -3.314   3.069   0.886
   19    H92  MYR   1           2H9      MYR   1  -3.179   4.669   1.615
   20   H101  MYR   1          1H10      MYR   1  -0.917   4.834   1.207
   21   H102  MYR   1          2H10      MYR   1  -1.026   4.171  -0.416
   22   H111  MYR   1          1H11      MYR   1  -1.310   1.817   0.727
   23   H112  MYR   1          2H11      MYR   1  -0.939   2.622   2.243
   24   H121  MYR   1          1H12      MYR   1   1.191   1.820   1.637
   25   H122  MYR   1          2H12      MYR   1   1.271   3.485   1.060
   26   H131  MYR   1          1H13      MYR   1   2.013   2.442  -0.890
   27   H132  MYR   1          2H13      MYR   1   0.283   2.383  -1.233
   28   H141  MYR   1          3H14      MYR   1   0.274   0.058  -1.164
   29   H142  MYR   1          1H14      MYR   1   2.053   0.129  -1.069
   30   H143  MYR   1          2H14      MYR   1   1.083   0.038   0.419
  Start of MODEL   12
    1    H1   GLY   2           H        GLY   2 -11.338  10.701  -0.691
    2    HA2  GLY   2           2HA      GLY   2 -11.073  12.423  -3.049
    3    HA3  GLY   2           3HA      GLY   2 -12.208  12.651  -1.726
    4    H21  MYR   1           1H2      MYR   1 -10.767   8.120  -2.265
    5    H22  MYR   1           2H2      MYR   1 -10.257   8.695  -0.690
    6    H31  MYR   1           1H3      MYR   1  -8.049   8.839  -2.736
    7    H32  MYR   1           2H3      MYR   1  -8.687   7.204  -2.555
    8    H41  MYR   1           1H4      MYR   1  -8.320   7.318  -0.054
    9    H42  MYR   1           2H4      MYR   1  -7.727   8.975  -0.200
   10    H51  MYR   1           1H5      MYR   1  -5.650   8.318  -1.036
   11    H52  MYR   1           2H5      MYR   1  -6.326   7.016  -2.016
   12    H61  MYR   1           1H6      MYR   1  -6.754   6.248   0.752
   13    H62  MYR   1           2H6      MYR   1  -5.105   6.872   0.664
   14    H71  MYR   1           1H7      MYR   1  -5.068   5.315  -1.610
   15    H72  MYR   1           2H7      MYR   1  -6.320   4.445  -0.719
   16    H81  MYR   1           1H8      MYR   1  -4.608   3.346   0.348
   17    H82  MYR   1           2H8      MYR   1  -4.379   4.825   1.285
   18    H91  MYR   1           1H9      MYR   1  -2.711   5.668  -0.412
   19    H92  MYR   1           2H9      MYR   1  -2.962   4.230  -1.402
   20   H101  MYR   1          1H10      MYR   1  -2.060   2.753   0.359
   21   H102  MYR   1          2H10      MYR   1  -1.996   4.057   1.535
   22   H111  MYR   1          1H11      MYR   1  -0.104   5.107   0.437
   23   H112  MYR   1          2H11      MYR   1  -0.435   4.299  -1.087
   24   H121  MYR   1          1H12      MYR   1   0.118   2.316   1.068
   25   H122  MYR   1          2H12      MYR   1   1.447   3.461   0.880
   26   H131  MYR   1          1H13      MYR   1   2.028   2.681  -1.240
   27   H132  MYR   1          2H13      MYR   1   0.352   2.437  -1.737
   28   H141  MYR   1          3H14      MYR   1   0.418   0.181  -1.158
   29   H142  MYR   1          1H14      MYR   1   2.180   0.380  -0.971
   30   H143  MYR   1          2H14      MYR   1   1.110   0.536   0.442
  Start of MODEL   13
    1    H1   GLY   2           H        GLY   2  -9.263  11.308  -2.911
    2    HA2  GLY   2           2HA      GLY   2  -7.804  12.502  -4.336
    3    HA3  GLY   2           3HA      GLY   2  -7.289  10.979  -5.046
    4    H21  MYR   1           1H2      MYR   1  -9.952   8.002  -2.744
    5    H22  MYR   1           2H2      MYR   1  -9.996   9.482  -1.806
    6    H31  MYR   1           1H3      MYR   1  -8.343   8.715  -0.350
    7    H32  MYR   1           2H3      MYR   1  -7.284   8.248  -1.681
    8    H41  MYR   1           1H4      MYR   1  -8.757   6.133  -2.001
    9    H42  MYR   1           2H4      MYR   1  -9.626   6.581  -0.532
   10    H51  MYR   1           1H5      MYR   1  -8.006   5.588   0.745
   11    H52  MYR   1           2H5      MYR   1  -6.808   6.730   0.136
   12    H61  MYR   1           1H6      MYR   1  -6.335   5.251  -1.838
   13    H62  MYR   1           2H6      MYR   1  -7.614   4.137  -1.348
   14    H71  MYR   1           1H7      MYR   1  -5.933   2.993  -0.257
   15    H72  MYR   1           2H7      MYR   1  -6.121   4.213   1.004
   16    H81  MYR   1           1H8      MYR   1  -4.352   5.650  -0.250
   17    H82  MYR   1           2H8      MYR   1  -4.083   4.272  -1.321
   18    H91  MYR   1           1H9      MYR   1  -3.263   2.868   0.498
   19    H92  MYR   1           2H9      MYR   1  -3.884   3.955   1.740
   20   H101  MYR   1          1H10      MYR   1  -1.670   4.643   1.790
   21   H102  MYR   1          2H10      MYR   1  -2.224   5.758   0.551
   22   H111  MYR   1          1H11      MYR   1  -0.350   4.915  -0.560
   23   H112  MYR   1          2H11      MYR   1  -1.527   3.731  -1.106
   24   H121  MYR   1          1H12      MYR   1  -0.842   2.163   0.785
   25   H122  MYR   1          2H12      MYR   1   0.390   3.322   1.282
   26   H131  MYR   1          1H13      MYR   1   1.849   2.644  -0.366
   27   H132  MYR   1          2H13      MYR   1   0.622   2.783  -1.626
   28   H141  MYR   1          3H14      MYR   1   1.546   0.332  -0.166
   29   H142  MYR   1          1H14      MYR   1  -0.232   0.459  -0.223
   30   H143  MYR   1          2H14      MYR   1   0.712   0.466  -1.731
  Start of MODEL   14
    1    H1   GLY   2           H        GLY   2 -10.354  10.439  -4.696
    2    HA2  GLY   2           2HA      GLY   2 -11.592  12.284  -3.287
    3    HA3  GLY   2           3HA      GLY   2 -10.034  12.316  -2.475
    4    H21  MYR   1           1H2      MYR   1  -9.999   8.311  -4.330
    5    H22  MYR   1           2H2      MYR   1 -10.672   7.719  -2.823
    6    H31  MYR   1           1H3      MYR   1  -8.280   7.946  -1.780
    7    H32  MYR   1           2H3      MYR   1  -7.687   8.358  -3.390
    8    H41  MYR   1           1H4      MYR   1  -7.601   6.149  -3.999
    9    H42  MYR   1           2H4      MYR   1  -9.309   5.920  -3.618
   10    H51  MYR   1           1H5      MYR   1  -8.007   4.370  -2.225
   11    H52  MYR   1           2H5      MYR   1  -8.715   5.591  -1.166
   12    H61  MYR   1           1H6      MYR   1  -6.649   6.544  -0.620
   13    H62  MYR   1           2H6      MYR   1  -5.977   6.302  -2.235
   14    H71  MYR   1           1H7      MYR   1  -6.068   3.681  -1.552
   15    H72  MYR   1           2H7      MYR   1  -6.127   4.314   0.095
   16    H81  MYR   1           1H8      MYR   1  -4.038   5.837  -0.798
   17    H82  MYR   1           2H8      MYR   1  -3.880   4.523  -1.966
   18    H91  MYR   1           1H9      MYR   1  -3.124   3.011  -0.379
   19    H92  MYR   1           2H9      MYR   1  -4.289   3.531   0.838
   20   H101  MYR   1          1H10      MYR   1  -2.259   4.220   1.814
   21   H102  MYR   1          2H10      MYR   1  -2.794   5.719   1.072
   22   H111  MYR   1          1H11      MYR   1  -0.734   5.810   0.055
   23   H112  MYR   1          2H11      MYR   1  -1.302   4.524  -0.998
   24   H121  MYR   1          1H12      MYR   1  -0.492   2.973   1.143
   25   H122  MYR   1          2H12      MYR   1   0.605   4.338   1.351
   26   H131  MYR   1          1H13      MYR   1   1.932   3.575  -0.353
   27   H132  MYR   1          2H13      MYR   1   0.593   3.716  -1.494
   28   H141  MYR   1          3H14      MYR   1  -0.094   1.405  -1.175
   29   H142  MYR   1          1H14      MYR   1   1.687   1.314  -1.139
   30   H143  MYR   1          2H14      MYR   1   0.760   1.272   0.379
  Start of MODEL   15
    1    H1   GLY   2           H        GLY   2  -7.727  11.007  -1.997
    2    HA2  GLY   2           2HA      GLY   2  -7.127  13.355  -0.657
    3    HA3  GLY   2           3HA      GLY   2  -5.581  12.667  -1.134
    4    H21  MYR   1           1H2      MYR   1  -8.693   9.355  -0.091
    5    H22  MYR   1           2H2      MYR   1  -7.343   8.763   0.856
    6    H31  MYR   1           1H3      MYR   1  -6.096   8.199  -1.324
    7    H32  MYR   1           2H3      MYR   1  -7.474   8.800  -2.247
    8    H41  MYR   1           1H4      MYR   1  -7.773   6.406  -2.165
    9    H42  MYR   1           2H4      MYR   1  -8.953   7.051  -1.020
   10    H51  MYR   1           1H5      MYR   1  -7.963   5.268   0.213
   11    H52  MYR   1           2H5      MYR   1  -7.106   6.680   0.835
   12    H61  MYR   1           1H6      MYR   1  -5.420   6.078  -1.259
   13    H62  MYR   1           2H6      MYR   1  -6.091   4.467  -0.997
   14    H71  MYR   1           1H7      MYR   1  -5.550   5.013   1.610
   15    H72  MYR   1           2H7      MYR   1  -4.427   6.184   0.916
   16    H81  MYR   1           1H8      MYR   1  -3.769   3.996  -0.639
   17    H82  MYR   1           2H8      MYR   1  -4.358   3.145   0.792
   18    H91  MYR   1           1H9      MYR   1  -2.788   4.761   2.180
   19    H92  MYR   1           2H9      MYR   1  -2.047   5.182   0.635
   20   H101  MYR   1          1H10      MYR   1  -2.041   2.404   0.445
   21   H102  MYR   1          2H10      MYR   1  -1.893   2.575   2.187
   22   H111  MYR   1          1H11      MYR   1   0.372   2.487   1.371
   23   H112  MYR   1          2H11      MYR   1   0.091   4.176   1.761
   24   H121  MYR   1          1H12      MYR   1   0.302   4.900  -0.422
   25   H122  MYR   1          2H12      MYR   1  -0.610   3.544  -1.085
   26   H131  MYR   1          1H13      MYR   1   2.332   3.402  -0.134
   27   H132  MYR   1          2H13      MYR   1   1.815   3.525  -1.817
   28   H141  MYR   1          3H14      MYR   1   2.230   1.095  -0.408
   29   H142  MYR   1          1H14      MYR   1   0.453   1.247  -0.410
   30   H143  MYR   1          2H14      MYR   1   1.351   1.252  -1.946
  Start of MODEL   16
    1    H1   GLY   2           H        GLY   2 -10.903   5.271  -7.076
    2    HA2  GLY   2           2HA      GLY   2 -11.698   2.453  -7.320
    3    HA3  GLY   2           3HA      GLY   2 -12.867   3.700  -7.726
    4    H21  MYR   1           1H2      MYR   1 -10.982   5.374  -3.879
    5    H22  MYR   1           2H2      MYR   1  -9.922   5.916  -5.165
    6    H31  MYR   1           1H3      MYR   1  -8.073   4.620  -4.378
    7    H32  MYR   1           2H3      MYR   1  -9.106   3.350  -3.720
    8    H41  MYR   1           1H4      MYR   1  -8.994   4.287  -1.635
    9    H42  MYR   1           2H4      MYR   1  -9.717   5.783  -2.233
   10    H51  MYR   1           1H5      MYR   1  -7.703   6.897  -2.197
   11    H52  MYR   1           2H5      MYR   1  -6.882   5.612  -3.084
   12    H61  MYR   1           1H6      MYR   1  -7.499   4.733  -0.312
   13    H62  MYR   1           2H6      MYR   1  -6.608   6.257  -0.293
   14    H71  MYR   1           1H7      MYR   1  -4.959   5.111  -2.021
   15    H72  MYR   1           2H7      MYR   1  -5.748   3.592  -1.586
   16    H81  MYR   1           1H8      MYR   1  -4.984   3.682   0.697
   17    H82  MYR   1           2H8      MYR   1  -4.704   5.424   0.646
   18    H91  MYR   1           1H9      MYR   1  -2.664   5.210  -0.600
   19    H92  MYR   1           2H9      MYR   1  -3.079   3.614  -1.223
   20   H101  MYR   1          1H10      MYR   1  -2.525   2.499   0.802
   21   H102  MYR   1          2H10      MYR   1  -2.770   3.916   1.811
   22   H111  MYR   1          1H11      MYR   1  -0.321   3.158   1.490
   23   H112  MYR   1          2H11      MYR   1  -0.645   4.861   1.213
   24   H121  MYR   1          1H12      MYR   1  -0.131   4.782  -1.045
   25   H122  MYR   1          2H12      MYR   1  -0.885   3.205  -1.288
   26   H131  MYR   1          1H13      MYR   1   1.724   3.388   0.324
   27   H132  MYR   1          2H13      MYR   1   1.787   3.467  -1.437
   28   H141  MYR   1          3H14      MYR   1   1.923   1.072  -0.163
   29   H142  MYR   1          1H14      MYR   1   0.144   1.194  -0.187
   30   H143  MYR   1          2H14      MYR   1   1.060   1.214  -1.712
  Start of MODEL   17
    1    H1   GLY   2           H        GLY   2  -9.571   8.884  -2.422
    2    HA2  GLY   2           2HA      GLY   2 -11.519   8.115  -4.333
    3    HA3  GLY   2           3HA      GLY   2 -10.774   9.701  -4.201
    4    H21  MYR   1           1H2      MYR   1  -9.537   5.714  -1.072
    5    H22  MYR   1           2H2      MYR   1  -9.002   7.361  -0.806
    6    H31  MYR   1           1H3      MYR   1  -6.981   6.726  -2.465
    7    H32  MYR   1           2H3      MYR   1  -7.481   5.056  -2.191
    8    H41  MYR   1           1H4      MYR   1  -7.094   6.829   0.268
    9    H42  MYR   1           2H4      MYR   1  -5.644   6.318  -0.601
   10    H51  MYR   1           1H5      MYR   1  -7.689   4.141  -0.027
   11    H52  MYR   1           2H5      MYR   1  -6.863   4.815   1.379
   12    H61  MYR   1           1H6      MYR   1  -5.230   3.948  -1.078
   13    H62  MYR   1           2H6      MYR   1  -5.801   2.733   0.067
   14    H71  MYR   1           1H7      MYR   1  -4.326   3.402   1.745
   15    H72  MYR   1           2H7      MYR   1  -4.502   5.119   1.376
   16    H81  MYR   1           1H8      MYR   1  -3.180   4.077  -0.931
   17    H82  MYR   1           2H8      MYR   1  -2.458   3.169   0.401
   18    H91  MYR   1           1H9      MYR   1  -2.680   5.998   1.190
   19    H92  MYR   1           2H9      MYR   1  -1.918   5.912  -0.398
   20   H101  MYR   1          1H10      MYR   1  -0.975   4.040   1.839
   21   H102  MYR   1          2H10      MYR   1  -0.428   5.708   1.846
   22   H111  MYR   1          1H11      MYR   1   1.093   5.312   0.146
   23   H112  MYR   1          2H11      MYR   1  -0.117   4.512  -0.844
   24   H121  MYR   1          1H12      MYR   1   0.317   2.550   1.113
   25   H122  MYR   1          2H12      MYR   1   1.918   3.282   1.002
   26   H131  MYR   1          1H13      MYR   1   2.166   2.739  -1.335
   27   H132  MYR   1          2H13      MYR   1   0.430   2.544  -1.582
   28   H141  MYR   1          3H14      MYR   1   0.594   0.277  -1.118
   29   H142  MYR   1          1H14      MYR   1   2.356   0.466  -0.922
   30   H143  MYR   1          2H14      MYR   1   1.280   0.625   0.485
  Start of MODEL   18
    1    H1   GLY   2           H        GLY   2 -13.549   7.463  -3.292
    2    HA2  GLY   2           2HA      GLY   2 -13.294   8.748  -5.776
    3    HA3  GLY   2           3HA      GLY   2 -14.361   9.255  -4.474
    4    H21  MYR   1           1H2      MYR   1 -11.506   5.214  -3.880
    5    H22  MYR   1           2H2      MYR   1 -12.053   5.999  -2.412
    6    H31  MYR   1           1H3      MYR   1  -9.543   7.155  -2.571
    7    H32  MYR   1           2H3      MYR   1  -9.211   5.702  -3.514
    8    H41  MYR   1           1H4      MYR   1 -10.520   4.533  -1.376
    9    H42  MYR   1           2H4      MYR   1  -9.890   5.965  -0.558
   10    H51  MYR   1           1H5      MYR   1  -8.139   4.052  -2.249
   11    H52  MYR   1           2H5      MYR   1  -8.349   3.896  -0.503
   12    H61  MYR   1           1H6      MYR   1  -7.631   6.575  -0.634
   13    H62  MYR   1           2H6      MYR   1  -6.803   5.983  -2.077
   14    H71  MYR   1           1H7      MYR   1  -6.450   4.205   0.331
   15    H72  MYR   1           2H7      MYR   1  -5.813   5.835   0.558
   16    H81  MYR   1           1H8      MYR   1  -4.702   5.449  -1.867
   17    H82  MYR   1           2H8      MYR   1  -4.992   3.740  -1.532
   18    H91  MYR   1           1H9      MYR   1  -3.731   4.009   0.692
   19    H92  MYR   1           2H9      MYR   1  -3.363   5.677   0.251
   20   H101  MYR   1          1H10      MYR   1  -2.095   4.949  -1.751
   21   H102  MYR   1          2H10      MYR   1  -2.577   3.273  -1.538
   22   H111  MYR   1          1H11      MYR   1  -1.322   3.344   0.764
   23   H112  MYR   1          2H11      MYR   1  -0.754   4.941   0.304
   24   H121  MYR   1          1H12      MYR   1   0.629   4.136  -1.474
   25   H122  MYR   1          2H12      MYR   1  -0.256   2.618  -1.630
   26   H131  MYR   1          1H13      MYR   1   0.946   2.978   1.099
   27   H132  MYR   1          2H13      MYR   1   2.154   2.988  -0.189
   28   H141  MYR   1          3H14      MYR   1   0.146   0.802  -0.611
   29   H142  MYR   1          1H14      MYR   1   1.925   0.696  -0.537
   30   H143  MYR   1          2H14      MYR   1   0.966   0.670   0.961
  Start of MODEL   19
    1    H1   GLY   2           H        GLY   2 -11.714   8.052  -5.066
    2    HA2  GLY   2           2HA      GLY   2 -13.780   6.076  -5.773
    3    HA3  GLY   2           3HA      GLY   2 -14.186   7.786  -5.718
    4    H21  MYR   1           1H2      MYR   1 -11.512   7.090  -1.966
    5    H22  MYR   1           2H2      MYR   1 -10.463   7.654  -3.252
    6    H31  MYR   1           1H3      MYR   1  -9.753   5.146  -3.611
    7    H32  MYR   1           2H3      MYR   1 -10.672   4.760  -2.154
    8    H41  MYR   1           1H4      MYR   1  -9.240   6.314  -0.791
    9    H42  MYR   1           2H4      MYR   1  -8.370   6.831  -2.235
   10    H51  MYR   1           1H5      MYR   1  -7.496   4.497  -2.589
   11    H52  MYR   1           2H5      MYR   1  -8.442   3.907  -1.220
   12    H61  MYR   1           1H6      MYR   1  -7.050   4.953   0.396
   13    H62  MYR   1           2H6      MYR   1  -6.545   6.242  -0.699
   14    H71  MYR   1           1H7      MYR   1  -5.397   4.196  -2.069
   15    H72  MYR   1           2H7      MYR   1  -5.508   3.365  -0.516
   16    H81  MYR   1           1H8      MYR   1  -4.474   6.085  -0.060
   17    H82  MYR   1           2H8      MYR   1  -3.545   5.339  -1.361
   18    H91  MYR   1           1H9      MYR   1  -4.091   3.592   1.067
   19    H92  MYR   1           2H9      MYR   1  -2.999   4.953   1.323
   20   H101  MYR   1          1H10      MYR   1  -2.388   3.487  -1.205
   21   H102  MYR   1          2H10      MYR   1  -2.316   2.416   0.185
   22   H111  MYR   1          1H11      MYR   1  -0.903   4.753   1.049
   23   H112  MYR   1          2H11      MYR   1  -0.499   4.625  -0.655
   24   H121  MYR   1          1H12      MYR   1  -0.269   2.117   1.090
   25   H122  MYR   1          2H12      MYR   1   0.988   3.351   1.186
   26   H131  MYR   1          1H13      MYR   1   1.914   2.705  -0.817
   27   H132  MYR   1          2H13      MYR   1   0.363   2.810  -1.654
   28   H141  MYR   1          3H14      MYR   1   1.645   0.377  -0.310
   29   H142  MYR   1          1H14      MYR   1  -0.136   0.465  -0.330
   30   H143  MYR   1          2H14      MYR   1   0.776   0.486  -1.857
  Start of MODEL   20
    1    H1   GLY   2           H        GLY   2  -7.382   7.500  -6.822
    2    HA2  GLY   2           2HA      GLY   2 -10.171   8.129  -6.192
    3    HA3  GLY   2           3HA      GLY   2  -9.026   9.462  -6.221
    4    H21  MYR   1           1H2      MYR   1  -6.444   6.451  -4.105
    5    H22  MYR   1           2H2      MYR   1  -6.484   5.725  -5.699
    6    H31  MYR   1           1H3      MYR   1  -6.749   3.795  -4.326
    7    H32  MYR   1           2H3      MYR   1  -8.437   4.176  -4.672
    8    H41  MYR   1           1H4      MYR   1  -8.716   4.128  -2.383
    9    H42  MYR   1           2H4      MYR   1  -8.042   5.760  -2.409
   10    H51  MYR   1           1H5      MYR   1  -5.866   3.735  -2.441
   11    H52  MYR   1           2H5      MYR   1  -6.960   3.444  -1.087
   12    H61  MYR   1           1H6      MYR   1  -6.740   5.953  -0.471
   13    H62  MYR   1           2H6      MYR   1  -5.505   6.098  -1.725
   14    H71  MYR   1           1H7      MYR   1  -5.288   4.006   0.535
   15    H72  MYR   1           2H7      MYR   1  -4.704   5.658   0.743
   16    H81  MYR   1           1H8      MYR   1  -3.705   4.579  -1.822
   17    H82  MYR   1           2H8      MYR   1  -3.340   3.439  -0.524
   18    H91  MYR   1           1H9      MYR   1  -2.742   6.443  -0.201
   19    H92  MYR   1           2H9      MYR   1  -1.611   5.385  -1.046
   20   H101  MYR   1          1H10      MYR   1  -2.511   4.218   1.549
   21   H102  MYR   1          2H10      MYR   1  -1.768   5.791   1.784
   22   H111  MYR   1          1H11      MYR   1   0.028   4.189   1.980
   23   H112  MYR   1          2H11      MYR   1   0.245   4.950   0.413
   24   H121  MYR   1          1H12      MYR   1  -0.993   2.962  -0.676
   25   H122  MYR   1          2H12      MYR   1  -0.989   2.163   0.895
   26   H131  MYR   1          1H13      MYR   1   1.674   2.706   0.813
   27   H132  MYR   1          2H13      MYR   1   1.386   2.803  -0.927
   28   H141  MYR   1          3H14      MYR   1   0.167   0.438  -0.659
   29   H142  MYR   1          1H14      MYR   1   1.947   0.472  -0.562
   30   H143  MYR   1          2H14      MYR   1   0.975   0.373   0.924