NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
16087 |
1zfd   |
cing | 1-original | 1 | MR format | nomenclature mapping |
H atom name in entry Constraint H atom name
1H ASP 39 HT1 ASP 1
2H ASP 39 HT3 ASP 1
3H ASP 39 HT2 ASP 1
H ASP 39 HN ASP 1
HA ASP 39 HA ASP 1
1HB ASP 39 HB2 ASP 1
2HB ASP 39 HB1 ASP 1
H ARG 40 HN ARG 2
NH1 ARG 40 NH1 ARG 2
NH2 ARG 40 NH2 ARG 2
HA ARG 40 HA ARG 2
1HB ARG 40 HB2 ARG 2
2HB ARG 40 HB1 ARG 2
1HG ARG 40 HG2 ARG 2
2HG ARG 40 HG1 ARG 2
1HD ARG 40 HD2 ARG 2
2HD ARG 40 HD1 ARG 2
HE ARG 40 HE ARG 2
1HH1 ARG 40 HH11 ARG 2
2HH1 ARG 40 HH12 ARG 2
1HH2 ARG 40 HH21 ARG 2
2HH2 ARG 40 HH22 ARG 2
HA PRO 41 HA PRO 3
1HB PRO 41 HB2 PRO 3
2HB PRO 41 HB1 PRO 3
1HG PRO 41 HG2 PRO 3
2HG PRO 41 HG1 PRO 3
1HD PRO 41 HD1 PRO 3
2HD PRO 41 HD2 PRO 3
OH TYR 42 OH TYR 4
H TYR 42 HN TYR 4
HA TYR 42 HA TYR 4
1HB TYR 42 HB2 TYR 4
2HB TYR 42 HB1 TYR 4
HD1 TYR 42 HD1 TYR 4
HD2 TYR 42 HD2 TYR 4
HE1 TYR 42 HE1 TYR 4
HE2 TYR 42 HE2 TYR 4
HH TYR 42 HH TYR 4
H SER 43 HN SER 5
HA SER 43 HA SER 5
1HB SER 43 HB2 SER 5
2HB SER 43 HB1 SER 5
HG SER 43 HG1 SER 5
H CYS 44 HN CYS 6
HA CYS 44 HA CYS 6
1HB CYS 44 HB2 CYS 6
2HB CYS 44 HB1 CYS 6
H ASP 45 HN ASP 7
HA ASP 45 HA ASP 7
1HB ASP 45 HB2 ASP 7
2HB ASP 45 HB1 ASP 7
H HIS 46 HN HIS 8
HA HIS 46 HA HIS 8
1HB HIS 46 HB2 HIS 8
2HB HIS 46 HB1 HIS 8
HD1 HIS 46 HD1 HIS 8
HD2 HIS 46 HD2 HIS 8
HE1 HIS 46 HE1 HIS 8
HA PRO 47 HA PRO 9
1HB PRO 47 HB2 PRO 9
2HB PRO 47 HB1 PRO 9
1HG PRO 47 HG2 PRO 9
2HG PRO 47 HG1 PRO 9
1HD PRO 47 HD1 PRO 9
2HD PRO 47 HD2 PRO 9
H GLY 48 HN GLY 10
1HA GLY 48 HA2 GLY 10
2HA GLY 48 HA1 GLY 10
H CYS 49 HN CYS 11
HA CYS 49 HA CYS 11
1HB CYS 49 HB2 CYS 11
2HB CYS 49 HB1 CYS 11
H ASP 50 HN ASP 12
HA ASP 50 HA ASP 12
1HB ASP 50 HB2 ASP 12
2HB ASP 50 HB1 ASP 12
H LYS 51 HN LYS 13
HA LYS 51 HA LYS 13
1HB LYS 51 HB2 LYS 13
2HB LYS 51 HB1 LYS 13
1HG LYS 51 HG2 LYS 13
2HG LYS 51 HG1 LYS 13
1HD LYS 51 HD2 LYS 13
2HD LYS 51 HD1 LYS 13
1HE LYS 51 HE2 LYS 13
2HE LYS 51 HE1 LYS 13
1HZ LYS 51 HZ3 LYS 13
2HZ LYS 51 HZ1 LYS 13
3HZ LYS 51 HZ2 LYS 13
H ALA 52 HN ALA 14
HA ALA 52 HA ALA 14
1HB ALA 52 HB2 ALA 14
2HB ALA 52 HB1 ALA 14
3HB ALA 52 HB3 ALA 14
H PHE 53 HN PHE 15
HA PHE 53 HA PHE 15
1HB PHE 53 HB2 PHE 15
2HB PHE 53 HB1 PHE 15
HD1 PHE 53 HD1 PHE 15
HD2 PHE 53 HD2 PHE 15
HE1 PHE 53 HE1 PHE 15
HE2 PHE 53 HE2 PHE 15
HZ PHE 53 HZ PHE 15
H VAL 54 HN VAL 16
HA VAL 54 HA VAL 16
HB VAL 54 HB VAL 16
1HG1 VAL 54 HG12 VAL 16
2HG1 VAL 54 HG11 VAL 16
3HG1 VAL 54 HG13 VAL 16
1HG2 VAL 54 HG22 VAL 16
2HG2 VAL 54 HG21 VAL 16
3HG2 VAL 54 HG23 VAL 16
H ARG 55 HN ARG 17
NH1 ARG 55 NH1 ARG 17
NH2 ARG 55 NH2 ARG 17
HA ARG 55 HA ARG 17
1HB ARG 55 HB2 ARG 17
2HB ARG 55 HB1 ARG 17
1HG ARG 55 HG2 ARG 17
2HG ARG 55 HG1 ARG 17
1HD ARG 55 HD2 ARG 17
2HD ARG 55 HD1 ARG 17
HE ARG 55 HE ARG 17
1HH1 ARG 55 HH11 ARG 17
2HH1 ARG 55 HH12 ARG 17
1HH2 ARG 55 HH21 ARG 17
2HH2 ARG 55 HH22 ARG 17
H ASN 56 HN ASN 18
HA ASN 56 HA ASN 18
1HB ASN 56 HB2 ASN 18
2HB ASN 56 HB1 ASN 18
1HD2 ASN 56 HD22 ASN 18
2HD2 ASN 56 HD21 ASN 18
H HIS 57 HN HIS 19
HA HIS 57 HA HIS 19
1HB HIS 57 HB2 HIS 19
2HB HIS 57 HB1 HIS 19
HD1 HIS 57 HD1 HIS 19
HD2 HIS 57 HD2 HIS 19
HE1 HIS 57 HE1 HIS 19
H ASP 58 HN ASP 20
HA ASP 58 HA ASP 20
1HB ASP 58 HB2 ASP 20
2HB ASP 58 HB1 ASP 20
H LEU 59 HN LEU 21
HA LEU 59 HA LEU 21
1HB LEU 59 HB2 LEU 21
2HB LEU 59 HB1 LEU 21
HG LEU 59 HG LEU 21
1HD1 LEU 59 HD13 LEU 21
2HD1 LEU 59 HD12 LEU 21
3HD1 LEU 59 HD11 LEU 21
1HD2 LEU 59 HD23 LEU 21
2HD2 LEU 59 HD22 LEU 21
3HD2 LEU 59 HD21 LEU 21
H ILE 60 HN ILE 22
HA ILE 60 HA ILE 22
HB ILE 60 HB ILE 22
1HG1 ILE 60 HG11 ILE 22
2HG1 ILE 60 HG12 ILE 22
1HG2 ILE 60 HG21 ILE 22
2HG2 ILE 60 HG22 ILE 22
3HG2 ILE 60 HG23 ILE 22
1HD1 ILE 60 HD11 ILE 22
2HD1 ILE 60 HD12 ILE 22
3HD1 ILE 60 HD13 ILE 22
H ARG 61 HN ARG 23
NH1 ARG 61 NH1 ARG 23
NH2 ARG 61 NH2 ARG 23
HA ARG 61 HA ARG 23
1HB ARG 61 HB2 ARG 23
2HB ARG 61 HB1 ARG 23
1HG ARG 61 HG2 ARG 23
2HG ARG 61 HG1 ARG 23
1HD ARG 61 HD2 ARG 23
2HD ARG 61 HD1 ARG 23
HE ARG 61 HE ARG 23
1HH1 ARG 61 HH11 ARG 23
2HH1 ARG 61 HH12 ARG 23
1HH2 ARG 61 HH21 ARG 23
2HH2 ARG 61 HH22 ARG 23
H HIS 62 HN HIS 24
HA HIS 62 HA HIS 24
1HB HIS 62 HB2 HIS 24
2HB HIS 62 HB1 HIS 24
HD1 HIS 62 HD1 HIS 24
HD2 HIS 62 HD2 HIS 24
HE1 HIS 62 HE1 HIS 24
H LYS 63 HN LYS 25
HA LYS 63 HA LYS 25
1HB LYS 63 HB2 LYS 25
2HB LYS 63 HB1 LYS 25
1HG LYS 63 HG2 LYS 25
2HG LYS 63 HG1 LYS 25
1HD LYS 63 HD2 LYS 25
2HD LYS 63 HD1 LYS 25
1HE LYS 63 HE2 LYS 25
2HE LYS 63 HE1 LYS 25
1HZ LYS 63 HZ3 LYS 25
2HZ LYS 63 HZ1 LYS 25
3HZ LYS 63 HZ2 LYS 25
H LYS 64 HN LYS 26
HA LYS 64 HA LYS 26
1HB LYS 64 HB2 LYS 26
2HB LYS 64 HB1 LYS 26
1HG LYS 64 HG2 LYS 26
2HG LYS 64 HG1 LYS 26
1HD LYS 64 HD2 LYS 26
2HD LYS 64 HD1 LYS 26
1HE LYS 64 HE2 LYS 26
2HE LYS 64 HE1 LYS 26
1HZ LYS 64 HZ3 LYS 26
2HZ LYS 64 HZ1 LYS 26
3HZ LYS 64 HZ2 LYS 26
H SER 65 HN SER 27
HA SER 65 HA SER 27
1HB SER 65 HB2 SER 27
2HB SER 65 HB1 SER 27
HG SER 65 HG1 SER 27
H HIS 66 HN HIS 28
HA HIS 66 HA HIS 28
1HB HIS 66 HB2 HIS 28
2HB HIS 66 HB1 HIS 28
HD1 HIS 66 HD1 HIS 28
HD2 HIS 66 HD2 HIS 28
HE1 HIS 66 HE1 HIS 28
H GLN 67 HN GLN 29
HA GLN 67 HA GLN 29
1HB GLN 67 HB2 GLN 29
2HB GLN 67 HB1 GLN 29
1HG GLN 67 HG2 GLN 29
2HG GLN 67 HG1 GLN 29
1HE2 GLN 67 HE21 GLN 29
2HE2 GLN 67 HE22 GLN 29
H GLU 68 HN GLU 30
HA GLU 68 HA GLU 30
1HB GLU 68 HB2 GLU 30
2HB GLU 68 HB1 GLU 30
1HG GLU 68 HG2 GLU 30
2HG GLU 68 HG1 GLU 30
H LYS 69 HN LYS 31
HA LYS 69 HA LYS 31
1HB LYS 69 HB2 LYS 31
2HB LYS 69 HB1 LYS 31
1HG LYS 69 HG2 LYS 31
2HG LYS 69 HG1 LYS 31
1HD LYS 69 HD2 LYS 31
2HD LYS 69 HD1 LYS 31
1HE LYS 69 HE2 LYS 31
2HE LYS 69 HE1 LYS 31
1HZ LYS 69 HZ3 LYS 31
2HZ LYS 69 HZ1 LYS 31
3HZ LYS 69 HZ2 LYS 31
H ALA 70 HN ALA 32
HA ALA 70 HA ALA 32
1HB ALA 70 HB2 ALA 32
2HB ALA 70 HB1 ALA 32
3HB ALA 70 HB3 ALA 32
REMARK Experimental Constraints for NMR Structure of the second
REMARK Zinc Finger from Saccharomyces Cerevisiae transcription factor
REMARK SWI5
REMARK
REMARK Authors: D.Neuhaus, Y.Nakaseko, J.W.R.Schwabe, D.Rhodes, A.Klug
REMARK Structural Studies Division
REMARK Medical Research Council Laboratory of Molecular Biology
REMARK Hills Road, Cambridge, CB2 2QH, United Kingdom
REMARK
REMARK References:
REMARK
REMARK D.Neuhaus, Y.Nakaseko, J.W.R.Schwabe and A.Klug (1992)
REMARK Solution structures of two zinc-finger domains from SWI5
REMARK obtained using two-dimensional 1H nuclear magnetic resonance
REMARK spectroscopy. J.Mol.Biol vol 228, p637-651
REMARK
REMARK Y.Nakaseko, D.Neuhaus, A.Klug and D.Rhodes (1992)
REMARK Adjacent zinc-finger motifs in multiple zinc-finger peptides
REMARK from SWI5 form structurally independent, flexibly linked
REMARK domains. J.Mol.Biol vol 228, p619-636
REMARK
REMARK
REMARK The 3D structure of the zinc finger in solution by NMR is based on
REMARK 197 approximate interproton distance constraints
REMARK and 6 torsion angle constraints derived from NOE and coupling
REMARK constant estimates. A complete list of experimental
REMARK constraints follows:
REMARK
REMARK
REMARK A. NOE Interproton distance constraints
REMARK
REMARK i,j,k are the distance, the -ve error and the positive error,
REMARK respectively as follows:
REMARK
REMARK strong = 0.0 - 2.3 A (2.2 2.2 0.1)
REMARK medium = 0.0 - 2.9 A (2.6 2.6 0.3)
REMARK weak = 0.0 - 3.5 A (3.0 3.0 0.5)
REMARK v weak = 0.0 - 5.0 A (4.0 4.0 1.0)
REMARK
REMARK 0.5 A added to upper limits of distances involving methyl groups.
REAMRK
REMARK Pseudoatom corrections added according to K. Wuthrich (1986) NMR
REMARK of proteins and nucleic acids. John Wiley, New York.
assign (resid 1 and name HA )(resid 2 and name HN ) 2.6 0.8 0.3
assign (resid 1 and name HB* )(resid 2 and name HN ) 3.0 1.2 1.5
assign (resid 2 and name HA )(resid 3 and name HA ) 4.0 2.2 1.0
assign (resid 2 and name HA )(resid 3 and name HD* ) 2.6 0.8 1.3
assign (resid 2 and name HG* )(resid 16 and name HA ) 3.0 1.2 1.5
assign (resid 2 and name HA )(resid 16 and name HA ) 2.6 0.8 0.3
assign (resid 3 and name HA )(resid 4 and name HN ) 3.0 1.2 0.5
assign (resid 3 and name HB2 )(resid 4 and name HN ) 3.0 1.2 0.5
assign (resid 3 and name HD* )(resid 4 and name HN ) 3.0 1.2 1.5
assign (resid 3 and name HG* )(resid 4 and name HD* ) 3.0 1.2 3.5
assign (resid 3 and name HG* )(resid 4 and name HE* ) 3.0 1.2 3.5
assign (resid 3 and name HD* )(resid 4 and name HD* ) 4.0 2.2 4.0
assign (resid 3 and name HD* )(resid 4 and name HE* ) 4.0 2.2 4.0
assign (resid 3 and name HD* )(resid 16 and name HA ) 2.6 0.8 1.3
assign (resid 4 and name HN )(resid 4 and name HD* ) 2.6 0.8 2.3
assign (resid 4 and name HA )(resid 4 and name HD* ) 2.6 0.8 2.3
assign (resid 4 and name HA )(resid 5 and name HN ) 2.2 0.4 0.1
assign (resid 4 and name HD* )(resid 5 and name HN ) 3.0 1.2 2.5
assign (resid 4 and name HN )(resid 5 and name HN ) 3.0 1.2 0.5
assign (resid 4 and name HB* )(resid 5 and name HN ) 4.0 2.2 2.0
assign (resid 4 and name HN )(resid 15 and name HN ) 4.0 2.2 1.0
assign (resid 4 and name HB2 )(resid 15 and name HB1 ) 2.6 0.8 0.3
assign (resid 4 and name HB* )(resid 15 and name HN ) 4.0 2.2 2.0
assign (resid 4 and name HE* )(resid 18 and name HN ) 4.0 2.2 3.0
assign (resid 4 and name HE* )(resid 18 and name HB* ) 4.0 2.2 4.0
assign (resid 4 and name HE* )(resid 18 and name HA ) 4.0 2.2 3.0
assign (resid 4 and name HD* )(resid 18 and name HA ) 4.0 2.2 3.0
assign (resid 4 and name HD* )(resid 21 and name HB* ) 3.0 1.2 3.5
assign (resid 4 and name HE* )(resid 21 and name HB* ) 3.0 1.2 3.5
assign (resid 4 and name HD* )(resid 21 and name HG ) 3.0 1.2 2.5
assign (resid 4 and name HE* )(resid 21 and name HG ) 3.0 1.2 2.5
assign (resid 4 and name HB* )(resid 21 and name HB* ) 3.0 1.2 2.5
assign (resid 4 and name HB* )(resid 21 and name HD* ) 2.6 0.8 4.2
assign (resid 5 and name HA )(resid 6 and name HN ) 3.0 1.2 0.5
assign (resid 5 and name HB* )(resid 6 and name HN ) 3.0 1.2 1.5
assign (resid 5 and name HB* )(resid 14 and name HB* ) 3.0 1.2 3.0
assign (resid 5 and name HB* )(resid 21 and name HD* ) 3.0 1.2 4.4
assign (resid 5 and name HN )(resid 21 and name HD* ) 3.0 1.2 3.4
assign (resid 6 and name HA )(resid 7 and name HN ) 2.2 0.4 0.1
assign (resid 6 and name HB* )(resid 7 and name HN ) 4.0 2.2 2.0
assign (resid 6 and name HA )(resid 8 and name HN ) 4.0 2.2 1.0
assign (resid 6 and name HB* )(resid 8 and name HN ) 4.0 2.2 2.0
assign (resid 6 and name HB* )(resid 13 and name HN ) 4.0 2.2 2.0
assign (resid 6 and name HN )(resid 14 and name HB* ) 4.0 2.2 2.5
assign (resid 6 and name HN )(resid 21 and name HD* ) 3.0 1.2 3.4
assign (resid 6 and name HB* )(resid 21 and name HD* ) 2.2 0.4 4.0
assign (resid 6 and name HB2 )(resid 24 and name HD2 ) 2.6 0.8 0.3
assign (resid 6 and name HN )(resid 24 and name HD2 ) 4.0 2.2 1.0
assign (resid 7 and name HA )(resid 8 and name HN ) 4.0 2.2 1.0
assign (resid 7 and name HN )(resid 8 and name HN ) 3.0 1.2 0.5
assign (resid 7 and name HN )(resid 21 and name HD* ) 4.0 2.2 3.9
assign (resid 8 and name HA )(resid 9 and name HA ) 4.0 2.2 1.0
assign (resid 8 and name HA )(resid 9 and name HD* ) 2.6 0.8 1.3
assign (resid 8 and name HA )(resid 9 and name HG2 ) 4.0 2.2 1.0
assign (resid 8 and name HD2 )(resid 9 and name HG* ) 4.0 2.2 2.0
assign (resid 8 and name HE1 )(resid 9 and name HG* ) 4.0 2.2 2.0
assign (resid 8 and name HD2 )(resid 10 and name HA* ) 4.0 2.2 2.0
assign (resid 8 and name HN )(resid 11 and name HB* ) 4.0 2.2 2.0
assign (resid 8 and name HD2 )(resid 11 and name HA ) 4.0 2.2 1.0
assign (resid 8 and name HD2 )(resid 11 and name HB2 ) 2.6 0.8 0.3
assign (resid 8 and name HB* )(resid 11 and name HB* ) 3.0 1.2 2.5
assign (resid 8 and name HN )(resid 11 and name HN ) 4.0 2.2 1.0
assign (resid 8 and name HB* )(resid 11 and name HN ) 4.0 2.2 2.0
assign (resid 8 and name HD2 )(resid 11 and name HN ) 4.0 2.2 1.0
assign (resid 8 and name HN )(resid 28 and name HD2 ) 4.0 2.2 1.0
assign (resid 8 and name HD2 )(resid 28 and name HD2 ) 4.0 2.2 1.0
assign (resid 8 and name HD2 )(resid 28 and name HE1 ) 3.0 1.2 0.5
assign (resid 8 and name HB* )(resid 28 and name HE1 ) 4.0 2.2 2.0
assign (resid 8 and name HE1 )(resid 28 and name HA ) 4.0 2.2 1.0
assign (resid 8 and name HE1 )(resid 28 and name HB* ) 3.0 1.2 1.5
assign (resid 8 and name HN )(resid 28 and name HE1 ) 4.0 2.2 1.0
assign (resid 9 and name HA )(resid 9 and name HB* ) 2.2 0.4 1.1
assign (resid 9 and name HB* )(resid 10 and name HN ) 3.0 1.2 1.5
assign (resid 9 and name HG* )(resid 10 and name HN ) 4.0 2.2 2.0
assign (resid 9 and name HA )(resid 11 and name HN ) 4.0 2.2 1.0
assign (resid 10 and name HN )(resid 11 and name HN ) 3.0 1.2 0.5
assign (resid 10 and name HA* )(resid 11 and name HN ) 3.0 1.2 1.5
assign (resid 11 and name HA )(resid 12 and name HN ) 2.2 0.4 0.1
assign (resid 11 and name HB* )(resid 12 and name HN ) 4.0 2.2 2.0
assign (resid 11 and name HN )(resid 12 and name HN ) 4.0 2.2 1.0
assign (resid 11 and name HA )(resid 13 and name HN ) 4.0 2.2 1.0
assign (resid 11 and name HB2 )(resid 28 and name HE1 ) 2.6 0.8 0.3
assign (resid 12 and name HN )(resid 13 and name HN ) 2.6 0.8 0.3
assign (resid 12 and name HA )(resid 13 and name HA ) 4.0 2.2 1.0
assign (resid 13 and name HA )(resid 14 and name HN ) 2.2 0.4 0.1
assign (resid 13 and name HN )(resid 14 and name HN ) 4.0 2.2 1.0
assign (resid 13 and name HA )(resid 15 and name HE* ) 4.0 2.2 3.0
assign (resid 13 and name HD* )(resid 15 and name HE* ) 3.0 1.2 3.5
assign (resid 13 and name HD* )(resid 15 and name HZ ) 4.0 2.2 2.0
assign (resid 13 and name HN )(resid 24 and name HE1 ) 4.0 2.2 1.0
assign (resid 13 and name HA )(resid 24 and name HE1 ) 4.0 2.2 1.0
assign (resid 13 and name HB* )(resid 24 and name HE1 ) 4.0 2.2 2.0
assign (resid 13 and name HG* )(resid 24 and name HE1 ) 3.0 1.2 1.5
assign (resid 13 and name HD* )(resid 24 and name HE1 ) 3.0 1.2 1.5
assign (resid 13 and name HE* )(resid 24 and name HE1 ) 4.0 2.2 2.0
assign (resid 14 and name HA )(resid 15 and name HD* ) 4.0 2.2 3.0
assign (resid 14 and name HB* )(resid 15 and name HD* ) 4.0 2.2 3.5
assign (resid 14 and name HB* )(resid 15 and name HE* ) 4.0 2.2 3.5
assign (resid 14 and name HA )(resid 15 and name HN ) 2.2 0.4 0.1
assign (resid 14 and name HB* )(resid 15 and name HN ) 4.0 2.2 2.5
assign (resid 15 and name HN )(resid 15 and name HD* ) 2.6 0.8 2.3
assign (resid 15 and name HA )(resid 15 and name HD* ) 2.6 0.8 2.3
assign (resid 15 and name HA )(resid 16 and name HN ) 2.6 0.8 0.3
assign (resid 15 and name HA )(resid 16 and name HA ) 4.0 2.2 1.0
assign (resid 15 and name HB1 )(resid 16 and name HN ) 2.6 0.8 0.3
assign (resid 15 and name HD* )(resid 16 and name HN ) 4.0 2.2 3.0
assign (resid 15 and name HB1 )(resid 17 and name HN ) 3.0 1.2 0.5
assign (resid 15 and name HD* )(resid 21 and name HB2 ) 3.0 1.2 2.5
assign (resid 15 and name HD* )(resid 21 and name HG ) 4.0 2.2 3.0
assign (resid 15 and name HE* )(resid 21 and name HA ) 3.0 1.2 2.5
assign (resid 15 and name HZ )(resid 24 and name HA ) 4.0 2.2 1.0
assign (resid 15 and name HZ )(resid 24 and name HB2 ) 3.0 1.2 0.5
assign (resid 15 and name HE* )(resid 24 and name HD2 ) 4.0 2.2 3.0
assign (resid 15 and name HZ )(resid 24 and name HD2 ) 4.0 2.2 1.0
assign (resid 15 and name HE* )(resid 24 and name HE1 ) 4.0 2.2 3.0
assign (resid 15 and name HZ )(resid 24 and name HE1 ) 4.0 2.2 1.0
assign (resid 16 and name HN )(resid 17 and name HN ) 2.6 0.8 0.3
assign (resid 16 and name HB )(resid 17 and name HN ) 3.0 1.2 0.5
assign (resid 16 and name HG* )(resid 17 and name HN ) 3.0 1.2 3.4
assign (resid 17 and name HA )(resid 18 and name HN ) 2.6 0.8 0.3
assign (resid 17 and name HB* )(resid 19 and name HE1 ) 4.0 2.2 2.0
assign (resid 17 and name HN )(resid 20 and name HB* ) 4.0 2.2 2.0
assign (resid 17 and name HB* )(resid 20 and name HN ) 2.6 0.8 1.3
assign (resid 18 and name HA )(resid 21 and name HB* ) 2.6 0.8 1.3
assign (resid 18 and name HA )(resid 21 and name HD* ) 3.0 1.2 3.4
assign (resid 18 and name HA )(resid 21 and name HN ) 3.0 1.2 0.5
assign (resid 18 and name HA )(resid 22 and name HN ) 4.0 2.2 1.0
assign (resid 18 and name HB* )(resid 22 and name HD* ) 3.0 1.2 3.0
assign (resid 19 and name HB* )(resid 20 and name HN ) 3.0 1.2 1.5
assign (resid 19 and name HA )(resid 22 and name HN ) 3.0 1.2 0.5
assign (resid 19 and name HA )(resid 22 and name HA ) 4.0 2.2 1.0
assign (resid 19 and name HA )(resid 22 and name HG1* ) 4.0 2.2 2.5
assign (resid 19 and name HA )(resid 22 and name HG2* ) 3.0 1.2 2.0
assign (resid 19 and name HA )(resid 22 and name HD* ) 2.6 0.8 1.8
assign (resid 19 and name HB* )(resid 22 and name HG2* ) 4.0 2.2 3.5
assign (resid 19 and name HB* )(resid 22 and name HD* ) 4.0 2.2 3.5
assign (resid 19 and name HD2 )(resid 22 and name HD* ) 4.0 2.2 2.5
assign (resid 19 and name HD2 )(resid 22 and name HB ) 4.0 2.2 1.0
assign (resid 20 and name HN )(resid 21 and name HN ) 2.6 0.8 0.3
assign (resid 20 and name HB* )(resid 21 and name HN ) 3.0 1.2 1.5
assign (resid 20 and name HA )(resid 23 and name HB* ) 2.6 0.8 1.3
assign (resid 20 and name HA )(resid 23 and name HN ) 3.0 1.2 0.5
assign (resid 21 and name HB1 )(resid 22 and name HN ) 2.6 0.8 0.3
assign (resid 21 and name HN )(resid 22 and name HN ) 2.6 0.8 0.3
assign (resid 21 and name HA )(resid 24 and name HA ) 4.0 2.2 1.0
assign (resid 21 and name HA )(resid 24 and name HB1 ) 3.0 1.2 0.5
assign (resid 21 and name HD* )(resid 24 and name HD2 ) 2.6 0.8 3.2
assign (resid 21 and name HD* )(resid 24 and name HN ) 4.0 2.2 3.9
assign (resid 21 and name HA )(resid 24 and name HN ) 3.0 1.2 0.5
assign (resid 21 and name HA )(resid 24 and name HD2 ) 3.0 1.2 0.5
assign (resid 21 and name HD* )(resid 25 and name HN ) 4.0 2.2 3.9
assign (resid 21 and name HD* )(resid 25 and name HB* ) 2.6 0.8 4.2
assign (resid 22 and name HN )(resid 23 and name HN ) 2.6 0.8 0.3
assign (resid 22 and name HA )(resid 23 and name HN ) 3.0 1.2 0.5
assign (resid 22 and name HG2* )(resid 23 and name HA ) 4.0 2.2 2.5
assign (resid 22 and name HA )(resid 25 and name HN ) 3.0 1.2 0.5
assign (resid 22 and name HA )(resid 25 and name HB* ) 2.6 0.8 1.3
assign (resid 22 and name HG2* )(resid 26 and name HE* ) 4.0 2.2 3.5
assign (resid 23 and name HN )(resid 24 and name HN ) 2.6 0.8 0.3
assign (resid 23 and name HA )(resid 24 and name HN ) 4.0 2.2 1.0
assign (resid 23 and name HB* )(resid 24 and name HN ) 2.6 0.8 1.3
assign (resid 23 and name HA )(resid 25 and name HN ) 4.0 2.2 1.0
assign (resid 23 and name HA )(resid 26 and name HN ) 4.0 2.2 1.0
assign (resid 23 and name HA )(resid 26 and name HE* ) 4.0 2.2 2.0
assign (resid 24 and name HD2 )(resid 24 and name HB* ) 2.6 0.8 1.3
assign (resid 24 and name HN )(resid 25 and name HN ) 2.6 0.8 0.3
assign (resid 24 and name HA )(resid 25 and name HN ) 4.0 2.2 1.0
assign (resid 24 and name HB1 )(resid 25 and name HN ) 3.0 1.2 0.5
assign (resid 24 and name HD2 )(resid 25 and name HN ) 3.0 1.2 0.5
assign (resid 24 and name HD2 )(resid 25 and name HA ) 3.0 1.2 0.5
assign (resid 24 and name HD2 )(resid 25 and name HB* ) 2.6 0.8 1.3
assign (resid 24 and name HA )(resid 27 and name HN ) 4.0 2.2 1.0
assign (resid 24 and name HD2 )(resid 28 and name HD2 ) 3.0 1.2 0.5
assign (resid 25 and name HN )(resid 26 and name HN ) 2.6 0.8 0.3
assign (resid 25 and name HA )(resid 26 and name HN ) 4.0 2.2 1.0
assign (resid 25 and name HB* )(resid 26 and name HN ) 3.0 1.2 1.5
assign (resid 25 and name HN )(resid 28 and name HD2 ) 4.0 2.2 1.0
assign (resid 25 and name HA )(resid 28 and name HD2 ) 2.2 0.4 0.1
assign (resid 25 and name HA )(resid 28 and name HN ) 3.0 1.2 0.5
assign (resid 25 and name HA )(resid 28 and name HB* ) 3.0 1.2 1.5
assign (resid 26 and name HN )(resid 27 and name HN ) 2.6 0.8 0.3
assign (resid 26 and name HA )(resid 27 and name HN ) 3.0 1.2 0.5
assign (resid 26 and name HB* )(resid 27 and name HN ) 3.0 1.2 1.5
assign (resid 26 and name HA )(resid 29 and name HN ) 4.0 2.2 1.0
assign (resid 26 and name HA )(resid 29 and name HB* ) 4.0 2.2 2.0
assign (resid 26 and name HA )(resid 29 and name HG* ) 4.0 2.2 2.0
assign (resid 27 and name HN )(resid 28 and name HN ) 2.6 0.8 0.3
assign (resid 28 and name HD2 )(resid 28 and name HB* ) 2.6 0.8 1.3
assign (resid 28 and name HN )(resid 29 and name HN ) 2.6 0.8 0.3
assign (resid 28 and name HA )(resid 29 and name HN ) 3.0 1.2 0.5
assign (resid 29 and name HN )(resid 30 and name HN ) 3.0 1.2 0.5
assign (resid 29 and name HB* )(resid 30 and name HN ) 3.0 1.2 1.5
assign (resid 31 and name HA )(resid 32 and name HN ) 2.6 0.8 0.3
!lower limit constraints
assign (resid 5 and name HN )(resid 6 and name HN ) 4.0 0.7 6.0
assign (resid 6 and name HN )(resid 7 and name HN ) 4.0 0.7 6.0
assign (resid 14 and name HN )(resid 15 and name HN ) 4.0 0.7 6.0
assign (resid 15 and name HN )(resid 16 and name HN ) 4.0 0.7 6.0
REMARK
REMARK B. NMR dihedral angle constraints
REMARK
REMARK i,j,k,l are the scale factor, the mid-point angle, the angle
REMARK half-width and the exponent, respectively. i.e. -60.0 +/-30
REMARK indicates that the square-well torsion angle potential extends
REMARK from -90 to -30 degrees.
REMARK
!Chi1 angle constraints
assign ( resid 6 and name N and segid SWS )
( resid 6 and name CA and segid SWS )
( resid 6 and name CB and segid SWS )
( resid 6 and name SG and segid SWS ) 1.0 180 30 2
assign ( resid 11 and name N and segid SWS )
( resid 11 and name CA and segid SWS )
( resid 11 and name CB and segid SWS )
( resid 11 and name SG and segid SWS ) 1.0 180 30 2
assign ( resid 15 and name N and segid SWS )
( resid 15 and name CA and segid SWS )
( resid 15 and name CB and segid SWS )
( resid 15 and name CG and segid SWS ) 1.0 -80 20 2
assign ( resid 18 and name N and segid SWS )
( resid 18 and name CA and segid SWS )
( resid 18 and name CB and segid SWS )
( resid 18 and name CG and segid SWS ) 1.0 180 50 2
assign ( resid 21 and name N and segid SWS )
( resid 21 and name CA and segid SWS )
( resid 21 and name CB and segid SWS )
( resid 21 and name CG and segid SWS ) 1.0 -160 20 2
assign ( resid 24 and name N and segid SWS )
( resid 24 and name CA and segid SWS )
( resid 24 and name CB and segid SWS )
( resid 24 and name CG and segid SWS ) 1.0 150 30 2
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ASP 39 2H ASP 39 -9.639 -13.872 -7.263
2 2H ASP 39 1H ASP 39 -10.906 -14.095 -8.372
3 3H ASP 39 3H ASP 39 -9.606 -15.187 -8.337
4 HA ASP 39 HA ASP 39 -8.136 -13.736 -9.308
5 1HB ASP 39 2HB ASP 39 -9.414 -12.731 -11.263
6 2HB ASP 39 1HB ASP 39 -9.836 -14.417 -10.971
7 H ARG 40 H ARG 40 -8.760 -12.493 -6.881
8 HA ARG 40 HA ARG 40 -8.805 -10.382 -5.860
9 1HB ARG 40 2HB ARG 40 -7.415 -9.925 -8.530
10 2HB ARG 40 1HB ARG 40 -7.594 -8.615 -7.366
11 1HG ARG 40 2HG ARG 40 -6.300 -9.754 -5.719
12 2HG ARG 40 1HG ARG 40 -6.426 -11.292 -6.565
13 1HD ARG 40 2HD ARG 40 -5.045 -8.877 -7.773
14 2HD ARG 40 1HD ARG 40 -4.187 -10.086 -6.819
15 HE ARG 40 HE ARG 40 -5.765 -11.238 -8.995
16 1HH1 ARG 40 1HH1 ARG 40 -3.396 -12.624 -8.183
17 2HH1 ARG 40 2HH1 ARG 40 -2.190 -12.150 -9.332
18 1HH2 ARG 40 1HH2 ARG 40 -4.020 -9.359 -10.404
19 2HH2 ARG 40 2HH2 ARG 40 -2.552 -10.252 -10.622
20 HA PRO 41 HA PRO 41 -12.584 -9.251 -8.409
21 1HB PRO 41 2HB PRO 41 -14.050 -9.247 -5.840
22 2HB PRO 41 1HB PRO 41 -14.348 -10.249 -7.266
23 1HG PRO 41 2HG PRO 41 -13.178 -11.103 -4.773
24 2HG PRO 41 1HG PRO 41 -13.338 -12.065 -6.249
25 1HD PRO 41 1HD PRO 41 -10.911 -10.888 -5.118
26 2HD PRO 41 2HD PRO 41 -11.051 -11.956 -6.524
27 H TYR 42 H TYR 42 -10.723 -8.044 -5.859
28 HA TYR 42 HA TYR 42 -11.914 -5.305 -6.214
29 1HB TYR 42 2HB TYR 42 -10.815 -6.582 -3.638
30 2HB TYR 42 1HB TYR 42 -11.294 -4.894 -3.802
31 HD1 TYR 42 HD1 TYR 42 -13.665 -4.306 -4.318
32 HD2 TYR 42 HD2 TYR 42 -12.502 -8.296 -3.425
33 HE1 TYR 42 HE1 TYR 42 -16.007 -4.895 -3.920
34 HE2 TYR 42 HE2 TYR 42 -14.845 -8.888 -3.028
35 HH TYR 42 HH TYR 42 -17.453 -6.557 -3.568
36 H SER 43 H SER 43 -10.271 -5.148 -7.854
37 HA SER 43 HA SER 43 -7.500 -4.739 -6.746
38 1HB SER 43 2HB SER 43 -7.676 -6.379 -8.636
39 2HB SER 43 1HB SER 43 -8.441 -5.135 -9.643
40 HG SER 43 HG SER 43 -6.491 -3.846 -8.865
41 H CYS 44 H CYS 44 -8.348 -2.633 -5.933
42 HA CYS 44 HA CYS 44 -9.378 -0.538 -7.431
43 1HB CYS 44 2HB CYS 44 -8.925 -0.195 -5.097
44 2HB CYS 44 1HB CYS 44 -7.245 -0.626 -5.278
45 H ASP 45 H ASP 45 -8.518 1.101 -8.751
46 HA ASP 45 HA ASP 45 -5.733 0.631 -9.803
47 1HB ASP 45 2HB ASP 45 -7.516 -0.273 -11.363
48 2HB ASP 45 1HB ASP 45 -8.212 1.342 -11.456
49 H HIS 46 H HIS 46 -6.158 2.512 -7.893
50 HA HIS 46 HA HIS 46 -6.678 5.100 -9.168
51 1HB HIS 46 2HB HIS 46 -7.391 4.893 -6.862
52 2HB HIS 46 1HB HIS 46 -5.854 4.195 -6.378
53 HD1 HIS 46 HD1 HIS 46 -7.407 7.408 -7.005
54 HD2 HIS 46 HD2 HIS 46 -3.707 6.039 -6.076
55 HE1 HIS 46 HE1 HIS 46 -6.169 9.383 -6.347
56 HA PRO 47 HA PRO 47 -2.465 5.748 -10.482
57 1HB PRO 47 2HB PRO 47 -2.446 8.618 -9.858
58 2HB PRO 47 1HB PRO 47 -2.620 7.858 -11.444
59 1HG PRO 47 2HG PRO 47 -4.702 9.123 -9.812
60 2HG PRO 47 1HG PRO 47 -4.844 8.491 -11.458
61 1HD PRO 47 1HD PRO 47 -5.935 7.315 -9.074
62 2HD PRO 47 2HD PRO 47 -5.901 6.593 -10.695
63 H GLY 48 H GLY 48 -0.707 5.254 -9.327
64 1HA GLY 48 2HA GLY 48 1.002 5.607 -7.681
65 2HA GLY 48 1HA GLY 48 -0.054 6.749 -6.853
66 H CYS 49 H CYS 49 -1.589 3.852 -7.735
67 HA CYS 49 HA CYS 49 -1.696 3.025 -4.882
68 1HB CYS 49 2HB CYS 49 -3.751 3.173 -6.301
69 2HB CYS 49 1HB CYS 49 -3.099 1.957 -7.365
70 H ASP 50 H ASP 50 -1.503 0.747 -4.343
71 HA ASP 50 HA ASP 50 -0.159 -1.085 -6.128
72 1HB ASP 50 2HB ASP 50 2.051 -1.077 -4.964
73 2HB ASP 50 1HB ASP 50 1.718 0.514 -5.643
74 H LYS 51 H LYS 51 -2.396 -1.239 -4.396
75 HA LYS 51 HA LYS 51 -1.470 -3.460 -2.630
76 1HB LYS 51 2HB LYS 51 -3.502 -1.396 -1.707
77 2HB LYS 51 1HB LYS 51 -2.735 -2.639 -0.739
78 1HG LYS 51 2HG LYS 51 -0.491 -1.447 -1.421
79 2HG LYS 51 1HG LYS 51 -1.526 -0.087 -1.833
80 1HD LYS 51 2HD LYS 51 -1.605 -1.452 0.882
81 2HD LYS 51 1HD LYS 51 -0.590 -0.059 0.539
82 1HE LYS 51 2HE LYS 51 -2.619 1.211 -0.165
83 2HE LYS 51 1HE LYS 51 -3.611 -0.169 0.285
84 1HZ LYS 51 2HZ LYS 51 -1.839 1.354 2.113
85 2HZ LYS 51 1HZ LYS 51 -3.532 1.476 2.041
86 3HZ LYS 51 3HZ LYS 51 -2.806 0.026 2.548
87 H ALA 52 H ALA 52 -2.417 -5.103 -3.666
88 HA ALA 52 HA ALA 52 -5.075 -4.893 -4.851
89 1HB ALA 52 3HB ALA 52 -3.298 -6.429 -5.740
90 2HB ALA 52 2HB ALA 52 -3.353 -7.347 -4.238
91 3HB ALA 52 1HB ALA 52 -4.752 -7.322 -5.307
92 H PHE 53 H PHE 53 -6.756 -6.525 -4.293
93 HA PHE 53 HA PHE 53 -6.829 -7.280 -1.415
94 1HB PHE 53 2HB PHE 53 -8.818 -5.403 -2.768
95 2HB PHE 53 1HB PHE 53 -9.089 -6.132 -1.198
96 HD1 PHE 53 HD2 PHE 53 -7.321 -5.676 0.636
97 HD2 PHE 53 HD1 PHE 53 -7.496 -3.452 -2.994
98 HE1 PHE 53 HE2 PHE 53 -5.967 -3.896 1.653
99 HE2 PHE 53 HE1 PHE 53 -6.139 -1.687 -1.973
100 HZ PHE 53 HZ PHE 53 -5.381 -1.898 0.350
101 H VAL 54 H VAL 54 -8.648 -8.612 -0.863
102 HA VAL 54 HA VAL 54 -9.778 -10.107 -3.224
103 HB VAL 54 HB VAL 54 -9.002 -11.147 -0.443
104 1HG1 VAL 54 3HG1 VAL 54 -10.186 -12.482 -2.896
105 2HG1 VAL 54 2HG1 VAL 54 -9.431 -13.386 -1.587
106 3HG1 VAL 54 1HG1 VAL 54 -10.871 -12.421 -1.275
107 1HG2 VAL 54 3HG2 VAL 54 -7.109 -10.571 -2.048
108 2HG2 VAL 54 2HG2 VAL 54 -7.164 -12.257 -1.542
109 3HG2 VAL 54 1HG2 VAL 54 -7.760 -11.795 -3.133
110 H ARG 55 H ARG 55 -10.291 -8.767 -0.034
111 HA ARG 55 HA ARG 55 -13.105 -9.682 0.042
112 1HB ARG 55 2HB ARG 55 -11.394 -7.958 1.901
113 2HB ARG 55 1HB ARG 55 -13.077 -8.355 2.228
114 1HG ARG 55 2HG ARG 55 -12.585 -10.709 2.349
115 2HG ARG 55 1HG ARG 55 -10.962 -10.465 1.710
116 1HD ARG 55 2HD ARG 55 -10.405 -9.104 3.733
117 2HD ARG 55 1HD ARG 55 -12.006 -9.455 4.381
118 HE ARG 55 HE ARG 55 -11.165 -11.552 5.033
119 1HH1 ARG 55 1HH1 ARG 55 -10.764 -12.872 2.565
120 2HH1 ARG 55 2HH1 ARG 55 -9.047 -13.038 2.402
121 1HH2 ARG 55 1HH2 ARG 55 -8.379 -10.579 4.809
122 2HH2 ARG 55 2HH2 ARG 55 -7.662 -11.705 3.706
123 H ASN 56 H ASN 56 -14.648 -7.808 0.867
124 HA ASN 56 HA ASN 56 -14.566 -5.749 -1.287
125 1HB ASN 56 2HB ASN 56 -16.658 -7.088 -0.891
126 2HB ASN 56 1HB ASN 56 -16.749 -6.447 0.748
127 1HD2 ASN 56 2HD2 ASN 56 -18.756 -3.858 -0.562
128 2HD2 ASN 56 1HD2 ASN 56 -18.651 -5.179 0.499
129 H HIS 57 H HIS 57 -15.468 -5.723 2.180
130 HA HIS 57 HA HIS 57 -15.446 -2.986 2.595
131 1HB HIS 57 2HB HIS 57 -15.664 -3.660 4.811
132 2HB HIS 57 1HB HIS 57 -15.458 -5.307 4.237
133 HD1 HIS 57 HD1 HIS 57 -12.912 -6.088 4.311
134 HD2 HIS 57 HD2 HIS 57 -13.672 -2.743 6.474
135 HE1 HIS 57 HE1 HIS 57 -11.015 -5.875 5.804
136 H ASP 58 H ASP 58 -12.600 -5.092 2.435
137 HA ASP 58 HA ASP 58 -10.628 -3.274 3.249
138 1HB ASP 58 2HB ASP 58 -10.580 -5.335 0.987
139 2HB ASP 58 1HB ASP 58 -9.141 -4.527 1.598
140 H LEU 59 H LEU 59 -11.944 -3.723 -0.032
141 HA LEU 59 HA LEU 59 -10.438 -1.623 -1.249
142 1HB LEU 59 2HB LEU 59 -12.241 -3.546 -2.115
143 2HB LEU 59 1HB LEU 59 -13.263 -2.121 -2.220
144 HG LEU 59 HG LEU 59 -12.106 -2.539 -4.362
145 1HD1 LEU 59 1HD1 LEU 59 -12.586 -0.189 -3.507
146 2HD1 LEU 59 3HD1 LEU 59 -10.897 -0.092 -3.028
147 3HD1 LEU 59 2HD1 LEU 59 -11.318 -0.289 -4.724
148 1HD2 LEU 59 1HD2 LEU 59 -9.909 -3.330 -2.795
149 2HD2 LEU 59 3HD2 LEU 59 -9.861 -3.067 -4.535
150 3HD2 LEU 59 2HD2 LEU 59 -9.376 -1.783 -3.434
151 H ILE 60 H ILE 60 -13.384 -1.599 0.642
152 HA ILE 60 HA ILE 60 -14.086 1.122 -0.035
153 HB ILE 60 HB ILE 60 -14.822 -0.431 2.491
154 1HG1 ILE 60 2HG1 ILE 60 -16.060 -0.495 -0.286
155 2HG1 ILE 60 1HG1 ILE 60 -15.310 -1.840 0.562
156 1HG2 ILE 60 2HG2 ILE 60 -15.384 2.087 2.222
157 2HG2 ILE 60 1HG2 ILE 60 -16.418 1.624 0.875
158 3HG2 ILE 60 3HG2 ILE 60 -16.772 1.042 2.498
159 1HD1 ILE 60 2HD1 ILE 60 -17.099 -1.337 2.426
160 2HD1 ILE 60 1HD1 ILE 60 -17.940 -0.476 1.140
161 3HD1 ILE 60 3HD1 ILE 60 -17.605 -2.196 0.975
162 H ARG 61 H ARG 61 -12.407 -0.391 2.680
163 HA ARG 61 HA ARG 61 -11.917 2.162 3.991
164 1HB ARG 61 2HB ARG 61 -10.505 -0.528 4.377
165 2HB ARG 61 1HB ARG 61 -10.514 0.810 5.518
166 1HG ARG 61 2HG ARG 61 -12.998 -0.675 4.597
167 2HG ARG 61 1HG ARG 61 -12.162 -0.990 6.109
168 1HD ARG 61 2HD ARG 61 -12.476 1.595 6.520
169 2HD ARG 61 1HD ARG 61 -13.733 1.450 5.290
170 HE ARG 61 HE ARG 61 -14.122 -0.624 7.203
171 1HH1 ARG 61 1HH1 ARG 61 -13.991 2.793 7.008
172 2HH1 ARG 61 2HH1 ARG 61 -15.275 3.060 8.138
173 1HH2 ARG 61 1HH2 ARG 61 -15.860 -0.366 8.589
174 2HH2 ARG 61 2HH2 ARG 61 -16.362 1.224 9.058
175 H HIS 62 H HIS 62 -10.408 0.285 1.530
176 HA HIS 62 HA HIS 62 -7.808 1.621 1.809
177 1HB HIS 62 2HB HIS 62 -7.648 -0.650 1.047
178 2HB HIS 62 1HB HIS 62 -8.961 -0.435 -0.081
179 HD1 HIS 62 HD1 HIS 62 -5.408 0.008 0.157
180 HD2 HIS 62 HD2 HIS 62 -8.337 1.025 -2.466
181 HE1 HIS 62 HE1 HIS 62 -4.222 0.783 -1.810
182 H LYS 63 H LYS 63 -10.594 1.722 -0.371
183 HA LYS 63 HA LYS 63 -9.436 3.523 -2.267
184 1HB LYS 63 2HB LYS 63 -11.498 2.256 -2.747
185 2HB LYS 63 1HB LYS 63 -12.338 3.070 -1.434
186 1HG LYS 63 2HG LYS 63 -12.326 5.165 -2.574
187 2HG LYS 63 1HG LYS 63 -11.094 4.631 -3.709
188 1HD LYS 63 2HD LYS 63 -13.253 4.612 -4.844
189 2HD LYS 63 1HD LYS 63 -12.723 2.950 -4.619
190 1HE LYS 63 2HE LYS 63 -15.159 3.407 -4.017
191 2HE LYS 63 1HE LYS 63 -14.210 2.633 -2.758
192 1HZ LYS 63 1HZ LYS 63 -14.702 5.551 -2.930
193 2HZ LYS 63 3HZ LYS 63 -15.586 4.481 -1.951
194 3HZ LYS 63 2HZ LYS 63 -13.930 4.723 -1.664
195 H LYS 64 H LYS 64 -11.373 4.101 0.651
196 HA LYS 64 HA LYS 64 -11.552 6.937 0.319
197 1HB LYS 64 2HB LYS 64 -11.582 5.144 2.797
198 2HB LYS 64 1HB LYS 64 -11.900 6.873 2.874
199 1HG LYS 64 2HG LYS 64 -13.699 6.451 1.067
200 2HG LYS 64 1HG LYS 64 -13.509 4.743 1.442
201 1HD LYS 64 2HD LYS 64 -14.314 6.945 3.373
202 2HD LYS 64 1HD LYS 64 -15.334 5.636 2.791
203 1HE LYS 64 2HE LYS 64 -13.549 4.049 3.803
204 2HE LYS 64 1HE LYS 64 -12.962 5.470 4.659
205 1HZ LYS 64 2HZ LYS 64 -15.540 5.654 5.189
206 2HZ LYS 64 1HZ LYS 64 -15.420 3.968 5.024
207 3HZ LYS 64 3HZ LYS 64 -14.458 4.781 6.164
208 H SER 65 H SER 65 -8.888 4.977 0.933
209 HA SER 65 HA SER 65 -7.408 6.850 2.609
210 1HB SER 65 2HB SER 65 -6.985 4.301 2.418
211 2HB SER 65 1HB SER 65 -6.234 4.639 0.846
212 HG SER 65 HG SER 65 -5.586 6.126 3.156
213 H HIS 66 H HIS 66 -7.624 6.148 -0.839
214 HA HIS 66 HA HIS 66 -5.397 7.694 -1.697
215 1HB HIS 66 2HB HIS 66 -8.059 6.931 -2.974
216 2HB HIS 66 1HB HIS 66 -6.904 7.935 -3.848
217 HD1 HIS 66 HD1 HIS 66 -4.399 6.687 -3.601
218 HD2 HIS 66 HD2 HIS 66 -7.683 4.310 -3.567
219 HE1 HIS 66 HE1 HIS 66 -3.578 4.494 -4.224
220 H GLN 67 H GLN 67 -8.090 8.709 -0.040
221 HA GLN 67 HA GLN 67 -8.272 11.371 -1.344
222 1HB GLN 67 2HB GLN 67 -10.287 10.071 -0.416
223 2HB GLN 67 1HB GLN 67 -9.652 10.377 1.196
224 1HG GLN 67 2HG GLN 67 -9.679 12.841 0.673
225 2HG GLN 67 1HG GLN 67 -10.474 12.462 -0.853
226 1HE2 GLN 67 2HE2 GLN 67 -12.795 12.946 2.282
227 2HE2 GLN 67 1HE2 GLN 67 -11.266 13.645 2.045
228 H GLU 68 H GLU 68 -8.061 10.438 2.090
229 HA GLU 68 HA GLU 68 -6.917 11.430 3.871
230 1HB GLU 68 2HB GLU 68 -4.954 11.622 1.546
231 2HB GLU 68 1HB GLU 68 -4.526 12.312 3.105
232 1HG GLU 68 2HG GLU 68 -4.749 10.179 4.200
233 2HG GLU 68 1HG GLU 68 -5.488 9.455 2.776
234 H LYS 69 H LYS 69 -6.271 13.451 4.811
235 HA LYS 69 HA LYS 69 -7.680 15.722 3.549
236 1HB LYS 69 2HB LYS 69 -6.255 15.376 6.237
237 2HB LYS 69 1HB LYS 69 -7.108 16.841 5.762
238 1HG LYS 69 2HG LYS 69 -9.211 15.701 5.664
239 2HG LYS 69 1HG LYS 69 -8.439 14.121 5.741
240 1HD LYS 69 2HD LYS 69 -9.429 14.798 7.932
241 2HD LYS 69 1HD LYS 69 -7.688 14.562 8.032
242 1HE LYS 69 2HE LYS 69 -8.698 16.716 9.095
243 2HE LYS 69 1HE LYS 69 -7.253 16.879 8.105
244 1HZ LYS 69 1HZ LYS 69 -9.803 17.056 6.719
245 2HZ LYS 69 3HZ LYS 69 -9.414 18.347 7.752
246 3HZ LYS 69 2HZ LYS 69 -8.368 17.932 6.479
247 H ALA 70 H ALA 70 -6.235 17.856 4.549
248 HA ALA 70 HA ALA 70 -4.522 19.296 3.857
249 1HB ALA 70 2HB ALA 70 -3.300 17.574 5.341
250 2HB ALA 70 1HB ALA 70 -2.832 16.750 3.857
251 3HB ALA 70 3HB ALA 70 -2.280 18.394 4.162
No H/Q in entry = 251
Start of MODEL 2
1 1H ASP 39 2H ASP 39 -8.101 -13.750 -7.741
2 2H ASP 39 1H ASP 39 -6.996 -14.419 -8.844
3 3H ASP 39 3H ASP 39 -7.556 -15.345 -7.535
4 HA ASP 39 HA ASP 39 -6.116 -14.489 -6.101
5 1HB ASP 39 2HB ASP 39 -4.061 -13.487 -7.277
6 2HB ASP 39 1HB ASP 39 -4.575 -15.044 -7.920
7 H ARG 40 H ARG 40 -7.435 -12.976 -5.047
8 HA ARG 40 HA ARG 40 -8.108 -10.838 -4.360
9 1HB ARG 40 2HB ARG 40 -5.385 -9.984 -5.429
10 2HB ARG 40 1HB ARG 40 -6.240 -9.354 -4.025
11 1HG ARG 40 2HG ARG 40 -6.062 -11.711 -3.033
12 2HG ARG 40 1HG ARG 40 -4.938 -12.074 -4.336
13 1HD ARG 40 2HD ARG 40 -4.574 -9.733 -2.436
14 2HD ARG 40 1HD ARG 40 -3.832 -11.311 -2.183
15 HE ARG 40 HE ARG 40 -3.289 -10.155 -4.824
16 1HH1 ARG 40 HH2 ARG 40 -2.000 -11.648 -2.178
17 2HH1 ARG 40 HH2 ARG 40 -0.515 -10.757 -2.131
18 1HH2 ARG 40 HH1 ARG 40 -1.589 -8.447 -4.538
19 2HH2 ARG 40 HH1 ARG 40 -0.276 -8.897 -3.502
20 HA PRO 41 HA PRO 41 -8.942 -9.521 -8.742
21 1HB PRO 41 2HB PRO 41 -11.807 -9.527 -8.164
22 2HB PRO 41 1HB PRO 41 -10.926 -10.627 -9.232
23 1HG PRO 41 2HG PRO 41 -12.057 -11.232 -6.621
24 2HG PRO 41 1HG PRO 41 -11.170 -12.329 -7.688
25 1HD PRO 41 1HD PRO 41 -10.229 -11.057 -5.228
26 2HD PRO 41 2HD PRO 41 -9.382 -12.249 -6.233
27 H TYR 42 H TYR 42 -9.819 -8.450 -5.575
28 HA TYR 42 HA TYR 42 -10.913 -5.884 -6.488
29 1HB TYR 42 2HB TYR 42 -10.302 -7.139 -3.768
30 2HB TYR 42 1HB TYR 42 -10.616 -5.410 -3.879
31 HD1 TYR 42 HD1 TYR 42 -12.716 -4.798 -5.428
32 HD2 TYR 42 HD2 TYR 42 -12.181 -8.506 -3.418
33 HE1 TYR 42 HE1 TYR 42 -15.128 -5.198 -5.537
34 HE2 TYR 42 HE2 TYR 42 -14.597 -8.907 -3.525
35 HH TYR 42 HH TYR 42 -16.521 -8.242 -4.796
36 H SER 43 H SER 43 -8.835 -5.797 -7.763
37 HA SER 43 HA SER 43 -6.549 -4.693 -6.215
38 1HB SER 43 2HB SER 43 -7.010 -5.291 -9.185
39 2HB SER 43 1HB SER 43 -5.519 -4.557 -8.567
40 HG SER 43 HG SER 43 -4.967 -6.428 -7.802
41 H CYS 44 H CYS 44 -7.361 -2.720 -5.458
42 HA CYS 44 HA CYS 44 -8.863 -0.795 -6.768
43 1HB CYS 44 2HB CYS 44 -8.260 -0.198 -4.594
44 2HB CYS 44 1HB CYS 44 -6.608 -0.718 -4.795
45 H ASP 45 H ASP 45 -8.286 1.152 -7.916
46 HA ASP 45 HA ASP 45 -5.733 0.949 -9.494
47 1HB ASP 45 2HB ASP 45 -7.650 0.063 -10.848
48 2HB ASP 45 1HB ASP 45 -8.529 1.568 -10.589
49 H HIS 46 H HIS 46 -5.914 2.635 -7.345
50 HA HIS 46 HA HIS 46 -6.836 5.261 -8.211
51 1HB HIS 46 2HB HIS 46 -6.915 4.861 -5.832
52 2HB HIS 46 1HB HIS 46 -5.308 4.150 -5.817
53 HD1 HIS 46 HD1 HIS 46 -6.914 7.451 -6.018
54 HD2 HIS 46 HD2 HIS 46 -3.207 5.917 -5.482
55 HE1 HIS 46 HE1 HIS 46 -5.549 9.353 -5.400
56 HA PRO 47 HA PRO 47 -3.233 6.336 -10.595
57 1HB PRO 47 2HB PRO 47 -3.102 9.050 -9.380
58 2HB PRO 47 1HB PRO 47 -3.484 8.603 -11.049
59 1HG PRO 47 2HG PRO 47 -5.348 9.452 -9.004
60 2HG PRO 47 1HG PRO 47 -5.743 8.908 -10.641
61 1HD PRO 47 1HD PRO 47 -6.225 7.489 -8.170
62 2HD PRO 47 2HD PRO 47 -6.550 6.912 -9.810
63 H GLY 48 H GLY 48 -1.703 5.046 -9.629
64 1HA GLY 48 2HA GLY 48 0.533 5.065 -8.671
65 2HA GLY 48 1HA GLY 48 0.053 6.393 -7.617
66 H CYS 49 H CYS 49 -1.006 3.037 -8.290
67 HA CYS 49 HA CYS 49 -0.502 2.250 -5.539
68 1HB CYS 49 2HB CYS 49 -2.608 3.542 -5.304
69 2HB CYS 49 1HB CYS 49 -3.368 2.544 -6.508
70 H ASP 50 H ASP 50 -1.146 0.064 -5.096
71 HA ASP 50 HA ASP 50 -2.061 -1.636 -7.278
72 1HB ASP 50 2HB ASP 50 0.873 -1.524 -6.443
73 2HB ASP 50 1HB ASP 50 0.189 -2.980 -7.162
74 H LYS 51 H LYS 51 -2.459 -0.951 -4.375
75 HA LYS 51 HA LYS 51 -1.707 -3.277 -2.847
76 1HB LYS 51 2HB LYS 51 -2.785 -0.735 -2.291
77 2HB LYS 51 1HB LYS 51 -4.152 -1.784 -1.941
78 1HG LYS 51 2HG LYS 51 -1.358 -2.201 -0.805
79 2HG LYS 51 1HG LYS 51 -2.651 -1.369 0.047
80 1HD LYS 51 2HD LYS 51 -4.007 -3.342 0.110
81 2HD LYS 51 1HD LYS 51 -2.973 -4.177 -1.040
82 1HE LYS 51 2HE LYS 51 -1.126 -4.168 0.585
83 2HE LYS 51 1HE LYS 51 -2.119 -3.275 1.730
84 1HZ LYS 51 3HZ LYS 51 -3.127 -5.812 0.664
85 2HZ LYS 51 2HZ LYS 51 -1.928 -5.850 1.865
86 3HZ LYS 51 1HZ LYS 51 -3.412 -5.083 2.171
87 H ALA 52 H ALA 52 -2.469 -5.250 -3.223
88 HA ALA 52 HA ALA 52 -5.024 -5.662 -4.613
89 1HB ALA 52 2HB ALA 52 -2.929 -7.100 -4.930
90 2HB ALA 52 1HB ALA 52 -3.191 -7.733 -3.307
91 3HB ALA 52 3HB ALA 52 -4.382 -8.025 -4.570
92 H PHE 53 H PHE 53 -6.660 -7.122 -3.772
93 HA PHE 53 HA PHE 53 -6.816 -7.328 -0.804
94 1HB PHE 53 2HB PHE 53 -8.682 -5.736 -2.603
95 2HB PHE 53 1HB PHE 53 -9.256 -6.369 -1.071
96 HD1 PHE 53 HD2 PHE 53 -7.766 -5.817 1.020
97 HD2 PHE 53 HD1 PHE 53 -7.521 -3.680 -2.658
98 HE1 PHE 53 HE2 PHE 53 -6.703 -3.931 2.179
99 HE2 PHE 53 HE1 PHE 53 -6.460 -1.803 -1.492
100 HZ PHE 53 HZ PHE 53 -6.051 -1.925 0.925
101 H VAL 54 H VAL 54 -8.294 -8.868 -0.071
102 HA VAL 54 HA VAL 54 -9.041 -10.889 -2.129
103 HB VAL 54 HB VAL 54 -9.307 -11.155 0.903
104 1HG1 VAL 54 3HG1 VAL 54 -8.811 -13.115 -1.366
105 2HG1 VAL 54 2HG1 VAL 54 -8.881 -13.552 0.338
106 3HG1 VAL 54 1HG1 VAL 54 -10.315 -12.925 -0.470
107 1HG2 VAL 54 3HG2 VAL 54 -6.839 -11.439 -0.836
108 2HG2 VAL 54 2HG2 VAL 54 -7.032 -10.439 0.600
109 3HG2 VAL 54 1HG2 VAL 54 -6.976 -12.191 0.749
110 H ARG 55 H ARG 55 -10.479 -8.634 0.125
111 HA ARG 55 HA ARG 55 -13.217 -9.684 -0.590
112 1HB ARG 55 2HB ARG 55 -12.173 -8.129 1.825
113 2HB ARG 55 1HB ARG 55 -13.891 -8.338 1.504
114 1HG ARG 55 2HG ARG 55 -13.486 -10.837 1.432
115 2HG ARG 55 1HG ARG 55 -11.842 -10.527 1.980
116 1HD ARG 55 2HD ARG 55 -13.391 -11.066 3.870
117 2HD ARG 55 1HD ARG 55 -12.692 -9.454 4.019
118 HE ARG 55 HE ARG 55 -14.924 -8.714 4.017
119 1HH1 ARG 55 HH2 ARG 55 -15.871 -8.330 1.616
120 2HH1 ARG 55 HH2 ARG 55 -16.891 -9.653 1.159
121 1HH2 ARG 55 HH1 ARG 55 -15.595 -11.769 3.634
122 2HH2 ARG 55 HH1 ARG 55 -16.731 -11.652 2.333
123 H ASN 56 H ASN 56 -14.853 -7.721 -0.164
124 HA ASN 56 HA ASN 56 -14.066 -5.686 -2.181
125 1HB ASN 56 2HB ASN 56 -16.288 -6.955 -2.260
126 2HB ASN 56 1HB ASN 56 -16.761 -6.105 -0.793
127 1HD2 ASN 56 HD2 ASN 56 -16.022 -3.542 -3.905
128 2HD2 ASN 56 HD2 ASN 56 -14.848 -4.678 -3.448
129 H HIS 57 H HIS 57 -15.718 -5.661 0.995
130 HA HIS 57 HA HIS 57 -15.787 -2.943 1.506
131 1HB HIS 57 2HB HIS 57 -14.772 -4.901 3.621
132 2HB HIS 57 1HB HIS 57 -15.836 -3.513 3.847
133 HD1 HIS 57 HD1 HIS 57 -16.576 -6.476 4.490
134 HD2 HIS 57 HD2 HIS 57 -17.822 -4.462 1.200
135 HE1 HIS 57 HE1 HIS 57 -18.597 -7.617 3.801
136 H ASP 58 H ASP 58 -12.943 -5.044 2.050
137 HA ASP 58 HA ASP 58 -11.216 -3.164 3.181
138 1HB ASP 58 2HB ASP 58 -10.471 -5.115 0.938
139 2HB ASP 58 1HB ASP 58 -9.383 -4.460 2.156
140 H LEU 59 H LEU 59 -12.142 -3.549 -0.191
141 HA LEU 59 HA LEU 59 -10.359 -1.588 -1.282
142 1HB LEU 59 2HB LEU 59 -12.155 -3.428 -2.311
143 2HB LEU 59 1HB LEU 59 -13.097 -1.965 -2.524
144 HG LEU 59 HG LEU 59 -11.778 -2.430 -4.545
145 1HD1 LEU 59 HD1 LEU 59 -12.170 -0.055 -3.786
146 2HD1 LEU 59 HD1 LEU 59 -10.571 -0.071 -3.052
147 3HD1 LEU 59 HD1 LEU 59 -10.738 -0.245 -4.795
148 1HD2 LEU 59 HD2 LEU 59 -9.838 -3.462 -2.893
149 2HD2 LEU 59 HD2 LEU 59 -9.525 -2.981 -4.556
150 3HD2 LEU 59 HD2 LEU 59 -9.131 -1.890 -3.233
151 H ILE 60 H ILE 60 -13.598 -1.395 0.138
152 HA ILE 60 HA ILE 60 -14.014 1.367 -0.560
153 HB ILE 60 HB ILE 60 -15.254 -0.521 1.497
154 1HG1 ILE 60 2HG1 ILE 60 -17.234 -0.281 0.075
155 2HG1 ILE 60 1HG1 ILE 60 -16.411 0.916 -0.918
156 1HG2 ILE 60 1HG2 ILE 60 -15.778 2.465 1.053
157 2HG2 ILE 60 3HG2 ILE 60 -16.987 1.410 1.780
158 3HG2 ILE 60 2HG2 ILE 60 -15.439 1.656 2.580
159 1HD1 ILE 60 HD1 ILE 60 -15.242 -1.842 -0.526
160 2HD1 ILE 60 HD1 ILE 60 -16.447 -1.534 -1.771
161 3HD1 ILE 60 HD1 ILE 60 -14.909 -0.681 -1.806
162 H ARG 61 H ARG 61 -12.966 -0.227 2.423
163 HA ARG 61 HA ARG 61 -12.464 2.259 3.804
164 1HB ARG 61 2HB ARG 61 -11.540 -0.621 4.239
165 2HB ARG 61 1HB ARG 61 -11.080 0.684 5.327
166 1HG ARG 61 2HG ARG 61 -13.388 1.138 5.882
167 2HG ARG 61 1HG ARG 61 -13.961 0.053 4.619
168 1HD ARG 61 2HD ARG 61 -13.056 -1.880 5.784
169 2HD ARG 61 1HD ARG 61 -12.266 -0.847 6.974
170 HE ARG 61 HE ARG 61 -14.334 -0.683 8.096
171 1HH1 ARG 61 HH2 ARG 61 -14.669 -1.640 4.818
172 2HH1 ARG 61 HH2 ARG 61 -16.372 -1.934 4.920
173 1HH2 ARG 61 HH1 ARG 61 -16.531 -1.044 8.306
174 2HH2 ARG 61 HH1 ARG 61 -17.453 -1.589 6.946
175 H HIS 62 H HIS 62 -10.652 0.257 1.624
176 HA HIS 62 HA HIS 62 -8.066 1.382 2.258
177 1HB HIS 62 2HB HIS 62 -8.080 -0.784 1.189
178 2HB HIS 62 1HB HIS 62 -9.173 -0.219 -0.046
179 HD1 HIS 62 HD1 HIS 62 -5.647 -0.050 0.823
180 HD2 HIS 62 HD2 HIS 62 -8.074 1.095 -2.213
181 HE1 HIS 62 HE1 HIS 62 -4.130 0.700 -0.913
182 H LYS 63 H LYS 63 -10.548 2.024 -0.188
183 HA LYS 63 HA LYS 63 -8.933 4.150 -1.428
184 1HB LYS 63 2HB LYS 63 -10.794 2.581 -2.501
185 2HB LYS 63 1HB LYS 63 -11.931 3.754 -1.847
186 1HG LYS 63 2HG LYS 63 -10.439 5.543 -3.010
187 2HG LYS 63 1HG LYS 63 -9.749 4.192 -3.901
188 1HD LYS 63 2HD LYS 63 -12.678 4.986 -3.823
189 2HD LYS 63 1HD LYS 63 -11.591 5.137 -5.199
190 1HE LYS 63 2HE LYS 63 -11.241 2.586 -4.977
191 2HE LYS 63 1HE LYS 63 -12.651 2.605 -3.926
192 1HZ LYS 63 3HZ LYS 63 -12.665 3.753 -6.652
193 2HZ LYS 63 2HZ LYS 63 -13.094 2.143 -6.323
194 3HZ LYS 63 1HZ LYS 63 -13.997 3.417 -5.655
195 H LYS 64 H LYS 64 -9.825 4.258 1.469
196 HA LYS 64 HA LYS 64 -11.496 6.740 1.422
197 1HB LYS 64 2HB LYS 64 -11.924 4.674 2.982
198 2HB LYS 64 1HB LYS 64 -10.517 5.218 3.885
199 1HG LYS 64 2HG LYS 64 -11.564 7.317 4.428
200 2HG LYS 64 1HG LYS 64 -12.860 7.047 3.270
201 1HD LYS 64 2HD LYS 64 -13.698 6.559 5.511
202 2HD LYS 64 1HD LYS 64 -13.584 5.054 4.609
203 1HE LYS 64 2HE LYS 64 -11.267 5.977 6.319
204 2HE LYS 64 1HE LYS 64 -12.627 5.133 7.046
205 1HZ LYS 64 2HZ LYS 64 -11.943 3.700 4.785
206 2HZ LYS 64 1HZ LYS 64 -10.479 4.075 5.561
207 3HZ LYS 64 3HZ LYS 64 -11.703 3.254 6.406
208 H SER 65 H SER 65 -8.350 6.100 1.097
209 HA SER 65 HA SER 65 -7.513 8.517 2.701
210 1HB SER 65 2HB SER 65 -5.703 6.142 2.016
211 2HB SER 65 1HB SER 65 -5.428 7.405 3.232
212 HG SER 65 HG SER 65 -7.065 6.605 4.448
213 H HIS 66 H HIS 66 -7.433 6.804 -0.310
214 HA HIS 66 HA HIS 66 -5.239 7.996 -1.591
215 1HB HIS 66 2HB HIS 66 -7.949 6.982 -2.494
216 2HB HIS 66 1HB HIS 66 -6.991 7.878 -3.669
217 HD1 HIS 66 HD1 HIS 66 -4.287 6.814 -2.977
218 HD2 HIS 66 HD2 HIS 66 -7.506 4.387 -3.262
219 HE1 HIS 66 HE1 HIS 66 -3.372 4.618 -3.408
220 H GLN 67 H GLN 67 -8.568 9.222 -1.451
221 HA GLN 67 HA GLN 67 -8.235 11.594 -2.882
222 1HB GLN 67 2HB GLN 67 -9.854 11.047 -0.347
223 2HB GLN 67 1HB GLN 67 -10.026 12.519 -1.296
224 1HG GLN 67 2HG GLN 67 -10.496 11.053 -3.312
225 2HG GLN 67 1HG GLN 67 -10.554 9.677 -2.215
226 1HE2 GLN 67 2HE2 GLN 67 -13.959 10.325 -1.637
227 2HE2 GLN 67 1HE2 GLN 67 -12.752 9.194 -2.023
228 H GLU 68 H GLU 68 -7.560 11.041 0.568
229 HA GLU 68 HA GLU 68 -5.601 13.275 0.481
230 1HB GLU 68 2HB GLU 68 -7.820 13.105 2.588
231 2HB GLU 68 1HB GLU 68 -6.595 14.362 2.464
232 1HG GLU 68 2HG GLU 68 -7.510 14.872 0.141
233 2HG GLU 68 1HG GLU 68 -8.854 13.797 0.520
234 H LYS 69 H LYS 69 -4.116 11.526 0.711
235 HA LYS 69 HA LYS 69 -4.185 9.621 2.824
236 1HB LYS 69 2HB LYS 69 -1.724 10.900 1.533
237 2HB LYS 69 1HB LYS 69 -1.775 9.339 2.344
238 1HG LYS 69 2HG LYS 69 -3.592 8.702 0.614
239 2HG LYS 69 1HG LYS 69 -3.072 10.130 -0.275
240 1HD LYS 69 2HD LYS 69 -1.276 7.824 0.561
241 2HD LYS 69 1HD LYS 69 -1.875 8.110 -1.068
242 1HE LYS 69 2HE LYS 69 -0.779 10.451 -0.858
243 2HE LYS 69 1HE LYS 69 0.075 9.782 0.529
244 1HZ LYS 69 2HZ LYS 69 0.091 8.511 -2.145
245 2HZ LYS 69 1HZ LYS 69 1.266 9.628 -1.638
246 3HZ LYS 69 3HZ LYS 69 1.087 8.153 -0.816
247 H ALA 70 H ALA 70 -3.844 9.805 4.940
248 HA ALA 70 HA ALA 70 -1.991 11.738 6.060
249 1HB ALA 70 1HB ALA 70 -5.001 12.137 6.437
250 2HB ALA 70 3HB ALA 70 -3.768 12.982 7.369
251 3HB ALA 70 2HB ALA 70 -3.901 13.252 5.634
No H/Q in entry = 251
Start of MODEL 3
1 1H ASP 39 2H ASP 39 -9.409 -13.088 -10.047
2 2H ASP 39 1H ASP 39 -8.753 -14.636 -10.277
3 3H ASP 39 3H ASP 39 -10.208 -14.449 -9.422
4 HA ASP 39 HA ASP 39 -9.066 -14.400 -7.559
5 1HB ASP 39 2HB ASP 39 -6.657 -14.110 -9.423
6 2HB ASP 39 1HB ASP 39 -6.500 -14.229 -7.672
7 H ARG 40 H ARG 40 -8.880 -12.813 -6.102
8 HA ARG 40 HA ARG 40 -8.848 -10.624 -5.268
9 1HB ARG 40 2HB ARG 40 -6.763 -10.171 -7.451
10 2HB ARG 40 1HB ARG 40 -6.874 -9.350 -5.898
11 1HG ARG 40 2HG ARG 40 -6.431 -11.512 -4.742
12 2HG ARG 40 1HG ARG 40 -6.275 -12.304 -6.305
13 1HD ARG 40 2HD ARG 40 -4.470 -10.478 -6.802
14 2HD ARG 40 1HD ARG 40 -4.458 -10.245 -5.055
15 HE ARG 40 HE ARG 40 -3.305 -12.289 -4.865
16 1HH1 ARG 40 HH1 ARG 40 -3.806 -11.596 -8.081
17 2HH1 ARG 40 HH1 ARG 40 -3.686 -13.226 -8.656
18 1HH2 ARG 40 HH2 ARG 40 -3.654 -14.579 -5.423
19 2HH2 ARG 40 HH2 ARG 40 -3.598 -14.959 -7.112
20 HA PRO 41 HA PRO 41 -11.291 -9.167 -8.965
21 1HB PRO 41 2HB PRO 41 -13.682 -8.927 -7.329
22 2HB PRO 41 1HB PRO 41 -13.374 -10.131 -8.585
23 1HG PRO 41 2HG PRO 41 -13.401 -10.530 -5.683
24 2HG PRO 41 1HG PRO 41 -13.211 -11.753 -6.946
25 1HD PRO 41 1HD PRO 41 -11.152 -10.671 -5.199
26 2HD PRO 41 2HD PRO 41 -10.964 -11.904 -6.457
27 H TYR 42 H TYR 42 -10.764 -8.124 -5.709
28 HA TYR 42 HA TYR 42 -11.643 -5.342 -6.354
29 1HB TYR 42 2HB TYR 42 -10.891 -6.722 -3.712
30 2HB TYR 42 1HB TYR 42 -11.250 -5.002 -3.854
31 HD1 TYR 42 HD2 TYR 42 -13.502 -4.228 -4.490
32 HD2 TYR 42 HD1 TYR 42 -12.688 -8.361 -3.928
33 HE1 TYR 42 HE2 TYR 42 -15.904 -4.684 -4.413
34 HE2 TYR 42 HE1 TYR 42 -15.093 -8.820 -3.850
35 HH TYR 42 HH TYR 42 -17.448 -6.474 -4.723
36 H SER 43 H SER 43 -9.753 -5.382 -7.805
37 HA SER 43 HA SER 43 -7.177 -4.839 -6.362
38 1HB SER 43 2HB SER 43 -6.292 -4.891 -8.808
39 2HB SER 43 1HB SER 43 -6.946 -6.426 -8.209
40 HG SER 43 HG SER 43 -8.490 -4.445 -9.527
41 H CYS 44 H CYS 44 -7.916 -2.744 -5.618
42 HA CYS 44 HA CYS 44 -8.905 -0.659 -7.181
43 1HB CYS 44 2HB CYS 44 -8.556 -0.416 -4.780
44 2HB CYS 44 1HB CYS 44 -6.837 -0.659 -4.953
45 H ASP 45 H ASP 45 -7.989 0.962 -8.436
46 HA ASP 45 HA ASP 45 -5.103 0.688 -9.178
47 1HB ASP 45 2HB ASP 45 -5.767 0.839 -11.608
48 2HB ASP 45 1HB ASP 45 -6.403 -0.622 -10.857
49 H HIS 46 H HIS 46 -5.822 2.633 -7.585
50 HA HIS 46 HA HIS 46 -6.693 5.000 -9.069
51 1HB HIS 46 2HB HIS 46 -7.431 5.029 -6.800
52 2HB HIS 46 1HB HIS 46 -5.939 4.318 -6.205
53 HD1 HIS 46 HD1 HIS 46 -7.432 7.531 -6.893
54 HD2 HIS 46 HD2 HIS 46 -3.760 6.145 -5.887
55 HE1 HIS 46 HE1 HIS 46 -6.206 9.499 -6.193
56 HA PRO 47 HA PRO 47 -2.721 6.300 -10.528
57 1HB PRO 47 2HB PRO 47 -3.067 9.081 -9.545
58 2HB PRO 47 1HB PRO 47 -3.053 8.498 -11.214
59 1HG PRO 47 2HG PRO 47 -5.368 9.293 -9.649
60 2HG PRO 47 1HG PRO 47 -5.358 8.677 -11.308
61 1HD PRO 47 1HD PRO 47 -6.293 7.294 -8.957
62 2HD PRO 47 2HD PRO 47 -6.157 6.636 -10.596
63 H GLY 48 H GLY 48 -1.038 5.581 -9.400
64 1HA GLY 48 2HA GLY 48 0.767 5.793 -7.859
65 2HA GLY 48 1HA GLY 48 -0.114 7.078 -7.035
66 H CYS 49 H CYS 49 -0.910 3.678 -7.794
67 HA CYS 49 HA CYS 49 -1.085 3.122 -4.858
68 1HB CYS 49 2HB CYS 49 -3.358 3.679 -5.538
69 2HB CYS 49 1HB CYS 49 -3.242 2.674 -6.956
70 H ASP 50 H ASP 50 -1.156 0.868 -4.359
71 HA ASP 50 HA ASP 50 -0.662 -1.106 -6.441
72 1HB ASP 50 2HB ASP 50 1.668 -1.653 -5.429
73 2HB ASP 50 1HB ASP 50 1.589 -0.191 -6.408
74 H LYS 51 H LYS 51 -2.630 -1.486 -4.935
75 HA LYS 51 HA LYS 51 -1.747 -3.434 -2.841
76 1HB LYS 51 2HB LYS 51 -3.676 -1.107 -2.585
77 2HB LYS 51 1HB LYS 51 -3.891 -2.520 -1.560
78 1HG LYS 51 2HG LYS 51 -1.137 -1.268 -1.759
79 2HG LYS 51 1HG LYS 51 -2.346 -0.490 -0.754
80 1HD LYS 51 2HD LYS 51 -2.696 -2.586 0.494
81 2HD LYS 51 1HD LYS 51 -1.502 -3.389 -0.516
82 1HE LYS 51 2HE LYS 51 -1.015 -1.052 1.354
83 2HE LYS 51 1HE LYS 51 -0.418 -2.694 1.550
84 1HZ LYS 51 2HZ LYS 51 0.618 -2.244 -0.772
85 2HZ LYS 51 1HZ LYS 51 0.450 -0.615 -0.323
86 3HZ LYS 51 3HZ LYS 51 1.379 -1.666 0.632
87 H ALA 52 H ALA 52 -3.020 -5.227 -2.639
88 HA ALA 52 HA ALA 52 -5.264 -5.518 -4.634
89 1HB ALA 52 2HB ALA 52 -3.329 -7.587 -3.470
90 2HB ALA 52 1HB ALA 52 -4.661 -7.970 -4.553
91 3HB ALA 52 3HB ALA 52 -3.322 -6.981 -5.123
92 H PHE 53 H PHE 53 -6.908 -7.106 -4.007
93 HA PHE 53 HA PHE 53 -7.201 -7.660 -1.124
94 1HB PHE 53 2HB PHE 53 -9.028 -5.745 -2.629
95 2HB PHE 53 1HB PHE 53 -9.437 -6.431 -1.077
96 HD1 PHE 53 HD1 PHE 53 -7.853 -5.971 0.885
97 HD2 PHE 53 HD2 PHE 53 -7.544 -3.881 -2.814
98 HE1 PHE 53 HE1 PHE 53 -6.567 -4.190 1.990
99 HE2 PHE 53 HE2 PHE 53 -6.258 -2.111 -1.705
100 HZ PHE 53 HZ PHE 53 -5.770 -2.262 0.693
101 H VAL 54 H VAL 54 -8.900 -9.075 -0.638
102 HA VAL 54 HA VAL 54 -9.874 -10.626 -3.013
103 HB VAL 54 HB VAL 54 -9.781 -11.367 -0.038
104 1HG1 VAL 54 3HG1 VAL 54 -10.391 -12.951 -2.554
105 2HG1 VAL 54 2HG1 VAL 54 -10.093 -13.691 -0.984
106 3HG1 VAL 54 1HG1 VAL 54 -11.485 -12.637 -1.211
107 1HG2 VAL 54 3HG2 VAL 54 -7.919 -11.981 -2.354
108 2HG2 VAL 54 2HG2 VAL 54 -7.516 -11.154 -0.854
109 3HG2 VAL 54 1HG2 VAL 54 -7.892 -12.872 -0.836
110 H ARG 55 H ARG 55 -10.941 -9.147 0.031
111 HA ARG 55 HA ARG 55 -13.779 -9.715 -0.624
112 1HB ARG 55 2HB ARG 55 -12.412 -8.309 1.726
113 2HB ARG 55 1HB ARG 55 -14.153 -8.540 1.606
114 1HG ARG 55 2HG ARG 55 -13.680 -11.035 1.334
115 2HG ARG 55 1HG ARG 55 -12.015 -10.681 1.786
116 1HD ARG 55 2HD ARG 55 -12.744 -9.766 3.931
117 2HD ARG 55 1HD ARG 55 -14.435 -9.947 3.470
118 HE ARG 55 HE ARG 55 -14.271 -12.251 3.982
119 1HH1 ARG 55 HH1 ARG 55 -12.548 -13.786 2.804
120 2HH1 ARG 55 HH1 ARG 55 -11.076 -13.857 3.713
121 1HH2 ARG 55 HH2 ARG 55 -11.837 -10.972 5.553
122 2HH2 ARG 55 HH2 ARG 55 -10.662 -12.221 5.310
123 H ASN 56 H ASN 56 -15.074 -7.527 0.338
124 HA ASN 56 HA ASN 56 -14.396 -5.457 -1.725
125 1HB ASN 56 2HB ASN 56 -16.695 -6.483 -1.753
126 2HB ASN 56 1HB ASN 56 -16.960 -5.911 -0.110
127 1HD2 ASN 56 HD2 ASN 56 -16.310 -2.752 -2.604
128 2HD2 ASN 56 HD2 ASN 56 -15.125 -3.949 -2.394
129 H HIS 57 H HIS 57 -15.613 -5.632 1.630
130 HA HIS 57 HA HIS 57 -15.523 -2.980 2.378
131 1HB HIS 57 2HB HIS 57 -14.321 -5.228 4.066
132 2HB HIS 57 1HB HIS 57 -15.096 -3.761 4.657
133 HD1 HIS 57 HD1 HIS 57 -15.884 -7.096 3.805
134 HD2 HIS 57 HD2 HIS 57 -17.963 -3.615 3.851
135 HE1 HIS 57 HE1 HIS 57 -18.210 -7.769 3.754
136 H ASP 58 H ASP 58 -12.681 -5.157 2.482
137 HA ASP 58 HA ASP 58 -10.786 -3.335 3.409
138 1HB ASP 58 2HB ASP 58 -10.196 -5.149 1.028
139 2HB ASP 58 1HB ASP 58 -9.138 -4.739 2.377
140 H LEU 59 H LEU 59 -11.953 -3.717 0.086
141 HA LEU 59 HA LEU 59 -10.271 -1.723 -1.086
142 1HB LEU 59 2HB LEU 59 -12.151 -3.544 -2.016
143 2HB LEU 59 1HB LEU 59 -13.088 -2.064 -2.152
144 HG LEU 59 HG LEU 59 -11.893 -2.539 -4.259
145 1HD1 LEU 59 HD1 LEU 59 -12.240 -0.170 -3.460
146 2HD1 LEU 59 HD1 LEU 59 -10.593 -0.185 -2.847
147 3HD1 LEU 59 HD1 LEU 59 -10.889 -0.355 -4.572
148 1HD2 LEU 59 HD2 LEU 59 -9.848 -3.559 -2.715
149 2HD2 LEU 59 HD2 LEU 59 -9.650 -3.105 -4.402
150 3HD2 LEU 59 HD2 LEU 59 -9.168 -1.993 -3.128
151 H ILE 60 H ILE 60 -13.305 -1.553 0.673
152 HA ILE 60 HA ILE 60 -13.835 1.195 0.001
153 HB ILE 60 HB ILE 60 -14.726 -0.339 2.489
154 1HG1 ILE 60 2HG1 ILE 60 -15.940 -0.235 -0.297
155 2HG1 ILE 60 1HG1 ILE 60 -15.242 -1.648 0.482
156 1HG2 ILE 60 3HG2 ILE 60 -15.126 2.220 2.271
157 2HG2 ILE 60 2HG2 ILE 60 -16.161 1.849 0.896
158 3HG2 ILE 60 1HG2 ILE 60 -16.577 1.253 2.499
159 1HD1 ILE 60 HD1 ILE 60 -16.999 -1.164 2.378
160 2HD1 ILE 60 HD1 ILE 60 -17.809 -0.205 1.143
161 3HD1 ILE 60 HD1 ILE 60 -17.549 -1.927 0.889
162 H ARG 61 H ARG 61 -12.529 -0.338 2.920
163 HA ARG 61 HA ARG 61 -11.876 2.164 4.175
164 1HB ARG 61 2HB ARG 61 -11.107 -0.750 4.579
165 2HB ARG 61 1HB ARG 61 -10.151 0.468 5.414
166 1HG ARG 61 2HG ARG 61 -12.369 1.418 6.291
167 2HG ARG 61 1HG ARG 61 -13.127 -0.050 5.682
168 1HD ARG 61 2HD ARG 61 -12.500 -0.289 8.073
169 2HD ARG 61 1HD ARG 61 -11.584 -1.412 7.069
170 HE ARG 61 HE ARG 61 -9.935 0.794 7.189
171 1HH1 ARG 61 HH2 ARG 61 -11.362 -1.497 9.278
172 2HH1 ARG 61 HH2 ARG 61 -10.355 -1.120 10.636
173 1HH2 ARG 61 HH1 ARG 61 -8.730 1.496 8.962
174 2HH2 ARG 61 HH1 ARG 61 -8.826 0.619 10.453
175 H HIS 62 H HIS 62 -10.276 0.145 1.838
176 HA HIS 62 HA HIS 62 -7.679 1.394 2.155
177 1HB HIS 62 2HB HIS 62 -7.635 -0.812 1.203
178 2HB HIS 62 1HB HIS 62 -8.923 -0.425 0.094
179 HD1 HIS 62 HD1 HIS 62 -5.348 -0.044 0.453
180 HD2 HIS 62 HD2 HIS 62 -8.210 1.026 -2.228
181 HE1 HIS 62 HE1 HIS 62 -4.111 0.843 -1.428
182 H LYS 63 H LYS 63 -10.313 1.686 -0.202
183 HA LYS 63 HA LYS 63 -9.109 3.592 -1.901
184 1HB LYS 63 2HB LYS 63 -11.332 2.358 -2.208
185 2HB LYS 63 1HB LYS 63 -12.048 3.499 -1.083
186 1HG LYS 63 2HG LYS 63 -12.521 4.593 -3.095
187 2HG LYS 63 1HG LYS 63 -10.961 5.312 -2.729
188 1HD LYS 63 2HD LYS 63 -10.591 4.624 -4.937
189 2HD LYS 63 1HD LYS 63 -10.018 3.205 -4.072
190 1HE LYS 63 2HE LYS 63 -12.244 2.141 -4.348
191 2HE LYS 63 1HE LYS 63 -12.812 3.560 -5.216
192 1HZ LYS 63 1HZ LYS 63 -10.612 2.982 -6.591
193 2HZ LYS 63 3HZ LYS 63 -11.071 1.422 -6.100
194 3HZ LYS 63 2HZ LYS 63 -12.152 2.387 -6.986
195 H LYS 64 H LYS 64 -10.522 3.984 1.274
196 HA LYS 64 HA LYS 64 -11.117 6.710 1.340
197 1HB LYS 64 2HB LYS 64 -9.794 4.885 3.393
198 2HB LYS 64 1HB LYS 64 -10.171 6.559 3.777
199 1HG LYS 64 2HG LYS 64 -12.545 6.181 3.268
200 2HG LYS 64 1HG LYS 64 -12.195 4.539 2.747
201 1HD LYS 64 2HD LYS 64 -12.899 4.148 4.948
202 2HD LYS 64 1HD LYS 64 -11.164 4.290 5.190
203 1HE LYS 64 2HE LYS 64 -12.086 5.712 6.847
204 2HE LYS 64 1HE LYS 64 -11.628 6.821 5.565
205 1HZ LYS 64 3HZ LYS 64 -14.158 6.043 4.914
206 2HZ LYS 64 2HZ LYS 64 -14.211 6.223 6.602
207 3HZ LYS 64 1HZ LYS 64 -13.710 7.519 5.625
208 H SER 65 H SER 65 -7.956 5.169 1.388
209 HA SER 65 HA SER 65 -6.386 7.430 2.064
210 1HB SER 65 2HB SER 65 -5.596 5.295 0.013
211 2HB SER 65 1HB SER 65 -4.531 6.161 1.138
212 HG SER 65 HG SER 65 -5.003 4.273 2.153
213 H HIS 66 H HIS 66 -7.787 6.424 -1.003
214 HA HIS 66 HA HIS 66 -6.434 8.567 -2.491
215 1HB HIS 66 2HB HIS 66 -8.758 6.739 -3.293
216 2HB HIS 66 1HB HIS 66 -7.793 7.718 -4.394
217 HD1 HIS 66 HD1 HIS 66 -5.068 7.036 -3.415
218 HD2 HIS 66 HD2 HIS 66 -7.919 4.190 -3.818
219 HE1 HIS 66 HE1 HIS 66 -3.841 4.960 -3.644
220 H GLN 67 H GLN 67 -8.194 9.215 -0.207
221 HA GLN 67 HA GLN 67 -10.713 10.179 -0.764
222 1HB GLN 67 2HB GLN 67 -9.415 10.476 1.400
223 2HB GLN 67 1HB GLN 67 -8.536 11.799 0.643
224 1HG GLN 67 2HG GLN 67 -10.533 13.109 0.404
225 2HG GLN 67 1HG GLN 67 -11.562 11.735 0.800
226 1HE2 GLN 67 2HE2 GLN 67 -11.294 12.214 4.279
227 2HE2 GLN 67 1HE2 GLN 67 -11.975 11.320 3.007
228 H GLU 68 H GLU 68 -7.799 11.209 -2.259
229 HA GLU 68 HA GLU 68 -8.740 13.827 -3.077
230 1HB GLU 68 2HB GLU 68 -6.798 13.401 -4.870
231 2HB GLU 68 1HB GLU 68 -6.372 13.621 -3.178
232 1HG GLU 68 2HG GLU 68 -6.974 10.827 -4.171
233 2HG GLU 68 1HG GLU 68 -5.408 11.543 -4.541
234 H LYS 69 H LYS 69 -10.896 12.937 -3.743
235 HA LYS 69 HA LYS 69 -11.011 11.431 -6.248
236 1HB LYS 69 2HB LYS 69 -13.501 12.029 -6.053
237 2HB LYS 69 1HB LYS 69 -12.853 11.164 -4.666
238 1HG LYS 69 2HG LYS 69 -12.637 13.212 -3.397
239 2HG LYS 69 1HG LYS 69 -13.019 14.192 -4.806
240 1HD LYS 69 2HD LYS 69 -14.926 12.168 -3.569
241 2HD LYS 69 1HD LYS 69 -14.964 13.890 -3.216
242 1HE LYS 69 2HE LYS 69 -16.503 13.870 -4.956
243 2HE LYS 69 1HE LYS 69 -15.048 14.021 -5.932
244 1HZ LYS 69 2HZ LYS 69 -15.457 11.312 -5.363
245 2HZ LYS 69 1HZ LYS 69 -16.924 11.958 -5.925
246 3HZ LYS 69 3HZ LYS 69 -15.518 12.097 -6.868
247 H ALA 70 H ALA 70 -9.518 13.913 -6.352
248 HA ALA 70 HA ALA 70 -11.039 16.010 -7.559
249 1HB ALA 70 3HB ALA 70 -8.657 16.219 -6.732
250 2HB ALA 70 2HB ALA 70 -8.126 15.229 -8.088
251 3HB ALA 70 1HB ALA 70 -8.839 16.811 -8.381
No H/Q in entry = 251
Start of MODEL 4
1 1H ASP 39 1H ASP 39 -11.485 -13.510 -7.410
2 2H ASP 39 3H ASP 39 -11.465 -14.970 -8.278
3 3H ASP 39 2H ASP 39 -10.360 -14.719 -7.013
4 HA ASP 39 HA ASP 39 -8.954 -14.189 -8.643
5 1HB ASP 39 2HB ASP 39 -11.387 -13.298 -10.280
6 2HB ASP 39 1HB ASP 39 -9.736 -13.403 -10.886
7 H ARG 40 H ARG 40 -9.266 -12.608 -6.560
8 HA ARG 40 HA ARG 40 -9.151 -10.395 -5.766
9 1HB ARG 40 2HB ARG 40 -7.740 -10.352 -8.476
10 2HB ARG 40 1HB ARG 40 -7.761 -8.936 -7.439
11 1HG ARG 40 2HG ARG 40 -5.754 -9.977 -6.788
12 2HG ARG 40 1HG ARG 40 -6.874 -10.580 -5.579
13 1HD ARG 40 2HD ARG 40 -5.449 -12.396 -6.553
14 2HD ARG 40 1HD ARG 40 -7.160 -12.672 -6.845
15 HE ARG 40 HE ARG 40 -6.788 -12.300 -9.167
16 1HH1 ARG 40 HH2 ARG 40 -5.535 -10.083 -9.902
17 2HH1 ARG 40 HH2 ARG 40 -3.842 -10.412 -10.070
18 1HH2 ARG 40 HH1 ARG 40 -4.025 -13.360 -8.182
19 2HH2 ARG 40 HH1 ARG 40 -2.965 -12.316 -9.070
20 HA PRO 41 HA PRO 41 -12.748 -9.094 -8.465
21 1HB PRO 41 2HB PRO 41 -14.386 -8.846 -6.056
22 2HB PRO 41 1HB PRO 41 -14.582 -10.011 -7.370
23 1HG PRO 41 2HG PRO 41 -13.592 -10.520 -4.677
24 2HG PRO 41 1HG PRO 41 -13.803 -11.691 -5.987
25 1HD PRO 41 1HD PRO 41 -11.307 -10.577 -4.976
26 2HD PRO 41 2HD PRO 41 -11.519 -11.787 -6.253
27 H TYR 42 H TYR 42 -10.953 -7.927 -5.833
28 HA TYR 42 HA TYR 42 -11.935 -5.129 -6.333
29 1HB TYR 42 2HB TYR 42 -11.036 -6.420 -3.695
30 2HB TYR 42 1HB TYR 42 -11.363 -4.703 -3.906
31 HD1 TYR 42 HD1 TYR 42 -12.945 -8.052 -4.217
32 HD2 TYR 42 HD2 TYR 42 -13.588 -3.867 -3.833
33 HE1 TYR 42 HE1 TYR 42 -15.337 -8.448 -3.877
34 HE2 TYR 42 HE2 TYR 42 -15.978 -4.263 -3.485
35 HH TYR 42 HH TYR 42 -17.560 -5.795 -3.141
36 H SER 43 H SER 43 -10.207 -5.097 -7.892
37 HA SER 43 HA SER 43 -7.460 -4.901 -6.683
38 1HB SER 43 2HB SER 43 -7.505 -6.380 -8.617
39 2HB SER 43 1HB SER 43 -8.466 -5.225 -9.559
40 HG SER 43 HG SER 43 -5.772 -5.197 -8.910
41 H CYS 44 H CYS 44 -8.076 -2.774 -5.757
42 HA CYS 44 HA CYS 44 -8.940 -0.536 -7.175
43 1HB CYS 44 2HB CYS 44 -8.482 -0.465 -4.775
44 2HB CYS 44 1HB CYS 44 -6.789 -0.790 -5.036
45 H ASP 45 H ASP 45 -7.766 1.250 -8.089
46 HA ASP 45 HA ASP 45 -5.011 0.766 -9.017
47 1HB ASP 45 2HB ASP 45 -7.439 0.820 -10.872
48 2HB ASP 45 1HB ASP 45 -5.811 1.153 -11.455
49 H HIS 46 H HIS 46 -5.861 2.714 -7.343
50 HA HIS 46 HA HIS 46 -6.603 5.118 -8.744
51 1HB HIS 46 2HB HIS 46 -7.163 5.276 -6.456
52 2HB HIS 46 1HB HIS 46 -5.782 4.314 -5.952
53 HD1 HIS 46 HD1 HIS 46 -6.791 7.745 -6.377
54 HD2 HIS 46 HD2 HIS 46 -3.315 5.772 -5.721
55 HE1 HIS 46 HE1 HIS 46 -5.235 9.463 -5.674
56 HA PRO 47 HA PRO 47 -2.759 6.372 -10.503
57 1HB PRO 47 2HB PRO 47 -2.859 9.097 -9.335
58 2HB PRO 47 1HB PRO 47 -3.069 8.617 -11.024
59 1HG PRO 47 2HG PRO 47 -5.145 9.396 -9.134
60 2HG PRO 47 1HG PRO 47 -5.354 8.921 -10.825
61 1HD PRO 47 1HD PRO 47 -6.106 7.391 -8.511
62 2HD PRO 47 2HD PRO 47 -6.149 6.850 -10.196
63 H GLY 48 H GLY 48 -1.184 5.278 -9.445
64 1HA GLY 48 2HA GLY 48 0.851 5.364 -8.159
65 2HA GLY 48 1HA GLY 48 0.170 6.671 -7.193
66 H CYS 49 H CYS 49 -0.912 3.348 -7.974
67 HA CYS 49 HA CYS 49 -0.775 2.671 -5.069
68 1HB CYS 49 2HB CYS 49 -3.048 3.467 -5.354
69 2HB CYS 49 1HB CYS 49 -3.244 2.576 -6.838
70 H ASP 50 H ASP 50 -1.085 0.399 -4.660
71 HA ASP 50 HA ASP 50 -1.043 -1.480 -6.891
72 1HB ASP 50 2HB ASP 50 1.295 -2.345 -6.173
73 2HB ASP 50 1HB ASP 50 1.289 -0.811 -7.041
74 H LYS 51 H LYS 51 -2.239 -0.852 -4.126
75 HA LYS 51 HA LYS 51 -1.548 -3.311 -2.629
76 1HB LYS 51 2HB LYS 51 -2.087 -0.949 -1.624
77 2HB LYS 51 1HB LYS 51 -3.771 -1.342 -1.944
78 1HG LYS 51 2HG LYS 51 -3.614 -3.356 -0.562
79 2HG LYS 51 1HG LYS 51 -1.889 -3.110 -0.329
80 1HD LYS 51 2HD LYS 51 -3.802 -0.903 0.469
81 2HD LYS 51 1HD LYS 51 -3.620 -2.297 1.525
82 1HE LYS 51 2HE LYS 51 -1.344 -1.860 1.938
83 2HE LYS 51 1HE LYS 51 -1.171 -0.859 0.506
84 1HZ LYS 51 2HZ LYS 51 -3.105 0.085 2.433
85 2HZ LYS 51 1HZ LYS 51 -1.494 0.095 2.970
86 3HZ LYS 51 3HZ LYS 51 -1.926 0.941 1.562
87 H ALA 52 H ALA 52 -2.354 -5.017 -3.799
88 HA ALA 52 HA ALA 52 -5.031 -5.008 -4.923
89 1HB ALA 52 3HB ALA 52 -2.994 -7.213 -4.354
90 2HB ALA 52 2HB ALA 52 -4.544 -7.531 -5.126
91 3HB ALA 52 1HB ALA 52 -3.367 -6.485 -5.914
92 H PHE 53 H PHE 53 -6.685 -6.572 -4.286
93 HA PHE 53 HA PHE 53 -6.665 -7.294 -1.383
94 1HB PHE 53 2HB PHE 53 -8.628 -5.467 -2.814
95 2HB PHE 53 1HB PHE 53 -9.127 -6.335 -1.378
96 HD1 PHE 53 HD1 PHE 53 -7.960 -5.878 0.791
97 HD2 PHE 53 HD2 PHE 53 -7.089 -3.609 -2.710
98 HE1 PHE 53 HE1 PHE 53 -6.882 -4.151 2.168
99 HE2 PHE 53 HE2 PHE 53 -6.014 -1.892 -1.326
100 HZ PHE 53 HZ PHE 53 -5.912 -2.161 1.108
101 H VAL 54 H VAL 54 -8.779 -8.473 -0.863
102 HA VAL 54 HA VAL 54 -9.660 -10.190 -3.163
103 HB VAL 54 HB VAL 54 -9.023 -11.249 -0.362
104 1HG1 VAL 54 1HG1 VAL 54 -10.582 -12.526 -1.885
105 2HG1 VAL 54 3HG1 VAL 54 -9.259 -12.661 -3.039
106 3HG1 VAL 54 2HG1 VAL 54 -9.126 -13.418 -1.454
107 1HG2 VAL 54 3HG2 VAL 54 -7.263 -11.114 -2.830
108 2HG2 VAL 54 2HG2 VAL 54 -6.919 -10.441 -1.239
109 3HG2 VAL 54 1HG2 VAL 54 -6.941 -12.187 -1.472
110 H ARG 55 H ARG 55 -10.222 -8.953 0.078
111 HA ARG 55 HA ARG 55 -12.918 -10.023 0.251
112 1HB ARG 55 2HB ARG 55 -11.121 -9.102 2.106
113 2HB ARG 55 1HB ARG 55 -12.060 -7.631 1.904
114 1HG ARG 55 2HG ARG 55 -14.111 -8.781 2.526
115 2HG ARG 55 1HG ARG 55 -13.299 -10.342 2.512
116 1HD ARG 55 2HD ARG 55 -12.367 -8.095 4.314
117 2HD ARG 55 1HD ARG 55 -13.622 -9.227 4.818
118 HE ARG 55 HE ARG 55 -11.600 -10.896 3.970
119 1HH1 ARG 55 HH1 ARG 55 -10.813 -7.932 5.236
120 2HH1 ARG 55 HH1 ARG 55 -9.971 -8.523 6.630
121 1HH2 ARG 55 HH2 ARG 55 -10.980 -11.835 6.087
122 2HH2 ARG 55 HH2 ARG 55 -10.069 -10.791 7.125
123 H ASN 56 H ASN 56 -13.931 -7.429 1.345
124 HA ASN 56 HA ASN 56 -14.357 -5.929 -1.231
125 1HB ASN 56 2HB ASN 56 -16.309 -7.440 -0.782
126 2HB ASN 56 1HB ASN 56 -16.499 -6.721 0.814
127 1HD2 ASN 56 HD2 ASN 56 -18.855 -4.877 -1.324
128 2HD2 ASN 56 HD2 ASN 56 -18.717 -6.429 -0.650
129 H HIS 57 H HIS 57 -15.647 -5.623 2.081
130 HA HIS 57 HA HIS 57 -15.653 -2.846 2.170
131 1HB HIS 57 2HB HIS 57 -15.783 -3.057 4.572
132 2HB HIS 57 1HB HIS 57 -16.452 -4.568 3.967
133 HD1 HIS 57 HD1 HIS 57 -15.371 -6.513 4.974
134 HD2 HIS 57 HD2 HIS 57 -12.855 -3.343 5.173
135 HE1 HIS 57 HE1 HIS 57 -13.465 -7.323 6.230
136 H ASP 58 H ASP 58 -12.917 -4.900 2.095
137 HA ASP 58 HA ASP 58 -11.037 -3.151 3.382
138 1HB ASP 58 2HB ASP 58 -10.618 -5.188 1.129
139 2HB ASP 58 1HB ASP 58 -9.338 -4.498 2.122
140 H LEU 59 H LEU 59 -12.127 -3.537 0.048
141 HA LEU 59 HA LEU 59 -10.354 -1.572 -1.082
142 1HB LEU 59 2HB LEU 59 -12.115 -3.451 -2.078
143 2HB LEU 59 1HB LEU 59 -13.092 -2.010 -2.303
144 HG LEU 59 HG LEU 59 -11.779 -2.453 -4.328
145 1HD1 LEU 59 HD1 LEU 59 -12.182 -0.081 -3.520
146 2HD1 LEU 59 HD1 LEU 59 -10.543 -0.085 -2.883
147 3HD1 LEU 59 HD1 LEU 59 -10.814 -0.264 -4.611
148 1HD2 LEU 59 HD2 LEU 59 -9.820 -3.469 -2.681
149 2HD2 LEU 59 HD2 LEU 59 -9.522 -3.001 -4.349
150 3HD2 LEU 59 HD2 LEU 59 -9.125 -1.897 -3.039
151 H ILE 60 H ILE 60 -13.477 -1.427 0.480
152 HA ILE 60 HA ILE 60 -14.056 1.283 -0.300
153 HB ILE 60 HB ILE 60 -15.016 -0.174 2.208
154 1HG1 ILE 60 2HG1 ILE 60 -16.138 -0.306 -0.622
155 2HG1 ILE 60 1HG1 ILE 60 -15.311 -1.617 0.208
156 1HG2 ILE 60 2HG2 ILE 60 -15.568 2.287 1.912
157 2HG2 ILE 60 1HG2 ILE 60 -16.341 1.902 0.378
158 3HG2 ILE 60 3HG2 ILE 60 -17.008 1.276 1.882
159 1HD1 ILE 60 HD1 ILE 60 -17.192 -1.108 2.086
160 2HD1 ILE 60 HD1 ILE 60 -18.066 -0.522 0.674
161 3HD1 ILE 60 HD1 ILE 60 -17.508 -2.190 0.731
162 H ARG 61 H ARG 61 -12.586 -0.209 2.533
163 HA ARG 61 HA ARG 61 -12.163 2.356 3.853
164 1HB ARG 61 2HB ARG 61 -12.361 0.066 5.014
165 2HB ARG 61 1HB ARG 61 -10.758 -0.309 4.390
166 1HG ARG 61 2HG ARG 61 -9.769 1.525 5.608
167 2HG ARG 61 1HG ARG 61 -11.350 2.162 6.047
168 1HD ARG 61 2HD ARG 61 -11.802 0.282 7.485
169 2HD ARG 61 1HD ARG 61 -10.404 -0.600 6.872
170 HE ARG 61 HE ARG 61 -9.281 1.697 7.908
171 1HH1 ARG 61 HH2 ARG 61 -9.453 -1.229 9.029
172 2HH1 ARG 61 HH2 ARG 61 -9.864 -0.889 10.677
173 1HH2 ARG 61 HH1 ARG 61 -10.697 2.445 9.992
174 2HH2 ARG 61 HH1 ARG 61 -10.586 1.246 11.236
175 H HIS 62 H HIS 62 -10.392 0.266 1.694
176 HA HIS 62 HA HIS 62 -7.859 1.641 2.088
177 1HB HIS 62 2HB HIS 62 -7.666 -0.644 1.355
178 2HB HIS 62 1HB HIS 62 -8.875 -0.422 0.122
179 HD1 HIS 62 HD1 HIS 62 -5.350 0.070 0.677
180 HD2 HIS 62 HD2 HIS 62 -8.040 0.923 -2.241
181 HE1 HIS 62 HE1 HIS 62 -4.006 0.853 -1.181
182 H LYS 63 H LYS 63 -10.533 1.805 -0.193
183 HA LYS 63 HA LYS 63 -9.178 3.635 -1.977
184 1HB LYS 63 2HB LYS 63 -11.051 2.228 -2.762
185 2HB LYS 63 1HB LYS 63 -12.135 2.973 -1.593
186 1HG LYS 63 2HG LYS 63 -12.052 5.086 -2.709
187 2HG LYS 63 1HG LYS 63 -10.659 4.608 -3.673
188 1HD LYS 63 2HD LYS 63 -12.080 2.855 -4.771
189 2HD LYS 63 1HD LYS 63 -13.467 3.470 -3.879
190 1HE LYS 63 2HE LYS 63 -13.401 4.464 -6.129
191 2HE LYS 63 1HE LYS 63 -13.123 5.705 -4.912
192 1HZ LYS 63 1HZ LYS 63 -10.957 4.290 -6.358
193 2HZ LYS 63 3HZ LYS 63 -11.585 5.797 -6.823
194 3HZ LYS 63 2HZ LYS 63 -10.798 5.631 -5.328
195 H LYS 64 H LYS 64 -10.772 3.968 1.028
196 HA LYS 64 HA LYS 64 -11.609 6.729 0.633
197 1HB LYS 64 2HB LYS 64 -11.794 4.669 2.728
198 2HB LYS 64 1HB LYS 64 -11.237 6.164 3.466
199 1HG LYS 64 2HG LYS 64 -13.645 6.047 1.616
200 2HG LYS 64 1HG LYS 64 -13.782 5.858 3.359
201 1HD LYS 64 2HD LYS 64 -12.272 8.245 2.271
202 2HD LYS 64 1HD LYS 64 -14.029 8.271 2.238
203 1HE LYS 64 2HE LYS 64 -14.209 8.236 4.575
204 2HE LYS 64 1HE LYS 64 -12.630 7.491 4.792
205 1HZ LYS 64 2HZ LYS 64 -12.531 10.064 3.515
206 2HZ LYS 64 1HZ LYS 64 -13.164 10.110 5.090
207 3HZ LYS 64 3HZ LYS 64 -11.622 9.455 4.814
208 H SER 65 H SER 65 -8.644 5.166 1.305
209 HA SER 65 HA SER 65 -7.404 7.429 2.683
210 1HB SER 65 2HB SER 65 -5.289 6.066 2.314
211 2HB SER 65 1HB SER 65 -6.585 5.071 3.008
212 HG SER 65 HG SER 65 -6.954 5.160 0.396
213 H HIS 66 H HIS 66 -7.859 6.404 -0.604
214 HA HIS 66 HA HIS 66 -5.721 7.989 -1.742
215 1HB HIS 66 2HB HIS 66 -8.269 6.718 -2.838
216 2HB HIS 66 1HB HIS 66 -7.244 7.711 -3.871
217 HD1 HIS 66 HD1 HIS 66 -4.569 6.762 -2.977
218 HD2 HIS 66 HD2 HIS 66 -7.616 4.165 -3.598
219 HE1 HIS 66 HE1 HIS 66 -3.492 4.630 -3.376
220 H GLN 67 H GLN 67 -7.991 9.145 0.093
221 HA GLN 67 HA GLN 67 -7.969 11.754 -1.189
222 1HB GLN 67 2HB GLN 67 -9.826 10.616 -2.434
223 2HB GLN 67 1HB GLN 67 -10.613 10.225 -0.911
224 1HG GLN 67 2HG GLN 67 -11.618 12.244 -1.970
225 2HG GLN 67 1HG GLN 67 -10.890 12.634 -0.417
226 1HE2 GLN 67 2HE2 GLN 67 -8.374 13.599 -3.483
227 2HE2 GLN 67 1HE2 GLN 67 -8.916 12.003 -3.283
228 H GLU 68 H GLU 68 -7.003 12.224 0.851
229 HA GLU 68 HA GLU 68 -8.871 12.174 3.206
230 1HB GLU 68 2HB GLU 68 -5.838 12.527 2.984
231 2HB GLU 68 1HB GLU 68 -6.728 12.638 4.498
232 1HG GLU 68 2HG GLU 68 -7.633 10.312 4.024
233 2HG GLU 68 1HG GLU 68 -6.495 10.220 2.681
234 H LYS 69 H LYS 69 -9.820 14.038 1.797
235 HA LYS 69 HA LYS 69 -10.187 16.337 1.539
236 1HB LYS 69 2HB LYS 69 -10.381 16.009 4.064
237 2HB LYS 69 1HB LYS 69 -8.686 16.457 4.203
238 1HG LYS 69 2HG LYS 69 -9.093 18.672 3.420
239 2HG LYS 69 1HG LYS 69 -10.680 18.247 2.794
240 1HD LYS 69 2HD LYS 69 -10.932 19.487 4.897
241 2HD LYS 69 1HD LYS 69 -11.465 17.825 5.122
242 1HE LYS 69 2HE LYS 69 -9.932 18.785 6.947
243 2HE LYS 69 1HE LYS 69 -9.462 17.229 6.275
244 1HZ LYS 69 1HZ LYS 69 -8.391 19.831 5.344
245 2HZ LYS 69 3HZ LYS 69 -7.620 18.830 6.478
246 3HZ LYS 69 2HZ LYS 69 -7.860 18.283 4.888
247 H ALA 70 H ALA 70 -8.776 16.615 -0.228
248 HA ALA 70 HA ALA 70 -6.687 18.552 0.245
249 1HB ALA 70 3HB ALA 70 -5.485 16.443 0.890
250 2HB ALA 70 2HB ALA 70 -5.853 15.759 -0.690
251 3HB ALA 70 1HB ALA 70 -4.785 17.152 -0.562
No H/Q in entry = 251
Start of MODEL 5
1 1H ASP 39 1H ASP 39 -7.874 -13.003 -10.785
2 2H ASP 39 3H ASP 39 -8.382 -14.622 -10.716
3 3H ASP 39 2H ASP 39 -9.528 -13.380 -10.888
4 HA ASP 39 HA ASP 39 -9.688 -13.979 -8.668
5 1HB ASP 39 2HB ASP 39 -6.632 -13.968 -8.760
6 2HB ASP 39 1HB ASP 39 -7.541 -14.063 -7.255
7 H ARG 40 H ARG 40 -8.426 -12.611 -6.649
8 HA ARG 40 HA ARG 40 -8.505 -10.471 -5.690
9 1HB ARG 40 2HB ARG 40 -6.997 -10.118 -8.309
10 2HB ARG 40 1HB ARG 40 -7.256 -8.741 -7.242
11 1HG ARG 40 2HG ARG 40 -6.146 -9.909 -5.399
12 2HG ARG 40 1HG ARG 40 -5.979 -11.360 -6.379
13 1HD ARG 40 2HD ARG 40 -4.826 -8.739 -7.351
14 2HD ARG 40 1HD ARG 40 -3.933 -9.734 -6.203
15 HE ARG 40 HE ARG 40 -4.374 -10.359 -9.019
16 1HH1 ARG 40 HH2 ARG 40 -5.285 -12.830 -8.392
17 2HH1 ARG 40 HH2 ARG 40 -3.948 -13.763 -7.811
18 1HH2 ARG 40 HH1 ARG 40 -1.993 -10.926 -7.168
19 2HH2 ARG 40 HH1 ARG 40 -2.035 -12.657 -7.098
20 HA PRO 41 HA PRO 41 -12.199 -9.420 -8.378
21 1HB PRO 41 2HB PRO 41 -13.736 -9.350 -5.853
22 2HB PRO 41 1HB PRO 41 -13.993 -10.391 -7.259
23 1HG PRO 41 2HG PRO 41 -12.909 -11.184 -4.715
24 2HG PRO 41 1HG PRO 41 -12.989 -12.175 -6.178
25 1HD PRO 41 1HD PRO 41 -10.635 -10.913 -4.968
26 2HD PRO 41 2HD PRO 41 -10.693 -12.049 -6.325
27 H TYR 42 H TYR 42 -10.396 -8.091 -5.865
28 HA TYR 42 HA TYR 42 -11.613 -5.392 -6.343
29 1HB TYR 42 2HB TYR 42 -10.695 -6.594 -3.664
30 2HB TYR 42 1HB TYR 42 -11.118 -4.900 -3.903
31 HD1 TYR 42 HD2 TYR 42 -13.446 -4.385 -4.901
32 HD2 TYR 42 HD1 TYR 42 -12.427 -8.145 -3.204
33 HE1 TYR 42 HE2 TYR 42 -15.824 -4.905 -4.635
34 HE2 TYR 42 HE1 TYR 42 -14.805 -8.669 -2.940
35 HH TYR 42 HH TYR 42 -16.916 -8.073 -3.669
36 H SER 43 H SER 43 -9.903 -5.142 -7.848
37 HA SER 43 HA SER 43 -7.189 -4.742 -6.600
38 1HB SER 43 2HB SER 43 -7.328 -6.348 -8.553
39 2HB SER 43 1HB SER 43 -7.952 -5.028 -9.559
40 HG SER 43 HG SER 43 -5.735 -4.419 -8.034
41 H CYS 44 H CYS 44 -7.998 -2.651 -5.776
42 HA CYS 44 HA CYS 44 -9.037 -0.536 -7.227
43 1HB CYS 44 2HB CYS 44 -8.564 -0.218 -4.906
44 2HB CYS 44 1HB CYS 44 -6.887 -0.651 -5.099
45 H ASP 45 H ASP 45 -8.135 1.226 -8.370
46 HA ASP 45 HA ASP 45 -5.391 0.802 -9.503
47 1HB ASP 45 2HB ASP 45 -7.272 -0.084 -11.041
48 2HB ASP 45 1HB ASP 45 -7.826 1.581 -11.184
49 H HIS 46 H HIS 46 -5.782 2.575 -7.554
50 HA HIS 46 HA HIS 46 -6.525 5.187 -8.597
51 1HB HIS 46 2HB HIS 46 -6.854 4.623 -6.204
52 2HB HIS 46 1HB HIS 46 -5.140 4.270 -6.026
53 HD1 HIS 46 HD1 HIS 46 -7.336 7.165 -6.646
54 HD2 HIS 46 HD2 HIS 46 -3.539 6.414 -5.452
55 HE1 HIS 46 HE1 HIS 46 -6.473 9.323 -5.960
56 HA PRO 47 HA PRO 47 -2.607 6.083 -10.536
57 1HB PRO 47 2HB PRO 47 -2.634 8.874 -9.496
58 2HB PRO 47 1HB PRO 47 -2.769 8.317 -11.170
59 1HG PRO 47 2HG PRO 47 -4.907 9.307 -9.501
60 2HG PRO 47 1HG PRO 47 -5.063 8.621 -11.125
61 1HD PRO 47 1HD PRO 47 -5.882 7.411 -8.620
62 2HD PRO 47 2HD PRO 47 -6.018 6.716 -10.242
63 H GLY 48 H GLY 48 -0.945 5.146 -9.542
64 1HA GLY 48 2HA GLY 48 1.027 5.192 -8.194
65 2HA GLY 48 1HA GLY 48 0.344 6.527 -7.267
66 H CYS 49 H CYS 49 -0.818 3.235 -8.019
67 HA CYS 49 HA CYS 49 -0.679 2.538 -5.132
68 1HB CYS 49 2HB CYS 49 -2.899 3.557 -5.403
69 2HB CYS 49 1HB CYS 49 -3.223 2.578 -6.808
70 H ASP 50 H ASP 50 -1.026 0.300 -4.725
71 HA ASP 50 HA ASP 50 -1.274 -1.566 -6.966
72 1HB ASP 50 2HB ASP 50 1.016 -2.595 -6.476
73 2HB ASP 50 1HB ASP 50 1.113 -0.984 -7.183
74 H LYS 51 H LYS 51 -2.274 -0.841 -4.172
75 HA LYS 51 HA LYS 51 -1.663 -3.222 -2.582
76 1HB LYS 51 2HB LYS 51 -3.811 -1.092 -2.212
77 2HB LYS 51 1HB LYS 51 -3.277 -2.234 -0.988
78 1HG LYS 51 2HG LYS 51 -1.473 -0.164 -2.317
79 2HG LYS 51 1HG LYS 51 -2.216 0.035 -0.740
80 1HD LYS 51 2HD LYS 51 -0.330 -0.947 0.118
81 2HD LYS 51 1HD LYS 51 -1.004 -2.463 -0.462
82 1HE LYS 51 2HE LYS 51 1.123 -2.477 -1.453
83 2HE LYS 51 1HE LYS 51 0.156 -1.776 -2.740
84 1HZ LYS 51 1HZ LYS 51 1.488 -0.084 -0.726
85 2HZ LYS 51 3HZ LYS 51 2.303 -0.616 -2.117
86 3HZ LYS 51 2HZ LYS 51 0.914 0.350 -2.264
87 H ALA 52 H ALA 52 -2.387 -5.007 -3.713
88 HA ALA 52 HA ALA 52 -5.012 -5.136 -4.925
89 1HB ALA 52 1HB ALA 52 -3.000 -7.270 -4.058
90 2HB ALA 52 3HB ALA 52 -4.500 -7.659 -4.895
91 3HB ALA 52 2HB ALA 52 -3.277 -6.676 -5.692
92 H PHE 53 H PHE 53 -6.727 -6.593 -4.221
93 HA PHE 53 HA PHE 53 -6.792 -7.203 -1.308
94 1HB PHE 53 2HB PHE 53 -8.705 -5.313 -2.743
95 2HB PHE 53 1HB PHE 53 -9.068 -6.016 -1.183
96 HD1 PHE 53 HD2 PHE 53 -7.203 -5.677 0.664
97 HD2 PHE 53 HD1 PHE 53 -7.485 -3.301 -2.864
98 HE1 PHE 53 HE2 PHE 53 -5.862 -3.917 1.732
99 HE2 PHE 53 HE1 PHE 53 -6.143 -1.551 -1.789
100 HZ PHE 53 HZ PHE 53 -5.332 -1.855 0.506
101 H VAL 54 H VAL 54 -8.229 -8.770 -0.742
102 HA VAL 54 HA VAL 54 -9.518 -10.235 -3.024
103 HB VAL 54 HB VAL 54 -9.579 -12.084 -1.108
104 1HG1 VAL 54 3HG1 VAL 54 -7.044 -11.080 -2.442
105 2HG1 VAL 54 2HG1 VAL 54 -7.135 -12.618 -1.589
106 3HG1 VAL 54 1HG1 VAL 54 -8.126 -12.345 -3.019
107 1HG2 VAL 54 1HG2 VAL 54 -8.946 -10.292 0.624
108 2HG2 VAL 54 3HG2 VAL 54 -8.017 -11.786 0.682
109 3HG2 VAL 54 2HG2 VAL 54 -7.326 -10.348 -0.062
110 H ARG 55 H ARG 55 -10.064 -8.848 0.161
111 HA ARG 55 HA ARG 55 -12.867 -9.735 0.242
112 1HB ARG 55 2HB ARG 55 -11.173 -7.872 1.978
113 2HB ARG 55 1HB ARG 55 -12.868 -8.207 2.315
114 1HG ARG 55 2HG ARG 55 -12.448 -10.518 2.720
115 2HG ARG 55 1HG ARG 55 -10.866 -10.452 1.953
116 1HD ARG 55 2HD ARG 55 -10.097 -8.908 3.783
117 2HD ARG 55 1HD ARG 55 -11.651 -9.142 4.579
118 HE ARG 55 HE ARG 55 -10.860 -11.233 5.321
119 1HH1 ARG 55 HH2 ARG 55 -10.449 -13.091 3.523
120 2HH1 ARG 55 HH2 ARG 55 -8.773 -13.130 3.086
121 1HH2 ARG 55 HH1 ARG 55 -8.153 -9.934 4.383
122 2HH2 ARG 55 HH1 ARG 55 -7.439 -11.296 3.586
123 H ASN 56 H ASN 56 -14.490 -7.870 0.849
124 HA ASN 56 HA ASN 56 -14.353 -5.934 -1.418
125 1HB ASN 56 2HB ASN 56 -16.414 -7.361 -1.042
126 2HB ASN 56 1HB ASN 56 -16.651 -6.558 0.508
127 1HD2 ASN 56 HD2 ASN 56 -16.812 -3.912 -2.607
128 2HD2 ASN 56 HD2 ASN 56 -15.450 -4.903 -2.403
129 H HIS 57 H HIS 57 -15.634 -5.701 1.910
130 HA HIS 57 HA HIS 57 -15.643 -2.954 2.164
131 1HB HIS 57 2HB HIS 57 -15.552 -3.288 4.561
132 2HB HIS 57 1HB HIS 57 -16.280 -4.758 3.922
133 HD1 HIS 57 HD1 HIS 57 -15.115 -6.772 4.671
134 HD2 HIS 57 HD2 HIS 57 -12.599 -3.604 4.911
135 HE1 HIS 57 HE1 HIS 57 -13.101 -7.665 5.678
136 H ASP 58 H ASP 58 -12.818 -5.006 2.121
137 HA ASP 58 HA ASP 58 -10.950 -3.187 3.243
138 1HB ASP 58 2HB ASP 58 -10.596 -5.656 2.471
139 2HB ASP 58 1HB ASP 58 -10.351 -4.997 0.856
140 H LEU 59 H LEU 59 -12.082 -3.585 -0.093
141 HA LEU 59 HA LEU 59 -10.431 -1.544 -1.230
142 1HB LEU 59 2HB LEU 59 -12.278 -3.405 -2.184
143 2HB LEU 59 1HB LEU 59 -13.208 -1.927 -2.370
144 HG LEU 59 HG LEU 59 -11.937 -2.443 -4.429
145 1HD1 LEU 59 HD1 LEU 59 -12.346 -0.063 -3.697
146 2HD1 LEU 59 HD1 LEU 59 -10.729 -0.043 -3.004
147 3HD1 LEU 59 HD1 LEU 59 -10.940 -0.247 -4.739
148 1HD2 LEU 59 HD2 LEU 59 -9.897 -3.317 -2.699
149 2HD2 LEU 59 HD2 LEU 59 -9.720 -3.099 -4.437
150 3HD2 LEU 59 HD2 LEU 59 -9.243 -1.815 -3.333
151 H ILE 60 H ILE 60 -13.469 -1.453 0.498
152 HA ILE 60 HA ILE 60 -14.098 1.272 -0.186
153 HB ILE 60 HB ILE 60 -14.917 -0.273 2.319
154 1HG1 ILE 60 2HG1 ILE 60 -16.197 -0.246 -0.442
155 2HG1 ILE 60 1HG1 ILE 60 -15.359 -1.610 0.285
156 1HG2 ILE 60 2HG2 ILE 60 -15.437 2.233 2.129
157 2HG2 ILE 60 1HG2 ILE 60 -16.384 1.871 0.688
158 3HG2 ILE 60 3HG2 ILE 60 -16.873 1.223 2.250
159 1HD1 ILE 60 HD1 ILE 60 -17.119 -1.167 2.279
160 2HD1 ILE 60 HD1 ILE 60 -18.050 -0.454 0.964
161 3HD1 ILE 60 HD1 ILE 60 -17.557 -2.142 0.876
162 H ARG 61 H ARG 61 -12.740 -0.214 2.729
163 HA ARG 61 HA ARG 61 -12.174 2.325 3.969
164 1HB ARG 61 2HB ARG 61 -11.830 -0.547 4.569
165 2HB ARG 61 1HB ARG 61 -10.361 0.313 5.012
166 1HG ARG 61 2HG ARG 61 -13.103 1.302 5.855
167 2HG ARG 61 1HG ARG 61 -12.199 0.140 6.817
168 1HD ARG 61 2HD ARG 61 -10.445 1.677 7.247
169 2HD ARG 61 1HD ARG 61 -10.914 2.724 5.909
170 HE ARG 61 HE ARG 61 -12.338 3.816 7.420
171 1HH1 ARG 61 HH2 ARG 61 -11.284 0.825 8.646
172 2HH1 ARG 61 HH2 ARG 61 -12.420 0.773 9.953
173 1HH2 ARG 61 HH1 ARG 61 -14.039 3.708 8.923
174 2HH2 ARG 61 HH1 ARG 61 -14.021 2.450 10.113
175 H HIS 62 H HIS 62 -10.497 0.294 1.698
176 HA HIS 62 HA HIS 62 -7.930 1.604 2.044
177 1HB HIS 62 2HB HIS 62 -7.842 -0.644 1.169
178 2HB HIS 62 1HB HIS 62 -9.070 -0.285 -0.019
179 HD1 HIS 62 HD1 HIS 62 -5.520 0.169 0.541
180 HD2 HIS 62 HD2 HIS 62 -8.235 1.086 -2.334
181 HE1 HIS 62 HE1 HIS 62 -4.195 1.001 -1.307
182 H LYS 63 H LYS 63 -10.590 1.824 -0.290
183 HA LYS 63 HA LYS 63 -9.301 3.753 -1.966
184 1HB LYS 63 2HB LYS 63 -11.266 2.479 -2.737
185 2HB LYS 63 1HB LYS 63 -12.255 3.170 -1.458
186 1HG LYS 63 2HG LYS 63 -12.178 5.351 -2.431
187 2HG LYS 63 1HG LYS 63 -10.853 4.909 -3.500
188 1HD LYS 63 2HD LYS 63 -12.938 4.947 -4.783
189 2HD LYS 63 1HD LYS 63 -12.372 3.287 -4.653
190 1HE LYS 63 2HE LYS 63 -14.315 4.408 -2.626
191 2HE LYS 63 1HE LYS 63 -14.888 3.771 -4.163
192 1HZ LYS 63 2HZ LYS 63 -13.173 1.864 -3.293
193 2HZ LYS 63 1HZ LYS 63 -13.921 2.378 -1.859
194 3HZ LYS 63 3HZ LYS 63 -14.864 1.814 -3.154
195 H LYS 64 H LYS 64 -11.261 4.037 0.932
196 HA LYS 64 HA LYS 64 -11.737 6.848 0.765
197 1HB LYS 64 2HB LYS 64 -12.697 5.029 2.420
198 2HB LYS 64 1HB LYS 64 -11.271 5.370 3.392
199 1HG LYS 64 2HG LYS 64 -11.917 7.836 3.266
200 2HG LYS 64 1HG LYS 64 -13.435 7.329 2.544
201 1HD LYS 64 2HD LYS 64 -12.495 6.175 5.185
202 2HD LYS 64 1HD LYS 64 -13.386 7.687 5.120
203 1HE LYS 64 2HE LYS 64 -14.332 4.996 4.076
204 2HE LYS 64 1HE LYS 64 -14.962 5.858 5.472
205 1HZ LYS 64 2HZ LYS 64 -15.534 7.696 3.903
206 2HZ LYS 64 1HZ LYS 64 -15.164 6.640 2.626
207 3HZ LYS 64 3HZ LYS 64 -16.426 6.266 3.699
208 H SER 65 H SER 65 -8.857 5.167 1.098
209 HA SER 65 HA SER 65 -7.488 7.217 2.736
210 1HB SER 65 2HB SER 65 -6.955 4.678 2.779
211 2HB SER 65 1HB SER 65 -6.204 4.909 1.189
212 HG SER 65 HG SER 65 -5.171 5.474 3.544
213 H HIS 66 H HIS 66 -8.114 6.574 -0.583
214 HA HIS 66 HA HIS 66 -5.781 8.011 -1.601
215 1HB HIS 66 2HB HIS 66 -8.358 6.918 -2.811
216 2HB HIS 66 1HB HIS 66 -7.305 7.954 -3.770
217 HD1 HIS 66 HD1 HIS 66 -4.656 6.927 -3.091
218 HD2 HIS 66 HD2 HIS 66 -7.751 4.364 -3.570
219 HE1 HIS 66 HE1 HIS 66 -3.624 4.792 -3.572
220 H GLN 67 H GLN 67 -7.658 9.306 0.347
221 HA GLN 67 HA GLN 67 -8.133 11.813 -1.249
222 1HB GLN 67 2HB GLN 67 -9.961 10.491 0.822
223 2HB GLN 67 1HB GLN 67 -10.190 12.137 0.241
224 1HG GLN 67 2HG GLN 67 -10.194 11.135 -2.131
225 2HG GLN 67 1HG GLN 67 -10.351 9.563 -1.350
226 1HE2 GLN 67 1HE2 GLN 67 -12.137 9.868 0.639
227 2HE2 GLN 67 2HE2 GLN 67 -13.609 10.510 0.087
228 H GLU 68 H GLU 68 -5.855 11.816 -0.070
229 HA GLU 68 HA GLU 68 -6.118 13.800 2.021
230 1HB GLU 68 2HB GLU 68 -4.969 12.448 3.811
231 2HB GLU 68 1HB GLU 68 -6.527 11.757 3.377
232 1HG GLU 68 2HG GLU 68 -5.323 9.786 3.163
233 2HG GLU 68 1HG GLU 68 -4.895 10.431 1.580
234 H LYS 69 H LYS 69 -4.380 15.080 1.980
235 HA LYS 69 HA LYS 69 -2.299 14.646 0.070
236 1HB LYS 69 2HB LYS 69 -3.221 16.844 1.384
237 2HB LYS 69 1HB LYS 69 -1.850 16.503 2.433
238 1HG LYS 69 2HG LYS 69 -0.482 16.338 0.206
239 2HG LYS 69 1HG LYS 69 -1.850 17.167 -0.524
240 1HD LYS 69 2HD LYS 69 -1.616 18.924 1.310
241 2HD LYS 69 1HD LYS 69 -0.089 18.158 1.736
242 1HE LYS 69 2HE LYS 69 0.244 20.054 0.163
243 2HE LYS 69 1HE LYS 69 0.757 18.528 -0.543
244 1HZ LYS 69 2HZ LYS 69 -1.994 19.461 -0.971
245 2HZ LYS 69 1HZ LYS 69 -0.731 20.136 -1.885
246 3HZ LYS 69 3HZ LYS 69 -1.028 18.465 -1.950
247 H ALA 70 H ALA 70 -0.073 15.553 1.753
248 HA ALA 70 HA ALA 70 1.061 12.992 2.345
249 1HB ALA 70 2HB ALA 70 2.319 15.167 1.811
250 2HB ALA 70 1HB ALA 70 1.953 15.701 3.450
251 3HB ALA 70 3HB ALA 70 2.962 14.281 3.191
No H/Q in entry = 251
Start of MODEL 6
1 1H ASP 39 3H ASP 39 -8.236 -12.885 -10.991
2 2H ASP 39 2H ASP 39 -6.653 -13.025 -10.393
3 3H ASP 39 1H ASP 39 -7.562 -14.422 -10.723
4 HA ASP 39 HA ASP 39 -9.138 -13.847 -8.996
5 1HB ASP 39 2HB ASP 39 -6.860 -15.134 -8.604
6 2HB ASP 39 1HB ASP 39 -6.344 -13.662 -7.788
7 H ARG 40 H ARG 40 -8.070 -12.611 -6.588
8 HA ARG 40 HA ARG 40 -8.391 -10.527 -5.541
9 1HB ARG 40 2HB ARG 40 -6.516 -10.012 -7.884
10 2HB ARG 40 1HB ARG 40 -7.010 -8.669 -6.863
11 1HG ARG 40 2HG ARG 40 -4.975 -9.472 -5.896
12 2HG ARG 40 1HG ARG 40 -6.245 -10.080 -4.853
13 1HD ARG 40 2HD ARG 40 -5.180 -11.737 -7.151
14 2HD ARG 40 1HD ARG 40 -4.405 -11.751 -5.574
15 HE ARG 40 HE ARG 40 -6.940 -13.006 -6.226
16 1HH1 ARG 40 HH2 ARG 40 -4.550 -12.427 -3.935
17 2HH1 ARG 40 HH2 ARG 40 -5.529 -12.793 -2.556
18 1HH2 ARG 40 HH1 ARG 40 -8.460 -13.085 -4.451
19 2HH2 ARG 40 HH1 ARG 40 -7.796 -13.177 -2.855
20 HA PRO 41 HA PRO 41 -11.742 -9.431 -8.583
21 1HB PRO 41 2HB PRO 41 -13.551 -9.413 -6.243
22 2HB PRO 41 1HB PRO 41 -13.632 -10.439 -7.681
23 1HG PRO 41 2HG PRO 41 -12.840 -11.264 -5.051
24 2HG PRO 41 1HG PRO 41 -12.699 -12.220 -6.532
25 1HD PRO 41 1HD PRO 41 -10.569 -10.878 -5.010
26 2HD PRO 41 2HD PRO 41 -10.402 -12.038 -6.343
27 H TYR 42 H TYR 42 -10.272 -8.102 -5.844
28 HA TYR 42 HA TYR 42 -11.530 -5.421 -6.405
29 1HB TYR 42 2HB TYR 42 -10.651 -6.631 -3.720
30 2HB TYR 42 1HB TYR 42 -11.086 -4.936 -3.941
31 HD1 TYR 42 HD1 TYR 42 -13.404 -4.337 -4.710
32 HD2 TYR 42 HD2 TYR 42 -12.376 -8.308 -3.589
33 HE1 TYR 42 HE1 TYR 42 -15.781 -4.889 -4.492
34 HE2 TYR 42 HE2 TYR 42 -14.754 -8.861 -3.369
35 HH TYR 42 HH TYR 42 -17.217 -6.926 -4.581
36 H SER 43 H SER 43 -9.713 -5.290 -7.906
37 HA SER 43 HA SER 43 -7.089 -4.715 -6.548
38 1HB SER 43 2HB SER 43 -7.582 -4.865 -9.566
39 2HB SER 43 1HB SER 43 -6.064 -5.132 -8.687
40 HG SER 43 HG SER 43 -6.840 -7.143 -8.983
41 H CYS 44 H CYS 44 -7.950 -2.678 -5.742
42 HA CYS 44 HA CYS 44 -9.049 -0.576 -7.174
43 1HB CYS 44 2HB CYS 44 -8.617 -0.327 -4.828
44 2HB CYS 44 1HB CYS 44 -6.915 -0.642 -5.025
45 H ASP 45 H ASP 45 -8.404 0.882 -8.648
46 HA ASP 45 HA ASP 45 -5.554 0.729 -9.626
47 1HB ASP 45 2HB ASP 45 -8.050 1.390 -11.273
48 2HB ASP 45 1HB ASP 45 -6.430 1.074 -11.886
49 H HIS 46 H HIS 46 -6.177 2.498 -7.631
50 HA HIS 46 HA HIS 46 -7.000 5.053 -8.669
51 1HB HIS 46 2HB HIS 46 -7.268 4.746 -6.296
52 2HB HIS 46 1HB HIS 46 -5.663 4.055 -6.116
53 HD1 HIS 46 HD1 HIS 46 -7.350 7.262 -6.206
54 HD2 HIS 46 HD2 HIS 46 -3.530 5.929 -6.021
55 HE1 HIS 46 HE1 HIS 46 -6.049 9.213 -5.599
56 HA PRO 47 HA PRO 47 -3.318 6.337 -10.770
57 1HB PRO 47 2HB PRO 47 -3.308 8.994 -9.425
58 2HB PRO 47 1HB PRO 47 -3.595 8.619 -11.130
59 1HG PRO 47 2HG PRO 47 -5.579 9.322 -9.140
60 2HG PRO 47 1HG PRO 47 -5.877 8.862 -10.822
61 1HD PRO 47 1HD PRO 47 -6.464 7.302 -8.467
62 2HD PRO 47 2HD PRO 47 -6.665 6.799 -10.152
63 H GLY 48 H GLY 48 -1.753 5.084 -9.840
64 1HA GLY 48 2HA GLY 48 0.380 4.995 -8.745
65 2HA GLY 48 1HA GLY 48 -0.079 6.388 -7.770
66 H CYS 49 H CYS 49 -1.205 3.025 -8.300
67 HA CYS 49 HA CYS 49 -1.148 2.636 -5.327
68 1HB CYS 49 2HB CYS 49 -3.472 3.195 -5.988
69 2HB CYS 49 1HB CYS 49 -3.445 1.951 -7.207
70 H ASP 50 H ASP 50 -1.275 0.398 -4.704
71 HA ASP 50 HA ASP 50 -0.896 -1.688 -6.695
72 1HB ASP 50 2HB ASP 50 1.469 -2.219 -5.869
73 2HB ASP 50 1HB ASP 50 1.358 -0.716 -6.782
74 H LYS 51 H LYS 51 -2.317 -0.903 -4.099
75 HA LYS 51 HA LYS 51 -1.482 -3.141 -2.330
76 1HB LYS 51 2HB LYS 51 -2.135 -0.711 -1.563
77 2HB LYS 51 1HB LYS 51 -3.794 -1.214 -1.849
78 1HG LYS 51 2HG LYS 51 -3.650 -2.961 -0.204
79 2HG LYS 51 1HG LYS 51 -1.901 -2.810 -0.093
80 1HD LYS 51 2HD LYS 51 -2.204 -0.471 0.767
81 2HD LYS 51 1HD LYS 51 -3.943 -0.743 0.779
82 1HE LYS 51 2HE LYS 51 -1.903 -2.400 2.301
83 2HE LYS 51 1HE LYS 51 -2.938 -1.168 3.011
84 1HZ LYS 51 3HZ LYS 51 -4.515 -2.960 1.530
85 2HZ LYS 51 2HZ LYS 51 -3.523 -3.847 2.584
86 3HZ LYS 51 1HZ LYS 51 -4.549 -2.640 3.197
87 H ALA 52 H ALA 52 -2.173 -4.846 -3.711
88 HA ALA 52 HA ALA 52 -4.815 -5.112 -4.744
89 1HB ALA 52 3HB ALA 52 -2.712 -7.156 -3.904
90 2HB ALA 52 2HB ALA 52 -4.224 -7.623 -4.673
91 3HB ALA 52 1HB ALA 52 -3.074 -6.608 -5.537
92 H PHE 53 H PHE 53 -6.425 -6.681 -4.029
93 HA PHE 53 HA PHE 53 -6.507 -7.163 -1.083
94 1HB PHE 53 2HB PHE 53 -8.442 -5.485 -2.719
95 2HB PHE 53 1HB PHE 53 -8.991 -6.266 -1.250
96 HD1 PHE 53 HD1 PHE 53 -7.805 -5.712 0.927
97 HD2 PHE 53 HD2 PHE 53 -7.064 -3.528 -2.657
98 HE1 PHE 53 HE1 PHE 53 -6.831 -3.876 2.239
99 HE2 PHE 53 HE2 PHE 53 -6.086 -1.704 -1.339
100 HZ PHE 53 HZ PHE 53 -5.972 -1.874 1.105
101 H VAL 54 H VAL 54 -8.780 -8.253 -0.641
102 HA VAL 54 HA VAL 54 -9.368 -10.226 -2.830
103 HB VAL 54 HB VAL 54 -8.986 -10.889 0.144
104 1HG1 VAL 54 1HG1 VAL 54 -9.506 -12.578 -2.326
105 2HG1 VAL 54 3HG1 VAL 54 -9.019 -13.251 -0.773
106 3HG1 VAL 54 2HG1 VAL 54 -10.557 -12.403 -0.923
107 1HG2 VAL 54 3HG2 VAL 54 -7.175 -11.253 -2.262
108 2HG2 VAL 54 2HG2 VAL 54 -6.815 -10.388 -0.772
109 3HG2 VAL 54 1HG2 VAL 54 -6.954 -12.142 -0.758
110 H ARG 55 H ARG 55 -10.341 -8.681 0.195
111 HA ARG 55 HA ARG 55 -13.123 -9.655 -0.108
112 1HB ARG 55 2HB ARG 55 -11.820 -7.771 1.926
113 2HB ARG 55 1HB ARG 55 -13.464 -8.391 2.037
114 1HG ARG 55 2HG ARG 55 -12.422 -10.739 1.917
115 2HG ARG 55 1HG ARG 55 -10.873 -9.952 2.199
116 1HD ARG 55 2HD ARG 55 -11.668 -10.569 4.371
117 2HD ARG 55 1HD ARG 55 -11.990 -8.842 4.239
118 HE ARG 55 HE ARG 55 -14.296 -9.337 4.305
119 1HH1 ARG 55 HH2 ARG 55 -15.319 -10.786 2.370
120 2HH1 ARG 55 HH2 ARG 55 -15.389 -12.448 2.854
121 1HH2 ARG 55 HH1 ARG 55 -13.081 -11.996 5.454
122 2HH2 ARG 55 HH1 ARG 55 -14.089 -13.151 4.647
123 H ASN 56 H ASN 56 -14.703 -7.665 0.618
124 HA ASN 56 HA ASN 56 -14.414 -5.715 -1.633
125 1HB ASN 56 2HB ASN 56 -16.548 -7.009 -1.442
126 2HB ASN 56 1HB ASN 56 -16.790 -6.380 0.185
127 1HD2 ASN 56 HD2 ASN 56 -16.791 -3.396 -2.617
128 2HD2 ASN 56 HD2 ASN 56 -15.474 -4.461 -2.507
129 H HIS 57 H HIS 57 -15.688 -5.593 1.702
130 HA HIS 57 HA HIS 57 -15.702 -2.858 2.096
131 1HB HIS 57 2HB HIS 57 -14.575 -4.842 4.136
132 2HB HIS 57 1HB HIS 57 -15.413 -3.332 4.482
133 HD1 HIS 57 HD1 HIS 57 -16.094 -6.729 3.311
134 HD2 HIS 57 HD2 HIS 57 -18.212 -3.408 4.274
135 HE1 HIS 57 HE1 HIS 57 -18.399 -7.471 3.393
136 H ASP 58 H ASP 58 -12.850 -4.971 2.456
137 HA ASP 58 HA ASP 58 -11.006 -3.078 3.362
138 1HB ASP 58 2HB ASP 58 -10.505 -5.164 1.175
139 2HB ASP 58 1HB ASP 58 -9.286 -4.454 2.229
140 H LEU 59 H LEU 59 -12.016 -3.692 0.012
141 HA LEU 59 HA LEU 59 -10.317 -1.703 -1.171
142 1HB LEU 59 2HB LEU 59 -11.982 -3.663 -2.143
143 2HB LEU 59 1HB LEU 59 -13.048 -2.286 -2.369
144 HG LEU 59 HG LEU 59 -11.724 -2.675 -4.401
145 1HD1 LEU 59 HD1 LEU 59 -12.292 -0.325 -3.591
146 2HD1 LEU 59 HD1 LEU 59 -10.635 -0.202 -3.017
147 3HD1 LEU 59 HD1 LEU 59 -10.956 -0.423 -4.731
148 1HD2 LEU 59 HD2 LEU 59 -9.679 -3.511 -2.749
149 2HD2 LEU 59 HD2 LEU 59 -9.438 -3.070 -4.435
150 3HD2 LEU 59 HD2 LEU 59 -9.103 -1.903 -3.161
151 H ILE 60 H ILE 60 -13.599 -1.592 0.141
152 HA ILE 60 HA ILE 60 -14.142 1.095 -0.666
153 HB ILE 60 HB ILE 60 -15.207 -0.302 1.826
154 1HG1 ILE 60 2HG1 ILE 60 -16.058 -0.599 -1.078
155 2HG1 ILE 60 1HG1 ILE 60 -15.394 -1.858 -0.044
156 1HG2 ILE 60 1HG2 ILE 60 -15.738 2.188 1.248
157 2HG2 ILE 60 3HG2 ILE 60 -16.624 1.566 -0.141
158 3HG2 ILE 60 2HG2 ILE 60 -17.132 1.141 1.491
159 1HD1 ILE 60 HD1 ILE 60 -17.401 -1.329 1.535
160 2HD1 ILE 60 HD1 ILE 60 -18.094 -0.509 0.138
161 3HD1 ILE 60 HD1 ILE 60 -17.733 -2.230 0.059
162 H ARG 61 H ARG 61 -12.827 -0.248 2.330
163 HA ARG 61 HA ARG 61 -12.556 2.387 3.537
164 1HB ARG 61 2HB ARG 61 -12.711 -0.045 4.655
165 2HB ARG 61 1HB ARG 61 -10.964 -0.055 4.436
166 1HG ARG 61 2HG ARG 61 -10.767 2.042 5.712
167 2HG ARG 61 1HG ARG 61 -12.516 2.140 5.866
168 1HD ARG 61 2HD ARG 61 -11.910 1.163 7.914
169 2HD ARG 61 1HD ARG 61 -12.281 -0.263 6.947
170 HE ARG 61 HE ARG 61 -9.573 0.162 6.505
171 1HH1 ARG 61 HH2 ARG 61 -11.678 -1.191 8.730
172 2HH1 ARG 61 HH2 ARG 61 -10.496 -1.471 9.965
173 1HH2 ARG 61 HH1 ARG 61 -7.994 0.286 8.249
174 2HH2 ARG 61 HH1 ARG 61 -8.356 -0.612 9.685
175 H HIS 62 H HIS 62 -10.645 0.336 1.501
176 HA HIS 62 HA HIS 62 -8.134 1.690 2.051
177 1HB HIS 62 2HB HIS 62 -7.905 -0.558 1.241
178 2HB HIS 62 1HB HIS 62 -9.087 -0.295 -0.012
179 HD1 HIS 62 HD1 HIS 62 -5.573 0.225 0.642
180 HD2 HIS 62 HD2 HIS 62 -8.207 1.031 -2.328
181 HE1 HIS 62 HE1 HIS 62 -4.193 0.983 -1.203
182 H LYS 63 H LYS 63 -10.773 2.055 -0.239
183 HA LYS 63 HA LYS 63 -9.320 3.872 -1.969
184 1HB LYS 63 2HB LYS 63 -11.270 3.811 -3.273
185 2HB LYS 63 1HB LYS 63 -11.663 2.441 -2.259
186 1HG LYS 63 2HG LYS 63 -12.905 4.016 -0.715
187 2HG LYS 63 1HG LYS 63 -12.623 5.303 -1.883
188 1HD LYS 63 2HD LYS 63 -13.691 3.757 -3.630
189 2HD LYS 63 1HD LYS 63 -14.226 2.768 -2.281
190 1HE LYS 63 2HE LYS 63 -15.012 5.590 -2.974
191 2HE LYS 63 1HE LYS 63 -16.049 4.219 -2.603
192 1HZ LYS 63 2HZ LYS 63 -15.225 4.303 -0.312
193 2HZ LYS 63 1HZ LYS 63 -14.326 5.693 -0.695
194 3HZ LYS 63 3HZ LYS 63 -16.023 5.730 -0.769
195 H LYS 64 H LYS 64 -11.154 4.189 0.953
196 HA LYS 64 HA LYS 64 -11.466 7.090 0.722
197 1HB LYS 64 2HB LYS 64 -12.880 5.292 2.097
198 2HB LYS 64 1HB LYS 64 -11.658 5.535 3.337
199 1HG LYS 64 2HG LYS 64 -12.103 8.002 3.235
200 2HG LYS 64 1HG LYS 64 -13.389 7.701 2.074
201 1HD LYS 64 2HD LYS 64 -13.419 6.223 4.717
202 2HD LYS 64 1HD LYS 64 -13.953 7.899 4.668
203 1HE LYS 64 2HE LYS 64 -15.724 7.413 3.156
204 2HE LYS 64 1HE LYS 64 -15.039 5.855 2.719
205 1HZ LYS 64 2HZ LYS 64 -15.750 6.313 5.517
206 2HZ LYS 64 1HZ LYS 64 -17.003 6.043 4.404
207 3HZ LYS 64 3HZ LYS 64 -15.785 4.878 4.609
208 H SER 65 H SER 65 -8.766 5.484 0.875
209 HA SER 65 HA SER 65 -7.494 7.179 3.019
210 1HB SER 65 2HB SER 65 -6.672 4.506 1.757
211 2HB SER 65 1HB SER 65 -5.634 5.422 2.866
212 HG SER 65 HG SER 65 -7.192 3.819 3.796
213 H HIS 66 H HIS 66 -7.520 6.387 -0.368
214 HA HIS 66 HA HIS 66 -4.954 7.338 -1.112
215 1HB HIS 66 2HB HIS 66 -7.641 7.038 -2.481
216 2HB HIS 66 1HB HIS 66 -6.450 8.043 -3.303
217 HD1 HIS 66 HD1 HIS 66 -4.053 6.697 -3.379
218 HD2 HIS 66 HD2 HIS 66 -7.374 4.390 -3.121
219 HE1 HIS 66 HE1 HIS 66 -3.327 4.494 -4.062
220 H GLN 67 H GLN 67 -7.310 9.033 0.476
221 HA GLN 67 HA GLN 67 -7.284 11.569 -0.816
222 1HB GLN 67 2HB GLN 67 -7.643 10.685 2.080
223 2HB GLN 67 1HB GLN 67 -7.708 12.390 1.644
224 1HG GLN 67 2HG GLN 67 -9.395 10.293 0.250
225 2HG GLN 67 1HG GLN 67 -9.958 11.170 1.671
226 1HE2 GLN 67 2HE2 GLN 67 -11.117 13.138 -1.232
227 2HE2 GLN 67 1HE2 GLN 67 -11.463 11.630 -0.535
228 H GLU 68 H GLU 68 -5.051 10.069 1.452
229 HA GLU 68 HA GLU 68 -2.959 10.772 2.246
230 1HB GLU 68 2HB GLU 68 -3.025 12.047 -0.535
231 2HB GLU 68 1HB GLU 68 -1.570 11.893 0.441
232 1HG GLU 68 2HG GLU 68 -1.916 9.414 0.502
233 2HG GLU 68 1HG GLU 68 -3.302 9.610 -0.568
234 H LYS 69 H LYS 69 -3.321 12.141 3.923
235 HA LYS 69 HA LYS 69 -2.817 14.974 3.437
236 1HB LYS 69 2HB LYS 69 -4.968 15.750 4.480
237 2HB LYS 69 1HB LYS 69 -5.266 14.856 2.996
238 1HG LYS 69 2HG LYS 69 -6.765 13.645 4.281
239 2HG LYS 69 1HG LYS 69 -5.332 12.790 4.839
240 1HD LYS 69 2HD LYS 69 -6.314 13.430 6.876
241 2HD LYS 69 1HD LYS 69 -5.183 14.748 6.615
242 1HE LYS 69 2HE LYS 69 -7.039 16.050 5.520
243 2HE LYS 69 1HE LYS 69 -8.148 14.758 5.960
244 1HZ LYS 69 3HZ LYS 69 -7.386 15.122 8.308
245 2HZ LYS 69 2HZ LYS 69 -6.630 16.542 7.765
246 3HZ LYS 69 1HZ LYS 69 -8.314 16.373 7.630
247 H ALA 70 H ALA 70 -1.788 15.823 5.127
248 HA ALA 70 HA ALA 70 -2.344 15.191 7.867
249 1HB ALA 70 2HB ALA 70 -0.009 13.762 6.513
250 2HB ALA 70 1HB ALA 70 -0.096 13.974 8.258
251 3HB ALA 70 3HB ALA 70 -1.325 13.028 7.424
No H/Q in entry = 251
Start of MODEL 7
1 1H ASP 39 1H ASP 39 -9.329 -16.147 -3.573
2 2H ASP 39 3H ASP 39 -9.201 -17.307 -4.807
3 3H ASP 39 2H ASP 39 -7.803 -16.732 -4.033
4 HA ASP 39 HA ASP 39 -7.732 -15.549 -5.964
5 1HB ASP 39 2HB ASP 39 -10.764 -15.199 -5.693
6 2HB ASP 39 1HB ASP 39 -9.783 -14.622 -7.038
7 H ARG 40 H ARG 40 -7.403 -13.328 -6.157
8 HA ARG 40 HA ARG 40 -8.465 -11.595 -3.959
9 1HB ARG 40 2HB ARG 40 -5.521 -11.685 -4.805
10 2HB ARG 40 1HB ARG 40 -6.208 -10.743 -3.489
11 1HG ARG 40 2HG ARG 40 -5.483 -12.542 -2.210
12 2HG ARG 40 1HG ARG 40 -7.029 -13.225 -2.695
13 1HD ARG 40 2HD ARG 40 -5.153 -14.824 -3.079
14 2HD ARG 40 1HD ARG 40 -5.932 -14.380 -4.594
15 HE ARG 40 HE ARG 40 -3.618 -12.710 -3.891
16 1HH1 ARG 40 HH2 ARG 40 -4.655 -13.317 -6.656
17 2HH1 ARG 40 HH2 ARG 40 -3.444 -14.396 -7.265
18 1HH2 ARG 40 HH1 ARG 40 -2.129 -15.040 -4.080
19 2HH2 ARG 40 HH1 ARG 40 -1.976 -15.397 -5.768
20 HA PRO 41 HA PRO 41 -8.403 -9.617 -8.150
21 1HB PRO 41 2HB PRO 41 -11.186 -8.869 -7.960
22 2HB PRO 41 1HB PRO 41 -10.516 -10.170 -8.942
23 1HG PRO 41 2HG PRO 41 -12.086 -10.391 -6.461
24 2HG PRO 41 1HG PRO 41 -11.596 -11.683 -7.567
25 1HD PRO 41 1HD PRO 41 -10.462 -11.059 -4.968
26 2HD PRO 41 2HD PRO 41 -9.949 -12.337 -6.086
27 H TYR 42 H TYR 42 -10.995 -8.071 -6.342
28 HA TYR 42 HA TYR 42 -10.978 -5.568 -6.286
29 1HB TYR 42 2HB TYR 42 -10.100 -6.995 -3.725
30 2HB TYR 42 1HB TYR 42 -10.524 -5.286 -3.758
31 HD1 TYR 42 HD1 TYR 42 -12.797 -4.604 -4.657
32 HD2 TYR 42 HD2 TYR 42 -11.841 -8.629 -3.682
33 HE1 TYR 42 HE1 TYR 42 -15.182 -5.138 -4.551
34 HE2 TYR 42 HE2 TYR 42 -14.229 -9.167 -3.576
35 HH TYR 42 HH TYR 42 -16.683 -6.869 -4.555
36 H SER 43 H SER 43 -9.093 -5.389 -7.764
37 HA SER 43 HA SER 43 -6.618 -4.482 -6.334
38 1HB SER 43 2HB SER 43 -7.209 -4.991 -9.307
39 2HB SER 43 1HB SER 43 -5.629 -4.510 -8.656
40 HG SER 43 HG SER 43 -5.998 -6.353 -7.149
41 H CYS 44 H CYS 44 -7.572 -2.514 -5.556
42 HA CYS 44 HA CYS 44 -8.927 -0.559 -6.980
43 1HB CYS 44 2HB CYS 44 -8.521 0.012 -4.751
44 2HB CYS 44 1HB CYS 44 -6.865 -0.530 -4.803
45 H ASP 45 H ASP 45 -8.284 1.288 -8.184
46 HA ASP 45 HA ASP 45 -5.561 1.094 -9.460
47 1HB ASP 45 2HB ASP 45 -6.755 1.852 -11.595
48 2HB ASP 45 1HB ASP 45 -7.200 0.230 -11.068
49 H HIS 46 H HIS 46 -5.801 2.757 -7.395
50 HA HIS 46 HA HIS 46 -6.698 5.396 -8.263
51 1HB HIS 46 2HB HIS 46 -6.920 4.999 -5.905
52 2HB HIS 46 1HB HIS 46 -5.355 4.209 -5.802
53 HD1 HIS 46 HD1 HIS 46 -6.836 7.533 -5.774
54 HD2 HIS 46 HD2 HIS 46 -3.134 5.914 -5.540
55 HE1 HIS 46 HE1 HIS 46 -5.414 9.360 -5.061
56 HA PRO 47 HA PRO 47 -3.023 6.620 -10.421
57 1HB PRO 47 2HB PRO 47 -2.857 9.195 -8.927
58 2HB PRO 47 1HB PRO 47 -3.183 8.931 -10.645
59 1HG PRO 47 2HG PRO 47 -5.109 9.619 -8.604
60 2HG PRO 47 1HG PRO 47 -5.452 9.234 -10.296
61 1HD PRO 47 1HD PRO 47 -6.054 7.606 -7.987
62 2HD PRO 47 2HD PRO 47 -6.321 7.186 -9.684
63 H GLY 48 H GLY 48 -1.463 5.283 -9.651
64 1HA GLY 48 2HA GLY 48 0.704 5.059 -8.638
65 2HA GLY 48 1HA GLY 48 0.303 6.362 -7.524
66 H CYS 49 H CYS 49 -0.889 3.086 -8.342
67 HA CYS 49 HA CYS 49 -0.507 2.224 -5.575
68 1HB CYS 49 2HB CYS 49 -2.631 3.464 -5.403
69 2HB CYS 49 1HB CYS 49 -3.296 2.571 -6.743
70 H ASP 50 H ASP 50 -1.022 0.006 -5.243
71 HA ASP 50 HA ASP 50 -1.853 -1.664 -7.482
72 1HB ASP 50 2HB ASP 50 1.068 -1.448 -6.624
73 2HB ASP 50 1HB ASP 50 0.456 -2.920 -7.373
74 H LYS 51 H LYS 51 -2.259 -1.077 -4.541
75 HA LYS 51 HA LYS 51 -1.495 -3.525 -3.170
76 1HB LYS 51 2HB LYS 51 -3.039 -1.030 -2.548
77 2HB LYS 51 1HB LYS 51 -3.370 -2.419 -1.524
78 1HG LYS 51 2HG LYS 51 -1.005 -2.609 -0.938
79 2HG LYS 51 1HG LYS 51 -0.574 -1.340 -2.078
80 1HD LYS 51 2HD LYS 51 -2.599 -0.727 0.085
81 2HD LYS 51 1HD LYS 51 -0.895 -0.776 0.512
82 1HE LYS 51 2HE LYS 51 -1.730 0.813 -1.911
83 2HE LYS 51 1HE LYS 51 -1.980 1.499 -0.309
84 1HZ LYS 51 1HZ LYS 51 0.620 0.426 -1.238
85 2HZ LYS 51 3HZ LYS 51 0.178 2.061 -1.362
86 3HZ LYS 51 2HZ LYS 51 0.316 1.333 0.166
87 H ALA 52 H ALA 52 -2.425 -5.397 -3.661
88 HA ALA 52 HA ALA 52 -5.115 -5.531 -4.812
89 1HB ALA 52 2HB ALA 52 -3.194 -7.106 -5.402
90 2HB ALA 52 1HB ALA 52 -3.337 -7.799 -3.789
91 3HB ALA 52 3HB ALA 52 -4.670 -7.943 -4.930
92 H PHE 53 H PHE 53 -6.722 -7.051 -3.903
93 HA PHE 53 HA PHE 53 -6.652 -7.310 -0.936
94 1HB PHE 53 2HB PHE 53 -8.586 -5.610 -2.547
95 2HB PHE 53 1HB PHE 53 -9.080 -6.270 -0.997
96 HD1 PHE 53 HD1 PHE 53 -7.471 -5.804 1.014
97 HD2 PHE 53 HD2 PHE 53 -7.314 -3.621 -2.644
98 HE1 PHE 53 HE1 PHE 53 -6.253 -3.993 2.139
99 HE2 PHE 53 HE2 PHE 53 -6.098 -1.817 -1.510
100 HZ PHE 53 HZ PHE 53 -5.569 -1.998 0.879
101 H VAL 54 H VAL 54 -8.681 -8.423 -0.152
102 HA VAL 54 HA VAL 54 -9.454 -10.567 -2.118
103 HB VAL 54 HB VAL 54 -9.532 -10.721 0.932
104 1HG1 VAL 54 3HG1 VAL 54 -10.859 -12.357 -0.474
105 2HG1 VAL 54 2HG1 VAL 54 -9.338 -12.894 -1.178
106 3HG1 VAL 54 1HG1 VAL 54 -9.637 -13.113 0.543
107 1HG2 VAL 54 2HG2 VAL 54 -7.301 -11.478 -0.987
108 2HG2 VAL 54 1HG2 VAL 54 -7.219 -10.274 0.297
109 3HG2 VAL 54 3HG2 VAL 54 -7.366 -11.983 0.699
110 H ARG 55 H ARG 55 -10.689 -8.860 0.766
111 HA ARG 55 HA ARG 55 -13.465 -9.487 -0.086
112 1HB ARG 55 2HB ARG 55 -12.573 -7.806 2.304
113 2HB ARG 55 1HB ARG 55 -14.096 -8.667 2.106
114 1HG ARG 55 2HG ARG 55 -12.611 -10.811 1.932
115 2HG ARG 55 1HG ARG 55 -11.341 -9.808 2.630
116 1HD ARG 55 2HD ARG 55 -13.937 -10.708 3.862
117 2HD ARG 55 1HD ARG 55 -12.321 -10.698 4.564
118 HE ARG 55 HE ARG 55 -12.926 -8.007 4.159
119 1HH1 ARG 55 HH1 ARG 55 -14.428 -10.721 5.621
120 2HH1 ARG 55 HH1 ARG 55 -15.138 -9.820 6.920
121 1HH2 ARG 55 HH2 ARG 55 -13.751 -6.786 5.842
122 2HH2 ARG 55 HH2 ARG 55 -14.744 -7.534 7.048
123 H ASN 56 H ASN 56 -15.074 -7.681 0.047
124 HA ASN 56 HA ASN 56 -14.202 -5.547 -1.734
125 1HB ASN 56 2HB ASN 56 -16.497 -6.631 -1.800
126 2HB ASN 56 1HB ASN 56 -16.857 -5.874 -0.250
127 1HD2 ASN 56 HD2 ASN 56 -16.003 -2.786 -2.629
128 2HD2 ASN 56 HD2 ASN 56 -14.831 -3.787 -1.917
129 H HIS 57 H HIS 57 -15.565 -5.601 1.564
130 HA HIS 57 HA HIS 57 -15.564 -2.920 2.215
131 1HB HIS 57 2HB HIS 57 -14.502 -5.241 3.911
132 2HB HIS 57 1HB HIS 57 -14.923 -3.658 4.560
133 HD1 HIS 57 HD1 HIS 57 -16.564 -6.462 2.802
134 HD2 HIS 57 HD2 HIS 57 -17.603 -3.276 5.084
135 HE1 HIS 57 HE1 HIS 57 -18.936 -6.743 3.205
136 H ASP 58 H ASP 58 -12.679 -5.027 2.331
137 HA ASP 58 HA ASP 58 -10.823 -3.181 3.307
138 1HB ASP 58 2HB ASP 58 -10.310 -5.046 0.936
139 2HB ASP 58 1HB ASP 58 -9.129 -4.486 2.115
140 H LEU 59 H LEU 59 -11.802 -3.652 -0.070
141 HA LEU 59 HA LEU 59 -10.233 -1.549 -1.193
142 1HB LEU 59 2HB LEU 59 -11.948 -3.500 -2.164
143 2HB LEU 59 1HB LEU 59 -12.986 -2.096 -2.346
144 HG LEU 59 HG LEU 59 -11.704 -2.488 -4.406
145 1HD1 LEU 59 HD1 LEU 59 -12.230 -0.141 -3.602
146 2HD1 LEU 59 HD1 LEU 59 -10.592 -0.051 -2.968
147 3HD1 LEU 59 HD1 LEU 59 -10.855 -0.236 -4.697
148 1HD2 LEU 59 HD2 LEU 59 -9.640 -3.369 -2.793
149 2HD2 LEU 59 HD2 LEU 59 -9.423 -2.912 -4.479
150 3HD2 LEU 59 HD2 LEU 59 -9.053 -1.762 -3.200
151 H ILE 60 H ILE 60 -13.433 -1.544 0.317
152 HA ILE 60 HA ILE 60 -14.063 1.163 -0.390
153 HB ILE 60 HB ILE 60 -14.977 -0.356 2.100
154 1HG1 ILE 60 2HG1 ILE 60 -16.007 -0.476 -0.759
155 2HG1 ILE 60 1HG1 ILE 60 -15.315 -1.797 0.168
156 1HG2 ILE 60 2HG2 ILE 60 -15.533 2.162 1.733
157 2HG2 ILE 60 1HG2 ILE 60 -16.480 1.651 0.340
158 3HG2 ILE 60 3HG2 ILE 60 -16.923 1.107 1.954
159 1HD1 ILE 60 HD1 ILE 60 -17.230 -1.300 1.884
160 2HD1 ILE 60 HD1 ILE 60 -17.982 -0.434 0.545
161 3HD1 ILE 60 HD1 ILE 60 -17.639 -2.154 0.399
162 H ARG 61 H ARG 61 -12.589 -0.290 2.471
163 HA ARG 61 HA ARG 61 -12.220 2.303 3.757
164 1HB ARG 61 2HB ARG 61 -12.423 -0.058 4.876
165 2HB ARG 61 1HB ARG 61 -10.732 -0.274 4.439
166 1HG ARG 61 2HG ARG 61 -10.323 2.000 5.597
167 2HG ARG 61 1HG ARG 61 -11.937 1.815 6.274
168 1HD ARG 61 2HD ARG 61 -10.219 0.925 7.825
169 2HD ARG 61 1HD ARG 61 -11.277 -0.364 7.255
170 HE ARG 61 HE ARG 61 -9.303 -1.353 6.446
171 1HH1 ARG 61 HH1 ARG 61 -8.464 1.748 7.266
172 2HH1 ARG 61 HH1 ARG 61 -7.245 1.957 6.053
173 1HH2 ARG 61 HH2 ARG 61 -8.088 -1.021 4.408
174 2HH2 ARG 61 HH2 ARG 61 -7.026 0.349 4.392
175 H HIS 62 H HIS 62 -10.470 0.358 1.508
176 HA HIS 62 HA HIS 62 -7.918 1.744 2.024
177 1HB HIS 62 2HB HIS 62 -7.603 -0.560 1.415
178 2HB HIS 62 1HB HIS 62 -8.807 -0.470 0.157
179 HD1 HIS 62 HD1 HIS 62 -5.321 -0.180 0.586
180 HD2 HIS 62 HD2 HIS 62 -8.006 1.171 -2.135
181 HE1 HIS 62 HE1 HIS 62 -3.969 0.602 -1.261
182 H LYS 63 H LYS 63 -10.618 1.920 -0.163
183 HA LYS 63 HA LYS 63 -9.235 3.553 -2.130
184 1HB LYS 63 2HB LYS 63 -11.179 2.204 -2.793
185 2HB LYS 63 1HB LYS 63 -12.193 3.016 -1.609
186 1HG LYS 63 2HG LYS 63 -12.155 5.070 -2.812
187 2HG LYS 63 1HG LYS 63 -10.768 4.576 -3.777
188 1HD LYS 63 2HD LYS 63 -12.847 4.441 -5.106
189 2HD LYS 63 1HD LYS 63 -12.152 2.840 -4.876
190 1HE LYS 63 2HE LYS 63 -13.751 2.272 -3.199
191 2HE LYS 63 1HE LYS 63 -14.253 3.947 -2.999
192 1HZ LYS 63 1HZ LYS 63 -14.582 3.119 -5.686
193 2HZ LYS 63 3HZ LYS 63 -15.392 2.056 -4.638
194 3HZ LYS 63 2HZ LYS 63 -15.738 3.718 -4.596
195 H LYS 64 H LYS 64 -12.039 4.383 -0.076
196 HA LYS 64 HA LYS 64 -11.879 7.154 -0.408
197 1HB LYS 64 2HB LYS 64 -13.206 7.325 1.629
198 2HB LYS 64 1HB LYS 64 -13.669 5.808 0.870
199 1HG LYS 64 2HG LYS 64 -11.903 4.685 2.358
200 2HG LYS 64 1HG LYS 64 -11.820 6.206 3.242
201 1HD LYS 64 2HD LYS 64 -14.434 5.986 3.387
202 2HD LYS 64 1HD LYS 64 -14.153 4.296 2.983
203 1HE LYS 64 2HE LYS 64 -12.421 4.325 4.917
204 2HE LYS 64 1HE LYS 64 -13.191 5.828 5.406
205 1HZ LYS 64 2HZ LYS 64 -14.753 3.370 4.926
206 2HZ LYS 64 1HZ LYS 64 -14.045 3.701 6.433
207 3HZ LYS 64 3HZ LYS 64 -15.205 4.760 5.789
208 H SER 65 H SER 65 -9.580 5.165 1.046
209 HA SER 65 HA SER 65 -8.561 7.111 2.966
210 1HB SER 65 2HB SER 65 -7.450 4.520 1.773
211 2HB SER 65 1HB SER 65 -6.554 5.481 2.964
212 HG SER 65 HG SER 65 -9.251 5.006 3.455
213 H HIS 66 H HIS 66 -7.785 6.155 -0.347
214 HA HIS 66 HA HIS 66 -5.336 7.420 -0.740
215 1HB HIS 66 2HB HIS 66 -7.789 6.991 -2.479
216 2HB HIS 66 1HB HIS 66 -6.528 8.045 -3.113
217 HD1 HIS 66 HD1 HIS 66 -4.089 6.768 -2.802
218 HD2 HIS 66 HD2 HIS 66 -7.342 4.393 -3.133
219 HE1 HIS 66 HE1 HIS 66 -3.217 4.606 -3.459
220 H GLN 67 H GLN 67 -8.350 8.889 0.030
221 HA GLN 67 HA GLN 67 -7.866 11.504 -1.043
222 1HB GLN 67 2HB GLN 67 -9.514 10.486 1.317
223 2HB GLN 67 1HB GLN 67 -9.508 12.180 0.844
224 1HG GLN 67 2HG GLN 67 -10.257 11.543 -1.433
225 2HG GLN 67 1HG GLN 67 -10.278 9.849 -0.948
226 1HE2 GLN 67 2HE2 GLN 67 -13.362 10.095 0.753
227 2HE2 GLN 67 1HE2 GLN 67 -12.041 9.111 0.343
228 H GLU 68 H GLU 68 -8.195 11.273 2.417
229 HA GLU 68 HA GLU 68 -5.416 11.788 3.026
230 1HB GLU 68 2HB GLU 68 -6.254 13.975 1.936
231 2HB GLU 68 1HB GLU 68 -7.317 14.158 3.327
232 1HG GLU 68 2HG GLU 68 -5.305 15.396 3.823
233 2HG GLU 68 1HG GLU 68 -5.249 13.930 4.798
234 H LYS 69 H LYS 69 -5.138 11.088 5.031
235 HA LYS 69 HA LYS 69 -7.339 10.353 6.715
236 1HB LYS 69 2HB LYS 69 -4.445 10.849 7.568
237 2HB LYS 69 1HB LYS 69 -5.606 9.779 8.347
238 1HG LYS 69 2HG LYS 69 -5.721 8.540 6.081
239 2HG LYS 69 1HG LYS 69 -4.271 9.440 5.651
240 1HD LYS 69 2HD LYS 69 -4.551 7.682 8.113
241 2HD LYS 69 1HD LYS 69 -3.736 7.206 6.629
242 1HE LYS 69 2HE LYS 69 -2.306 9.341 6.945
243 2HE LYS 69 1HE LYS 69 -2.941 9.371 8.586
244 1HZ LYS 69 1HZ LYS 69 -2.139 6.785 8.192
245 2HZ LYS 69 3HZ LYS 69 -0.920 7.717 7.464
246 3HZ LYS 69 2HZ LYS 69 -1.325 7.973 9.093
247 H ALA 70 H ALA 70 -8.246 11.340 8.458
248 HA ALA 70 HA ALA 70 -8.168 14.207 8.567
249 1HB ALA 70 3HB ALA 70 -9.238 12.109 10.519
250 2HB ALA 70 2HB ALA 70 -9.528 13.836 10.698
251 3HB ALA 70 1HB ALA 70 -10.165 12.978 9.300
No H/Q in entry = 251
Start of MODEL 8
1 1H ASP 39 3H ASP 39 -9.495 -13.005 -10.524
2 2H ASP 39 2H ASP 39 -9.227 -14.676 -10.386
3 3H ASP 39 1H ASP 39 -10.791 -14.047 -10.175
4 HA ASP 39 HA ASP 39 -10.383 -14.077 -8.018
5 1HB ASP 39 2HB ASP 39 -7.463 -14.290 -8.895
6 2HB ASP 39 1HB ASP 39 -7.919 -14.174 -7.196
7 H ARG 40 H ARG 40 -9.259 -12.654 -6.298
8 HA ARG 40 HA ARG 40 -9.223 -10.442 -5.493
9 1HB ARG 40 2HB ARG 40 -7.366 -10.207 -7.912
10 2HB ARG 40 1HB ARG 40 -7.364 -9.142 -6.510
11 1HG ARG 40 2HG ARG 40 -6.722 -10.981 -5.048
12 2HG ARG 40 1HG ARG 40 -6.883 -12.136 -6.365
13 1HD ARG 40 2HD ARG 40 -5.110 -10.793 -7.609
14 2HD ARG 40 1HD ARG 40 -4.842 -9.910 -6.107
15 HE ARG 40 HE ARG 40 -4.696 -12.681 -5.506
16 1HH1 ARG 40 HH1 ARG 40 -3.281 -10.787 -7.932
17 2HH1 ARG 40 HH1 ARG 40 -1.650 -11.259 -7.588
18 1HH2 ARG 40 HH2 ARG 40 -2.568 -13.094 -4.746
19 2HH2 ARG 40 HH2 ARG 40 -1.236 -12.600 -5.736
20 HA PRO 41 HA PRO 41 -12.060 -8.947 -8.904
21 1HB PRO 41 2HB PRO 41 -14.225 -8.660 -6.976
22 2HB PRO 41 1HB PRO 41 -14.115 -9.842 -8.285
23 1HG PRO 41 2HG PRO 41 -13.797 -10.309 -5.412
24 2HG PRO 41 1HG PRO 41 -13.797 -11.507 -6.713
25 1HD PRO 41 1HD PRO 41 -11.513 -10.535 -5.206
26 2HD PRO 41 2HD PRO 41 -11.512 -11.723 -6.519
27 H TYR 42 H TYR 42 -10.981 -7.940 -5.820
28 HA TYR 42 HA TYR 42 -11.884 -5.122 -6.291
29 1HB TYR 42 2HB TYR 42 -10.890 -6.574 -3.774
30 2HB TYR 42 1HB TYR 42 -11.196 -4.839 -3.848
31 HD1 TYR 42 HD2 TYR 42 -13.550 -4.139 -4.799
32 HD2 TYR 42 HD1 TYR 42 -12.686 -7.981 -3.205
33 HE1 TYR 42 HE2 TYR 42 -15.942 -4.524 -4.440
34 HE2 TYR 42 HE1 TYR 42 -15.077 -8.372 -2.844
35 HH TYR 42 HH TYR 42 -17.358 -5.984 -2.870
36 H SER 43 H SER 43 -10.184 -5.137 -7.936
37 HA SER 43 HA SER 43 -7.428 -4.793 -6.799
38 1HB SER 43 2HB SER 43 -6.836 -4.740 -9.319
39 2HB SER 43 1HB SER 43 -7.552 -6.267 -8.769
40 HG SER 43 HG SER 43 -8.581 -4.335 -10.419
41 H CYS 44 H CYS 44 -8.011 -2.716 -5.831
42 HA CYS 44 HA CYS 44 -9.074 -0.489 -7.106
43 1HB CYS 44 2HB CYS 44 -8.341 -0.502 -4.762
44 2HB CYS 44 1HB CYS 44 -6.676 -0.678 -5.245
45 H ASP 45 H ASP 45 -8.234 1.223 -8.328
46 HA ASP 45 HA ASP 45 -5.534 0.817 -9.561
47 1HB ASP 45 2HB ASP 45 -6.664 1.419 -11.806
48 2HB ASP 45 1HB ASP 45 -7.062 -0.179 -11.181
49 H HIS 46 H HIS 46 -5.897 2.654 -7.658
50 HA HIS 46 HA HIS 46 -6.670 5.222 -8.850
51 1HB HIS 46 2HB HIS 46 -7.198 4.932 -6.497
52 2HB HIS 46 1HB HIS 46 -5.587 4.325 -6.141
53 HD1 HIS 46 HD1 HIS 46 -7.362 7.458 -6.670
54 HD2 HIS 46 HD2 HIS 46 -3.576 6.277 -5.842
55 HE1 HIS 46 HE1 HIS 46 -6.213 9.491 -6.030
56 HA PRO 47 HA PRO 47 -2.649 6.146 -10.512
57 1HB PRO 47 2HB PRO 47 -2.716 8.957 -9.579
58 2HB PRO 47 1HB PRO 47 -2.858 8.347 -11.233
59 1HG PRO 47 2HG PRO 47 -4.990 9.364 -9.535
60 2HG PRO 47 1HG PRO 47 -5.135 8.748 -11.186
61 1HD PRO 47 1HD PRO 47 -6.044 7.459 -8.773
62 2HD PRO 47 2HD PRO 47 -6.076 6.792 -10.413
63 H GLY 48 H GLY 48 -0.891 5.437 -9.507
64 1HA GLY 48 2HA GLY 48 0.957 5.528 -8.019
65 2HA GLY 48 1HA GLY 48 0.163 6.840 -7.153
66 H CYS 49 H CYS 49 -0.953 3.540 -7.915
67 HA CYS 49 HA CYS 49 -1.092 2.983 -4.956
68 1HB CYS 49 2HB CYS 49 -3.344 3.473 -5.769
69 2HB CYS 49 1HB CYS 49 -3.136 2.415 -7.137
70 H ASP 50 H ASP 50 -1.301 0.697 -4.474
71 HA ASP 50 HA ASP 50 -0.680 -1.332 -6.408
72 1HB ASP 50 2HB ASP 50 1.699 -1.750 -5.423
73 2HB ASP 50 1HB ASP 50 1.544 -0.373 -6.513
74 H LYS 51 H LYS 51 -2.599 -1.451 -4.651
75 HA LYS 51 HA LYS 51 -1.618 -3.388 -2.582
76 1HB LYS 51 2HB LYS 51 -3.590 -1.094 -2.258
77 2HB LYS 51 1HB LYS 51 -3.489 -2.408 -1.099
78 1HG LYS 51 2HG LYS 51 -0.791 -1.340 -1.663
79 2HG LYS 51 1HG LYS 51 -1.858 -0.040 -1.154
80 1HD LYS 51 2HD LYS 51 -1.702 -2.646 0.388
81 2HD LYS 51 1HD LYS 51 -0.598 -1.316 0.707
82 1HE LYS 51 2HE LYS 51 -2.336 0.120 1.421
83 2HE LYS 51 1HE LYS 51 -3.582 -0.843 0.639
84 1HZ LYS 51 3HZ LYS 51 -2.086 -2.302 2.602
85 2HZ LYS 51 2HZ LYS 51 -2.910 -0.966 3.250
86 3HZ LYS 51 1HZ LYS 51 -3.767 -2.160 2.397
87 H ALA 52 H ALA 52 -2.328 -5.151 -3.759
88 HA ALA 52 HA ALA 52 -4.958 -5.297 -4.943
89 1HB ALA 52 1HB ALA 52 -3.035 -7.509 -4.064
90 2HB ALA 52 3HB ALA 52 -4.430 -7.746 -5.110
91 3HB ALA 52 2HB ALA 52 -3.075 -6.765 -5.659
92 H PHE 53 H PHE 53 -6.611 -6.839 -4.280
93 HA PHE 53 HA PHE 53 -6.709 -7.452 -1.367
94 1HB PHE 53 2HB PHE 53 -8.601 -5.603 -2.877
95 2HB PHE 53 1HB PHE 53 -9.093 -6.376 -1.385
96 HD1 PHE 53 HD1 PHE 53 -7.574 -6.008 0.686
97 HD2 PHE 53 HD2 PHE 53 -7.276 -3.636 -2.843
98 HE1 PHE 53 HE1 PHE 53 -6.376 -4.271 1.945
99 HE2 PHE 53 HE2 PHE 53 -6.087 -1.903 -1.572
100 HZ PHE 53 HZ PHE 53 -5.643 -2.216 0.819
101 H VAL 54 H VAL 54 -9.346 -8.150 -1.184
102 HA VAL 54 HA VAL 54 -10.136 -9.857 -3.407
103 HB VAL 54 HB VAL 54 -8.192 -11.037 -2.087
104 1HG1 VAL 54 2HG1 VAL 54 -9.251 -10.454 0.170
105 2HG1 VAL 54 1HG1 VAL 54 -10.429 -11.718 -0.174
106 3HG1 VAL 54 3HG1 VAL 54 -8.724 -12.122 -0.026
107 1HG2 VAL 54 3HG2 VAL 54 -10.879 -12.309 -2.625
108 2HG2 VAL 54 2HG2 VAL 54 -9.460 -12.307 -3.668
109 3HG2 VAL 54 1HG2 VAL 54 -9.461 -13.256 -2.185
110 H ARG 55 H ARG 55 -10.413 -9.077 -0.002
111 HA ARG 55 HA ARG 55 -13.274 -9.884 0.053
112 1HB ARG 55 2HB ARG 55 -11.401 -8.664 2.154
113 2HB ARG 55 1HB ARG 55 -13.082 -9.086 2.472
114 1HG ARG 55 2HG ARG 55 -12.304 -11.467 1.485
115 2HG ARG 55 1HG ARG 55 -10.717 -10.900 1.990
116 1HD ARG 55 2HD ARG 55 -13.172 -11.097 3.775
117 2HD ARG 55 1HD ARG 55 -11.784 -12.183 3.809
118 HE ARG 55 HE ARG 55 -10.961 -9.432 4.169
119 1HH1 ARG 55 HH1 ARG 55 -10.796 -12.394 5.519
120 2HH1 ARG 55 HH1 ARG 55 -10.988 -11.909 7.170
121 1HH2 ARG 55 HH2 ARG 55 -11.919 -8.641 6.312
122 2HH2 ARG 55 HH2 ARG 55 -11.640 -9.727 7.632
123 H ASN 56 H ASN 56 -14.915 -8.479 -0.200
124 HA ASN 56 HA ASN 56 -14.500 -5.822 -1.102
125 1HB ASN 56 2HB ASN 56 -16.684 -7.267 -1.164
126 2HB ASN 56 1HB ASN 56 -16.959 -6.733 0.491
127 1HD2 ASN 56 HD2 ASN 56 -18.705 -4.045 -1.047
128 2HD2 ASN 56 HD2 ASN 56 -18.870 -5.512 -0.208
129 H HIS 57 H HIS 57 -15.748 -3.985 0.310
130 HA HIS 57 HA HIS 57 -15.643 -2.605 2.199
131 1HB HIS 57 2HB HIS 57 -14.472 -4.860 3.877
132 2HB HIS 57 1HB HIS 57 -15.646 -3.632 4.335
133 HD1 HIS 57 HD1 HIS 57 -15.769 -6.931 4.045
134 HD2 HIS 57 HD2 HIS 57 -17.999 -4.107 2.179
135 HE1 HIS 57 HE1 HIS 57 -17.781 -8.092 3.363
136 H ASP 58 H ASP 58 -12.874 -4.908 2.422
137 HA ASP 58 HA ASP 58 -10.990 -3.109 3.419
138 1HB ASP 58 2HB ASP 58 -10.698 -5.621 2.823
139 2HB ASP 58 1HB ASP 58 -10.379 -5.091 1.172
140 H LEU 59 H LEU 59 -12.151 -3.503 0.126
141 HA LEU 59 HA LEU 59 -10.269 -1.618 -1.044
142 1HB LEU 59 2HB LEU 59 -11.987 -3.540 -2.045
143 2HB LEU 59 1HB LEU 59 -12.981 -2.119 -2.322
144 HG LEU 59 HG LEU 59 -11.622 -2.578 -4.303
145 1HD1 LEU 59 HD1 LEU 59 -12.065 -0.199 -3.530
146 2HD1 LEU 59 HD1 LEU 59 -10.431 -0.178 -2.882
147 3HD1 LEU 59 HD1 LEU 59 -10.687 -0.386 -4.608
148 1HD2 LEU 59 HD2 LEU 59 -9.693 -3.559 -2.613
149 2HD2 LEU 59 HD2 LEU 59 -9.359 -3.088 -4.274
150 3HD2 LEU 59 HD2 LEU 59 -9.003 -1.981 -2.960
151 H ILE 60 H ILE 60 -13.504 -1.440 0.331
152 HA ILE 60 HA ILE 60 -13.978 1.281 -0.508
153 HB ILE 60 HB ILE 60 -15.154 -0.132 1.939
154 1HG1 ILE 60 2HG1 ILE 60 -15.940 -0.385 -0.988
155 2HG1 ILE 60 1HG1 ILE 60 -15.324 -1.667 0.047
156 1HG2 ILE 60 2HG2 ILE 60 -15.606 2.377 1.358
157 2HG2 ILE 60 1HG2 ILE 60 -16.480 1.780 -0.049
158 3HG2 ILE 60 3HG2 ILE 60 -17.029 1.363 1.573
159 1HD1 ILE 60 HD1 ILE 60 -17.350 -1.131 1.586
160 2HD1 ILE 60 HD1 ILE 60 -17.997 -0.262 0.199
161 3HD1 ILE 60 HD1 ILE 60 -17.676 -1.988 0.082
162 H ARG 61 H ARG 61 -12.410 -0.264 2.181
163 HA ARG 61 HA ARG 61 -12.164 2.237 3.712
164 1HB ARG 61 2HB ARG 61 -12.341 0.014 4.866
165 2HB ARG 61 1HB ARG 61 -10.864 -0.518 4.070
166 1HG ARG 61 2HG ARG 61 -9.558 1.174 5.213
167 2HG ARG 61 1HG ARG 61 -11.011 1.924 5.865
168 1HD ARG 61 2HD ARG 61 -11.455 0.049 7.291
169 2HD ARG 61 1HD ARG 61 -10.280 -0.960 6.445
170 HE ARG 61 HE ARG 61 -9.167 1.459 7.717
171 1HH1 ARG 61 HH1 ARG 61 -10.578 -1.271 8.946
172 2HH1 ARG 61 HH1 ARG 61 -9.169 -1.899 9.732
173 1HH2 ARG 61 HH2 ARG 61 -7.040 0.446 8.230
174 2HH2 ARG 61 HH2 ARG 61 -7.112 -0.902 9.315
175 H HIS 62 H HIS 62 -10.244 0.186 1.605
176 HA HIS 62 HA HIS 62 -7.797 1.683 2.039
177 1HB HIS 62 2HB HIS 62 -7.421 -0.580 1.332
178 2HB HIS 62 1HB HIS 62 -8.677 -0.491 0.119
179 HD1 HIS 62 HD1 HIS 62 -5.176 0.177 0.543
180 HD2 HIS 62 HD2 HIS 62 -8.004 0.942 -2.270
181 HE1 HIS 62 HE1 HIS 62 -3.932 1.000 -1.362
182 H LYS 63 H LYS 63 -10.457 1.742 -0.218
183 HA LYS 63 HA LYS 63 -9.196 3.532 -2.088
184 1HB LYS 63 2HB LYS 63 -11.103 2.096 -2.735
185 2HB LYS 63 1HB LYS 63 -12.126 2.884 -1.543
186 1HG LYS 63 2HG LYS 63 -12.058 4.979 -2.732
187 2HG LYS 63 1HG LYS 63 -10.766 4.413 -3.782
188 1HD LYS 63 2HD LYS 63 -12.727 4.222 -5.118
189 2HD LYS 63 1HD LYS 63 -12.438 2.583 -4.556
190 1HE LYS 63 2HE LYS 63 -14.830 3.270 -4.315
191 2HE LYS 63 1HE LYS 63 -14.095 2.862 -2.773
192 1HZ LYS 63 3HZ LYS 63 -13.799 5.626 -3.487
193 2HZ LYS 63 2HZ LYS 63 -15.419 5.146 -3.323
194 3HZ LYS 63 1HZ LYS 63 -14.335 4.929 -2.034
195 H LYS 64 H LYS 64 -10.571 3.925 0.983
196 HA LYS 64 HA LYS 64 -11.408 6.699 0.585
197 1HB LYS 64 2HB LYS 64 -12.543 5.322 2.305
198 2HB LYS 64 1HB LYS 64 -11.014 4.937 3.065
199 1HG LYS 64 2HG LYS 64 -12.227 6.666 4.360
200 2HG LYS 64 1HG LYS 64 -10.720 7.305 3.740
201 1HD LYS 64 2HD LYS 64 -12.627 8.900 3.455
202 2HD LYS 64 1HD LYS 64 -11.916 8.454 1.918
203 1HE LYS 64 2HE LYS 64 -14.220 6.802 2.945
204 2HE LYS 64 1HE LYS 64 -14.567 8.391 2.275
205 1HZ LYS 64 3HZ LYS 64 -13.400 7.752 0.252
206 2HZ LYS 64 2HZ LYS 64 -13.126 6.204 0.887
207 3HZ LYS 64 1HZ LYS 64 -14.711 6.722 0.576
208 H SER 65 H SER 65 -8.494 5.055 1.170
209 HA SER 65 HA SER 65 -7.163 7.224 2.615
210 1HB SER 65 2HB SER 65 -5.848 4.914 1.091
211 2HB SER 65 1HB SER 65 -5.207 5.788 2.496
212 HG SER 65 HG SER 65 -7.301 5.094 3.502
213 H HIS 66 H HIS 66 -7.803 6.458 -0.686
214 HA HIS 66 HA HIS 66 -5.557 7.944 -1.784
215 1HB HIS 66 2HB HIS 66 -8.169 6.836 -2.896
216 2HB HIS 66 1HB HIS 66 -7.136 7.853 -3.900
217 HD1 HIS 66 HD1 HIS 66 -4.479 6.840 -3.321
218 HD2 HIS 66 HD2 HIS 66 -7.585 4.250 -3.556
219 HE1 HIS 66 HE1 HIS 66 -3.461 4.692 -3.783
220 H GLN 67 H GLN 67 -7.478 9.215 0.198
221 HA GLN 67 HA GLN 67 -7.500 11.828 -1.094
222 1HB GLN 67 2HB GLN 67 -10.065 12.053 -0.624
223 2HB GLN 67 1HB GLN 67 -9.598 11.110 -2.034
224 1HG GLN 67 2HG GLN 67 -9.957 9.039 -0.896
225 2HG GLN 67 1HG GLN 67 -10.050 9.837 0.672
226 1HE2 GLN 67 2HE2 GLN 67 -13.330 11.308 -0.224
227 2HE2 GLN 67 1HE2 GLN 67 -11.825 11.886 0.307
228 H GLU 68 H GLU 68 -6.587 10.343 1.359
229 HA GLU 68 HA GLU 68 -7.200 12.513 3.255
230 1HB GLU 68 2HB GLU 68 -8.031 9.601 3.694
231 2HB GLU 68 1HB GLU 68 -7.832 10.721 5.035
232 1HG GLU 68 2HG GLU 68 -9.453 12.278 3.782
233 2HG GLU 68 1HG GLU 68 -9.811 10.895 2.751
234 H LYS 69 H LYS 69 -6.226 11.367 5.560
235 HA LYS 69 HA LYS 69 -3.633 10.088 4.941
236 1HB LYS 69 2HB LYS 69 -3.424 12.673 4.695
237 2HB LYS 69 1HB LYS 69 -3.683 12.754 6.435
238 1HG LYS 69 2HG LYS 69 -1.738 11.278 6.803
239 2HG LYS 69 1HG LYS 69 -1.491 11.156 5.065
240 1HD LYS 69 2HD LYS 69 -1.297 13.700 5.033
241 2HD LYS 69 1HD LYS 69 -1.246 13.636 6.791
242 1HE LYS 69 2HE LYS 69 1.039 13.628 6.077
243 2HE LYS 69 1HE LYS 69 0.679 11.969 6.541
244 1HZ LYS 69 1HZ LYS 69 0.030 11.806 4.022
245 2HZ LYS 69 3HZ LYS 69 1.113 13.107 3.883
246 3HZ LYS 69 2HZ LYS 69 1.641 11.628 4.531
247 H ALA 70 H ALA 70 -5.394 8.770 6.294
248 HA ALA 70 HA ALA 70 -4.212 8.385 8.874
249 1HB ALA 70 2HB ALA 70 -6.862 9.896 8.728
250 2HB ALA 70 1HB ALA 70 -6.349 9.042 10.180
251 3HB ALA 70 3HB ALA 70 -5.396 10.390 9.568
No H/Q in entry = 251
Start of MODEL 9
1 1H ASP 39 3H ASP 39 -10.007 -14.579 -6.511
2 2H ASP 39 2H ASP 39 -9.528 -16.206 -6.602
3 3H ASP 39 1H ASP 39 -9.083 -15.264 -5.261
4 HA ASP 39 HA ASP 39 -7.192 -15.501 -6.661
5 1HB ASP 39 2HB ASP 39 -7.382 -14.461 -9.013
6 2HB ASP 39 1HB ASP 39 -8.254 -15.977 -8.807
7 H ARG 40 H ARG 40 -8.439 -13.638 -4.819
8 HA ARG 40 HA ARG 40 -8.242 -11.407 -4.103
9 1HB ARG 40 2HB ARG 40 -5.627 -12.014 -5.538
10 2HB ARG 40 1HB ARG 40 -5.872 -10.502 -4.671
11 1HG ARG 40 2HG ARG 40 -6.319 -11.715 -2.595
12 2HG ARG 40 1HG ARG 40 -6.221 -13.256 -3.440
13 1HD ARG 40 2HD ARG 40 -3.919 -11.286 -3.429
14 2HD ARG 40 1HD ARG 40 -4.103 -12.518 -2.182
15 HE ARG 40 HE ARG 40 -3.272 -12.992 -4.936
16 1HH1 ARG 40 HH1 ARG 40 -4.689 -15.014 -5.551
17 2HH1 ARG 40 HH1 ARG 40 -4.427 -16.333 -4.459
18 1HH2 ARG 40 HH2 ARG 40 -2.958 -14.287 -2.022
19 2HH2 ARG 40 HH2 ARG 40 -3.421 -15.911 -2.408
20 HA PRO 41 HA PRO 41 -9.262 -9.705 -8.298
21 1HB PRO 41 2HB PRO 41 -11.929 -8.954 -7.505
22 2HB PRO 41 1HB PRO 41 -11.492 -10.339 -8.504
23 1HG PRO 41 2HG PRO 41 -12.394 -10.329 -5.695
24 2HG PRO 41 1HG PRO 41 -12.212 -11.709 -6.786
25 1HD PRO 41 1HD PRO 41 -10.449 -10.942 -4.620
26 2HD PRO 41 2HD PRO 41 -10.229 -12.285 -5.753
27 H TYR 42 H TYR 42 -11.378 -8.044 -6.048
28 HA TYR 42 HA TYR 42 -11.268 -5.508 -6.265
29 1HB TYR 42 2HB TYR 42 -10.338 -6.852 -3.683
30 2HB TYR 42 1HB TYR 42 -10.718 -5.137 -3.783
31 HD1 TYR 42 HD2 TYR 42 -13.026 -4.439 -4.588
32 HD2 TYR 42 HD1 TYR 42 -12.105 -8.446 -3.500
33 HE1 TYR 42 HE2 TYR 42 -15.415 -4.918 -4.341
34 HE2 TYR 42 HE1 TYR 42 -14.496 -8.926 -3.253
35 HH TYR 42 HH TYR 42 -16.948 -6.611 -4.195
36 H SER 43 H SER 43 -9.503 -5.375 -7.808
37 HA SER 43 HA SER 43 -6.877 -4.645 -6.546
38 1HB SER 43 2HB SER 43 -6.701 -6.190 -8.452
39 2HB SER 43 1HB SER 43 -7.712 -5.136 -9.458
40 HG SER 43 HG SER 43 -6.066 -3.862 -9.751
41 H CYS 44 H CYS 44 -7.646 -2.620 -5.710
42 HA CYS 44 HA CYS 44 -8.931 -0.577 -7.097
43 1HB CYS 44 2HB CYS 44 -8.397 -0.241 -4.801
44 2HB CYS 44 1HB CYS 44 -6.711 -0.601 -5.045
45 H ASP 45 H ASP 45 -8.127 1.303 -8.201
46 HA ASP 45 HA ASP 45 -5.419 1.015 -9.451
47 1HB ASP 45 2HB ASP 45 -7.170 0.010 -10.984
48 2HB ASP 45 1HB ASP 45 -8.011 1.559 -10.997
49 H HIS 46 H HIS 46 -5.635 2.782 -7.554
50 HA HIS 46 HA HIS 46 -6.546 5.374 -8.641
51 1HB HIS 46 2HB HIS 46 -7.065 5.036 -6.309
52 2HB HIS 46 1HB HIS 46 -5.480 4.358 -5.977
53 HD1 HIS 46 HD1 HIS 46 -7.134 7.580 -6.368
54 HD2 HIS 46 HD2 HIS 46 -3.423 6.202 -5.517
55 HE1 HIS 46 HE1 HIS 46 -5.925 9.526 -5.581
56 HA PRO 47 HA PRO 47 -2.584 6.479 -10.325
57 1HB PRO 47 2HB PRO 47 -2.663 9.186 -9.091
58 2HB PRO 47 1HB PRO 47 -2.765 8.750 -10.802
59 1HG PRO 47 2HG PRO 47 -4.942 9.579 -9.080
60 2HG PRO 47 1HG PRO 47 -5.058 9.064 -10.769
61 1HD PRO 47 1HD PRO 47 -5.953 7.606 -8.442
62 2HD PRO 47 2HD PRO 47 -5.983 7.053 -10.123
63 H GLY 48 H GLY 48 -0.932 5.489 -9.354
64 1HA GLY 48 2HA GLY 48 1.007 5.463 -7.953
65 2HA GLY 48 1HA GLY 48 0.282 6.720 -6.954
66 H CYS 49 H CYS 49 -0.678 3.416 -7.941
67 HA CYS 49 HA CYS 49 -0.557 2.506 -5.148
68 1HB CYS 49 2HB CYS 49 -2.716 3.591 -5.123
69 2HB CYS 49 1HB CYS 49 -3.162 2.894 -6.655
70 H ASP 50 H ASP 50 -1.205 0.259 -4.922
71 HA ASP 50 HA ASP 50 -1.663 -1.415 -7.218
72 1HB ASP 50 2HB ASP 50 0.773 -0.666 -7.550
73 2HB ASP 50 1HB ASP 50 1.166 -1.508 -6.054
74 H LYS 51 H LYS 51 -2.557 -1.057 -4.455
75 HA LYS 51 HA LYS 51 -1.626 -3.517 -3.082
76 1HB LYS 51 2HB LYS 51 -3.700 -1.441 -2.249
77 2HB LYS 51 1HB LYS 51 -3.042 -2.703 -1.216
78 1HG LYS 51 2HG LYS 51 -0.702 -1.618 -1.914
79 2HG LYS 51 1HG LYS 51 -1.696 -0.209 -2.266
80 1HD LYS 51 2HD LYS 51 -2.684 -0.526 0.102
81 2HD LYS 51 1HD LYS 51 -1.344 -1.629 0.387
82 1HE LYS 51 2HE LYS 51 -1.115 1.283 -0.447
83 2HE LYS 51 1HE LYS 51 -0.733 0.628 1.140
84 1HZ LYS 51 1HZ LYS 51 0.977 -0.747 0.096
85 2HZ LYS 51 3HZ LYS 51 0.636 -0.032 -1.406
86 3HZ LYS 51 2HZ LYS 51 1.260 0.910 -0.139
87 H ALA 52 H ALA 52 -2.545 -5.378 -3.622
88 HA ALA 52 HA ALA 52 -5.200 -5.477 -4.863
89 1HB ALA 52 1HB ALA 52 -3.271 -7.659 -3.916
90 2HB ALA 52 3HB ALA 52 -4.755 -7.977 -4.811
91 3HB ALA 52 2HB ALA 52 -3.446 -7.073 -5.568
92 H PHE 53 H PHE 53 -6.892 -6.922 -4.029
93 HA PHE 53 HA PHE 53 -6.867 -7.329 -1.077
94 1HB PHE 53 2HB PHE 53 -8.748 -5.484 -2.605
95 2HB PHE 53 1HB PHE 53 -9.196 -6.150 -1.045
96 HD1 PHE 53 HD2 PHE 53 -7.564 -5.746 0.923
97 HD2 PHE 53 HD1 PHE 53 -7.330 -3.592 -2.746
98 HE1 PHE 53 HE2 PHE 53 -6.236 -4.000 2.026
99 HE2 PHE 53 HE1 PHE 53 -5.998 -1.855 -1.636
100 HZ PHE 53 HZ PHE 53 -5.455 -2.054 0.748
101 H VAL 54 H VAL 54 -8.429 -8.772 -0.330
102 HA VAL 54 HA VAL 54 -9.626 -10.495 -2.472
103 HB VAL 54 HB VAL 54 -7.996 -11.444 -0.717
104 1HG1 VAL 54 2HG1 VAL 54 -9.034 -10.074 1.176
105 2HG1 VAL 54 1HG1 VAL 54 -10.346 -11.250 1.169
106 3HG1 VAL 54 3HG1 VAL 54 -8.704 -11.762 1.537
107 1HG2 VAL 54 1HG2 VAL 54 -10.807 -12.557 -0.885
108 2HG2 VAL 54 3HG2 VAL 54 -9.462 -12.938 -1.956
109 3HG2 VAL 54 2HG2 VAL 54 -9.425 -13.463 -0.276
110 H ARG 55 H ARG 55 -10.333 -9.000 0.634
111 HA ARG 55 HA ARG 55 -13.150 -9.747 0.517
112 1HB ARG 55 2HB ARG 55 -11.374 -8.875 2.526
113 2HB ARG 55 1HB ARG 55 -12.380 -7.455 2.306
114 1HG ARG 55 2HG ARG 55 -14.397 -8.722 2.773
115 2HG ARG 55 1HG ARG 55 -13.510 -10.242 2.755
116 1HD ARG 55 2HD ARG 55 -12.411 -9.773 4.795
117 2HD ARG 55 1HD ARG 55 -12.735 -8.045 4.679
118 HE ARG 55 HE ARG 55 -14.918 -8.426 5.553
119 1HH1 ARG 55 HH1 ARG 55 -12.998 -10.944 6.302
120 2HH1 ARG 55 HH1 ARG 55 -14.227 -12.161 6.387
121 1HH2 ARG 55 HH2 ARG 55 -16.659 -10.089 4.946
122 2HH2 ARG 55 HH2 ARG 55 -16.355 -11.664 5.598
123 H ASN 56 H ASN 56 -14.708 -7.705 0.980
124 HA ASN 56 HA ASN 56 -14.383 -5.972 -1.445
125 1HB ASN 56 2HB ASN 56 -16.501 -7.403 -0.977
126 2HB ASN 56 1HB ASN 56 -16.861 -6.267 0.320
127 1HD2 ASN 56 HD2 ASN 56 -18.441 -5.141 -2.935
128 2HD2 ASN 56 HD2 ASN 56 -18.470 -6.618 -2.101
129 H HIS 57 H HIS 57 -15.759 -5.550 1.842
130 HA HIS 57 HA HIS 57 -15.695 -2.752 1.817
131 1HB HIS 57 2HB HIS 57 -16.039 -2.879 4.174
132 2HB HIS 57 1HB HIS 57 -16.579 -4.467 3.650
133 HD1 HIS 57 HD1 HIS 57 -15.527 -6.226 4.964
134 HD2 HIS 57 HD2 HIS 57 -13.101 -2.978 4.941
135 HE1 HIS 57 HE1 HIS 57 -13.687 -6.823 6.422
136 H ASP 58 H ASP 58 -13.050 -4.938 1.922
137 HA ASP 58 HA ASP 58 -11.130 -3.254 3.214
138 1HB ASP 58 2HB ASP 58 -9.488 -4.643 1.687
139 2HB ASP 58 1HB ASP 58 -10.460 -5.537 2.851
140 H LEU 59 H LEU 59 -12.300 -3.470 -0.088
141 HA LEU 59 HA LEU 59 -10.355 -1.607 -1.189
142 1HB LEU 59 2HB LEU 59 -12.179 -3.427 -2.238
143 2HB LEU 59 1HB LEU 59 -13.082 -1.942 -2.481
144 HG LEU 59 HG LEU 59 -11.724 -2.476 -4.466
145 1HD1 LEU 59 HD1 LEU 59 -12.135 -0.092 -3.702
146 2HD1 LEU 59 HD1 LEU 59 -10.517 -0.099 -3.011
147 3HD1 LEU 59 HD1 LEU 59 -10.734 -0.295 -4.747
148 1HD2 LEU 59 HD2 LEU 59 -9.771 -3.367 -2.624
149 2HD2 LEU 59 HD2 LEU 59 -9.532 -3.198 -4.360
150 3HD2 LEU 59 HD2 LEU 59 -9.065 -1.894 -3.274
151 H ILE 60 H ILE 60 -13.550 -1.383 0.248
152 HA ILE 60 HA ILE 60 -13.961 1.380 -0.478
153 HB ILE 60 HB ILE 60 -15.110 -0.116 1.933
154 1HG1 ILE 60 2HG1 ILE 60 -16.099 -0.086 -0.944
155 2HG1 ILE 60 1HG1 ILE 60 -15.394 -1.469 -0.118
156 1HG2 ILE 60 1HG2 ILE 60 -15.471 2.426 1.593
157 2HG2 ILE 60 3HG2 ILE 60 -16.361 2.018 0.130
158 3HG2 ILE 60 2HG2 ILE 60 -16.947 1.472 1.699
159 1HD1 ILE 60 HD1 ILE 60 -17.278 -1.045 1.670
160 2HD1 ILE 60 HD1 ILE 60 -18.050 -0.126 0.381
161 3HD1 ILE 60 HD1 ILE 60 -17.707 -1.838 0.157
162 H ARG 61 H ARG 61 -12.552 -0.319 2.241
163 HA ARG 61 HA ARG 61 -12.129 2.127 3.784
164 1HB ARG 61 2HB ARG 61 -12.376 -0.271 4.725
165 2HB ARG 61 1HB ARG 61 -10.751 -0.581 4.125
166 1HG ARG 61 2HG ARG 61 -10.027 1.501 5.438
167 2HG ARG 61 1HG ARG 61 -11.604 1.436 6.217
168 1HD ARG 61 2HD ARG 61 -10.101 0.207 7.640
169 2HD ARG 61 1HD ARG 61 -11.076 -0.997 6.800
170 HE ARG 61 HE ARG 61 -8.679 -0.446 5.304
171 1HH1 ARG 61 HH1 ARG 61 -9.950 -1.936 8.119
172 2HH1 ARG 61 HH1 ARG 61 -8.732 -3.164 8.205
173 1HH2 ARG 61 HH2 ARG 61 -7.076 -2.002 5.342
174 2HH2 ARG 61 HH2 ARG 61 -7.061 -3.203 6.590
175 H HIS 62 H HIS 62 -10.290 0.065 1.609
176 HA HIS 62 HA HIS 62 -7.785 1.428 2.088
177 1HB HIS 62 2HB HIS 62 -7.536 -0.799 1.224
178 2HB HIS 62 1HB HIS 62 -8.781 -0.551 0.025
179 HD1 HIS 62 HD1 HIS 62 -5.250 -0.165 0.453
180 HD2 HIS 62 HD2 HIS 62 -8.043 1.039 -2.225
181 HE1 HIS 62 HE1 HIS 62 -3.965 0.709 -1.410
182 H LYS 63 H LYS 63 -10.436 1.751 -0.192
183 HA LYS 63 HA LYS 63 -9.079 3.640 -1.899
184 1HB LYS 63 2HB LYS 63 -11.060 2.316 -2.643
185 2HB LYS 63 1HB LYS 63 -12.059 3.132 -1.445
186 1HG LYS 63 2HG LYS 63 -11.792 5.255 -2.545
187 2HG LYS 63 1HG LYS 63 -10.526 4.622 -3.592
188 1HD LYS 63 2HD LYS 63 -12.085 3.212 -4.766
189 2HD LYS 63 1HD LYS 63 -13.351 3.525 -3.583
190 1HE LYS 63 2HE LYS 63 -13.734 4.887 -5.590
191 2HE LYS 63 1HE LYS 63 -13.336 5.927 -4.229
192 1HZ LYS 63 2HZ LYS 63 -10.953 5.181 -5.479
193 2HZ LYS 63 1HZ LYS 63 -12.025 5.708 -6.686
194 3HZ LYS 63 3HZ LYS 63 -11.652 6.726 -5.380
195 H LYS 64 H LYS 64 -10.792 3.857 1.090
196 HA LYS 64 HA LYS 64 -11.564 6.600 0.976
197 1HB LYS 64 2HB LYS 64 -12.270 4.912 2.740
198 2HB LYS 64 1HB LYS 64 -10.648 5.001 3.419
199 1HG LYS 64 2HG LYS 64 -10.917 7.284 4.044
200 2HG LYS 64 1HG LYS 64 -12.332 7.484 3.018
201 1HD LYS 64 2HD LYS 64 -12.972 7.272 5.409
202 2HD LYS 64 1HD LYS 64 -13.612 5.941 4.454
203 1HE LYS 64 2HE LYS 64 -11.969 4.423 5.265
204 2HE LYS 64 1HE LYS 64 -10.949 5.721 5.874
205 1HZ LYS 64 1HZ LYS 64 -13.220 6.146 7.219
206 2HZ LYS 64 3HZ LYS 64 -13.242 4.452 7.082
207 3HZ LYS 64 2HZ LYS 64 -11.916 5.229 7.806
208 H SER 65 H SER 65 -8.490 5.106 1.283
209 HA SER 65 HA SER 65 -7.181 7.348 2.606
210 1HB SER 65 2HB SER 65 -5.117 6.083 2.149
211 2HB SER 65 1HB SER 65 -6.360 4.879 2.538
212 HG SER 65 HG SER 65 -5.187 5.519 0.107
213 H HIS 66 H HIS 66 -7.865 6.407 -0.686
214 HA HIS 66 HA HIS 66 -5.990 8.268 -1.891
215 1HB HIS 66 2HB HIS 66 -8.456 6.793 -2.938
216 2HB HIS 66 1HB HIS 66 -7.442 7.805 -3.965
217 HD1 HIS 66 HD1 HIS 66 -4.757 6.947 -3.007
218 HD2 HIS 66 HD2 HIS 66 -7.709 4.252 -3.658
219 HE1 HIS 66 HE1 HIS 66 -3.611 4.849 -3.393
220 H GLN 67 H GLN 67 -8.508 8.924 -0.002
221 HA GLN 67 HA GLN 67 -10.128 10.756 -1.443
222 1HB GLN 67 2HB GLN 67 -10.390 9.861 0.990
223 2HB GLN 67 1HB GLN 67 -9.267 11.131 1.462
224 1HG GLN 67 2HG GLN 67 -10.759 12.845 0.559
225 2HG GLN 67 1HG GLN 67 -11.846 11.611 -0.072
226 1HE2 GLN 67 2HE2 GLN 67 -11.795 12.377 3.964
227 2HE2 GLN 67 1HE2 GLN 67 -10.479 12.854 3.004
228 H GLU 68 H GLU 68 -6.844 10.935 -0.770
229 HA GLU 68 HA GLU 68 -5.276 12.664 -0.956
230 1HB GLU 68 2HB GLU 68 -6.594 12.778 -3.191
231 2HB GLU 68 1HB GLU 68 -7.482 14.124 -2.482
232 1HG GLU 68 2HG GLU 68 -5.650 15.092 -3.708
233 2HG GLU 68 1HG GLU 68 -5.218 15.205 -2.004
234 H LYS 69 H LYS 69 -5.159 13.368 1.152
235 HA LYS 69 HA LYS 69 -6.204 16.044 1.637
236 1HB LYS 69 2HB LYS 69 -8.149 14.524 2.251
237 2HB LYS 69 1HB LYS 69 -7.116 13.737 3.435
238 1HG LYS 69 2HG LYS 69 -8.446 15.407 4.599
239 2HG LYS 69 1HG LYS 69 -6.785 15.980 4.554
240 1HD LYS 69 2HD LYS 69 -7.250 17.638 2.947
241 2HD LYS 69 1HD LYS 69 -8.668 16.796 2.335
242 1HE LYS 69 2HE LYS 69 -9.252 18.819 3.691
243 2HE LYS 69 1HE LYS 69 -9.913 17.337 4.371
244 1HZ LYS 69 2HZ LYS 69 -7.581 17.417 5.612
245 2HZ LYS 69 1HZ LYS 69 -7.832 19.083 5.396
246 3HZ LYS 69 3HZ LYS 69 -8.983 18.151 6.227
247 H ALA 70 H ALA 70 -4.233 16.807 2.163
248 HA ALA 70 HA ALA 70 -2.216 17.066 3.332
249 1HB ALA 70 1HB ALA 70 -3.910 17.523 5.136
250 2HB ALA 70 3HB ALA 70 -3.930 15.810 5.538
251 3HB ALA 70 2HB ALA 70 -2.468 16.757 5.794
No H/Q in entry = 251
Start of MODEL 10
1 1H ASP 39 3H ASP 39 -10.893 -13.959 -7.020
2 2H ASP 39 2H ASP 39 -11.866 -15.008 -7.936
3 3H ASP 39 1H ASP 39 -10.250 -15.416 -7.610
4 HA ASP 39 HA ASP 39 -9.561 -14.406 -9.415
5 1HB ASP 39 2HB ASP 39 -12.405 -13.377 -9.851
6 2HB ASP 39 1HB ASP 39 -11.203 -13.764 -11.080
7 H ARG 40 H ARG 40 -9.343 -12.938 -7.038
8 HA ARG 40 HA ARG 40 -9.065 -10.746 -6.219
9 1HB ARG 40 2HB ARG 40 -7.427 -11.220 -8.292
10 2HB ARG 40 1HB ARG 40 -8.401 -9.995 -9.094
11 1HG ARG 40 2HG ARG 40 -7.958 -8.473 -7.123
12 2HG ARG 40 1HG ARG 40 -6.841 -9.686 -6.508
13 1HD ARG 40 2HD ARG 40 -5.500 -9.534 -8.565
14 2HD ARG 40 1HD ARG 40 -6.637 -8.373 -9.243
15 HE ARG 40 HE ARG 40 -5.806 -7.273 -6.802
16 1HH1 ARG 40 HH1 ARG 40 -4.333 -8.556 -9.619
17 2HH1 ARG 40 HH1 ARG 40 -3.055 -7.390 -9.668
18 1HH2 ARG 40 HH2 ARG 40 -4.245 -5.670 -6.856
19 2HH2 ARG 40 HH2 ARG 40 -3.003 -5.714 -8.062
20 HA PRO 41 HA PRO 41 -13.125 -9.347 -8.196
21 1HB PRO 41 2HB PRO 41 -14.316 -9.256 -5.531
22 2HB PRO 41 1HB PRO 41 -14.742 -10.344 -6.858
23 1HG PRO 41 2HG PRO 41 -13.274 -10.983 -4.414
24 2HG PRO 41 1HG PRO 41 -13.761 -12.091 -5.706
25 1HD PRO 41 1HD PRO 41 -11.093 -11.101 -5.149
26 2HD PRO 41 2HD PRO 41 -11.593 -12.178 -6.458
27 H TYR 42 H TYR 42 -10.863 -8.275 -5.948
28 HA TYR 42 HA TYR 42 -11.841 -5.487 -6.225
29 1HB TYR 42 2HB TYR 42 -11.127 -6.909 -3.606
30 2HB TYR 42 1HB TYR 42 -11.202 -5.157 -3.755
31 HD1 TYR 42 HD1 TYR 42 -13.358 -4.066 -4.480
32 HD2 TYR 42 HD2 TYR 42 -13.150 -8.193 -3.465
33 HE1 TYR 42 HE1 TYR 42 -15.798 -4.135 -4.267
34 HE2 TYR 42 HE2 TYR 42 -15.591 -8.262 -3.252
35 HH TYR 42 HH TYR 42 -17.601 -5.584 -4.223
36 H SER 43 H SER 43 -10.230 -5.021 -7.571
37 HA SER 43 HA SER 43 -7.446 -5.020 -6.423
38 1HB SER 43 2HB SER 43 -7.914 -6.570 -8.464
39 2HB SER 43 1HB SER 43 -8.118 -5.088 -9.407
40 HG SER 43 HG SER 43 -5.963 -5.188 -7.660
41 H CYS 44 H CYS 44 -7.945 -2.884 -5.577
42 HA CYS 44 HA CYS 44 -8.891 -0.673 -6.937
43 1HB CYS 44 2HB CYS 44 -8.139 -0.605 -4.606
44 2HB CYS 44 1HB CYS 44 -6.487 -0.877 -5.088
45 H ASP 45 H ASP 45 -7.819 1.097 -7.983
46 HA ASP 45 HA ASP 45 -5.214 0.564 -9.274
47 1HB ASP 45 2HB ASP 45 -6.270 0.987 -11.565
48 2HB ASP 45 1HB ASP 45 -6.787 -0.529 -10.833
49 H HIS 46 H HIS 46 -5.878 2.478 -7.412
50 HA HIS 46 HA HIS 46 -6.621 4.962 -8.685
51 1HB HIS 46 2HB HIS 46 -7.043 4.624 -6.292
52 2HB HIS 46 1HB HIS 46 -5.349 4.256 -6.003
53 HD1 HIS 46 HD1 HIS 46 -7.480 7.125 -6.849
54 HD2 HIS 46 HD2 HIS 46 -3.698 6.425 -5.582
55 HE1 HIS 46 HE1 HIS 46 -6.609 9.313 -6.286
56 HA PRO 47 HA PRO 47 -2.660 5.901 -10.497
57 1HB PRO 47 2HB PRO 47 -2.858 8.773 -9.786
58 2HB PRO 47 1HB PRO 47 -2.964 8.030 -11.386
59 1HG PRO 47 2HG PRO 47 -5.149 9.082 -9.792
60 2HG PRO 47 1HG PRO 47 -5.260 8.302 -11.376
61 1HD PRO 47 1HD PRO 47 -6.091 7.208 -8.835
62 2HD PRO 47 2HD PRO 47 -6.124 6.396 -10.409
63 H GLY 48 H GLY 48 -0.886 5.336 -9.436
64 1HA GLY 48 2HA GLY 48 0.986 5.743 -7.993
65 2HA GLY 48 1HA GLY 48 0.034 6.940 -7.118
66 H CYS 49 H CYS 49 -1.022 3.656 -7.886
67 HA CYS 49 HA CYS 49 -0.731 2.908 -4.987
68 1HB CYS 49 2HB CYS 49 -3.073 3.595 -5.451
69 2HB CYS 49 1HB CYS 49 -3.150 2.492 -6.798
70 H ASP 50 H ASP 50 -0.896 0.616 -4.614
71 HA ASP 50 HA ASP 50 -0.619 -1.217 -6.876
72 1HB ASP 50 2HB ASP 50 1.692 -0.063 -6.497
73 2HB ASP 50 1HB ASP 50 1.755 -0.940 -4.971
74 H LYS 51 H LYS 51 -2.048 -0.688 -4.237
75 HA LYS 51 HA LYS 51 -1.390 -3.179 -2.743
76 1HB LYS 51 2HB LYS 51 -2.244 -0.569 -1.992
77 2HB LYS 51 1HB LYS 51 -3.694 -1.532 -1.772
78 1HG LYS 51 2HG LYS 51 -0.985 -2.291 -0.624
79 2HG LYS 51 1HG LYS 51 -2.213 -1.406 0.272
80 1HD LYS 51 2HD LYS 51 -3.753 -3.226 0.156
81 2HD LYS 51 1HD LYS 51 -2.789 -4.059 -1.056
82 1HE LYS 51 2HE LYS 51 -1.895 -3.497 1.792
83 2HE LYS 51 1HE LYS 51 -2.491 -5.048 1.213
84 1HZ LYS 51 2HZ LYS 51 -0.663 -4.986 -0.452
85 2HZ LYS 51 1HZ LYS 51 -0.039 -3.627 0.353
86 3HZ LYS 51 3HZ LYS 51 -0.146 -5.117 1.160
87 H ALA 52 H ALA 52 -2.361 -4.978 -3.412
88 HA ALA 52 HA ALA 52 -4.944 -4.855 -4.872
89 1HB ALA 52 3HB ALA 52 -2.861 -6.328 -5.476
90 2HB ALA 52 2HB ALA 52 -3.373 -7.369 -4.153
91 3HB ALA 52 1HB ALA 52 -4.439 -7.108 -5.531
92 H PHE 53 H PHE 53 -6.632 -6.423 -4.339
93 HA PHE 53 HA PHE 53 -6.762 -7.233 -1.470
94 1HB PHE 53 2HB PHE 53 -8.656 -5.312 -2.894
95 2HB PHE 53 1HB PHE 53 -9.174 -6.211 -1.474
96 HD1 PHE 53 HD1 PHE 53 -7.975 -5.850 0.703
97 HD2 PHE 53 HD2 PHE 53 -7.106 -3.492 -2.735
98 HE1 PHE 53 HE1 PHE 53 -6.824 -4.202 2.115
99 HE2 PHE 53 HE2 PHE 53 -5.956 -1.861 -1.321
100 HZ PHE 53 HZ PHE 53 -5.808 -2.209 1.101
101 H VAL 54 H VAL 54 -9.155 -8.208 -1.189
102 HA VAL 54 HA VAL 54 -9.922 -9.800 -3.586
103 HB VAL 54 HB VAL 54 -9.179 -11.085 -0.902
104 1HG1 VAL 54 1HG1 VAL 54 -10.912 -12.267 -2.255
105 2HG1 VAL 54 3HG1 VAL 54 -9.797 -12.300 -3.617
106 3HG1 VAL 54 2HG1 VAL 54 -9.418 -13.191 -2.148
107 1HG2 VAL 54 2HG2 VAL 54 -7.649 -10.867 -3.511
108 2HG2 VAL 54 1HG2 VAL 54 -7.124 -10.336 -1.916
109 3HG2 VAL 54 3HG2 VAL 54 -7.261 -12.055 -2.272
110 H ARG 55 H ARG 55 -10.507 -8.873 -0.232
111 HA ARG 55 HA ARG 55 -13.343 -9.800 -0.436
112 1HB ARG 55 2HB ARG 55 -11.663 -8.695 1.868
113 2HB ARG 55 1HB ARG 55 -13.361 -9.136 2.023
114 1HG ARG 55 2HG ARG 55 -12.692 -11.442 1.111
115 2HG ARG 55 1HG ARG 55 -11.023 -10.950 1.370
116 1HD ARG 55 2HD ARG 55 -11.725 -10.381 3.781
117 2HD ARG 55 1HD ARG 55 -13.210 -11.269 3.443
118 HE ARG 55 HE ARG 55 -10.793 -12.510 4.148
119 1HH1 ARG 55 HH2 ARG 55 -13.671 -13.459 3.171
120 2HH1 ARG 55 HH2 ARG 55 -13.185 -14.711 2.077
121 1HH2 ARG 55 HH1 ARG 55 -9.836 -13.674 2.067
122 2HH2 ARG 55 HH1 ARG 55 -10.955 -14.836 1.435
123 H ASN 56 H ASN 56 -15.050 -8.427 -0.441
124 HA ASN 56 HA ASN 56 -14.645 -5.735 -1.321
125 1HB ASN 56 2HB ASN 56 -16.790 -7.217 -1.529
126 2HB ASN 56 1HB ASN 56 -17.138 -6.770 0.137
127 1HD2 ASN 56 HD2 ASN 56 -18.868 -4.010 -1.262
128 2HD2 ASN 56 HD2 ASN 56 -19.013 -5.491 -0.446
129 H HIS 57 H HIS 57 -15.819 -3.914 0.022
130 HA HIS 57 HA HIS 57 -15.850 -2.587 1.944
131 1HB HIS 57 2HB HIS 57 -16.285 -3.708 3.956
132 2HB HIS 57 1HB HIS 57 -16.343 -5.145 2.953
133 HD1 HIS 57 HD1 HIS 57 -14.842 -6.860 3.816
134 HD2 HIS 57 HD2 HIS 57 -13.400 -3.218 4.861
135 HE1 HIS 57 HE1 HIS 57 -12.871 -7.338 5.138
136 H ASP 58 H ASP 58 -13.120 -4.945 2.076
137 HA ASP 58 HA ASP 58 -11.269 -3.228 3.319
138 1HB ASP 58 2HB ASP 58 -10.954 -5.397 1.190
139 2HB ASP 58 1HB ASP 58 -9.555 -4.562 1.859
140 H LEU 59 H LEU 59 -12.417 -3.363 0.026
141 HA LEU 59 HA LEU 59 -10.456 -1.521 -1.056
142 1HB LEU 59 2HB LEU 59 -12.341 -3.256 -2.128
143 2HB LEU 59 1HB LEU 59 -13.199 -1.742 -2.325
144 HG LEU 59 HG LEU 59 -11.896 -2.235 -4.340
145 1HD1 LEU 59 HD1 LEU 59 -12.153 0.137 -3.497
146 2HD1 LEU 59 HD1 LEU 59 -10.539 0.011 -2.811
147 3HD1 LEU 59 HD1 LEU 59 -10.765 -0.111 -4.551
148 1HD2 LEU 59 HD2 LEU 59 -10.042 -3.432 -2.710
149 2HD2 LEU 59 HD2 LEU 59 -9.678 -2.917 -4.352
150 3HD2 LEU 59 HD2 LEU 59 -9.235 -1.896 -2.990
151 H ILE 60 H ILE 60 -13.596 -1.228 0.482
152 HA ILE 60 HA ILE 60 -13.947 1.563 -0.202
153 HB ILE 60 HB ILE 60 -15.179 -0.295 1.904
154 1HG1 ILE 60 2HG1 ILE 60 -17.197 -0.035 0.542
155 2HG1 ILE 60 1HG1 ILE 60 -16.383 1.126 -0.498
156 1HG2 ILE 60 2HG2 ILE 60 -15.640 2.694 1.417
157 2HG2 ILE 60 1HG2 ILE 60 -16.850 1.686 2.204
158 3HG2 ILE 60 3HG2 ILE 60 -15.270 1.906 2.949
159 1HD1 ILE 60 HD1 ILE 60 -15.241 -1.643 -0.108
160 2HD1 ILE 60 HD1 ILE 60 -16.507 -1.349 -1.293
161 3HD1 ILE 60 HD1 ILE 60 -14.967 -0.515 -1.430
162 H ARG 61 H ARG 61 -12.620 -0.225 2.515
163 HA ARG 61 HA ARG 61 -12.062 2.171 4.066
164 1HB ARG 61 2HB ARG 61 -12.361 -0.307 4.894
165 2HB ARG 61 1HB ARG 61 -10.696 -0.543 4.381
166 1HG ARG 61 2HG ARG 61 -10.665 0.053 6.736
167 2HG ARG 61 1HG ARG 61 -10.034 1.419 5.828
168 1HD ARG 61 2HD ARG 61 -11.877 2.759 6.316
169 2HD ARG 61 1HD ARG 61 -13.000 1.399 6.334
170 HE ARG 61 HE ARG 61 -11.612 2.455 8.632
171 1HH1 ARG 61 HH1 ARG 61 -10.406 0.275 9.445
172 2HH1 ARG 61 HH1 ARG 61 -11.580 -0.916 9.893
173 1HH2 ARG 61 HH2 ARG 61 -14.165 0.685 8.149
174 2HH2 ARG 61 HH2 ARG 61 -13.765 -0.678 9.139
175 H HIS 62 H HIS 62 -10.352 0.154 1.764
176 HA HIS 62 HA HIS 62 -7.780 1.406 2.252
177 1HB HIS 62 2HB HIS 62 -7.661 -0.813 1.338
178 2HB HIS 62 1HB HIS 62 -8.873 -0.459 0.134
179 HD1 HIS 62 HD1 HIS 62 -5.327 -0.023 0.731
180 HD2 HIS 62 HD2 HIS 62 -8.012 0.910 -2.165
181 HE1 HIS 62 HE1 HIS 62 -3.977 0.795 -1.106
182 H LYS 63 H LYS 63 -10.404 1.823 -0.070
183 HA LYS 63 HA LYS 63 -8.956 3.743 -1.686
184 1HB LYS 63 2HB LYS 63 -10.898 2.488 -2.578
185 2HB LYS 63 1HB LYS 63 -11.948 3.198 -1.360
186 1HG LYS 63 2HG LYS 63 -11.739 5.387 -2.306
187 2HG LYS 63 1HG LYS 63 -10.381 4.905 -3.315
188 1HD LYS 63 2HD LYS 63 -13.028 3.476 -3.657
189 2HD LYS 63 1HD LYS 63 -12.841 5.083 -4.347
190 1HE LYS 63 2HE LYS 63 -10.756 2.955 -4.852
191 2HE LYS 63 1HE LYS 63 -12.215 3.027 -5.828
192 1HZ LYS 63 2HZ LYS 63 -10.478 5.382 -5.412
193 2HZ LYS 63 1HZ LYS 63 -10.225 4.278 -6.677
194 3HZ LYS 63 3HZ LYS 63 -11.677 5.154 -6.592
195 H LYS 64 H LYS 64 -10.465 3.906 1.349
196 HA LYS 64 HA LYS 64 -11.415 6.606 1.308
197 1HB LYS 64 2HB LYS 64 -11.762 4.737 3.110
198 2HB LYS 64 1HB LYS 64 -10.183 5.203 3.729
199 1HG LYS 64 2HG LYS 64 -11.332 6.762 4.989
200 2HG LYS 64 1HG LYS 64 -11.442 7.690 3.501
201 1HD LYS 64 2HD LYS 64 -13.504 5.632 4.387
202 2HD LYS 64 1HD LYS 64 -13.663 7.365 4.639
203 1HE LYS 64 2HE LYS 64 -13.357 7.637 2.120
204 2HE LYS 64 1HE LYS 64 -13.534 5.891 1.996
205 1HZ LYS 64 1HZ LYS 64 -15.687 6.130 3.163
206 2HZ LYS 64 3HZ LYS 64 -15.521 7.817 3.055
207 3HZ LYS 64 2HZ LYS 64 -15.644 6.883 1.641
208 H SER 65 H SER 65 -8.279 5.363 1.112
209 HA SER 65 HA SER 65 -6.991 7.722 2.372
210 1HB SER 65 2HB SER 65 -5.966 5.154 1.062
211 2HB SER 65 1HB SER 65 -4.868 6.459 1.552
212 HG SER 65 HG SER 65 -6.667 6.089 3.474
213 H HIS 66 H HIS 66 -7.836 6.523 -0.781
214 HA HIS 66 HA HIS 66 -6.030 8.286 -2.233
215 1HB HIS 66 2HB HIS 66 -8.509 6.683 -3.039
216 2HB HIS 66 1HB HIS 66 -7.567 7.625 -4.191
217 HD1 HIS 66 HD1 HIS 66 -4.821 6.892 -3.258
218 HD2 HIS 66 HD2 HIS 66 -7.742 4.112 -3.636
219 HE1 HIS 66 HE1 HIS 66 -3.645 4.792 -3.528
220 H GLN 67 H GLN 67 -7.908 9.413 -0.203
221 HA GLN 67 HA GLN 67 -9.874 10.962 -1.680
222 1HB GLN 67 2HB GLN 67 -9.965 12.250 0.550
223 2HB GLN 67 1HB GLN 67 -10.284 10.523 0.678
224 1HG GLN 67 2HG GLN 67 -8.062 10.081 1.479
225 2HG GLN 67 1HG GLN 67 -7.514 11.698 1.052
226 1HE2 GLN 67 2HE2 GLN 67 -10.178 11.564 4.183
227 2HE2 GLN 67 1HE2 GLN 67 -10.489 10.652 2.785
228 H GLU 68 H GLU 68 -7.429 11.302 -2.934
229 HA GLU 68 HA GLU 68 -6.033 12.981 -3.771
230 1HB GLU 68 2HB GLU 68 -7.888 14.965 -2.381
231 2HB GLU 68 1HB GLU 68 -7.016 15.173 -3.896
232 1HG GLU 68 2HG GLU 68 -8.439 13.180 -4.765
233 2HG GLU 68 1HG GLU 68 -9.461 13.468 -3.361
234 H LYS 69 H LYS 69 -4.093 13.359 -2.965
235 HA LYS 69 HA LYS 69 -3.672 13.703 -0.107
236 1HB LYS 69 2HB LYS 69 -1.627 14.187 -2.320
237 2HB LYS 69 1HB LYS 69 -1.325 13.638 -0.675
238 1HG LYS 69 2HG LYS 69 -2.725 11.576 -1.244
239 2HG LYS 69 1HG LYS 69 -2.653 12.102 -2.922
240 1HD LYS 69 2HD LYS 69 -0.197 12.043 -2.862
241 2HD LYS 69 1HD LYS 69 -0.232 11.596 -1.160
242 1HE LYS 69 2HE LYS 69 -1.385 9.505 -1.696
243 2HE LYS 69 1HE LYS 69 -1.487 9.963 -3.391
244 1HZ LYS 69 1HZ LYS 69 1.186 10.131 -2.488
245 2HZ LYS 69 3HZ LYS 69 0.555 8.591 -2.147
246 3HZ LYS 69 2HZ LYS 69 0.533 9.184 -3.738
247 H ALA 70 H ALA 70 -5.071 15.678 -0.024
248 HA ALA 70 HA ALA 70 -3.400 18.013 0.208
249 1HB ALA 70 1HB ALA 70 -3.824 17.879 -2.319
250 2HB ALA 70 3HB ALA 70 -5.533 18.120 -1.979
251 3HB ALA 70 2HB ALA 70 -4.370 19.378 -1.576
No H/Q in entry = 251
Start of MODEL 11
1 1H ASP 39 1H ASP 39 -11.072 -13.727 -8.681
2 2H ASP 39 3H ASP 39 -10.504 -14.697 -9.954
3 3H ASP 39 2H ASP 39 -10.804 -15.385 -8.432
4 HA ASP 39 HA ASP 39 -8.864 -14.763 -7.583
5 1HB ASP 39 2HB ASP 39 -8.357 -15.711 -9.939
6 2HB ASP 39 1HB ASP 39 -8.158 -14.042 -10.467
7 H ARG 40 H ARG 40 -8.680 -13.031 -6.356
8 HA ARG 40 HA ARG 40 -8.339 -10.822 -5.710
9 1HB ARG 40 2HB ARG 40 -6.709 -11.312 -7.941
10 2HB ARG 40 1HB ARG 40 -7.571 -9.878 -8.463
11 1HG ARG 40 2HG ARG 40 -6.857 -8.660 -6.453
12 2HG ARG 40 1HG ARG 40 -6.113 -10.116 -5.800
13 1HD ARG 40 2HD ARG 40 -4.814 -10.003 -8.204
14 2HD ARG 40 1HD ARG 40 -5.110 -8.284 -7.942
15 HE ARG 40 HE ARG 40 -4.098 -9.226 -5.511
16 1HH1 ARG 40 HH1 ARG 40 -3.092 -7.730 -8.247
17 2HH1 ARG 40 HH1 ARG 40 -1.443 -8.259 -8.199
18 1HH2 ARG 40 HH2 ARG 40 -2.049 -10.566 -5.631
19 2HH2 ARG 40 HH2 ARG 40 -0.838 -9.908 -6.678
20 HA PRO 41 HA PRO 41 -12.437 -9.920 -7.985
21 1HB PRO 41 2HB PRO 41 -13.672 -9.799 -5.321
22 2HB PRO 41 1HB PRO 41 -14.053 -10.911 -6.642
23 1HG PRO 41 2HG PRO 41 -12.586 -11.487 -4.189
24 2HG PRO 41 1HG PRO 41 -12.994 -12.613 -5.491
25 1HD PRO 41 1HD PRO 41 -10.386 -11.537 -4.879
26 2HD PRO 41 2HD PRO 41 -10.828 -12.573 -6.245
27 H TYR 42 H TYR 42 -10.305 -8.496 -5.860
28 HA TYR 42 HA TYR 42 -11.495 -5.849 -6.323
29 1HB TYR 42 2HB TYR 42 -10.944 -7.040 -3.552
30 2HB TYR 42 1HB TYR 42 -11.075 -5.306 -3.828
31 HD1 TYR 42 HD2 TYR 42 -13.194 -4.394 -4.894
32 HD2 TYR 42 HD1 TYR 42 -12.931 -8.366 -3.406
33 HE1 TYR 42 HE2 TYR 42 -15.638 -4.538 -4.855
34 HE2 TYR 42 HE1 TYR 42 -15.375 -8.511 -3.364
35 HH TYR 42 HH TYR 42 -17.376 -6.392 -4.959
36 H SER 43 H SER 43 -9.883 -5.112 -7.422
37 HA SER 43 HA SER 43 -7.215 -4.862 -6.076
38 1HB SER 43 2HB SER 43 -6.274 -5.066 -8.489
39 2HB SER 43 1HB SER 43 -6.944 -6.565 -7.823
40 HG SER 43 HG SER 43 -9.012 -5.433 -8.736
41 H CYS 44 H CYS 44 -8.126 -2.762 -5.491
42 HA CYS 44 HA CYS 44 -9.091 -0.748 -7.099
43 1HB CYS 44 2HB CYS 44 -8.677 -0.379 -4.746
44 2HB CYS 44 1HB CYS 44 -6.972 -0.661 -4.931
45 H ASP 45 H ASP 45 -8.291 0.799 -8.471
46 HA ASP 45 HA ASP 45 -5.438 0.520 -9.375
47 1HB ASP 45 2HB ASP 45 -7.027 -0.675 -10.955
48 2HB ASP 45 1HB ASP 45 -7.895 0.841 -11.187
49 H HIS 46 H HIS 46 -6.191 2.421 -7.617
50 HA HIS 46 HA HIS 46 -7.066 4.845 -8.903
51 1HB HIS 46 2HB HIS 46 -7.472 4.740 -6.544
52 2HB HIS 46 1HB HIS 46 -5.874 4.092 -6.208
53 HD1 HIS 46 HD1 HIS 46 -7.604 7.238 -6.584
54 HD2 HIS 46 HD2 HIS 46 -3.755 6.027 -6.209
55 HE1 HIS 46 HE1 HIS 46 -6.373 9.259 -6.068
56 HA PRO 47 HA PRO 47 -3.302 6.142 -10.845
57 1HB PRO 47 2HB PRO 47 -3.514 8.918 -9.813
58 2HB PRO 47 1HB PRO 47 -3.727 8.343 -11.472
59 1HG PRO 47 2HG PRO 47 -5.807 9.134 -9.600
60 2HG PRO 47 1HG PRO 47 -6.021 8.540 -11.254
61 1HD PRO 47 1HD PRO 47 -6.646 7.130 -8.822
62 2HD PRO 47 2HD PRO 47 -6.727 6.491 -10.471
63 H GLY 48 H GLY 48 -1.781 5.064 -9.635
64 1HA GLY 48 2HA GLY 48 0.299 5.324 -8.410
65 2HA GLY 48 1HA GLY 48 -0.413 6.668 -7.519
66 H CYS 49 H CYS 49 -1.256 3.238 -8.097
67 HA CYS 49 HA CYS 49 -1.391 2.854 -5.119
68 1HB CYS 49 2HB CYS 49 -3.677 3.175 -6.068
69 2HB CYS 49 1HB CYS 49 -3.390 1.891 -7.210
70 H ASP 50 H ASP 50 -1.261 0.627 -4.464
71 HA ASP 50 HA ASP 50 -0.445 -1.382 -6.431
72 1HB ASP 50 2HB ASP 50 1.843 -1.660 -5.328
73 2HB ASP 50 1HB ASP 50 1.670 -0.143 -6.206
74 H LYS 51 H LYS 51 -2.220 -0.786 -3.945
75 HA LYS 51 HA LYS 51 -1.419 -3.142 -2.281
76 1HB LYS 51 2HB LYS 51 -3.661 -1.192 -1.658
77 2HB LYS 51 1HB LYS 51 -2.748 -2.189 -0.538
78 1HG LYS 51 2HG LYS 51 -0.674 -0.810 -1.376
79 2HG LYS 51 1HG LYS 51 -1.876 0.335 -1.963
80 1HD LYS 51 2HD LYS 51 -2.874 0.305 0.389
81 2HD LYS 51 1HD LYS 51 -1.443 -0.585 0.895
82 1HE LYS 51 2HE LYS 51 -0.033 1.277 -0.050
83 2HE LYS 51 1HE LYS 51 -1.512 2.180 -0.354
84 1HZ LYS 51 1HZ LYS 51 -1.673 1.344 2.263
85 2HZ LYS 51 3HZ LYS 51 -0.071 1.869 2.064
86 3HZ LYS 51 2HZ LYS 51 -1.359 2.918 1.708
87 H ALA 52 H ALA 52 -2.151 -4.727 -3.768
88 HA ALA 52 HA ALA 52 -4.794 -4.802 -4.852
89 1HB ALA 52 1HB ALA 52 -2.740 -6.262 -5.467
90 2HB ALA 52 3HB ALA 52 -3.139 -7.240 -4.058
91 3HB ALA 52 2HB ALA 52 -4.283 -7.103 -5.388
92 H PHE 53 H PHE 53 -6.491 -6.328 -4.259
93 HA PHE 53 HA PHE 53 -6.585 -7.011 -1.345
94 1HB PHE 53 2HB PHE 53 -8.520 -5.239 -2.898
95 2HB PHE 53 1HB PHE 53 -9.038 -6.075 -1.440
96 HD1 PHE 53 HD1 PHE 53 -7.789 -5.606 0.722
97 HD2 PHE 53 HD2 PHE 53 -7.106 -3.321 -2.808
98 HE1 PHE 53 HE1 PHE 53 -6.696 -3.857 2.059
99 HE2 PHE 53 HE2 PHE 53 -6.008 -1.587 -1.469
100 HZ PHE 53 HZ PHE 53 -5.808 -1.847 0.960
101 H VAL 54 H VAL 54 -8.855 -8.109 -0.962
102 HA VAL 54 HA VAL 54 -9.465 -9.955 -3.249
103 HB VAL 54 HB VAL 54 -9.069 -10.820 -0.337
104 1HG1 VAL 54 3HG1 VAL 54 -9.378 -12.378 -2.928
105 2HG1 VAL 54 2HG1 VAL 54 -9.101 -13.090 -1.341
106 3HG1 VAL 54 1HG1 VAL 54 -10.601 -12.229 -1.669
107 1HG2 VAL 54 2HG2 VAL 54 -7.214 -11.122 -2.726
108 2HG2 VAL 54 1HG2 VAL 54 -6.923 -10.092 -1.328
109 3HG2 VAL 54 3HG2 VAL 54 -6.953 -11.843 -1.141
110 H ARG 55 H ARG 55 -10.445 -8.441 -0.237
111 HA ARG 55 HA ARG 55 -13.222 -9.478 -0.569
112 1HB ARG 55 2HB ARG 55 -11.943 -7.773 1.635
113 2HB ARG 55 1HB ARG 55 -13.569 -8.437 1.690
114 1HG ARG 55 2HG ARG 55 -11.224 -10.297 1.231
115 2HG ARG 55 1HG ARG 55 -11.574 -9.740 2.861
116 1HD ARG 55 2HD ARG 55 -13.843 -10.842 1.210
117 2HD ARG 55 1HD ARG 55 -12.706 -11.965 1.951
118 HE ARG 55 HE ARG 55 -14.658 -10.306 3.373
119 1HH1 ARG 55 HH2 ARG 55 -12.776 -13.011 3.496
120 2HH1 ARG 55 HH2 ARG 55 -12.339 -12.891 5.167
121 1HH2 ARG 55 HH1 ARG 55 -13.672 -9.667 5.493
122 2HH2 ARG 55 HH1 ARG 55 -12.859 -10.949 6.327
123 H ASN 56 H ASN 56 -14.889 -7.673 0.151
124 HA ASN 56 HA ASN 56 -14.593 -5.527 -1.876
125 1HB ASN 56 2HB ASN 56 -16.729 -6.794 -1.746
126 2HB ASN 56 1HB ASN 56 -16.918 -6.343 -0.057
127 1HD2 ASN 56 HD2 ASN 56 -17.644 -3.551 -2.979
128 2HD2 ASN 56 HD2 ASN 56 -16.763 -4.950 -3.356
129 H HIS 57 H HIS 57 -15.914 -5.526 1.440
130 HA HIS 57 HA HIS 57 -15.838 -2.826 1.984
131 1HB HIS 57 2HB HIS 57 -14.735 -4.818 4.019
132 2HB HIS 57 1HB HIS 57 -15.779 -3.426 4.309
133 HD1 HIS 57 HD1 HIS 57 -16.090 -6.824 4.208
134 HD2 HIS 57 HD2 HIS 57 -18.349 -3.871 2.593
135 HE1 HIS 57 HE1 HIS 57 -18.238 -7.858 3.785
136 H ASP 58 H ASP 58 -13.041 -5.022 2.227
137 HA ASP 58 HA ASP 58 -11.160 -3.244 3.284
138 1HB ASP 58 2HB ASP 58 -10.761 -5.240 0.992
139 2HB ASP 58 1HB ASP 58 -9.465 -4.549 1.964
140 H LEU 59 H LEU 59 -12.292 -3.529 -0.055
141 HA LEU 59 HA LEU 59 -10.501 -1.548 -1.127
142 1HB LEU 59 2HB LEU 59 -12.297 -3.365 -2.187
143 2HB LEU 59 1HB LEU 59 -13.254 -1.903 -2.350
144 HG LEU 59 HG LEU 59 -11.967 -2.271 -4.397
145 1HD1 LEU 59 HD1 LEU 59 -12.286 0.072 -3.432
146 2HD1 LEU 59 HD1 LEU 59 -10.623 -0.010 -2.874
147 3HD1 LEU 59 HD1 LEU 59 -10.979 -0.092 -4.594
148 1HD2 LEU 59 HD2 LEU 59 -10.040 -3.453 -2.865
149 2HD2 LEU 59 HD2 LEU 59 -9.712 -2.836 -4.481
150 3HD2 LEU 59 HD2 LEU 59 -9.294 -1.876 -3.069
151 H ILE 60 H ILE 60 -13.720 -1.385 0.322
152 HA ILE 60 HA ILE 60 -14.098 1.408 -0.304
153 HB ILE 60 HB ILE 60 -15.402 -0.566 1.623
154 1HG1 ILE 60 2HG1 ILE 60 -17.336 -0.247 0.177
155 2HG1 ILE 60 1HG1 ILE 60 -16.527 1.051 -0.691
156 1HG2 ILE 60 3HG2 ILE 60 -15.866 2.452 1.369
157 2HG2 ILE 60 2HG2 ILE 60 -17.113 1.376 1.994
158 3HG2 ILE 60 1HG2 ILE 60 -15.579 1.535 2.844
159 1HD1 ILE 60 HD1 ILE 60 -15.331 -1.723 -0.538
160 2HD1 ILE 60 HD1 ILE 60 -16.497 -1.290 -1.784
161 3HD1 ILE 60 HD1 ILE 60 -14.960 -0.437 -1.681
162 H ARG 61 H ARG 61 -12.661 -0.385 2.319
163 HA ARG 61 HA ARG 61 -12.327 2.008 3.994
164 1HB ARG 61 2HB ARG 61 -12.622 -0.482 4.777
165 2HB ARG 61 1HB ARG 61 -10.929 -0.687 4.347
166 1HG ARG 61 2HG ARG 61 -10.249 1.024 5.922
167 2HG ARG 61 1HG ARG 61 -11.920 1.484 6.225
168 1HD ARG 61 2HD ARG 61 -10.664 -1.201 6.895
169 2HD ARG 61 1HD ARG 61 -11.119 0.048 8.052
170 HE ARG 61 HE ARG 61 -13.471 -0.472 6.669
171 1HH1 ARG 61 HH1 ARG 61 -11.074 -2.281 8.326
172 2HH1 ARG 61 HH1 ARG 61 -12.168 -3.498 8.892
173 1HH2 ARG 61 HH2 ARG 61 -14.947 -1.992 7.375
174 2HH2 ARG 61 HH2 ARG 61 -14.419 -3.331 8.340
175 H HIS 62 H HIS 62 -10.659 0.400 1.474
176 HA HIS 62 HA HIS 62 -8.044 1.585 2.189
177 1HB HIS 62 2HB HIS 62 -7.763 -0.601 1.285
178 2HB HIS 62 1HB HIS 62 -9.032 -0.369 0.111
179 HD1 HIS 62 HD1 HIS 62 -5.494 0.228 0.546
180 HD2 HIS 62 HD2 HIS 62 -8.333 1.095 -2.237
181 HE1 HIS 62 HE1 HIS 62 -4.242 1.011 -1.378
182 H LYS 63 H LYS 63 -10.596 1.924 -0.213
183 HA LYS 63 HA LYS 63 -9.227 3.748 -1.909
184 1HB LYS 63 2HB LYS 63 -11.375 2.541 -2.446
185 2HB LYS 63 1HB LYS 63 -12.214 3.603 -1.325
186 1HG LYS 63 2HG LYS 63 -11.422 5.574 -2.674
187 2HG LYS 63 1HG LYS 63 -10.711 4.458 -3.826
188 1HD LYS 63 2HD LYS 63 -13.638 4.225 -3.077
189 2HD LYS 63 1HD LYS 63 -13.124 5.394 -4.286
190 1HE LYS 63 2HE LYS 63 -12.664 2.393 -4.380
191 2HE LYS 63 1HE LYS 63 -13.750 3.316 -5.407
192 1HZ LYS 63 1HZ LYS 63 -11.554 4.614 -5.926
193 2HZ LYS 63 3HZ LYS 63 -10.835 3.145 -5.468
194 3HZ LYS 63 2HZ LYS 63 -11.949 3.183 -6.750
195 H LYS 64 H LYS 64 -10.928 4.236 1.111
196 HA LYS 64 HA LYS 64 -11.111 7.116 0.831
197 1HB LYS 64 2HB LYS 64 -12.450 5.619 2.459
198 2HB LYS 64 1HB LYS 64 -10.989 5.503 3.432
199 1HG LYS 64 2HG LYS 64 -11.000 7.830 3.936
200 2HG LYS 64 1HG LYS 64 -12.109 8.199 2.624
201 1HD LYS 64 2HD LYS 64 -13.315 8.269 4.761
202 2HD LYS 64 1HD LYS 64 -13.895 6.914 3.800
203 1HE LYS 64 2HE LYS 64 -13.401 6.402 6.258
204 2HE LYS 64 1HE LYS 64 -12.635 5.336 5.089
205 1HZ LYS 64 1HZ LYS 64 -11.231 7.730 6.071
206 2HZ LYS 64 3HZ LYS 64 -11.238 6.300 6.985
207 3HZ LYS 64 2HZ LYS 64 -10.583 6.302 5.419
208 H SER 65 H SER 65 -8.482 5.218 0.949
209 HA SER 65 HA SER 65 -6.870 6.961 2.753
210 1HB SER 65 2HB SER 65 -5.893 4.571 1.104
211 2HB SER 65 1HB SER 65 -5.198 5.220 2.603
212 HG SER 65 HG SER 65 -7.745 4.013 2.254
213 H HIS 66 H HIS 66 -7.610 6.575 -0.574
214 HA HIS 66 HA HIS 66 -5.109 7.685 -1.584
215 1HB HIS 66 2HB HIS 66 -7.849 7.048 -2.757
216 2HB HIS 66 1HB HIS 66 -6.716 8.017 -3.696
217 HD1 HIS 66 HD1 HIS 66 -4.238 6.728 -3.573
218 HD2 HIS 66 HD2 HIS 66 -7.546 4.407 -3.332
219 HE1 HIS 66 HE1 HIS 66 -3.476 4.503 -4.145
220 H GLN 67 H GLN 67 -6.631 9.151 0.487
221 HA GLN 67 HA GLN 67 -7.810 11.475 -0.723
222 1HB GLN 67 2HB GLN 67 -7.706 10.473 1.835
223 2HB GLN 67 1HB GLN 67 -6.462 11.708 1.984
224 1HG GLN 67 2HG GLN 67 -8.215 13.300 0.888
225 2HG GLN 67 1HG GLN 67 -9.392 12.053 1.290
226 1HE2 GLN 67 2HE2 GLN 67 -9.116 12.579 4.832
227 2HE2 GLN 67 1HE2 GLN 67 -9.476 11.404 3.662
228 H GLU 68 H GLU 68 -4.840 10.489 -1.251
229 HA GLU 68 HA GLU 68 -2.846 11.513 -1.899
230 1HB GLU 68 2HB GLU 68 -4.430 14.121 -1.912
231 2HB GLU 68 1HB GLU 68 -3.085 13.669 -2.953
232 1HG GLU 68 2HG GLU 68 -4.601 11.752 -3.792
233 2HG GLU 68 1HG GLU 68 -5.923 12.614 -3.007
234 H LYS 69 H LYS 69 -1.604 11.342 -0.097
235 HA LYS 69 HA LYS 69 -1.473 13.780 1.658
236 1HB LYS 69 2HB LYS 69 -1.075 10.895 2.612
237 2HB LYS 69 1HB LYS 69 -1.136 12.329 3.616
238 1HG LYS 69 2HG LYS 69 -3.493 11.470 1.899
239 2HG LYS 69 1HG LYS 69 -3.273 10.876 3.533
240 1HD LYS 69 2HD LYS 69 -3.468 13.823 2.786
241 2HD LYS 69 1HD LYS 69 -4.784 12.869 3.440
242 1HE LYS 69 2HE LYS 69 -2.935 12.334 5.340
243 2HE LYS 69 1HE LYS 69 -2.341 13.910 4.823
244 1HZ LYS 69 3HZ LYS 69 -5.162 13.402 5.556
245 2HZ LYS 69 2HZ LYS 69 -3.992 13.944 6.660
246 3HZ LYS 69 1HZ LYS 69 -4.403 14.901 5.320
247 H ALA 70 H ALA 70 0.342 14.574 0.659
248 HA ALA 70 HA ALA 70 2.852 13.391 1.496
249 1HB ALA 70 1HB ALA 70 2.057 13.317 -1.457
250 2HB ALA 70 3HB ALA 70 3.710 13.091 -0.892
251 3HB ALA 70 2HB ALA 70 2.460 11.935 -0.443
No H/Q in entry = 251
Start of MODEL 12
1 1H ASP 39 2H ASP 39 -7.328 -14.072 -7.056
2 2H ASP 39 1H ASP 39 -7.915 -15.503 -6.355
3 3H ASP 39 3H ASP 39 -8.054 -15.259 -8.029
4 HA ASP 39 HA ASP 39 -9.879 -14.031 -7.866
5 1HB ASP 39 2HB ASP 39 -10.376 -16.004 -6.377
6 2HB ASP 39 1HB ASP 39 -9.786 -15.089 -4.993
7 H ARG 40 H ARG 40 -9.460 -11.899 -8.030
8 HA ARG 40 HA ARG 40 -9.408 -10.350 -5.487
9 1HB ARG 40 2HB ARG 40 -7.479 -9.696 -7.760
10 2HB ARG 40 1HB ARG 40 -7.445 -9.099 -6.105
11 1HG ARG 40 2HG ARG 40 -7.009 -11.461 -5.336
12 2HG ARG 40 1HG ARG 40 -6.872 -11.934 -7.026
13 1HD ARG 40 2HD ARG 40 -5.107 -10.059 -7.232
14 2HD ARG 40 1HD ARG 40 -5.094 -10.044 -5.468
15 HE ARG 40 HE ARG 40 -4.723 -12.702 -6.002
16 1HH1 ARG 40 HH2 ARG 40 -2.962 -9.868 -6.065
17 2HH1 ARG 40 HH2 ARG 40 -1.584 -10.513 -6.892
18 1HH2 ARG 40 HH1 ARG 40 -3.168 -13.567 -7.568
19 2HH2 ARG 40 HH1 ARG 40 -1.703 -12.663 -7.766
20 HA PRO 41 HA PRO 41 -12.094 -8.690 -8.936
21 1HB PRO 41 2HB PRO 41 -14.255 -8.384 -6.967
22 2HB PRO 41 1HB PRO 41 -14.219 -9.451 -8.377
23 1HG PRO 41 2HG PRO 41 -13.973 -10.218 -5.587
24 2HG PRO 41 1HG PRO 41 -13.901 -11.281 -7.000
25 1HD PRO 41 1HD PRO 41 -11.696 -10.411 -5.295
26 2HD PRO 41 2HD PRO 41 -11.635 -11.542 -6.659
27 H TYR 42 H TYR 42 -11.096 -7.781 -5.770
28 HA TYR 42 HA TYR 42 -11.792 -4.903 -6.293
29 1HB TYR 42 2HB TYR 42 -11.069 -6.380 -3.687
30 2HB TYR 42 1HB TYR 42 -11.354 -4.642 -3.810
31 HD1 TYR 42 HD2 TYR 42 -13.602 -3.818 -4.647
32 HD2 TYR 42 HD1 TYR 42 -12.935 -7.872 -3.562
33 HE1 TYR 42 HE2 TYR 42 -16.019 -4.163 -4.464
34 HE2 TYR 42 HE1 TYR 42 -15.352 -8.220 -3.380
35 HH TYR 42 HH TYR 42 -17.532 -6.711 -4.668
36 H SER 43 H SER 43 -9.927 -5.130 -7.795
37 HA SER 43 HA SER 43 -7.286 -4.919 -6.382
38 1HB SER 43 2HB SER 43 -7.414 -6.464 -8.333
39 2HB SER 43 1HB SER 43 -7.969 -5.131 -9.358
40 HG SER 43 HG SER 43 -6.060 -4.110 -9.097
41 H CYS 44 H CYS 44 -7.644 -2.801 -5.552
42 HA CYS 44 HA CYS 44 -8.486 -0.547 -6.934
43 1HB CYS 44 2HB CYS 44 -7.850 -0.507 -4.571
44 2HB CYS 44 1HB CYS 44 -6.189 -0.865 -4.971
45 H ASP 45 H ASP 45 -7.311 1.173 -7.946
46 HA ASP 45 HA ASP 45 -4.631 0.646 -9.006
47 1HB ASP 45 2HB ASP 45 -7.135 0.570 -10.759
48 2HB ASP 45 1HB ASP 45 -5.530 0.861 -11.425
49 H HIS 46 H HIS 46 -5.571 2.684 -7.402
50 HA HIS 46 HA HIS 46 -6.260 4.992 -9.031
51 1HB HIS 46 2HB HIS 46 -7.107 5.290 -6.862
52 2HB HIS 46 1HB HIS 46 -5.830 4.333 -6.133
53 HD1 HIS 46 HD1 HIS 46 -6.709 7.748 -6.823
54 HD2 HIS 46 HD2 HIS 46 -3.393 5.762 -5.608
55 HE1 HIS 46 HE1 HIS 46 -5.246 9.474 -5.958
56 HA PRO 47 HA PRO 47 -2.209 6.243 -10.277
57 1HB PRO 47 2HB PRO 47 -2.515 9.069 -9.519
58 2HB PRO 47 1HB PRO 47 -2.612 8.365 -11.138
59 1HG PRO 47 2HG PRO 47 -4.817 9.283 -9.426
60 2HG PRO 47 1HG PRO 47 -4.895 8.741 -11.108
61 1HD PRO 47 1HD PRO 47 -5.841 7.298 -8.830
62 2HD PRO 47 2HD PRO 47 -5.667 6.664 -10.474
63 H GLY 48 H GLY 48 -0.760 5.376 -8.857
64 1HA GLY 48 2HA GLY 48 1.081 5.978 -7.325
65 2HA GLY 48 1HA GLY 48 -0.030 7.034 -6.457
66 H CYS 49 H CYS 49 -0.656 3.702 -7.518
67 HA CYS 49 HA CYS 49 -0.100 2.510 -4.957
68 1HB CYS 49 2HB CYS 49 -1.976 3.708 -4.115
69 2HB CYS 49 1HB CYS 49 -2.905 3.450 -5.570
70 H ASP 50 H ASP 50 -0.996 0.344 -4.737
71 HA ASP 50 HA ASP 50 -2.187 -0.941 -7.067
72 1HB ASP 50 2HB ASP 50 0.779 -1.249 -6.413
73 2HB ASP 50 1HB ASP 50 -0.097 -2.513 -7.274
74 H LYS 51 H LYS 51 -2.490 -0.688 -4.095
75 HA LYS 51 HA LYS 51 -1.835 -3.204 -2.878
76 1HB LYS 51 2HB LYS 51 -3.977 -1.119 -2.246
77 2HB LYS 51 1HB LYS 51 -3.678 -2.518 -1.222
78 1HG LYS 51 2HG LYS 51 -1.126 -1.602 -1.377
79 2HG LYS 51 1HG LYS 51 -1.958 -0.085 -1.676
80 1HD LYS 51 2HD LYS 51 -1.843 -0.040 0.665
81 2HD LYS 51 1HD LYS 51 -3.407 -0.815 0.451
82 1HE LYS 51 2HE LYS 51 -2.197 -3.052 0.540
83 2HE LYS 51 1HE LYS 51 -0.754 -2.169 1.023
84 1HZ LYS 51 1HZ LYS 51 -3.068 -1.451 2.551
85 2HZ LYS 51 3HZ LYS 51 -2.676 -3.098 2.690
86 3HZ LYS 51 2HZ LYS 51 -1.521 -1.914 3.075
87 H ALA 52 H ALA 52 -2.655 -5.135 -3.255
88 HA ALA 52 HA ALA 52 -5.171 -5.393 -4.812
89 1HB ALA 52 1HB ALA 52 -3.049 -7.375 -3.858
90 2HB ALA 52 3HB ALA 52 -4.504 -7.877 -4.713
91 3HB ALA 52 2HB ALA 52 -3.330 -6.832 -5.509
92 H PHE 53 H PHE 53 -6.711 -7.087 -4.141
93 HA PHE 53 HA PHE 53 -6.866 -7.653 -1.246
94 1HB PHE 53 2HB PHE 53 -8.731 -5.749 -2.703
95 2HB PHE 53 1HB PHE 53 -9.260 -6.569 -1.255
96 HD1 PHE 53 HD2 PHE 53 -7.756 -6.305 0.843
97 HD2 PHE 53 HD1 PHE 53 -7.394 -3.796 -2.581
98 HE1 PHE 53 HE2 PHE 53 -6.594 -4.612 2.196
99 HE2 PHE 53 HE1 PHE 53 -6.232 -2.113 -1.224
100 HZ PHE 53 HZ PHE 53 -5.834 -2.517 1.160
101 H VAL 54 H VAL 54 -9.431 -8.402 -0.985
102 HA VAL 54 HA VAL 54 -10.007 -10.313 -3.221
103 HB VAL 54 HB VAL 54 -9.959 -11.016 -0.239
104 1HG1 VAL 54 3HG1 VAL 54 -10.443 -12.649 -2.754
105 2HG1 VAL 54 2HG1 VAL 54 -10.205 -13.353 -1.158
106 3HG1 VAL 54 1HG1 VAL 54 -11.603 -12.329 -1.468
107 1HG2 VAL 54 1HG2 VAL 54 -8.028 -11.656 -2.492
108 2HG2 VAL 54 3HG2 VAL 54 -7.679 -10.737 -1.032
109 3HG2 VAL 54 2HG2 VAL 54 -8.007 -12.463 -0.927
110 H ARG 55 H ARG 55 -11.122 -8.864 -0.177
111 HA ARG 55 HA ARG 55 -13.955 -9.321 -1.023
112 1HB ARG 55 2HB ARG 55 -12.639 -8.427 1.593
113 2HB ARG 55 1HB ARG 55 -14.383 -8.404 1.360
114 1HG ARG 55 2HG ARG 55 -14.183 -10.876 0.692
115 2HG ARG 55 1HG ARG 55 -12.538 -10.807 1.313
116 1HD ARG 55 2HD ARG 55 -13.560 -9.862 3.478
117 2HD ARG 55 1HD ARG 55 -15.120 -10.369 2.832
118 HE ARG 55 HE ARG 55 -14.509 -12.614 3.263
119 1HH1 ARG 55 HH2 ARG 55 -11.808 -10.510 3.133
120 2HH1 ARG 55 HH2 ARG 55 -10.695 -11.648 3.812
121 1HH2 ARG 55 HH1 ARG 55 -13.154 -14.110 4.232
122 2HH2 ARG 55 HH1 ARG 55 -11.476 -13.740 4.451
123 H ASN 56 H ASN 56 -15.331 -7.326 -0.021
124 HA ASN 56 HA ASN 56 -14.502 -5.036 -1.700
125 1HB ASN 56 2HB ASN 56 -16.902 -6.053 -1.504
126 2HB ASN 56 1HB ASN 56 -17.001 -5.221 0.046
127 1HD2 ASN 56 HD2 ASN 56 -17.958 -3.116 -3.107
128 2HD2 ASN 56 HD2 ASN 56 -18.150 -4.789 -2.894
129 H HIS 57 H HIS 57 -15.606 -5.463 1.672
130 HA HIS 57 HA HIS 57 -15.260 -2.955 2.724
131 1HB HIS 57 2HB HIS 57 -14.052 -5.394 4.108
132 2HB HIS 57 1HB HIS 57 -14.849 -4.014 4.860
133 HD1 HIS 57 HD1 HIS 57 -15.768 -7.055 4.909
134 HD2 HIS 57 HD2 HIS 57 -17.523 -4.078 2.789
135 HE1 HIS 57 HE1 HIS 57 -18.034 -7.824 4.531
136 H ASP 58 H ASP 58 -12.557 -5.307 2.574
137 HA ASP 58 HA ASP 58 -10.521 -3.658 3.505
138 1HB ASP 58 2HB ASP 58 -10.042 -5.345 1.015
139 2HB ASP 58 1HB ASP 58 -9.020 -5.162 2.439
140 H LEU 59 H LEU 59 -11.961 -3.678 0.287
141 HA LEU 59 HA LEU 59 -10.116 -1.722 -0.811
142 1HB LEU 59 2HB LEU 59 -11.989 -3.476 -1.866
143 2HB LEU 59 1HB LEU 59 -12.915 -1.987 -1.948
144 HG LEU 59 HG LEU 59 -11.695 -2.342 -4.052
145 1HD1 LEU 59 HD1 LEU 59 -11.974 -0.013 -3.093
146 2HD1 LEU 59 HD1 LEU 59 -10.321 -0.120 -2.505
147 3HD1 LEU 59 HD1 LEU 59 -10.642 -0.178 -4.232
148 1HD2 LEU 59 HD2 LEU 59 -9.718 -3.548 -2.585
149 2HD2 LEU 59 HD2 LEU 59 -9.454 -2.930 -4.211
150 3HD2 LEU 59 HD2 LEU 59 -8.978 -1.971 -2.819
151 H ILE 60 H ILE 60 -13.150 -1.593 0.943
152 HA ILE 60 HA ILE 60 -13.611 1.220 0.376
153 HB ILE 60 HB ILE 60 -14.663 -0.463 2.713
154 1HG1 ILE 60 2HG1 ILE 60 -15.753 -0.109 -0.105
155 2HG1 ILE 60 1HG1 ILE 60 -15.143 -1.599 0.600
156 1HG2 ILE 60 2HG2 ILE 60 -14.959 2.140 2.647
157 2HG2 ILE 60 1HG2 ILE 60 -15.992 1.878 1.247
158 3HG2 ILE 60 3HG2 ILE 60 -16.436 1.202 2.809
159 1HD1 ILE 60 HD1 ILE 60 -16.950 -1.227 2.439
160 2HD1 ILE 60 HD1 ILE 60 -17.665 -0.091 1.298
161 3HD1 ILE 60 HD1 ILE 60 -17.490 -1.785 0.860
162 H ARG 61 H ARG 61 -12.197 -0.624 3.024
163 HA ARG 61 HA ARG 61 -11.623 1.776 4.581
164 1HB ARG 61 2HB ARG 61 -10.593 -1.101 4.833
165 2HB ARG 61 1HB ARG 61 -10.375 0.151 6.047
166 1HG ARG 61 2HG ARG 61 -13.156 -0.546 5.065
167 2HG ARG 61 1HG ARG 61 -12.385 -1.534 6.299
168 1HD ARG 61 2HD ARG 61 -12.009 0.551 7.666
169 2HD ARG 61 1HD ARG 61 -12.940 1.451 6.469
170 HE ARG 61 HE ARG 61 -14.728 -0.475 7.081
171 1HH1 ARG 61 HH2 ARG 61 -13.762 -1.410 9.524
172 2HH1 ARG 61 HH2 ARG 61 -14.269 -0.264 10.719
173 1HH2 ARG 61 HH1 ARG 61 -14.887 2.239 8.344
174 2HH2 ARG 61 HH1 ARG 61 -14.923 1.858 10.033
175 H HIS 62 H HIS 62 -10.383 0.601 1.798
176 HA HIS 62 HA HIS 62 -7.596 1.513 2.405
177 1HB HIS 62 2HB HIS 62 -7.489 -0.745 1.563
178 2HB HIS 62 1HB HIS 62 -8.717 -0.420 0.362
179 HD1 HIS 62 HD1 HIS 62 -5.173 0.138 0.953
180 HD2 HIS 62 HD2 HIS 62 -7.869 0.841 -1.988
181 HE1 HIS 62 HE1 HIS 62 -3.861 1.024 -0.885
182 H LYS 63 H LYS 63 -10.120 1.633 -0.094
183 HA LYS 63 HA LYS 63 -8.827 3.586 -1.747
184 1HB LYS 63 2HB LYS 63 -10.791 2.175 -2.450
185 2HB LYS 63 1HB LYS 63 -11.820 3.053 -1.328
186 1HG LYS 63 2HG LYS 63 -11.404 5.150 -2.543
187 2HG LYS 63 1HG LYS 63 -10.294 4.322 -3.630
188 1HD LYS 63 2HD LYS 63 -12.120 2.890 -4.440
189 2HD LYS 63 1HD LYS 63 -13.234 3.625 -3.293
190 1HE LYS 63 2HE LYS 63 -12.590 5.879 -4.427
191 2HE LYS 63 1HE LYS 63 -11.942 4.879 -5.723
192 1HZ LYS 63 2HZ LYS 63 -14.294 3.753 -5.474
193 2HZ LYS 63 1HZ LYS 63 -14.708 5.297 -4.899
194 3HZ LYS 63 3HZ LYS 63 -14.050 5.117 -6.455
195 H LYS 64 H LYS 64 -10.565 3.850 1.239
196 HA LYS 64 HA LYS 64 -11.649 6.390 1.242
197 1HB LYS 64 2HB LYS 64 -11.063 6.496 3.643
198 2HB LYS 64 1HB LYS 64 -11.523 4.849 3.232
199 1HG LYS 64 2HG LYS 64 -9.031 4.393 2.854
200 2HG LYS 64 1HG LYS 64 -8.727 5.951 3.612
201 1HD LYS 64 2HD LYS 64 -10.154 3.577 4.856
202 2HD LYS 64 1HD LYS 64 -8.589 4.221 5.327
203 1HE LYS 64 2HE LYS 64 -9.890 6.456 5.723
204 2HE LYS 64 1HE LYS 64 -11.325 5.437 5.721
205 1HZ LYS 64 1HZ LYS 64 -8.964 4.997 7.460
206 2HZ LYS 64 3HZ LYS 64 -10.375 5.807 7.943
207 3HZ LYS 64 2HZ LYS 64 -10.444 4.165 7.518
208 H SER 65 H SER 65 -8.314 5.591 0.854
209 HA SER 65 HA SER 65 -7.356 8.282 1.542
210 1HB SER 65 2HB SER 65 -5.178 7.313 0.498
211 2HB SER 65 1HB SER 65 -5.811 6.398 1.880
212 HG SER 65 HG SER 65 -5.558 4.925 0.262
213 H HIS 66 H HIS 66 -8.104 6.452 -1.387
214 HA HIS 66 HA HIS 66 -7.132 8.598 -3.141
215 1HB HIS 66 2HB HIS 66 -8.946 6.239 -3.831
216 2HB HIS 66 1HB HIS 66 -7.964 7.174 -4.949
217 HD1 HIS 66 HD1 HIS 66 -5.350 7.086 -3.497
218 HD2 HIS 66 HD2 HIS 66 -7.719 3.825 -3.831
219 HE1 HIS 66 HE1 HIS 66 -3.831 5.197 -3.370
220 H GLN 67 H GLN 67 -9.469 8.991 -1.140
221 HA GLN 67 HA GLN 67 -11.195 10.395 -3.136
222 1HB GLN 67 2HB GLN 67 -12.057 7.988 -2.333
223 2HB GLN 67 1HB GLN 67 -12.528 8.842 -0.876
224 1HG GLN 67 2HG GLN 67 -13.642 10.550 -2.523
225 2HG GLN 67 1HG GLN 67 -13.505 9.255 -3.704
226 1HE2 GLN 67 2HE2 GLN 67 -15.489 7.419 -0.824
227 2HE2 GLN 67 1HE2 GLN 67 -13.801 7.558 -0.930
228 H GLU 68 H GLU 68 -11.714 9.808 0.351
229 HA GLU 68 HA GLU 68 -12.197 11.401 2.023
230 1HB GLU 68 2HB GLU 68 -9.714 11.305 2.039
231 2HB GLU 68 1HB GLU 68 -9.639 12.505 0.754
232 1HG GLU 68 2HG GLU 68 -10.552 14.217 2.177
233 2HG GLU 68 1HG GLU 68 -11.000 13.042 3.410
234 H LYS 69 H LYS 69 -14.111 12.347 1.223
235 HA LYS 69 HA LYS 69 -13.783 14.890 -0.351
236 1HB LYS 69 2HB LYS 69 -16.228 13.131 0.217
237 2HB LYS 69 1HB LYS 69 -16.291 14.642 -0.682
238 1HG LYS 69 2HG LYS 69 -14.294 13.389 -2.075
239 2HG LYS 69 1HG LYS 69 -15.175 11.976 -1.508
240 1HD LYS 69 2HD LYS 69 -16.472 14.303 -2.975
241 2HD LYS 69 1HD LYS 69 -15.952 12.816 -3.755
242 1HE LYS 69 2HE LYS 69 -17.880 12.843 -1.414
243 2HE LYS 69 1HE LYS 69 -18.413 12.896 -3.086
244 1HZ LYS 69 2HZ LYS 69 -16.526 10.841 -2.782
245 2HZ LYS 69 1HZ LYS 69 -17.724 10.666 -1.593
246 3HZ LYS 69 3HZ LYS 69 -18.158 10.729 -3.234
247 H ALA 70 H ALA 70 -16.104 16.156 0.287
248 HA ALA 70 HA ALA 70 -16.761 17.822 1.817
249 1HB ALA 70 2HB ALA 70 -18.004 15.713 2.524
250 2HB ALA 70 1HB ALA 70 -16.720 15.403 3.689
251 3HB ALA 70 3HB ALA 70 -17.730 16.836 3.852
No H/Q in entry = 251
Start of MODEL 13
1 1H ASP 39 1H ASP 39 -7.775 -13.912 -7.531
2 2H ASP 39 3H ASP 39 -6.714 -15.050 -8.211
3 3H ASP 39 2H ASP 39 -7.961 -15.562 -7.177
4 HA ASP 39 HA ASP 39 -6.806 -15.178 -5.349
5 1HB ASP 39 2HB ASP 39 -4.524 -14.656 -7.326
6 2HB ASP 39 1HB ASP 39 -4.351 -15.205 -5.662
7 H ARG 40 H ARG 40 -7.290 -13.429 -4.200
8 HA ARG 40 HA ARG 40 -7.365 -11.184 -3.512
9 1HB ARG 40 2HB ARG 40 -4.541 -11.551 -4.603
10 2HB ARG 40 1HB ARG 40 -5.041 -10.055 -3.820
11 1HG ARG 40 2HG ARG 40 -5.456 -11.151 -1.745
12 2HG ARG 40 1HG ARG 40 -5.447 -12.745 -2.489
13 1HD ARG 40 2HD ARG 40 -2.982 -10.990 -2.575
14 2HD ARG 40 1HD ARG 40 -3.322 -12.009 -1.177
15 HE ARG 40 HE ARG 40 -3.560 -13.628 -3.501
16 1HH1 ARG 40 HH2 ARG 40 -1.790 -13.814 -0.948
17 2HH1 ARG 40 HH2 ARG 40 -0.222 -13.954 -1.669
18 1HH2 ARG 40 HH1 ARG 40 -1.363 -12.928 -4.822
19 2HH2 ARG 40 HH1 ARG 40 0.027 -13.438 -3.921
20 HA PRO 41 HA PRO 41 -8.009 -9.684 -7.852
21 1HB PRO 41 2HB PRO 41 -10.820 -9.239 -7.465
22 2HB PRO 41 1HB PRO 41 -10.098 -10.602 -8.312
23 1HG PRO 41 2HG PRO 41 -11.368 -10.570 -5.642
24 2HG PRO 41 1HG PRO 41 -10.922 -11.965 -6.633
25 1HD PRO 41 1HD PRO 41 -9.526 -10.956 -4.306
26 2HD PRO 41 2HD PRO 41 -9.032 -12.301 -5.350
27 H TYR 42 H TYR 42 -10.606 -8.224 -6.005
28 HA TYR 42 HA TYR 42 -10.769 -5.712 -6.255
29 1HB TYR 42 2HB TYR 42 -10.043 -6.975 -3.573
30 2HB TYR 42 1HB TYR 42 -10.368 -5.246 -3.676
31 HD1 TYR 42 HD2 TYR 42 -12.556 -4.521 -4.849
32 HD2 TYR 42 HD1 TYR 42 -11.880 -8.474 -3.440
33 HE1 TYR 42 HE2 TYR 42 -14.968 -4.936 -4.874
34 HE2 TYR 42 HE1 TYR 42 -14.295 -8.891 -3.465
35 HH TYR 42 HH TYR 42 -16.598 -6.356 -4.408
36 H SER 43 H SER 43 -8.864 -5.452 -7.646
37 HA SER 43 HA SER 43 -6.484 -4.345 -6.199
38 1HB SER 43 2HB SER 43 -7.039 -5.043 -9.136
39 2HB SER 43 1HB SER 43 -5.540 -4.263 -8.593
40 HG SER 43 HG SER 43 -4.987 -6.264 -8.163
41 H CYS 44 H CYS 44 -7.442 -2.413 -5.458
42 HA CYS 44 HA CYS 44 -8.982 -0.555 -6.817
43 1HB CYS 44 2HB CYS 44 -8.460 0.117 -4.650
44 2HB CYS 44 1HB CYS 44 -6.799 -0.380 -4.778
45 H ASP 45 H ASP 45 -8.544 1.312 -8.043
46 HA ASP 45 HA ASP 45 -5.989 1.188 -9.639
47 1HB ASP 45 2HB ASP 45 -7.504 2.193 -11.494
48 2HB ASP 45 1HB ASP 45 -7.811 0.505 -11.093
49 H HIS 46 H HIS 46 -6.139 2.716 -7.333
50 HA HIS 46 HA HIS 46 -6.982 5.405 -7.913
51 1HB HIS 46 2HB HIS 46 -6.798 4.645 -5.589
52 2HB HIS 46 1HB HIS 46 -5.126 4.161 -5.825
53 HD1 HIS 46 HD1 HIS 46 -7.151 7.143 -5.323
54 HD2 HIS 46 HD2 HIS 46 -3.236 6.214 -5.713
55 HE1 HIS 46 HE1 HIS 46 -5.975 9.151 -4.656
56 HA PRO 47 HA PRO 47 -3.686 6.713 -10.577
57 1HB PRO 47 2HB PRO 47 -3.279 9.188 -8.946
58 2HB PRO 47 1HB PRO 47 -3.784 9.040 -10.634
59 1HG PRO 47 2HG PRO 47 -5.482 9.644 -8.399
60 2HG PRO 47 1HG PRO 47 -6.012 9.274 -10.046
61 1HD PRO 47 1HD PRO 47 -6.301 7.609 -7.688
62 2HD PRO 47 2HD PRO 47 -6.824 7.234 -9.336
63 H GLY 48 H GLY 48 -2.197 5.158 -9.975
64 1HA GLY 48 2HA GLY 48 0.091 4.762 -9.360
65 2HA GLY 48 1HA GLY 48 0.022 6.142 -8.268
66 H CYS 49 H CYS 49 -1.315 2.859 -8.695
67 HA CYS 49 HA CYS 49 -0.720 2.268 -5.873
68 1HB CYS 49 2HB CYS 49 -2.921 3.395 -5.762
69 2HB CYS 49 1HB CYS 49 -3.565 2.304 -6.958
70 H ASP 50 H ASP 50 -1.199 0.065 -5.303
71 HA ASP 50 HA ASP 50 -1.936 -1.854 -7.358
72 1HB ASP 50 2HB ASP 50 0.979 -1.363 -6.612
73 2HB ASP 50 1HB ASP 50 0.464 -2.973 -7.110
74 H LYS 51 H LYS 51 -2.384 -1.017 -4.496
75 HA LYS 51 HA LYS 51 -1.470 -3.288 -2.910
76 1HB LYS 51 2HB LYS 51 -2.108 -0.794 -2.190
77 2HB LYS 51 1HB LYS 51 -3.740 -1.440 -2.078
78 1HG LYS 51 2HG LYS 51 -3.030 -3.124 -0.468
79 2HG LYS 51 1HG LYS 51 -1.342 -2.694 -0.679
80 1HD LYS 51 2HD LYS 51 -3.489 -0.834 0.416
81 2HD LYS 51 1HD LYS 51 -2.317 -1.703 1.397
82 1HE LYS 51 2HE LYS 51 -1.905 0.676 -0.388
83 2HE LYS 51 1HE LYS 51 -1.178 0.317 1.172
84 1HZ LYS 51 2HZ LYS 51 -0.512 -1.201 -1.277
85 2HZ LYS 51 1HZ LYS 51 0.329 0.197 -0.806
86 3HZ LYS 51 3HZ LYS 51 0.328 -1.171 0.200
87 H ALA 52 H ALA 52 -2.289 -5.164 -3.753
88 HA ALA 52 HA ALA 52 -4.987 -5.524 -4.656
89 1HB ALA 52 3HB ALA 52 -2.950 -7.043 -5.082
90 2HB ALA 52 2HB ALA 52 -3.182 -7.666 -3.453
91 3HB ALA 52 1HB ALA 52 -4.438 -7.888 -4.665
92 H PHE 53 H PHE 53 -6.493 -7.090 -3.645
93 HA PHE 53 HA PHE 53 -6.461 -7.119 -0.671
94 1HB PHE 53 2HB PHE 53 -8.425 -5.604 -2.430
95 2HB PHE 53 1HB PHE 53 -8.975 -6.236 -0.885
96 HD1 PHE 53 HD1 PHE 53 -7.631 -5.577 1.215
97 HD2 PHE 53 HD2 PHE 53 -7.140 -3.612 -2.533
98 HE1 PHE 53 HE1 PHE 53 -6.562 -3.677 2.346
99 HE2 PHE 53 HE2 PHE 53 -6.074 -1.718 -1.397
100 HZ PHE 53 HZ PHE 53 -5.788 -1.745 1.042
101 H VAL 54 H VAL 54 -8.287 -8.383 0.215
102 HA VAL 54 HA VAL 54 -8.939 -10.678 -1.614
103 HB VAL 54 HB VAL 54 -8.886 -10.457 1.443
104 1HG1 VAL 54 1HG1 VAL 54 -9.563 -12.728 -0.446
105 2HG1 VAL 54 3HG1 VAL 54 -9.077 -13.011 1.223
106 3HG1 VAL 54 2HG1 VAL 54 -10.541 -12.094 0.875
107 1HG2 VAL 54 1HG2 VAL 54 -6.677 -10.462 0.134
108 2HG2 VAL 54 3HG2 VAL 54 -6.864 -11.727 1.344
109 3HG2 VAL 54 2HG2 VAL 54 -7.094 -12.099 -0.362
110 H ARG 55 H ARG 55 -10.359 -8.774 1.050
111 HA ARG 55 HA ARG 55 -13.056 -9.713 0.365
112 1HB ARG 55 2HB ARG 55 -12.094 -7.540 2.295
113 2HB ARG 55 1HB ARG 55 -13.733 -8.177 2.226
114 1HG ARG 55 2HG ARG 55 -13.025 -10.347 2.944
115 2HG ARG 55 1HG ARG 55 -11.330 -9.960 2.677
116 1HD ARG 55 2HD ARG 55 -11.267 -8.470 4.544
117 2HD ARG 55 1HD ARG 55 -13.025 -8.421 4.660
118 HE ARG 55 HE ARG 55 -12.889 -10.360 5.982
119 1HH1 ARG 55 HH2 ARG 55 -9.882 -9.632 4.606
120 2HH1 ARG 55 HH2 ARG 55 -9.177 -11.186 4.898
121 1HH2 ARG 55 HH1 ARG 55 -12.182 -12.549 6.085
122 2HH2 ARG 55 HH1 ARG 55 -10.515 -12.882 5.758
123 H ASN 56 H ASN 56 -14.700 -7.667 0.539
124 HA ASN 56 HA ASN 56 -14.009 -6.019 -1.863
125 1HB ASN 56 2HB ASN 56 -16.140 -7.389 -1.843
126 2HB ASN 56 1HB ASN 56 -16.698 -6.453 -0.459
127 1HD2 ASN 56 HD2 ASN 56 -18.114 -4.808 -3.460
128 2HD2 ASN 56 HD2 ASN 56 -18.302 -6.297 -2.666
129 H HIS 57 H HIS 57 -15.764 -5.581 1.221
130 HA HIS 57 HA HIS 57 -15.895 -2.800 1.225
131 1HB HIS 57 2HB HIS 57 -15.110 -4.398 3.709
132 2HB HIS 57 1HB HIS 57 -16.132 -2.965 3.627
133 HD1 HIS 57 HD1 HIS 57 -16.627 -6.247 4.183
134 HD2 HIS 57 HD2 HIS 57 -18.389 -3.742 1.526
135 HE1 HIS 57 HE1 HIS 57 -18.726 -7.320 3.626
136 H ASP 58 H ASP 58 -13.118 -4.840 1.961
137 HA ASP 58 HA ASP 58 -11.394 -2.978 3.139
138 1HB ASP 58 2HB ASP 58 -10.872 -5.177 1.081
139 2HB ASP 58 1HB ASP 58 -9.562 -4.277 1.842
140 H LEU 59 H LEU 59 -12.057 -3.507 -0.296
141 HA LEU 59 HA LEU 59 -10.263 -1.495 -1.284
142 1HB LEU 59 2HB LEU 59 -11.776 -3.457 -2.427
143 2HB LEU 59 1HB LEU 59 -12.879 -2.122 -2.702
144 HG LEU 59 HG LEU 59 -11.417 -2.406 -4.639
145 1HD1 LEU 59 HD1 LEU 59 -12.100 -0.086 -3.741
146 2HD1 LEU 59 HD1 LEU 59 -10.445 0.066 -3.169
147 3HD1 LEU 59 HD1 LEU 59 -10.768 -0.124 -4.887
148 1HD2 LEU 59 HD2 LEU 59 -9.467 -3.256 -2.907
149 2HD2 LEU 59 HD2 LEU 59 -9.111 -2.699 -4.536
150 3HD2 LEU 59 HD2 LEU 59 -8.913 -1.613 -3.170
151 H ILE 60 H ILE 60 -13.666 -1.398 -0.312
152 HA ILE 60 HA ILE 60 -14.077 1.323 -1.130
153 HB ILE 60 HB ILE 60 -15.480 -0.554 0.836
154 1HG1 ILE 60 2HG1 ILE 60 -17.265 -0.510 -0.809
155 2HG1 ILE 60 1HG1 ILE 60 -16.458 0.758 -1.722
156 1HG2 ILE 60 2HG2 ILE 60 -16.119 2.370 0.187
157 2HG2 ILE 60 1HG2 ILE 60 -17.313 1.274 0.871
158 3HG2 ILE 60 3HG2 ILE 60 -15.863 1.676 1.784
159 1HD1 ILE 60 HD1 ILE 60 -15.129 -1.907 -1.203
160 2HD1 ILE 60 HD1 ILE 60 -16.187 -1.656 -2.585
161 3HD1 ILE 60 HD1 ILE 60 -14.718 -0.704 -2.421
162 H ARG 61 H ARG 61 -12.823 -0.197 1.751
163 HA ARG 61 HA ARG 61 -12.743 2.359 3.223
164 1HB ARG 61 2HB ARG 61 -13.022 -0.181 4.110
165 2HB ARG 61 1HB ARG 61 -11.263 -0.150 4.121
166 1HG ARG 61 2HG ARG 61 -11.277 1.828 5.583
167 2HG ARG 61 1HG ARG 61 -13.032 1.911 5.500
168 1HD ARG 61 2HD ARG 61 -12.951 -0.552 6.415
169 2HD ARG 61 1HD ARG 61 -11.309 -0.132 6.902
170 HE ARG 61 HE ARG 61 -12.252 1.165 8.626
171 1HH1 ARG 61 HH2 ARG 61 -13.601 3.243 7.285
172 2HH1 ARG 61 HH2 ARG 61 -15.290 2.936 7.522
173 1HH2 ARG 61 HH1 ARG 61 -14.761 -0.410 8.423
174 2HH2 ARG 61 HH1 ARG 61 -15.963 0.814 8.184
175 H HIS 62 H HIS 62 -10.679 0.430 1.203
176 HA HIS 62 HA HIS 62 -8.226 1.796 2.077
177 1HB HIS 62 2HB HIS 62 -7.717 -0.422 1.400
178 2HB HIS 62 1HB HIS 62 -8.902 -0.402 0.123
179 HD1 HIS 62 HD1 HIS 62 -5.434 -0.034 0.572
180 HD2 HIS 62 HD2 HIS 62 -8.119 1.327 -2.159
181 HE1 HIS 62 HE1 HIS 62 -4.071 0.738 -1.280
182 H LYS 63 H LYS 63 -10.694 2.177 -0.315
183 HA LYS 63 HA LYS 63 -9.098 3.799 -2.123
184 1HB LYS 63 2HB LYS 63 -11.239 2.560 -2.726
185 2HB LYS 63 1HB LYS 63 -12.125 3.723 -1.754
186 1HG LYS 63 2HG LYS 63 -12.311 4.685 -3.890
187 2HG LYS 63 1HG LYS 63 -10.901 5.524 -3.264
188 1HD LYS 63 2HD LYS 63 -9.407 3.972 -4.429
189 2HD LYS 63 1HD LYS 63 -10.779 3.012 -4.969
190 1HE LYS 63 2HE LYS 63 -9.811 4.736 -6.637
191 2HE LYS 63 1HE LYS 63 -11.555 4.720 -6.414
192 1HZ LYS 63 2HZ LYS 63 -9.714 6.526 -4.954
193 2HZ LYS 63 1HZ LYS 63 -10.557 6.959 -6.364
194 3HZ LYS 63 3HZ LYS 63 -11.411 6.571 -4.948
195 H LYS 64 H LYS 64 -11.615 4.603 0.269
196 HA LYS 64 HA LYS 64 -11.228 7.434 -0.020
197 1HB LYS 64 2HB LYS 64 -12.409 5.690 2.189
198 2HB LYS 64 1HB LYS 64 -12.378 7.446 2.308
199 1HG LYS 64 2HG LYS 64 -13.566 7.551 0.082
200 2HG LYS 64 1HG LYS 64 -13.716 5.800 0.125
201 1HD LYS 64 2HD LYS 64 -14.698 7.436 2.479
202 2HD LYS 64 1HD LYS 64 -15.695 7.309 1.037
203 1HE LYS 64 2HE LYS 64 -14.578 4.913 2.529
204 2HE LYS 64 1HE LYS 64 -16.200 5.549 2.764
205 1HZ LYS 64 3HZ LYS 64 -16.065 5.298 0.093
206 2HZ LYS 64 2HZ LYS 64 -15.137 3.971 0.606
207 3HZ LYS 64 1HZ LYS 64 -16.739 4.146 1.143
208 H SER 65 H SER 65 -9.203 5.102 1.188
209 HA SER 65 HA SER 65 -8.067 6.690 3.387
210 1HB SER 65 2HB SER 65 -6.611 4.786 3.718
211 2HB SER 65 1HB SER 65 -8.096 4.044 3.093
212 HG SER 65 HG SER 65 -6.862 3.382 1.526
213 H HIS 66 H HIS 66 -7.411 6.082 -0.012
214 HA HIS 66 HA HIS 66 -4.767 6.905 -0.281
215 1HB HIS 66 2HB HIS 66 -7.259 7.142 -1.970
216 2HB HIS 66 1HB HIS 66 -5.916 8.168 -2.456
217 HD1 HIS 66 HD1 HIS 66 -3.672 6.753 -2.847
218 HD2 HIS 66 HD2 HIS 66 -7.036 4.541 -2.754
219 HE1 HIS 66 HE1 HIS 66 -3.038 4.606 -3.779
220 H GLN 67 H GLN 67 -7.418 8.753 0.867
221 HA GLN 67 HA GLN 67 -6.009 11.347 0.453
222 1HB GLN 67 2HB GLN 67 -8.739 10.580 1.609
223 2HB GLN 67 1HB GLN 67 -8.143 12.236 1.577
224 1HG GLN 67 2HG GLN 67 -7.802 11.932 -0.940
225 2HG GLN 67 1HG GLN 67 -8.712 10.432 -0.794
226 1HE2 GLN 67 2HE2 GLN 67 -10.791 13.732 -1.272
227 2HE2 GLN 67 1HE2 GLN 67 -9.201 13.461 -1.798
228 H GLU 68 H GLU 68 -6.821 9.036 2.944
229 HA GLU 68 HA GLU 68 -6.207 8.901 5.193
230 1HB GLU 68 2HB GLU 68 -3.943 9.196 3.931
231 2HB GLU 68 1HB GLU 68 -3.992 10.870 4.475
232 1HG GLU 68 2HG GLU 68 -4.171 10.098 6.824
233 2HG GLU 68 1HG GLU 68 -4.120 8.423 6.276
234 H LYS 69 H LYS 69 -7.773 9.881 6.339
235 HA LYS 69 HA LYS 69 -7.185 12.409 7.584
236 1HB LYS 69 2HB LYS 69 -9.068 13.709 6.620
237 2HB LYS 69 1HB LYS 69 -7.987 13.198 5.329
238 1HG LYS 69 2HG LYS 69 -9.517 11.145 5.073
239 2HG LYS 69 1HG LYS 69 -10.663 12.003 6.098
240 1HD LYS 69 2HD LYS 69 -10.576 13.934 4.504
241 2HD LYS 69 1HD LYS 69 -9.531 12.983 3.456
242 1HE LYS 69 2HE LYS 69 -11.731 12.665 2.593
243 2HE LYS 69 1HE LYS 69 -11.376 11.195 3.493
244 1HZ LYS 69 1HZ LYS 69 -12.511 12.303 5.423
245 2HZ LYS 69 3HZ LYS 69 -13.062 13.477 4.325
246 3HZ LYS 69 2HZ LYS 69 -13.515 11.852 4.130
247 H ALA 70 H ALA 70 -7.976 9.685 8.251
248 HA ALA 70 HA ALA 70 -9.965 10.357 10.262
249 1HB ALA 70 2HB ALA 70 -11.423 9.967 8.264
250 2HB ALA 70 1HB ALA 70 -10.693 8.381 8.040
251 3HB ALA 70 3HB ALA 70 -11.671 8.706 9.467
No H/Q in entry = 251
Start of MODEL 14
1 1H ASP 39 3H ASP 39 -7.228 -14.810 -5.721
2 2H ASP 39 2H ASP 39 -8.461 -15.976 -5.677
3 3H ASP 39 1H ASP 39 -7.443 -15.868 -7.032
4 HA ASP 39 HA ASP 39 -8.612 -14.263 -7.972
5 1HB ASP 39 2HB ASP 39 -10.376 -15.903 -6.960
6 2HB ASP 39 1HB ASP 39 -10.644 -14.673 -5.727
7 H ARG 40 H ARG 40 -8.589 -12.115 -8.033
8 HA ARG 40 HA ARG 40 -8.815 -10.561 -5.481
9 1HB ARG 40 2HB ARG 40 -6.539 -10.529 -7.514
10 2HB ARG 40 1HB ARG 40 -6.845 -9.136 -6.481
11 1HG ARG 40 2HG ARG 40 -6.381 -10.356 -4.497
12 2HG ARG 40 1HG ARG 40 -6.554 -11.909 -5.302
13 1HD ARG 40 2HD ARG 40 -4.507 -11.530 -6.579
14 2HD ARG 40 1HD ARG 40 -4.366 -9.895 -5.933
15 HE ARG 40 HE ARG 40 -4.452 -11.728 -3.746
16 1HH1 ARG 40 HH2 ARG 40 -2.511 -10.116 -6.019
17 2HH1 ARG 40 HH2 ARG 40 -1.011 -10.776 -5.459
18 1HH2 ARG 40 HH1 ARG 40 -2.577 -12.894 -3.146
19 2HH2 ARG 40 HH1 ARG 40 -1.049 -12.391 -3.790
20 HA PRO 41 HA PRO 41 -11.140 -8.796 -9.113
21 1HB PRO 41 2HB PRO 41 -13.547 -8.581 -7.490
22 2HB PRO 41 1HB PRO 41 -13.260 -9.704 -8.825
23 1HG PRO 41 2HG PRO 41 -13.359 -10.314 -5.970
24 2HG PRO 41 1HG PRO 41 -13.148 -11.447 -7.313
25 1HD PRO 41 1HD PRO 41 -11.124 -10.499 -5.436
26 2HD PRO 41 2HD PRO 41 -10.925 -11.678 -6.742
27 H TYR 42 H TYR 42 -10.900 -7.963 -5.715
28 HA TYR 42 HA TYR 42 -11.674 -5.160 -6.222
29 1HB TYR 42 2HB TYR 42 -10.740 -6.642 -3.699
30 2HB TYR 42 1HB TYR 42 -11.151 -4.927 -3.740
31 HD1 TYR 42 HD2 TYR 42 -13.458 -4.210 -4.402
32 HD2 TYR 42 HD1 TYR 42 -12.487 -8.291 -3.746
33 HE1 TYR 42 HE2 TYR 42 -15.842 -4.749 -4.260
34 HE2 TYR 42 HE1 TYR 42 -14.868 -8.835 -3.595
35 HH TYR 42 HH TYR 42 -17.318 -6.665 -4.537
36 H SER 43 H SER 43 -9.856 -5.208 -7.792
37 HA SER 43 HA SER 43 -7.220 -4.641 -6.488
38 1HB SER 43 2HB SER 43 -6.486 -4.586 -8.978
39 2HB SER 43 1HB SER 43 -7.094 -6.152 -8.411
40 HG SER 43 HG SER 43 -8.044 -4.949 -10.408
41 H CYS 44 H CYS 44 -7.737 -2.582 -5.626
42 HA CYS 44 HA CYS 44 -8.964 -0.422 -6.862
43 1HB CYS 44 2HB CYS 44 -8.195 -0.017 -4.683
44 2HB CYS 44 1HB CYS 44 -6.620 -0.698 -4.997
45 H ASP 45 H ASP 45 -8.083 1.447 -7.975
46 HA ASP 45 HA ASP 45 -5.623 0.889 -9.600
47 1HB ASP 45 2HB ASP 45 -7.668 0.199 -10.905
48 2HB ASP 45 1HB ASP 45 -8.319 1.824 -10.716
49 H HIS 46 H HIS 46 -5.728 2.661 -7.456
50 HA HIS 46 HA HIS 46 -6.239 5.343 -8.503
51 1HB HIS 46 2HB HIS 46 -6.591 4.710 -6.092
52 2HB HIS 46 1HB HIS 46 -4.862 4.415 -5.939
53 HD1 HIS 46 HD1 HIS 46 -7.056 7.257 -6.874
54 HD2 HIS 46 HD2 HIS 46 -3.452 6.580 -5.166
55 HE1 HIS 46 HE1 HIS 46 -6.267 9.453 -6.224
56 HA PRO 47 HA PRO 47 -2.186 5.724 -10.384
57 1HB PRO 47 2HB PRO 47 -2.013 8.605 -9.712
58 2HB PRO 47 1HB PRO 47 -2.238 7.859 -11.301
59 1HG PRO 47 2HG PRO 47 -4.242 9.208 -9.694
60 2HG PRO 47 1HG PRO 47 -4.479 8.422 -11.262
61 1HD PRO 47 1HD PRO 47 -5.390 7.487 -8.679
62 2HD PRO 47 2HD PRO 47 -5.581 6.675 -10.242
63 H GLY 48 H GLY 48 -0.278 5.238 -9.509
64 1HA GLY 48 2HA GLY 48 1.609 5.471 -8.063
65 2HA GLY 48 1HA GLY 48 0.697 6.619 -7.087
66 H CYS 49 H CYS 49 -1.115 3.839 -7.764
67 HA CYS 49 HA CYS 49 -0.369 2.636 -5.095
68 1HB CYS 49 2HB CYS 49 -2.631 3.778 -5.229
69 2HB CYS 49 1HB CYS 49 -3.087 2.637 -6.468
70 H ASP 50 H ASP 50 -0.880 0.383 -4.870
71 HA ASP 50 HA ASP 50 -1.278 -1.254 -7.250
72 1HB ASP 50 2HB ASP 50 1.452 -0.999 -5.894
73 2HB ASP 50 1HB ASP 50 1.018 -2.420 -6.843
74 H LYS 51 H LYS 51 -2.191 -0.755 -4.424
75 HA LYS 51 HA LYS 51 -1.552 -3.196 -2.973
76 1HB LYS 51 2HB LYS 51 -3.438 -0.843 -2.579
77 2HB LYS 51 1HB LYS 51 -3.634 -2.268 -1.568
78 1HG LYS 51 2HG LYS 51 -2.171 -0.973 -0.266
79 2HG LYS 51 1HG LYS 51 -1.038 -1.998 -1.127
80 1HD LYS 51 2HD LYS 51 -1.049 -0.050 -2.912
81 2HD LYS 51 1HD LYS 51 -1.697 0.914 -1.601
82 1HE LYS 51 2HE LYS 51 0.637 1.227 -1.407
83 2HE LYS 51 1HE LYS 51 0.296 -0.020 -0.210
84 1HZ LYS 51 1HZ LYS 51 0.727 -1.394 -2.533
85 2HZ LYS 51 3HZ LYS 51 1.893 -0.159 -2.567
86 3HZ LYS 51 2HZ LYS 51 1.820 -1.224 -1.244
87 H ALA 52 H ALA 52 -2.518 -5.104 -3.138
88 HA ALA 52 HA ALA 52 -4.969 -5.335 -4.841
89 1HB ALA 52 2HB ALA 52 -2.917 -6.765 -5.311
90 2HB ALA 52 1HB ALA 52 -3.121 -7.513 -3.730
91 3HB ALA 52 3HB ALA 52 -4.354 -7.725 -4.970
92 H PHE 53 H PHE 53 -6.580 -6.957 -4.150
93 HA PHE 53 HA PHE 53 -6.748 -7.490 -1.247
94 1HB PHE 53 2HB PHE 53 -8.619 -5.602 -2.720
95 2HB PHE 53 1HB PHE 53 -9.049 -6.324 -1.191
96 HD1 PHE 53 HD1 PHE 53 -7.269 -6.026 0.732
97 HD2 PHE 53 HD2 PHE 53 -7.379 -3.593 -2.766
98 HE1 PHE 53 HE1 PHE 53 -5.993 -4.280 1.895
99 HE2 PHE 53 HE2 PHE 53 -6.119 -1.849 -1.588
100 HZ PHE 53 HZ PHE 53 -5.424 -2.189 0.738
101 H VAL 54 H VAL 54 -9.220 -8.243 -0.870
102 HA VAL 54 HA VAL 54 -10.097 -9.984 -3.127
103 HB VAL 54 HB VAL 54 -9.543 -11.015 -0.293
104 1HG1 VAL 54 3HG1 VAL 54 -10.436 -12.351 -2.868
105 2HG1 VAL 54 2HG1 VAL 54 -9.910 -13.238 -1.441
106 3HG1 VAL 54 1HG1 VAL 54 -11.351 -12.229 -1.368
107 1HG2 VAL 54 2HG2 VAL 54 -8.003 -11.370 -2.886
108 2HG2 VAL 54 1HG2 VAL 54 -7.425 -10.577 -1.424
109 3HG2 VAL 54 3HG2 VAL 54 -7.711 -12.314 -1.430
110 H ARG 55 H ARG 55 -10.687 -8.629 0.075
111 HA ARG 55 HA ARG 55 -13.608 -9.233 -0.202
112 1HB ARG 55 2HB ARG 55 -11.957 -8.169 2.157
113 2HB ARG 55 1HB ARG 55 -13.682 -8.515 2.223
114 1HG ARG 55 2HG ARG 55 -11.775 -10.680 1.300
115 2HG ARG 55 1HG ARG 55 -11.928 -10.350 3.020
116 1HD ARG 55 2HD ARG 55 -14.252 -11.001 1.169
117 2HD ARG 55 1HD ARG 55 -13.506 -12.132 2.292
118 HE ARG 55 HE ARG 55 -15.341 -9.973 3.004
119 1HH1 ARG 55 HH1 ARG 55 -13.196 -9.301 4.775
120 2HH1 ARG 55 HH1 ARG 55 -13.370 -10.387 6.113
121 1HH2 ARG 55 HH2 ARG 55 -15.432 -12.584 4.321
122 2HH2 ARG 55 HH2 ARG 55 -14.670 -12.295 5.850
123 H ASN 56 H ASN 56 -15.024 -7.676 -0.649
124 HA ASN 56 HA ASN 56 -14.334 -5.187 -1.682
125 1HB ASN 56 2HB ASN 56 -16.656 -6.371 -1.617
126 2HB ASN 56 1HB ASN 56 -16.872 -5.608 -0.044
127 1HD2 ASN 56 HD2 ASN 56 -18.325 -3.088 -2.185
128 2HD2 ASN 56 HD2 ASN 56 -18.718 -4.521 -1.362
129 H HIS 57 H HIS 57 -15.422 -5.820 1.635
130 HA HIS 57 HA HIS 57 -15.374 -3.327 2.771
131 1HB HIS 57 2HB HIS 57 -15.845 -5.059 4.315
132 2HB HIS 57 1HB HIS 57 -14.547 -6.083 3.723
133 HD1 HIS 57 HD1 HIS 57 -12.355 -5.779 4.873
134 HD2 HIS 57 HD2 HIS 57 -15.051 -3.078 6.239
135 HE1 HIS 57 HE1 HIS 57 -11.304 -4.796 6.813
136 H ASP 58 H ASP 58 -12.410 -5.333 2.439
137 HA ASP 58 HA ASP 58 -10.600 -3.438 3.452
138 1HB ASP 58 2HB ASP 58 -10.274 -5.918 2.449
139 2HB ASP 58 1HB ASP 58 -9.849 -5.048 0.977
140 H LEU 59 H LEU 59 -11.747 -3.822 0.108
141 HA LEU 59 HA LEU 59 -10.274 -1.624 -0.981
142 1HB LEU 59 2HB LEU 59 -11.978 -3.599 -1.973
143 2HB LEU 59 1HB LEU 59 -13.035 -2.202 -2.092
144 HG LEU 59 HG LEU 59 -11.794 -2.521 -4.190
145 1HD1 LEU 59 HD1 LEU 59 -12.320 -0.204 -3.369
146 2HD1 LEU 59 HD1 LEU 59 -10.702 -0.115 -2.688
147 3HD1 LEU 59 HD1 LEU 59 -10.914 -0.261 -4.426
148 1HD2 LEU 59 HD2 LEU 59 -9.700 -3.456 -2.690
149 2HD2 LEU 59 HD2 LEU 59 -9.505 -2.872 -4.339
150 3HD2 LEU 59 HD2 LEU 59 -9.131 -1.817 -2.984
151 H ILE 60 H ILE 60 -13.325 -1.845 0.753
152 HA ILE 60 HA ILE 60 -14.068 0.918 0.229
153 HB ILE 60 HB ILE 60 -15.023 -1.059 2.363
154 1HG1 ILE 60 2HG1 ILE 60 -16.250 -0.284 -0.314
155 2HG1 ILE 60 1HG1 ILE 60 -15.376 -1.776 -0.011
156 1HG2 ILE 60 1HG2 ILE 60 -16.218 1.575 1.319
157 2HG2 ILE 60 3HG2 ILE 60 -17.034 0.488 2.435
158 3HG2 ILE 60 2HG2 ILE 60 -15.570 1.317 2.936
159 1HD1 ILE 60 HD1 ILE 60 -17.149 -1.977 2.012
160 2HD1 ILE 60 HD1 ILE 60 -18.102 -0.948 0.944
161 3HD1 ILE 60 HD1 ILE 60 -17.551 -2.523 0.387
162 H ARG 61 H ARG 61 -12.088 -0.753 2.473
163 HA ARG 61 HA ARG 61 -11.926 1.653 4.251
164 1HB ARG 61 2HB ARG 61 -12.213 -0.871 5.061
165 2HB ARG 61 1HB ARG 61 -10.491 -1.005 4.723
166 1HG ARG 61 2HG ARG 61 -10.181 1.085 6.168
167 2HG ARG 61 1HG ARG 61 -11.856 0.886 6.663
168 1HD ARG 61 2HD ARG 61 -9.741 -1.281 6.929
169 2HD ARG 61 1HD ARG 61 -10.207 -0.197 8.237
170 HE ARG 61 HE ARG 61 -11.648 -2.531 7.499
171 1HH1 ARG 61 HH1 ARG 61 -13.767 -1.151 6.395
172 2HH1 ARG 61 HH1 ARG 61 -14.667 -0.477 7.712
173 1HH2 ARG 61 HH2 ARG 61 -12.015 -0.837 9.975
174 2HH2 ARG 61 HH2 ARG 61 -13.649 -0.293 9.793
175 H HIS 62 H HIS 62 -10.656 0.749 1.472
176 HA HIS 62 HA HIS 62 -7.912 1.752 2.142
177 1HB HIS 62 2HB HIS 62 -7.590 -0.545 1.506
178 2HB HIS 62 1HB HIS 62 -8.807 -0.445 0.255
179 HD1 HIS 62 HD1 HIS 62 -5.305 0.084 0.750
180 HD2 HIS 62 HD2 HIS 62 -8.037 1.040 -2.092
181 HE1 HIS 62 HE1 HIS 62 -3.981 0.890 -1.111
182 H LYS 63 H LYS 63 -10.615 1.825 -0.111
183 HA LYS 63 HA LYS 63 -9.270 3.557 -2.004
184 1HB LYS 63 2HB LYS 63 -11.147 2.171 -2.741
185 2HB LYS 63 1HB LYS 63 -12.210 2.885 -1.537
186 1HG LYS 63 2HG LYS 63 -12.217 5.004 -2.661
187 2HG LYS 63 1HG LYS 63 -10.861 4.545 -3.685
188 1HD LYS 63 2HD LYS 63 -12.212 2.909 -4.856
189 2HD LYS 63 1HD LYS 63 -13.543 3.128 -3.727
190 1HE LYS 63 2HE LYS 63 -13.781 5.478 -4.460
191 2HE LYS 63 1HE LYS 63 -12.443 5.266 -5.581
192 1HZ LYS 63 1HZ LYS 63 -14.848 3.553 -5.678
193 2HZ LYS 63 3HZ LYS 63 -14.764 5.035 -6.506
194 3HZ LYS 63 2HZ LYS 63 -13.671 3.789 -6.879
195 H LYS 64 H LYS 64 -11.747 4.142 0.492
196 HA LYS 64 HA LYS 64 -12.188 6.862 0.128
197 1HB LYS 64 2HB LYS 64 -11.686 5.554 2.846
198 2HB LYS 64 1HB LYS 64 -12.680 6.971 2.536
199 1HG LYS 64 2HG LYS 64 -13.219 4.169 1.501
200 2HG LYS 64 1HG LYS 64 -14.095 4.967 2.796
201 1HD LYS 64 2HD LYS 64 -14.531 6.842 0.997
202 2HD LYS 64 1HD LYS 64 -14.101 5.589 -0.164
203 1HE LYS 64 2HE LYS 64 -15.819 4.096 1.003
204 2HE LYS 64 1HE LYS 64 -16.366 5.540 1.846
205 1HZ LYS 64 3HZ LYS 64 -16.444 6.494 -0.563
206 2HZ LYS 64 2HZ LYS 64 -16.569 4.856 -0.995
207 3HZ LYS 64 1HZ LYS 64 -17.724 5.553 0.038
208 H SER 65 H SER 65 -9.265 5.342 1.206
209 HA SER 65 HA SER 65 -8.080 7.657 2.439
210 1HB SER 65 2HB SER 65 -6.940 5.118 1.168
211 2HB SER 65 1HB SER 65 -5.893 6.356 1.889
212 HG SER 65 HG SER 65 -6.490 4.928 3.505
213 H HIS 66 H HIS 66 -8.117 6.420 -0.863
214 HA HIS 66 HA HIS 66 -6.198 8.251 -1.934
215 1HB HIS 66 2HB HIS 66 -8.545 6.713 -3.133
216 2HB HIS 66 1HB HIS 66 -7.517 7.738 -4.130
217 HD1 HIS 66 HD1 HIS 66 -4.844 7.041 -3.177
218 HD2 HIS 66 HD2 HIS 66 -7.668 4.177 -3.549
219 HE1 HIS 66 HE1 HIS 66 -3.603 4.975 -3.457
220 H GLN 67 H GLN 67 -9.270 8.823 -0.676
221 HA GLN 67 HA GLN 67 -10.547 10.682 -2.255
222 1HB GLN 67 2HB GLN 67 -11.221 11.822 -0.133
223 2HB GLN 67 1HB GLN 67 -11.271 10.072 0.053
224 1HG GLN 67 2HG GLN 67 -8.899 10.219 0.977
225 2HG GLN 67 1HG GLN 67 -9.109 11.967 1.018
226 1HE2 GLN 67 2HE2 GLN 67 -10.163 10.507 4.321
227 2HE2 GLN 67 1HE2 GLN 67 -8.732 10.441 3.411
228 H GLU 68 H GLU 68 -7.550 11.187 -0.481
229 HA GLU 68 HA GLU 68 -5.900 12.823 -0.760
230 1HB GLU 68 2HB GLU 68 -6.897 12.603 -3.269
231 2HB GLU 68 1HB GLU 68 -7.516 14.216 -2.931
232 1HG GLU 68 2HG GLU 68 -5.232 14.984 -2.366
233 2HG GLU 68 1HG GLU 68 -4.605 13.367 -2.678
234 H LYS 69 H LYS 69 -9.268 13.819 -0.711
235 HA LYS 69 HA LYS 69 -10.266 15.829 0.053
236 1HB LYS 69 2HB LYS 69 -9.829 16.071 2.519
237 2HB LYS 69 1HB LYS 69 -10.036 14.387 2.073
238 1HG LYS 69 2HG LYS 69 -7.669 13.973 2.177
239 2HG LYS 69 1HG LYS 69 -7.302 15.688 2.284
240 1HD LYS 69 2HD LYS 69 -8.252 15.847 4.483
241 2HD LYS 69 1HD LYS 69 -8.965 14.242 4.358
242 1HE LYS 69 2HE LYS 69 -5.998 14.882 4.428
243 2HE LYS 69 1HE LYS 69 -6.927 14.132 5.718
244 1HZ LYS 69 3HZ LYS 69 -7.484 12.368 4.004
245 2HZ LYS 69 2HZ LYS 69 -6.211 13.014 3.083
246 3HZ LYS 69 1HZ LYS 69 -5.905 12.376 4.627
247 H ALA 70 H ALA 70 -9.198 17.656 1.997
248 HA ALA 70 HA ALA 70 -8.129 19.740 1.968
249 1HB ALA 70 1HB ALA 70 -6.170 18.123 2.252
250 2HB ALA 70 3HB ALA 70 -5.951 18.163 0.505
251 3HB ALA 70 2HB ALA 70 -5.727 19.629 1.453
No H/Q in entry = 251
Start of MODEL 15
1 1H ASP 39 3H ASP 39 -8.873 -13.443 -8.845
2 2H ASP 39 2H ASP 39 -8.134 -14.046 -10.251
3 3H ASP 39 1H ASP 39 -8.230 -15.015 -8.860
4 HA ASP 39 HA ASP 39 -6.408 -14.174 -7.977
5 1HB ASP 39 2HB ASP 39 -6.277 -12.856 -10.740
6 2HB ASP 39 1HB ASP 39 -4.914 -12.937 -9.626
7 H ARG 40 H ARG 40 -7.478 -12.891 -6.399
8 HA ARG 40 HA ARG 40 -8.067 -10.877 -5.329
9 1HB ARG 40 2HB ARG 40 -5.600 -10.047 -6.947
10 2HB ARG 40 1HB ARG 40 -6.261 -9.130 -5.599
11 1HG ARG 40 2HG ARG 40 -4.716 -10.374 -4.382
12 2HG ARG 40 1HG ARG 40 -6.020 -11.554 -4.366
13 1HD ARG 40 2HD ARG 40 -5.030 -12.549 -6.487
14 2HD ARG 40 1HD ARG 40 -3.659 -11.463 -6.284
15 HE ARG 40 HE ARG 40 -3.213 -12.612 -4.085
16 1HH1 ARG 40 HH1 ARG 40 -5.861 -14.046 -3.965
17 2HH1 ARG 40 HH1 ARG 40 -5.423 -15.658 -4.421
18 1HH2 ARG 40 HH2 ARG 40 -2.335 -14.661 -5.748
19 2HH2 ARG 40 HH2 ARG 40 -3.374 -16.015 -5.457
20 HA PRO 41 HA PRO 41 -10.054 -9.255 -9.241
21 1HB PRO 41 2HB PRO 41 -12.629 -9.397 -7.818
22 2HB PRO 41 1HB PRO 41 -12.132 -10.291 -9.258
23 1HG PRO 41 2HG PRO 41 -12.428 -11.342 -6.583
24 2HG PRO 41 1HG PRO 41 -11.820 -12.207 -8.002
25 1HD PRO 41 1HD PRO 41 -10.300 -11.201 -5.710
26 2HD PRO 41 2HD PRO 41 -9.718 -12.197 -7.055
27 H TYR 42 H TYR 42 -10.139 -8.441 -5.861
28 HA TYR 42 HA TYR 42 -11.336 -5.798 -6.334
29 1HB TYR 42 2HB TYR 42 -10.218 -7.240 -3.874
30 2HB TYR 42 1HB TYR 42 -10.638 -5.532 -3.818
31 HD1 TYR 42 HD1 TYR 42 -12.961 -4.794 -4.164
32 HD2 TYR 42 HD2 TYR 42 -11.979 -8.926 -4.073
33 HE1 TYR 42 HE1 TYR 42 -15.326 -5.342 -3.921
34 HE2 TYR 42 HE2 TYR 42 -14.353 -9.480 -3.820
35 HH TYR 42 HH TYR 42 -16.484 -8.631 -4.089
36 H SER 43 H SER 43 -9.573 -5.534 -7.952
37 HA SER 43 HA SER 43 -7.014 -4.574 -6.729
38 1HB SER 43 2HB SER 43 -6.306 -4.426 -9.185
39 2HB SER 43 1HB SER 43 -6.840 -6.057 -8.732
40 HG SER 43 HG SER 43 -7.968 -5.438 -10.566
41 H CYS 44 H CYS 44 -7.755 -2.604 -5.805
42 HA CYS 44 HA CYS 44 -9.349 -0.626 -6.929
43 1HB CYS 44 2HB CYS 44 -8.493 -0.223 -4.761
44 2HB CYS 44 1HB CYS 44 -6.851 -0.555 -5.239
45 H ASP 45 H ASP 45 -8.743 1.418 -7.975
46 HA ASP 45 HA ASP 45 -6.393 1.155 -9.836
47 1HB ASP 45 2HB ASP 45 -7.980 2.106 -11.641
48 2HB ASP 45 1HB ASP 45 -8.308 0.445 -11.158
49 H HIS 46 H HIS 46 -5.921 2.738 -7.837
50 HA HIS 46 HA HIS 46 -6.799 5.496 -8.561
51 1HB HIS 46 2HB HIS 46 -7.055 4.969 -6.191
52 2HB HIS 46 1HB HIS 46 -5.443 4.269 -6.113
53 HD1 HIS 46 HD1 HIS 46 -7.081 7.544 -6.297
54 HD2 HIS 46 HD2 HIS 46 -3.348 6.068 -5.772
55 HE1 HIS 46 HE1 HIS 46 -5.747 9.465 -5.664
56 HA PRO 47 HA PRO 47 -2.928 6.228 -10.648
57 1HB PRO 47 2HB PRO 47 -2.669 8.940 -9.457
58 2HB PRO 47 1HB PRO 47 -2.971 8.501 -11.143
59 1HG PRO 47 2HG PRO 47 -4.893 9.532 -9.240
60 2HG PRO 47 1HG PRO 47 -5.215 9.008 -10.898
61 1HD PRO 47 1HD PRO 47 -5.988 7.658 -8.463
62 2HD PRO 47 2HD PRO 47 -6.252 7.101 -10.122
63 H GLY 48 H GLY 48 -1.422 4.972 -9.686
64 1HA GLY 48 2HA GLY 48 0.634 4.757 -8.475
65 2HA GLY 48 1HA GLY 48 0.208 6.181 -7.530
66 H CYS 49 H CYS 49 -0.897 2.826 -8.082
67 HA CYS 49 HA CYS 49 -1.034 2.451 -5.137
68 1HB CYS 49 2HB CYS 49 -3.281 3.243 -5.783
69 2HB CYS 49 1HB CYS 49 -3.371 2.046 -7.046
70 H ASP 50 H ASP 50 -0.185 0.575 -4.643
71 HA ASP 50 HA ASP 50 -0.277 -1.668 -6.659
72 1HB ASP 50 2HB ASP 50 1.894 -1.084 -4.569
73 2HB ASP 50 1HB ASP 50 1.946 -2.342 -5.800
74 H LYS 51 H LYS 51 -1.749 -0.719 -4.036
75 HA LYS 51 HA LYS 51 -1.375 -3.052 -2.298
76 1HB LYS 51 2HB LYS 51 -3.124 -0.594 -2.294
77 2HB LYS 51 1HB LYS 51 -3.439 -1.887 -1.147
78 1HG LYS 51 2HG LYS 51 -1.152 -1.712 -0.273
79 2HG LYS 51 1HG LYS 51 -0.745 -0.502 -1.483
80 1HD LYS 51 2HD LYS 51 -3.092 0.006 0.358
81 2HD LYS 51 1HD LYS 51 -1.464 0.245 0.974
82 1HE LYS 51 2HE LYS 51 -0.991 1.974 -0.553
83 2HE LYS 51 1HE LYS 51 -2.252 1.473 -1.670
84 1HZ LYS 51 3HZ LYS 51 -3.742 2.030 0.413
85 2HZ LYS 51 2HZ LYS 51 -2.446 3.073 0.755
86 3HZ LYS 51 1HZ LYS 51 -3.286 3.215 -0.714
87 H ALA 52 H ALA 52 -2.172 -4.936 -3.002
88 HA ALA 52 HA ALA 52 -4.684 -5.004 -4.586
89 1HB ALA 52 2HB ALA 52 -2.760 -7.207 -3.671
90 2HB ALA 52 1HB ALA 52 -4.130 -7.458 -4.751
91 3HB ALA 52 3HB ALA 52 -2.778 -6.453 -5.262
92 H PHE 53 H PHE 53 -6.400 -6.481 -4.001
93 HA PHE 53 HA PHE 53 -6.599 -7.086 -1.067
94 1HB PHE 53 2HB PHE 53 -8.534 -5.486 -2.791
95 2HB PHE 53 1HB PHE 53 -9.056 -6.239 -1.299
96 HD1 PHE 53 HD2 PHE 53 -8.147 -5.451 0.866
97 HD2 PHE 53 HD1 PHE 53 -6.983 -3.601 -2.793
98 HE1 PHE 53 HE2 PHE 53 -7.221 -3.548 2.115
99 HE2 PHE 53 HE1 PHE 53 -6.062 -1.704 -1.538
100 HZ PHE 53 HZ PHE 53 -6.183 -1.674 0.914
101 H VAL 54 H VAL 54 -8.852 -8.229 -0.749
102 HA VAL 54 HA VAL 54 -9.454 -10.082 -3.000
103 HB VAL 54 HB VAL 54 -8.925 -11.227 -0.217
104 1HG1 VAL 54 3HG1 VAL 54 -8.719 -12.327 -3.046
105 2HG1 VAL 54 2HG1 VAL 54 -8.394 -13.247 -1.580
106 3HG1 VAL 54 1HG1 VAL 54 -10.019 -12.652 -1.905
107 1HG2 VAL 54 2HG2 VAL 54 -6.859 -10.660 -2.369
108 2HG2 VAL 54 1HG2 VAL 54 -6.870 -10.028 -0.726
109 3HG2 VAL 54 3HG2 VAL 54 -6.590 -11.743 -1.009
110 H ARG 55 H ARG 55 -10.202 -8.861 0.218
111 HA ARG 55 HA ARG 55 -12.975 -9.964 0.046
112 1HB ARG 55 2HB ARG 55 -11.387 -8.571 2.263
113 2HB ARG 55 1HB ARG 55 -13.080 -9.023 2.441
114 1HG ARG 55 2HG ARG 55 -11.096 -11.130 1.546
115 2HG ARG 55 1HG ARG 55 -11.147 -10.683 3.247
116 1HD ARG 55 2HD ARG 55 -13.590 -11.540 1.654
117 2HD ARG 55 1HD ARG 55 -12.658 -12.617 2.692
118 HE ARG 55 HE ARG 55 -13.529 -10.216 4.089
119 1HH1 ARG 55 HH1 ARG 55 -15.623 -12.084 2.527
120 2HH1 ARG 55 HH1 ARG 55 -16.300 -12.908 3.891
121 1HH2 ARG 55 HH2 ARG 55 -13.796 -11.783 6.071
122 2HH2 ARG 55 HH2 ARG 55 -15.240 -12.734 5.950
123 H ASN 56 H ASN 56 -14.769 -8.667 -0.029
124 HA ASN 56 HA ASN 56 -14.456 -6.058 -1.195
125 1HB ASN 56 2HB ASN 56 -16.526 -7.600 -1.363
126 2HB ASN 56 1HB ASN 56 -16.919 -7.133 0.289
127 1HD2 ASN 56 HD2 ASN 56 -17.624 -4.552 -2.772
128 2HD2 ASN 56 HD2 ASN 56 -16.862 -6.043 -3.047
129 H HIS 57 H HIS 57 -15.787 -4.194 -0.026
130 HA HIS 57 HA HIS 57 -15.921 -2.719 1.784
131 1HB HIS 57 2HB HIS 57 -16.301 -3.694 3.879
132 2HB HIS 57 1HB HIS 57 -16.242 -5.215 3.005
133 HD1 HIS 57 HD1 HIS 57 -14.602 -6.731 3.999
134 HD2 HIS 57 HD2 HIS 57 -13.491 -2.909 4.768
135 HE1 HIS 57 HE1 HIS 57 -12.607 -6.934 5.359
136 H ASP 58 H ASP 58 -13.044 -4.862 2.134
137 HA ASP 58 HA ASP 58 -11.334 -2.899 3.216
138 1HB ASP 58 2HB ASP 58 -10.468 -4.927 1.090
139 2HB ASP 58 1HB ASP 58 -9.512 -4.313 2.437
140 H LEU 59 H LEU 59 -12.242 -3.568 -0.111
141 HA LEU 59 HA LEU 59 -10.470 -1.683 -1.358
142 1HB LEU 59 2HB LEU 59 -12.182 -3.638 -2.255
143 2HB LEU 59 1HB LEU 59 -13.213 -2.246 -2.542
144 HG LEU 59 HG LEU 59 -11.893 -2.757 -4.551
145 1HD1 LEU 59 HD1 LEU 59 -12.405 -0.364 -3.864
146 2HD1 LEU 59 HD1 LEU 59 -10.763 -0.259 -3.249
147 3HD1 LEU 59 HD1 LEU 59 -11.041 -0.539 -4.961
148 1HD2 LEU 59 HD2 LEU 59 -9.874 -3.569 -2.850
149 2HD2 LEU 59 HD2 LEU 59 -9.622 -3.215 -4.555
150 3HD2 LEU 59 HD2 LEU 59 -9.257 -1.999 -3.338
151 H ILE 60 H ILE 60 -13.752 -1.466 -0.075
152 HA ILE 60 HA ILE 60 -14.229 1.212 -0.958
153 HB ILE 60 HB ILE 60 -15.401 -0.496 1.285
154 1HG1 ILE 60 2HG1 ILE 60 -16.821 0.457 -1.225
155 2HG1 ILE 60 1HG1 ILE 60 -15.753 -0.940 -1.293
156 1HG2 ILE 60 2HG2 ILE 60 -16.074 2.346 0.368
157 2HG2 ILE 60 1HG2 ILE 60 -17.294 1.334 1.134
158 3HG2 ILE 60 3HG2 ILE 60 -15.834 1.770 2.016
159 1HD1 ILE 60 HD1 ILE 60 -17.714 -0.969 0.972
160 2HD1 ILE 60 HD1 ILE 60 -18.414 -1.119 -0.637
161 3HD1 ILE 60 HD1 ILE 60 -17.211 -2.281 -0.093
162 H ARG 61 H ARG 61 -13.197 -0.068 2.193
163 HA ARG 61 HA ARG 61 -12.830 2.574 3.313
164 1HB ARG 61 2HB ARG 61 -13.129 0.550 4.746
165 2HB ARG 61 1HB ARG 61 -11.630 -0.129 4.119
166 1HG ARG 61 2HG ARG 61 -10.320 1.635 5.116
167 2HG ARG 61 1HG ARG 61 -11.760 2.561 5.518
168 1HD ARG 61 2HD ARG 61 -12.405 1.037 7.225
169 2HD ARG 61 1HD ARG 61 -11.341 -0.229 6.612
170 HE ARG 61 HE ARG 61 -9.512 0.816 7.722
171 1HH1 ARG 61 HH2 ARG 61 -9.705 3.570 6.925
172 2HH1 ARG 61 HH2 ARG 61 -10.242 4.401 8.347
173 1HH2 ARG 61 HH1 ARG 61 -11.353 1.455 9.890
174 2HH2 ARG 61 HH1 ARG 61 -11.200 3.170 10.070
175 H HIS 62 H HIS 62 -10.891 0.371 1.462
176 HA HIS 62 HA HIS 62 -8.339 1.556 1.989
177 1HB HIS 62 2HB HIS 62 -8.359 -0.625 0.953
178 2HB HIS 62 1HB HIS 62 -9.493 -0.087 -0.259
179 HD1 HIS 62 HD1 HIS 62 -5.947 0.146 0.505
180 HD2 HIS 62 HD2 HIS 62 -8.483 1.196 -2.490
181 HE1 HIS 62 HE1 HIS 62 -4.496 0.908 -1.275
182 H LYS 63 H LYS 63 -10.781 2.074 -0.526
183 HA LYS 63 HA LYS 63 -9.330 3.941 -2.070
184 1HB LYS 63 2HB LYS 63 -11.428 3.019 -2.880
185 2HB LYS 63 1HB LYS 63 -12.306 3.650 -1.495
186 1HG LYS 63 2HG LYS 63 -12.050 5.919 -2.244
187 2HG LYS 63 1HG LYS 63 -10.850 5.456 -3.445
188 1HD LYS 63 2HD LYS 63 -12.487 4.336 -4.787
189 2HD LYS 63 1HD LYS 63 -13.684 4.392 -3.499
190 1HE LYS 63 2HE LYS 63 -12.527 6.825 -4.899
191 2HE LYS 63 1HE LYS 63 -14.101 6.123 -5.245
192 1HZ LYS 63 3HZ LYS 63 -14.685 6.505 -2.892
193 2HZ LYS 63 2HZ LYS 63 -13.213 7.327 -2.688
194 3HZ LYS 63 1HZ LYS 63 -14.384 7.936 -3.756
195 H LYS 64 H LYS 64 -10.708 4.254 1.060
196 HA LYS 64 HA LYS 64 -11.004 7.138 1.017
197 1HB LYS 64 2HB LYS 64 -12.002 5.368 2.698
198 2HB LYS 64 1HB LYS 64 -10.444 5.466 3.512
199 1HG LYS 64 2HG LYS 64 -10.774 8.006 3.541
200 2HG LYS 64 1HG LYS 64 -12.432 7.707 3.037
201 1HD LYS 64 2HD LYS 64 -11.126 6.566 5.533
202 2HD LYS 64 1HD LYS 64 -12.263 7.907 5.507
203 1HE LYS 64 2HE LYS 64 -13.848 6.245 4.257
204 2HE LYS 64 1HE LYS 64 -12.772 4.998 4.877
205 1HZ LYS 64 2HZ LYS 64 -13.469 6.843 6.914
206 2HZ LYS 64 1HZ LYS 64 -14.861 6.184 6.200
207 3HZ LYS 64 3HZ LYS 64 -13.682 5.158 6.866
208 H SER 65 H SER 65 -8.378 4.946 1.423
209 HA SER 65 HA SER 65 -6.587 6.637 2.877
210 1HB SER 65 2HB SER 65 -6.206 4.165 2.455
211 2HB SER 65 1HB SER 65 -5.909 4.533 0.745
212 HG SER 65 HG SER 65 -4.573 5.803 2.902
213 H HIS 66 H HIS 66 -7.200 6.199 -0.579
214 HA HIS 66 HA HIS 66 -5.135 7.937 -1.498
215 1HB HIS 66 2HB HIS 66 -7.837 7.128 -2.670
216 2HB HIS 66 1HB HIS 66 -6.677 8.104 -3.559
217 HD1 HIS 66 HD1 HIS 66 -4.182 6.765 -3.251
218 HD2 HIS 66 HD2 HIS 66 -7.543 4.518 -3.419
219 HE1 HIS 66 HE1 HIS 66 -3.419 4.545 -3.850
220 H GLN 67 H GLN 67 -8.619 8.589 -1.257
221 HA GLN 67 HA GLN 67 -9.762 10.542 -0.736
222 1HB GLN 67 2HB GLN 67 -7.719 10.540 1.045
223 2HB GLN 67 1HB GLN 67 -7.177 11.915 0.090
224 1HG GLN 67 2HG GLN 67 -8.552 12.928 1.729
225 2HG GLN 67 1HG GLN 67 -9.644 12.774 0.356
226 1HE2 GLN 67 2HE2 GLN 67 -10.125 10.207 3.543
227 2HE2 GLN 67 1HE2 GLN 67 -8.591 10.865 3.233
228 H GLU 68 H GLU 68 -10.410 11.418 -2.553
229 HA GLU 68 HA GLU 68 -9.069 12.179 -4.824
230 1HB GLU 68 2HB GLU 68 -11.559 12.360 -4.464
231 2HB GLU 68 1HB GLU 68 -11.296 13.802 -3.491
232 1HG GLU 68 2HG GLU 68 -10.318 14.966 -5.412
233 2HG GLU 68 1HG GLU 68 -10.451 13.509 -6.393
234 H LYS 69 H LYS 69 -8.846 13.737 -1.755
235 HA LYS 69 HA LYS 69 -7.904 16.299 -2.726
236 1HB LYS 69 2HB LYS 69 -7.711 14.844 -0.051
237 2HB LYS 69 1HB LYS 69 -7.026 16.448 -0.290
238 1HG LYS 69 2HG LYS 69 -9.279 17.244 -1.049
239 2HG LYS 69 1HG LYS 69 -9.935 15.657 -0.666
240 1HD LYS 69 2HD LYS 69 -9.492 15.916 1.666
241 2HD LYS 69 1HD LYS 69 -8.421 17.285 1.392
242 1HE LYS 69 2HE LYS 69 -10.372 18.593 0.532
243 2HE LYS 69 1HE LYS 69 -11.421 17.236 0.923
244 1HZ LYS 69 2HZ LYS 69 -9.685 18.527 2.940
245 2HZ LYS 69 1HZ LYS 69 -11.265 19.061 2.622
246 3HZ LYS 69 3HZ LYS 69 -11.002 17.486 3.199
247 H ALA 70 H ALA 70 -5.837 17.043 -2.974
248 HA ALA 70 HA ALA 70 -3.486 15.571 -2.210
249 1HB ALA 70 2HB ALA 70 -4.444 14.187 -4.174
250 2HB ALA 70 1HB ALA 70 -4.094 15.569 -5.204
251 3HB ALA 70 3HB ALA 70 -2.783 14.730 -4.382
No H/Q in entry = 251
Start of MODEL 16
1 1H ASP 39 2H ASP 39 -5.790 -15.861 -3.596
2 2H ASP 39 1H ASP 39 -6.707 -16.572 -2.357
3 3H ASP 39 3H ASP 39 -6.681 -17.272 -3.903
4 HA ASP 39 HA ASP 39 -7.894 -15.523 -4.859
5 1HB ASP 39 2HB ASP 39 -9.184 -17.196 -3.409
6 2HB ASP 39 1HB ASP 39 -9.110 -16.025 -2.096
7 H ARG 40 H ARG 40 -7.212 -13.483 -5.075
8 HA ARG 40 HA ARG 40 -7.951 -11.556 -3.006
9 1HB ARG 40 2HB ARG 40 -5.596 -12.557 -2.429
10 2HB ARG 40 1HB ARG 40 -5.013 -11.646 -3.818
11 1HG ARG 40 2HG ARG 40 -5.819 -9.558 -2.835
12 2HG ARG 40 1HG ARG 40 -6.545 -10.436 -1.494
13 1HD ARG 40 2HD ARG 40 -4.344 -11.198 -0.747
14 2HD ARG 40 1HD ARG 40 -3.579 -10.448 -2.147
15 HE ARG 40 HE ARG 40 -5.104 -8.529 -0.587
16 1HH1 ARG 40 HH1 ARG 40 -2.134 -9.394 -1.798
17 2HH1 ARG 40 HH1 ARG 40 -1.184 -8.656 -0.551
18 1HH2 ARG 40 HH2 ARG 40 -3.980 -7.961 1.445
19 2HH2 ARG 40 HH2 ARG 40 -2.257 -7.823 1.334
20 HA PRO 41 HA PRO 41 -7.772 -10.076 -7.415
21 1HB PRO 41 2HB PRO 41 -10.568 -9.489 -7.559
22 2HB PRO 41 1HB PRO 41 -9.787 -10.925 -8.216
23 1HG PRO 41 2HG PRO 41 -11.490 -10.692 -5.796
24 2HG PRO 41 1HG PRO 41 -11.030 -12.148 -6.690
25 1HD PRO 41 1HD PRO 41 -9.939 -11.251 -4.178
26 2HD PRO 41 2HD PRO 41 -9.371 -12.613 -5.156
27 H TYR 42 H TYR 42 -10.589 -8.473 -6.080
28 HA TYR 42 HA TYR 42 -10.657 -5.983 -6.325
29 1HB TYR 42 2HB TYR 42 -10.173 -7.154 -3.544
30 2HB TYR 42 1HB TYR 42 -10.494 -5.435 -3.756
31 HD1 TYR 42 HD1 TYR 42 -12.625 -4.638 -4.647
32 HD2 TYR 42 HD2 TYR 42 -11.947 -8.782 -4.003
33 HE1 TYR 42 HE1 TYR 42 -15.025 -5.057 -4.869
34 HE2 TYR 42 HE2 TYR 42 -14.350 -9.205 -4.218
35 HH TYR 42 HH TYR 42 -16.329 -8.035 -5.396
36 H SER 43 H SER 43 -8.584 -5.874 -7.541
37 HA SER 43 HA SER 43 -6.347 -4.750 -5.906
38 1HB SER 43 2HB SER 43 -6.592 -5.378 -8.898
39 2HB SER 43 1HB SER 43 -5.113 -4.827 -8.091
40 HG SER 43 HG SER 43 -5.865 -6.681 -6.556
41 H CYS 44 H CYS 44 -7.231 -2.749 -5.314
42 HA CYS 44 HA CYS 44 -8.628 -0.908 -6.839
43 1HB CYS 44 2HB CYS 44 -8.162 -0.251 -4.637
44 2HB CYS 44 1HB CYS 44 -6.476 -0.680 -4.756
45 H ASP 45 H ASP 45 -7.906 1.041 -7.947
46 HA ASP 45 HA ASP 45 -5.230 0.857 -9.248
47 1HB ASP 45 2HB ASP 45 -6.344 1.153 -11.507
48 2HB ASP 45 1HB ASP 45 -6.754 -0.387 -10.757
49 H HIS 46 H HIS 46 -5.900 2.726 -7.375
50 HA HIS 46 HA HIS 46 -6.908 5.128 -8.710
51 1HB HIS 46 2HB HIS 46 -7.476 5.144 -6.412
52 2HB HIS 46 1HB HIS 46 -6.000 4.318 -5.947
53 HD1 HIS 46 HD1 HIS 46 -7.339 7.643 -6.326
54 HD2 HIS 46 HD2 HIS 46 -3.693 5.999 -5.696
55 HE1 HIS 46 HE1 HIS 46 -5.948 9.494 -5.612
56 HA PRO 47 HA PRO 47 -3.060 6.538 -10.374
57 1HB PRO 47 2HB PRO 47 -3.341 9.306 -9.398
58 2HB PRO 47 1HB PRO 47 -3.567 8.704 -11.044
59 1HG PRO 47 2HG PRO 47 -5.631 9.462 -9.108
60 2HG PRO 47 1HG PRO 47 -5.850 8.973 -10.795
61 1HD PRO 47 1HD PRO 47 -6.519 7.425 -8.479
62 2HD PRO 47 2HD PRO 47 -6.518 6.860 -10.157
63 H GLY 48 H GLY 48 -1.462 5.597 -9.175
64 1HA GLY 48 2HA GLY 48 0.540 6.054 -7.845
65 2HA GLY 48 1HA GLY 48 -0.396 7.178 -6.864
66 H CYS 49 H CYS 49 -1.027 3.788 -7.812
67 HA CYS 49 HA CYS 49 -0.386 2.692 -5.240
68 1HB CYS 49 2HB CYS 49 -2.256 3.859 -4.356
69 2HB CYS 49 1HB CYS 49 -3.233 3.553 -5.769
70 H ASP 50 H ASP 50 -1.269 0.512 -4.926
71 HA ASP 50 HA ASP 50 -2.576 -0.896 -7.059
72 1HB ASP 50 2HB ASP 50 -0.513 -2.211 -7.795
73 2HB ASP 50 1HB ASP 50 -0.468 -0.516 -8.271
74 H LYS 51 H LYS 51 -3.082 -0.969 -4.406
75 HA LYS 51 HA LYS 51 -1.703 -3.293 -3.200
76 1HB LYS 51 2HB LYS 51 -3.968 -1.461 -2.268
77 2HB LYS 51 1HB LYS 51 -3.421 -2.838 -1.325
78 1HG LYS 51 2HG LYS 51 -1.007 -1.683 -1.708
79 2HG LYS 51 1HG LYS 51 -1.994 -0.250 -1.927
80 1HD LYS 51 2HD LYS 51 -1.364 -0.398 0.425
81 2HD LYS 51 1HD LYS 51 -3.089 -0.701 0.289
82 1HE LYS 51 2HE LYS 51 -1.404 -2.338 1.689
83 2HE LYS 51 1HE LYS 51 -2.892 -2.912 0.949
84 1HZ LYS 51 2HZ LYS 51 -1.581 -3.466 -1.046
85 2HZ LYS 51 1HZ LYS 51 -0.166 -3.047 -0.204
86 3HZ LYS 51 3HZ LYS 51 -1.122 -4.346 0.332
87 H ALA 52 H ALA 52 -2.692 -5.235 -2.655
88 HA ALA 52 HA ALA 52 -5.015 -5.965 -4.397
89 1HB ALA 52 3HB ALA 52 -2.823 -7.309 -4.389
90 2HB ALA 52 2HB ALA 52 -3.202 -7.786 -2.737
91 3HB ALA 52 1HB ALA 52 -4.262 -8.267 -4.058
92 H PHE 53 H PHE 53 -6.623 -7.453 -3.488
93 HA PHE 53 HA PHE 53 -6.926 -7.496 -0.562
94 1HB PHE 53 2HB PHE 53 -8.662 -5.793 -2.375
95 2HB PHE 53 1HB PHE 53 -9.231 -6.323 -0.806
96 HD1 PHE 53 HD2 PHE 53 -7.486 -5.913 1.176
97 HD2 PHE 53 HD1 PHE 53 -7.425 -3.789 -2.519
98 HE1 PHE 53 HE2 PHE 53 -6.203 -4.102 2.228
99 HE2 PHE 53 HE1 PHE 53 -6.146 -1.986 -1.459
100 HZ PHE 53 HZ PHE 53 -5.529 -2.143 0.910
101 H VAL 54 H VAL 54 -9.361 -8.268 -0.103
102 HA VAL 54 HA VAL 54 -9.803 -10.624 -1.927
103 HB VAL 54 HB VAL 54 -10.826 -11.682 0.136
104 1HG1 VAL 54 1HG1 VAL 54 -8.390 -11.926 -0.533
105 2HG1 VAL 54 3HG1 VAL 54 -8.016 -10.660 0.631
106 3HG1 VAL 54 2HG1 VAL 54 -8.708 -12.185 1.179
107 1HG2 VAL 54 1HG2 VAL 54 -9.872 -9.095 1.403
108 2HG2 VAL 54 3HG2 VAL 54 -11.503 -9.751 1.411
109 3HG2 VAL 54 2HG2 VAL 54 -10.234 -10.541 2.334
110 H ARG 55 H ARG 55 -11.528 -8.205 0.041
111 HA ARG 55 HA ARG 55 -13.931 -8.679 -1.720
112 1HB ARG 55 2HB ARG 55 -14.201 -9.650 0.607
113 2HB ARG 55 1HB ARG 55 -13.953 -8.040 1.275
114 1HG ARG 55 2HG ARG 55 -15.964 -7.206 0.314
115 2HG ARG 55 1HG ARG 55 -16.090 -8.555 -0.809
116 1HD ARG 55 2HD ARG 55 -16.184 -9.017 2.181
117 2HD ARG 55 1HD ARG 55 -17.636 -8.587 1.278
118 HE ARG 55 HE ARG 55 -16.396 -10.735 -0.095
119 1HH1 ARG 55 HH1 ARG 55 -19.211 -10.408 1.167
120 2HH1 ARG 55 HH1 ARG 55 -19.257 -11.803 2.193
121 1HH2 ARG 55 HH2 ARG 55 -15.802 -12.344 1.949
122 2HH2 ARG 55 HH2 ARG 55 -17.275 -12.927 2.648
123 H ASN 56 H ASN 56 -15.444 -6.881 -1.776
124 HA ASN 56 HA ASN 56 -14.222 -4.448 -2.494
125 1HB ASN 56 2HB ASN 56 -16.569 -5.121 -3.106
126 2HB ASN 56 1HB ASN 56 -17.062 -4.880 -1.432
127 1HD2 ASN 56 HD2 ASN 56 -15.668 -1.346 -2.839
128 2HD2 ASN 56 HD2 ASN 56 -14.646 -2.683 -2.617
129 H HIS 57 H HIS 57 -15.758 -5.369 0.569
130 HA HIS 57 HA HIS 57 -15.711 -2.972 1.956
131 1HB HIS 57 2HB HIS 57 -16.474 -4.633 3.416
132 2HB HIS 57 1HB HIS 57 -15.493 -5.873 2.653
133 HD1 HIS 57 HD1 HIS 57 -13.449 -6.466 3.905
134 HD2 HIS 57 HD2 HIS 57 -15.026 -3.050 5.415
135 HE1 HIS 57 HE1 HIS 57 -12.158 -6.028 5.902
136 H ASP 58 H ASP 58 -12.940 -5.265 1.981
137 HA ASP 58 HA ASP 58 -11.123 -3.550 3.270
138 1HB ASP 58 2HB ASP 58 -10.562 -5.487 0.959
139 2HB ASP 58 1HB ASP 58 -9.352 -4.857 2.074
140 H LEU 59 H LEU 59 -12.163 -3.664 -0.067
141 HA LEU 59 HA LEU 59 -10.251 -1.739 -1.072
142 1HB LEU 59 2HB LEU 59 -12.108 -3.498 -2.183
143 2HB LEU 59 1HB LEU 59 -12.965 -1.982 -2.394
144 HG LEU 59 HG LEU 59 -11.597 -2.515 -4.381
145 1HD1 LEU 59 HD1 LEU 59 -11.956 -0.135 -3.633
146 2HD1 LEU 59 HD1 LEU 59 -10.386 -0.191 -2.838
147 3HD1 LEU 59 HD1 LEU 59 -10.495 -0.358 -4.587
148 1HD2 LEU 59 HD2 LEU 59 -9.733 -3.570 -2.626
149 2HD2 LEU 59 HD2 LEU 59 -9.374 -3.167 -4.302
150 3HD2 LEU 59 HD2 LEU 59 -8.972 -2.033 -3.016
151 H ILE 60 H ILE 60 -13.406 -1.557 0.442
152 HA ILE 60 HA ILE 60 -13.815 1.234 -0.194
153 HB ILE 60 HB ILE 60 -15.012 -0.586 1.957
154 1HG1 ILE 60 2HG1 ILE 60 -16.192 0.456 -0.651
155 2HG1 ILE 60 1HG1 ILE 60 -15.482 -1.139 -0.460
156 1HG2 ILE 60 3HG2 ILE 60 -15.682 2.270 1.070
157 2HG2 ILE 60 2HG2 ILE 60 -16.815 1.278 1.978
158 3HG2 ILE 60 1HG2 ILE 60 -15.277 1.734 2.697
159 1HD1 ILE 60 HD1 ILE 60 -17.225 -1.218 1.628
160 2HD1 ILE 60 HD1 ILE 60 -18.089 -0.089 0.589
161 3HD1 ILE 60 HD1 ILE 60 -17.694 -1.698 0.001
162 H ARG 61 H ARG 61 -12.515 -0.575 2.518
163 HA ARG 61 HA ARG 61 -12.062 1.802 4.131
164 1HB ARG 61 2HB ARG 61 -11.014 -1.068 4.275
165 2HB ARG 61 1HB ARG 61 -10.633 0.149 5.485
166 1HG ARG 61 2HG ARG 61 -13.459 -0.676 4.715
167 2HG ARG 61 1HG ARG 61 -12.597 -1.302 6.112
168 1HD ARG 61 2HD ARG 61 -12.284 1.333 6.628
169 2HD ARG 61 1HD ARG 61 -13.768 1.426 5.680
170 HE ARG 61 HE ARG 61 -14.904 0.395 7.473
171 1HH1 ARG 61 HH1 ARG 61 -11.591 -0.430 7.461
172 2HH1 ARG 61 HH1 ARG 61 -11.554 -0.964 9.108
173 1HH2 ARG 61 HH2 ARG 61 -14.898 -0.079 9.679
174 2HH2 ARG 61 HH2 ARG 61 -13.477 -0.759 10.397
175 H HIS 62 H HIS 62 -10.285 -0.073 1.782
176 HA HIS 62 HA HIS 62 -7.739 1.199 2.363
177 1HB HIS 62 2HB HIS 62 -7.503 -0.950 1.356
178 2HB HIS 62 1HB HIS 62 -8.780 -0.642 0.210
179 HD1 HIS 62 HD1 HIS 62 -5.235 -0.210 0.585
180 HD2 HIS 62 HD2 HIS 62 -8.101 1.018 -2.013
181 HE1 HIS 62 HE1 HIS 62 -4.006 0.772 -1.261
182 H LYS 63 H LYS 63 -10.277 1.583 -0.070
183 HA LYS 63 HA LYS 63 -9.002 3.479 -1.719
184 1HB LYS 63 2HB LYS 63 -11.194 2.485 -2.271
185 2HB LYS 63 1HB LYS 63 -11.933 3.260 -0.874
186 1HG LYS 63 2HG LYS 63 -11.738 5.430 -1.824
187 2HG LYS 63 1HG LYS 63 -10.555 4.898 -3.012
188 1HD LYS 63 2HD LYS 63 -12.316 3.476 -4.078
189 2HD LYS 63 1HD LYS 63 -13.488 4.115 -2.931
190 1HE LYS 63 2HE LYS 63 -13.705 5.450 -4.914
191 2HE LYS 63 1HE LYS 63 -12.837 6.443 -3.752
192 1HZ LYS 63 1HZ LYS 63 -10.903 5.016 -5.078
193 2HZ LYS 63 3HZ LYS 63 -11.994 5.498 -6.288
194 3HZ LYS 63 2HZ LYS 63 -11.276 6.661 -5.280
195 H LYS 64 H LYS 64 -9.694 3.752 1.535
196 HA LYS 64 HA LYS 64 -10.495 6.459 1.812
197 1HB LYS 64 2HB LYS 64 -10.239 4.641 3.638
198 2HB LYS 64 1HB LYS 64 -8.519 5.010 3.637
199 1HG LYS 64 2HG LYS 64 -9.071 7.408 4.108
200 2HG LYS 64 1HG LYS 64 -10.772 6.976 4.207
201 1HD LYS 64 2HD LYS 64 -8.776 5.472 5.918
202 2HD LYS 64 1HD LYS 64 -9.289 7.079 6.417
203 1HE LYS 64 2HE LYS 64 -11.268 4.893 5.710
204 2HE LYS 64 1HE LYS 64 -10.676 5.141 7.345
205 1HZ LYS 64 2HZ LYS 64 -11.492 7.425 7.235
206 2HZ LYS 64 1HZ LYS 64 -12.117 7.131 5.684
207 3HZ LYS 64 3HZ LYS 64 -12.741 6.294 7.023
208 H SER 65 H SER 65 -7.365 5.021 1.176
209 HA SER 65 HA SER 65 -5.809 7.388 1.691
210 1HB SER 65 2HB SER 65 -4.122 6.142 0.150
211 2HB SER 65 1HB SER 65 -4.687 5.201 1.545
212 HG SER 65 HG SER 65 -6.084 4.122 0.274
213 H HIS 66 H HIS 66 -8.077 6.714 -0.669
214 HA HIS 66 HA HIS 66 -6.880 8.739 -2.554
215 1HB HIS 66 2HB HIS 66 -8.970 6.610 -3.217
216 2HB HIS 66 1HB HIS 66 -8.049 7.591 -4.352
217 HD1 HIS 66 HD1 HIS 66 -5.311 7.143 -3.215
218 HD2 HIS 66 HD2 HIS 66 -7.949 4.114 -3.699
219 HE1 HIS 66 HE1 HIS 66 -3.945 5.148 -3.380
220 H GLN 67 H GLN 67 -8.255 9.640 -0.373
221 HA GLN 67 HA GLN 67 -11.074 9.996 -0.934
222 1HB GLN 67 2HB GLN 67 -10.837 11.812 0.865
223 2HB GLN 67 1HB GLN 67 -10.287 10.217 1.367
224 1HG GLN 67 2HG GLN 67 -7.967 10.824 0.950
225 2HG GLN 67 1HG GLN 67 -8.454 12.363 0.243
226 1HE2 GLN 67 2HE2 GLN 67 -7.519 12.869 3.856
227 2HE2 GLN 67 1HE2 GLN 67 -6.708 12.203 2.523
228 H GLU 68 H GLU 68 -9.391 10.687 -3.162
229 HA GLU 68 HA GLU 68 -9.140 12.353 -4.777
230 1HB GLU 68 2HB GLU 68 -11.566 13.485 -3.289
231 2HB GLU 68 1HB GLU 68 -11.059 13.956 -4.905
232 1HG GLU 68 2HG GLU 68 -12.768 12.315 -5.236
233 2HG GLU 68 1HG GLU 68 -11.251 11.465 -5.522
234 H LYS 69 H LYS 69 -8.642 14.637 -5.139
235 HA LYS 69 HA LYS 69 -7.276 15.791 -2.734
236 1HB LYS 69 2HB LYS 69 -6.964 16.384 -5.725
237 2HB LYS 69 1HB LYS 69 -5.978 17.082 -4.445
238 1HG LYS 69 2HG LYS 69 -5.011 14.967 -3.893
239 2HG LYS 69 1HG LYS 69 -6.226 14.086 -4.812
240 1HD LYS 69 2HD LYS 69 -5.353 15.014 -6.912
241 2HD LYS 69 1HD LYS 69 -4.186 15.983 -6.022
242 1HE LYS 69 2HE LYS 69 -3.401 13.699 -7.020
243 2HE LYS 69 1HE LYS 69 -2.926 14.102 -5.374
244 1HZ LYS 69 1HZ LYS 69 -5.311 12.483 -6.061
245 2HZ LYS 69 3HZ LYS 69 -3.802 11.827 -5.641
246 3HZ LYS 69 2HZ LYS 69 -4.668 12.756 -4.513
247 H ALA 70 H ALA 70 -7.670 17.846 -2.053
248 HA ALA 70 HA ALA 70 -9.206 19.763 -3.569
249 1HB ALA 70 1HB ALA 70 -11.018 18.132 -2.924
250 2HB ALA 70 3HB ALA 70 -10.605 18.367 -1.229
251 3HB ALA 70 2HB ALA 70 -11.263 19.704 -2.168
No H/Q in entry = 251
Start of MODEL 17
1 1H ASP 39 3H ASP 39 -9.754 -14.496 -4.134
2 2H ASP 39 2H ASP 39 -11.344 -14.646 -4.711
3 3H ASP 39 1H ASP 39 -10.403 -16.034 -4.442
4 HA ASP 39 HA ASP 39 -8.941 -15.522 -6.213
5 1HB ASP 39 2HB ASP 39 -11.772 -14.902 -7.188
6 2HB ASP 39 1HB ASP 39 -10.487 -15.705 -8.086
7 H ARG 40 H ARG 40 -9.090 -13.081 -4.684
8 HA ARG 40 HA ARG 40 -8.830 -10.763 -4.955
9 1HB ARG 40 2HB ARG 40 -6.893 -11.804 -6.269
10 2HB ARG 40 1HB ARG 40 -7.871 -11.639 -7.723
11 1HG ARG 40 2HG ARG 40 -8.003 -9.209 -7.384
12 2HG ARG 40 1HG ARG 40 -7.086 -9.349 -5.890
13 1HD ARG 40 2HD ARG 40 -5.523 -8.712 -7.621
14 2HD ARG 40 1HD ARG 40 -5.222 -10.412 -7.262
15 HE ARG 40 HE ARG 40 -7.048 -10.526 -9.327
16 1HH1 ARG 40 HH1 ARG 40 -3.964 -11.000 -9.307
17 2HH1 ARG 40 HH1 ARG 40 -3.510 -10.094 -10.711
18 1HH2 ARG 40 HH2 ARG 40 -6.591 -8.431 -10.883
19 2HH2 ARG 40 HH2 ARG 40 -5.036 -8.601 -11.627
20 HA PRO 41 HA PRO 41 -12.606 -10.404 -7.614
21 1HB PRO 41 2HB PRO 41 -14.146 -9.261 -5.460
22 2HB PRO 41 1HB PRO 41 -14.277 -10.915 -6.071
23 1HG PRO 41 2HG PRO 41 -13.120 -10.012 -3.527
24 2HG PRO 41 1HG PRO 41 -13.394 -11.673 -4.073
25 1HD PRO 41 1HD PRO 41 -10.870 -10.217 -3.971
26 2HD PRO 41 2HD PRO 41 -11.128 -11.901 -4.449
27 H TYR 42 H TYR 42 -10.735 -8.340 -5.595
28 HA TYR 42 HA TYR 42 -11.571 -5.986 -7.135
29 1HB TYR 42 2HB TYR 42 -11.234 -6.416 -4.133
30 2HB TYR 42 1HB TYR 42 -10.904 -4.824 -4.809
31 HD1 TYR 42 HD1 TYR 42 -12.751 -3.920 -6.483
32 HD2 TYR 42 HD2 TYR 42 -13.454 -6.893 -3.529
33 HE1 TYR 42 HE1 TYR 42 -15.129 -3.343 -6.476
34 HE2 TYR 42 HE2 TYR 42 -15.834 -6.321 -3.526
35 HH TYR 42 HH TYR 42 -17.474 -5.259 -4.697
36 H SER 43 H SER 43 -9.948 -4.370 -6.267
37 HA SER 43 HA SER 43 -7.293 -4.642 -5.714
38 1HB SER 43 2HB SER 43 -7.930 -5.658 -8.502
39 2HB SER 43 1HB SER 43 -6.440 -4.707 -8.320
40 HG SER 43 HG SER 43 -6.339 -7.057 -7.828
41 H CYS 44 H CYS 44 -7.551 -2.511 -5.101
42 HA CYS 44 HA CYS 44 -8.731 -0.417 -6.484
43 1HB CYS 44 2HB CYS 44 -7.808 -0.140 -4.252
44 2HB CYS 44 1HB CYS 44 -6.192 -0.464 -4.823
45 H ASP 45 H ASP 45 -7.853 1.320 -7.726
46 HA ASP 45 HA ASP 45 -5.404 0.694 -9.312
47 1HB ASP 45 2HB ASP 45 -8.066 1.515 -10.583
48 2HB ASP 45 1HB ASP 45 -6.599 1.020 -11.422
49 H HIS 46 H HIS 46 -5.919 2.617 -7.249
50 HA HIS 46 HA HIS 46 -6.516 5.169 -8.383
51 1HB HIS 46 2HB HIS 46 -6.649 4.700 -5.948
52 2HB HIS 46 1HB HIS 46 -4.928 4.342 -5.900
53 HD1 HIS 46 HD1 HIS 46 -7.137 7.230 -6.539
54 HD2 HIS 46 HD2 HIS 46 -3.314 6.477 -5.444
55 HE1 HIS 46 HE1 HIS 46 -6.222 9.405 -5.988
56 HA PRO 47 HA PRO 47 -2.779 5.858 -10.719
57 1HB PRO 47 2HB PRO 47 -2.636 8.693 -9.824
58 2HB PRO 47 1HB PRO 47 -2.948 8.061 -11.446
59 1HG PRO 47 2HG PRO 47 -4.886 9.188 -9.623
60 2HG PRO 47 1HG PRO 47 -5.216 8.445 -11.194
61 1HD PRO 47 1HD PRO 47 -5.829 7.363 -8.581
62 2HD PRO 47 2HD PRO 47 -6.123 6.600 -10.150
63 H GLY 48 H GLY 48 -1.138 4.829 -9.754
64 1HA GLY 48 2HA GLY 48 0.993 4.911 -8.643
65 2HA GLY 48 1HA GLY 48 0.441 6.304 -7.715
66 H CYS 49 H CYS 49 -1.017 3.083 -8.184
67 HA CYS 49 HA CYS 49 -0.421 2.350 -5.394
68 1HB CYS 49 2HB CYS 49 -2.453 3.793 -5.245
69 2HB CYS 49 1HB CYS 49 -3.274 2.754 -6.378
70 H ASP 50 H ASP 50 -0.186 0.236 -5.226
71 HA ASP 50 HA ASP 50 -1.472 -1.555 -7.284
72 1HB ASP 50 2HB ASP 50 1.053 -1.236 -7.565
73 2HB ASP 50 1HB ASP 50 1.269 -1.921 -5.956
74 H LYS 51 H LYS 51 -2.280 -0.738 -4.574
75 HA LYS 51 HA LYS 51 -1.774 -2.920 -2.765
76 1HB LYS 51 2HB LYS 51 -2.643 -0.468 -2.316
77 2HB LYS 51 1HB LYS 51 -4.231 -1.128 -2.677
78 1HG LYS 51 2HG LYS 51 -4.126 -1.455 -0.360
79 2HG LYS 51 1HG LYS 51 -3.542 -3.007 -0.936
80 1HD LYS 51 2HD LYS 51 -1.221 -2.296 -0.600
81 2HD LYS 51 1HD LYS 51 -1.746 -0.671 -0.175
82 1HE LYS 51 2HE LYS 51 -2.626 -3.139 1.347
83 2HE LYS 51 1HE LYS 51 -1.219 -2.187 1.802
84 1HZ LYS 51 2HZ LYS 51 -2.970 -0.252 1.626
85 2HZ LYS 51 1HZ LYS 51 -4.054 -1.514 1.967
86 3HZ LYS 51 3HZ LYS 51 -2.789 -1.168 3.045
87 H ALA 52 H ALA 52 -2.311 -4.910 -3.534
88 HA ALA 52 HA ALA 52 -4.737 -5.428 -5.037
89 1HB ALA 52 1HB ALA 52 -2.734 -7.210 -3.574
90 2HB ALA 52 3HB ALA 52 -4.108 -7.870 -4.458
91 3HB ALA 52 2HB ALA 52 -2.867 -6.957 -5.312
92 H PHE 53 H PHE 53 -6.408 -6.950 -4.285
93 HA PHE 53 HA PHE 53 -6.843 -6.972 -1.341
94 1HB PHE 53 2HB PHE 53 -8.541 -5.487 -3.391
95 2HB PHE 53 1HB PHE 53 -9.294 -6.104 -1.917
96 HD1 PHE 53 HD1 PHE 53 -7.811 -5.612 0.291
97 HD2 PHE 53 HD2 PHE 53 -7.687 -3.296 -3.286
98 HE1 PHE 53 HE1 PHE 53 -6.849 -3.732 1.535
99 HE2 PHE 53 HE2 PHE 53 -6.731 -1.419 -2.024
100 HZ PHE 53 HZ PHE 53 -6.306 -1.651 0.379
101 H VAL 54 H VAL 54 -8.219 -8.511 -0.612
102 HA VAL 54 HA VAL 54 -9.032 -10.586 -2.625
103 HB VAL 54 HB VAL 54 -8.683 -10.910 0.395
104 1HG1 VAL 54 1HG1 VAL 54 -10.024 -12.599 -0.986
105 2HG1 VAL 54 3HG1 VAL 54 -8.520 -12.969 -1.824
106 3HG1 VAL 54 2HG1 VAL 54 -8.660 -13.264 -0.093
107 1HG2 VAL 54 2HG2 VAL 54 -6.690 -11.211 -1.868
108 2HG2 VAL 54 1HG2 VAL 54 -6.526 -10.231 -0.414
109 3HG2 VAL 54 3HG2 VAL 54 -6.468 -11.987 -0.304
110 H ARG 55 H ARG 55 -10.104 -8.626 0.089
111 HA ARG 55 HA ARG 55 -12.852 -9.794 -0.104
112 1HB ARG 55 2HB ARG 55 -11.648 -7.800 1.887
113 2HB ARG 55 1HB ARG 55 -13.245 -8.520 2.017
114 1HG ARG 55 2HG ARG 55 -10.817 -10.318 1.794
115 2HG ARG 55 1HG ARG 55 -11.209 -9.586 3.342
116 1HD ARG 55 2HD ARG 55 -13.447 -10.586 3.301
117 2HD ARG 55 1HD ARG 55 -13.155 -11.240 1.692
118 HE ARG 55 HE ARG 55 -11.094 -12.186 3.411
119 1HH1 ARG 55 HH1 ARG 55 -13.405 -12.439 5.261
120 2HH1 ARG 55 HH1 ARG 55 -14.032 -14.007 4.875
121 1HH2 ARG 55 HH2 ARG 55 -12.313 -14.165 1.825
122 2HH2 ARG 55 HH2 ARG 55 -13.397 -15.010 2.879
123 H ASN 56 H ASN 56 -14.350 -7.662 0.761
124 HA ASN 56 HA ASN 56 -14.172 -5.797 -1.595
125 1HB ASN 56 2HB ASN 56 -16.246 -7.202 -1.401
126 2HB ASN 56 1HB ASN 56 -16.551 -6.521 0.193
127 1HD2 ASN 56 HD2 ASN 56 -18.585 -4.295 -1.766
128 2HD2 ASN 56 HD2 ASN 56 -18.632 -5.756 -0.904
129 H HIS 57 H HIS 57 -15.573 -5.658 1.690
130 HA HIS 57 HA HIS 57 -15.670 -2.918 2.034
131 1HB HIS 57 2HB HIS 57 -14.529 -4.747 4.200
132 2HB HIS 57 1HB HIS 57 -15.557 -3.333 4.416
133 HD1 HIS 57 HD1 HIS 57 -15.835 -6.796 4.299
134 HD2 HIS 57 HD2 HIS 57 -18.221 -3.781 3.013
135 HE1 HIS 57 HE1 HIS 57 -18.018 -7.811 4.036
136 H ASP 58 H ASP 58 -12.795 -4.885 1.926
137 HA ASP 58 HA ASP 58 -10.981 -3.072 3.137
138 1HB ASP 58 2HB ASP 58 -10.564 -4.964 0.763
139 2HB ASP 58 1HB ASP 58 -9.266 -4.217 1.689
140 H LEU 59 H LEU 59 -11.861 -3.444 -0.300
141 HA LEU 59 HA LEU 59 -10.346 -1.223 -1.244
142 1HB LEU 59 2HB LEU 59 -11.363 -2.874 -2.787
143 2HB LEU 59 1HB LEU 59 -12.978 -2.463 -2.230
144 HG LEU 59 HG LEU 59 -12.819 -0.245 -3.205
145 1HD1 LEU 59 HD1 LEU 59 -9.921 -1.031 -3.618
146 2HD1 LEU 59 HD1 LEU 59 -10.662 0.227 -4.606
147 3HD1 LEU 59 HD1 LEU 59 -10.556 0.425 -2.865
148 1HD2 LEU 59 HD2 LEU 59 -13.439 -2.091 -4.719
149 2HD2 LEU 59 HD2 LEU 59 -12.553 -0.840 -5.584
150 3HD2 LEU 59 HD2 LEU 59 -11.740 -2.330 -5.119
151 H ILE 60 H ILE 60 -13.603 -1.431 0.117
152 HA ILE 60 HA ILE 60 -14.203 1.346 -0.418
153 HB ILE 60 HB ILE 60 -15.402 -0.659 1.551
154 1HG1 ILE 60 2HG1 ILE 60 -16.717 0.343 -0.996
155 2HG1 ILE 60 1HG1 ILE 60 -15.529 -0.953 -1.085
156 1HG2 ILE 60 3HG2 ILE 60 -16.215 2.170 0.704
157 2HG2 ILE 60 2HG2 ILE 60 -17.376 1.052 1.408
158 3HG2 ILE 60 1HG2 ILE 60 -15.978 1.569 2.342
159 1HD1 ILE 60 HD1 ILE 60 -17.727 -1.199 0.963
160 2HD1 ILE 60 HD1 ILE 60 -18.118 -1.508 -0.725
161 3HD1 ILE 60 HD1 ILE 60 -16.877 -2.462 0.080
162 H ARG 61 H ARG 61 -12.624 -0.409 2.104
163 HA ARG 61 HA ARG 61 -12.613 1.942 3.917
164 1HB ARG 61 2HB ARG 61 -12.840 -0.578 4.620
165 2HB ARG 61 1HB ARG 61 -11.115 -0.698 4.296
166 1HG ARG 61 2HG ARG 61 -10.849 1.343 5.843
167 2HG ARG 61 1HG ARG 61 -12.513 1.053 6.334
168 1HD ARG 61 2HD ARG 61 -10.085 -0.679 6.766
169 2HD ARG 61 1HD ARG 61 -11.331 -0.211 7.922
170 HE ARG 61 HE ARG 61 -12.333 -1.888 5.741
171 1HH1 ARG 61 HH1 ARG 61 -10.737 -1.729 8.771
172 2HH1 ARG 61 HH1 ARG 61 -11.305 -3.269 9.324
173 1HH2 ARG 61 HH2 ARG 61 -13.156 -3.858 6.406
174 2HH2 ARG 61 HH2 ARG 61 -12.711 -4.506 7.949
175 H HIS 62 H HIS 62 -10.768 0.573 1.416
176 HA HIS 62 HA HIS 62 -8.246 1.855 2.328
177 1HB HIS 62 2HB HIS 62 -7.821 -0.342 1.519
178 2HB HIS 62 1HB HIS 62 -8.963 -0.179 0.211
179 HD1 HIS 62 HD1 HIS 62 -5.498 0.351 0.935
180 HD2 HIS 62 HD2 HIS 62 -8.076 1.460 -2.004
181 HE1 HIS 62 HE1 HIS 62 -4.071 1.161 -0.852
182 H LYS 63 H LYS 63 -10.702 2.080 -0.182
183 HA LYS 63 HA LYS 63 -9.248 3.974 -1.786
184 1HB LYS 63 2HB LYS 63 -11.151 2.677 -2.686
185 2HB LYS 63 1HB LYS 63 -12.242 3.431 -1.533
186 1HG LYS 63 2HG LYS 63 -11.964 5.596 -2.550
187 2HG LYS 63 1HG LYS 63 -10.617 5.030 -3.529
188 1HD LYS 63 2HD LYS 63 -12.253 3.381 -4.606
189 2HD LYS 63 1HD LYS 63 -13.540 4.263 -3.789
190 1HE LYS 63 2HE LYS 63 -11.766 5.146 -6.044
191 2HE LYS 63 1HE LYS 63 -13.483 5.446 -5.796
192 1HZ LYS 63 2HZ LYS 63 -11.492 6.644 -3.988
193 2HZ LYS 63 1HZ LYS 63 -11.820 7.358 -5.494
194 3HZ LYS 63 3HZ LYS 63 -13.064 7.171 -4.352
195 H LYS 64 H LYS 64 -10.884 4.220 1.187
196 HA LYS 64 HA LYS 64 -11.629 7.023 0.936
197 1HB LYS 64 2HB LYS 64 -11.255 5.191 3.362
198 2HB LYS 64 1HB LYS 64 -11.911 6.819 3.465
199 1HG LYS 64 2HG LYS 64 -13.149 4.825 1.549
200 2HG LYS 64 1HG LYS 64 -13.559 4.755 3.258
201 1HD LYS 64 2HD LYS 64 -14.197 7.187 3.158
202 2HD LYS 64 1HD LYS 64 -13.905 7.154 1.423
203 1HE LYS 64 2HE LYS 64 -15.856 5.331 2.862
204 2HE LYS 64 1HE LYS 64 -16.316 6.803 2.017
205 1HZ LYS 64 1HZ LYS 64 -14.739 5.307 0.286
206 2HZ LYS 64 3HZ LYS 64 -15.879 4.244 0.961
207 3HZ LYS 64 2HZ LYS 64 -16.397 5.649 0.160
208 H SER 65 H SER 65 -8.706 5.464 1.201
209 HA SER 65 HA SER 65 -7.393 7.461 2.926
210 1HB SER 65 2HB SER 65 -6.589 5.094 2.919
211 2HB SER 65 1HB SER 65 -6.236 5.212 1.184
212 HG SER 65 HG SER 65 -4.790 6.102 3.273
213 H HIS 66 H HIS 66 -7.438 6.590 -0.516
214 HA HIS 66 HA HIS 66 -5.492 8.424 -1.420
215 1HB HIS 66 2HB HIS 66 -8.053 7.368 -2.704
216 2HB HIS 66 1HB HIS 66 -6.905 8.370 -3.587
217 HD1 HIS 66 HD1 HIS 66 -4.367 7.270 -3.154
218 HD2 HIS 66 HD2 HIS 66 -7.516 4.736 -3.112
219 HE1 HIS 66 HE1 HIS 66 -3.414 5.082 -3.563
220 H GLN 67 H GLN 67 -8.858 8.909 -0.575
221 HA GLN 67 HA GLN 67 -8.996 11.595 -1.652
222 1HB GLN 67 2HB GLN 67 -10.921 9.892 -0.956
223 2HB GLN 67 1HB GLN 67 -10.724 10.582 0.650
224 1HG GLN 67 2HG GLN 67 -12.445 11.865 -0.458
225 2HG GLN 67 1HG GLN 67 -11.005 12.878 -0.430
226 1HE2 GLN 67 2HE2 GLN 67 -10.642 12.922 -3.939
227 2HE2 GLN 67 1HE2 GLN 67 -10.000 13.390 -2.439
228 H GLU 68 H GLU 68 -7.063 10.491 0.658
229 HA GLU 68 HA GLU 68 -5.964 11.447 2.491
230 1HB GLU 68 2HB GLU 68 -5.674 13.208 0.620
231 2HB GLU 68 1HB GLU 68 -7.015 14.078 1.356
232 1HG GLU 68 2HG GLU 68 -5.000 15.006 2.296
233 2HG GLU 68 1HG GLU 68 -5.715 13.994 3.549
234 H LYS 69 H LYS 69 -7.300 10.674 4.123
235 HA LYS 69 HA LYS 69 -9.073 12.754 5.353
236 1HB LYS 69 2HB LYS 69 -9.762 9.839 4.727
237 2HB LYS 69 1HB LYS 69 -10.640 10.753 5.948
238 1HG LYS 69 2HG LYS 69 -11.427 12.339 4.343
239 2HG LYS 69 1HG LYS 69 -10.283 11.789 3.127
240 1HD LYS 69 2HD LYS 69 -12.586 10.931 2.703
241 2HD LYS 69 1HD LYS 69 -11.431 9.632 2.966
242 1HE LYS 69 2HE LYS 69 -13.693 9.512 4.234
243 2HE LYS 69 1HE LYS 69 -12.223 9.205 5.151
244 1HZ LYS 69 3HZ LYS 69 -12.255 11.598 5.769
245 2HZ LYS 69 2HZ LYS 69 -13.793 11.713 5.061
246 3HZ LYS 69 1HZ LYS 69 -13.547 10.691 6.395
247 H ALA 70 H ALA 70 -8.569 13.038 7.419
248 HA ALA 70 HA ALA 70 -6.632 11.292 8.717
249 1HB ALA 70 1HB ALA 70 -8.310 13.614 9.801
250 2HB ALA 70 3HB ALA 70 -6.952 12.876 10.645
251 3HB ALA 70 2HB ALA 70 -6.683 13.751 9.141
No H/Q in entry = 251
Start of MODEL 18
1 1H ASP 39 3H ASP 39 -2.223 -13.164 -5.544
2 2H ASP 39 2H ASP 39 -2.219 -14.858 -5.422
3 3H ASP 39 1H ASP 39 -3.272 -14.086 -6.509
4 HA ASP 39 HA ASP 39 -4.730 -14.504 -4.850
5 1HB ASP 39 2HB ASP 39 -3.961 -14.267 -2.390
6 2HB ASP 39 1HB ASP 39 -3.217 -15.593 -3.281
7 H ARG 40 H ARG 40 -5.722 -13.071 -3.071
8 HA ARG 40 HA ARG 40 -6.667 -10.965 -2.670
9 1HB ARG 40 2HB ARG 40 -3.658 -10.512 -2.688
10 2HB ARG 40 1HB ARG 40 -4.750 -9.162 -2.389
11 1HG ARG 40 2HG ARG 40 -5.693 -10.246 -0.458
12 2HG ARG 40 1HG ARG 40 -4.901 -11.766 -0.844
13 1HD ARG 40 2HD ARG 40 -2.779 -10.967 -0.190
14 2HD ARG 40 1HD ARG 40 -3.257 -9.278 -0.361
15 HE ARG 40 HE ARG 40 -4.222 -9.367 1.812
16 1HH1 ARG 40 HH1 ARG 40 -5.189 -12.277 0.839
17 2HH1 ARG 40 HH1 ARG 40 -4.667 -13.193 2.210
18 1HH2 ARG 40 HH2 ARG 40 -2.750 -10.561 3.498
19 2HH2 ARG 40 HH2 ARG 40 -3.255 -12.198 3.754
20 HA PRO 41 HA PRO 41 -6.301 -9.770 -7.127
21 1HB PRO 41 2HB PRO 41 -9.190 -9.903 -7.438
22 2HB PRO 41 1HB PRO 41 -8.001 -11.021 -8.096
23 1HG PRO 41 2HG PRO 41 -9.847 -11.481 -5.874
24 2HG PRO 41 1HG PRO 41 -8.721 -12.632 -6.607
25 1HD PRO 41 1HD PRO 41 -8.458 -11.264 -4.052
26 2HD PRO 41 2HD PRO 41 -7.348 -12.450 -4.758
27 H TYR 42 H TYR 42 -9.527 -8.762 -6.107
28 HA TYR 42 HA TYR 42 -10.209 -6.413 -6.523
29 1HB TYR 42 2HB TYR 42 -9.405 -7.179 -3.688
30 2HB TYR 42 1HB TYR 42 -10.010 -5.557 -3.994
31 HD1 TYR 42 HD1 TYR 42 -12.284 -5.219 -4.923
32 HD2 TYR 42 HD2 TYR 42 -10.913 -9.077 -3.783
33 HE1 TYR 42 HE1 TYR 42 -14.593 -6.032 -4.911
34 HE2 TYR 42 HE2 TYR 42 -13.223 -9.888 -3.756
35 HH TYR 42 HH TYR 42 -15.637 -8.572 -3.409
36 H SER 43 H SER 43 -8.397 -5.805 -7.892
37 HA SER 43 HA SER 43 -6.245 -4.245 -6.570
38 1HB SER 43 2HB SER 43 -5.608 -3.847 -9.068
39 2HB SER 43 1HB SER 43 -5.577 -5.538 -8.534
40 HG SER 43 HG SER 43 -7.655 -5.797 -9.328
41 H CYS 44 H CYS 44 -7.157 -2.418 -5.713
42 HA CYS 44 HA CYS 44 -9.204 -0.817 -6.799
43 1HB CYS 44 2HB CYS 44 -8.588 -0.053 -4.701
44 2HB CYS 44 1HB CYS 44 -6.907 -0.449 -4.940
45 H ASP 45 H ASP 45 -9.029 1.304 -7.859
46 HA ASP 45 HA ASP 45 -6.789 1.335 -9.893
47 1HB ASP 45 2HB ASP 45 -8.483 2.328 -11.456
48 2HB ASP 45 1HB ASP 45 -8.993 0.741 -10.887
49 H HIS 46 H HIS 46 -6.257 2.758 -7.624
50 HA HIS 46 HA HIS 46 -7.122 5.552 -8.091
51 1HB HIS 46 2HB HIS 46 -6.996 4.867 -5.747
52 2HB HIS 46 1HB HIS 46 -5.405 4.159 -5.976
53 HD1 HIS 46 HD1 HIS 46 -7.001 7.433 -5.634
54 HD2 HIS 46 HD2 HIS 46 -3.251 5.931 -5.865
55 HE1 HIS 46 HE1 HIS 46 -5.558 9.303 -5.092
56 HA PRO 47 HA PRO 47 -3.683 6.529 -10.740
57 1HB PRO 47 2HB PRO 47 -3.138 9.047 -9.228
58 2HB PRO 47 1HB PRO 47 -3.667 8.854 -10.903
59 1HG PRO 47 2HG PRO 47 -5.300 9.648 -8.668
60 2HG PRO 47 1HG PRO 47 -5.862 9.286 -10.307
61 1HD PRO 47 1HD PRO 47 -6.278 7.697 -7.923
62 2HD PRO 47 2HD PRO 47 -6.810 7.317 -9.565
63 H GLY 48 H GLY 48 -2.282 4.935 -10.065
64 1HA GLY 48 2HA GLY 48 -0.042 4.426 -9.386
65 2HA GLY 48 1HA GLY 48 -0.040 5.865 -8.370
66 H CYS 49 H CYS 49 -1.338 2.568 -8.625
67 HA CYS 49 HA CYS 49 -1.017 2.293 -5.683
68 1HB CYS 49 2HB CYS 49 -3.311 3.118 -5.953
69 2HB CYS 49 1HB CYS 49 -3.649 1.909 -7.161
70 H ASP 50 H ASP 50 -0.759 0.240 -4.979
71 HA ASP 50 HA ASP 50 -1.031 -2.013 -6.925
72 1HB ASP 50 2HB ASP 50 1.336 -1.240 -7.058
73 2HB ASP 50 1HB ASP 50 1.480 -1.320 -5.304
74 H LYS 51 H LYS 51 -1.812 -0.797 -4.035
75 HA LYS 51 HA LYS 51 -1.292 -2.994 -2.255
76 1HB LYS 51 2HB LYS 51 -3.108 -0.583 -2.271
77 2HB LYS 51 1HB LYS 51 -3.314 -1.790 -1.009
78 1HG LYS 51 2HG LYS 51 -1.113 -1.442 -0.164
79 2HG LYS 51 1HG LYS 51 -0.584 -0.621 -1.628
80 1HD LYS 51 2HD LYS 51 -2.050 1.282 -1.125
81 2HD LYS 51 1HD LYS 51 -2.672 0.455 0.299
82 1HE LYS 51 2HE LYS 51 -0.455 0.476 1.329
83 2HE LYS 51 1HE LYS 51 0.247 1.172 -0.127
84 1HZ LYS 51 3HZ LYS 51 -1.737 2.899 0.442
85 2HZ LYS 51 2HZ LYS 51 -1.221 2.445 1.995
86 3HZ LYS 51 1HZ LYS 51 -0.112 3.103 0.889
87 H ALA 52 H ALA 52 -1.939 -4.867 -3.305
88 HA ALA 52 HA ALA 52 -4.515 -5.253 -4.490
89 1HB ALA 52 1HB ALA 52 -2.175 -6.712 -4.339
90 2HB ALA 52 3HB ALA 52 -3.178 -7.632 -3.223
91 3HB ALA 52 2HB ALA 52 -3.696 -7.395 -4.891
92 H PHE 53 H PHE 53 -6.102 -6.860 -3.669
93 HA PHE 53 HA PHE 53 -6.384 -6.993 -0.719
94 1HB PHE 53 2HB PHE 53 -8.180 -5.393 -2.580
95 2HB PHE 53 1HB PHE 53 -8.791 -5.990 -1.044
96 HD1 PHE 53 HD1 PHE 53 -7.673 -5.238 1.090
97 HD2 PHE 53 HD2 PHE 53 -6.678 -3.537 -2.687
98 HE1 PHE 53 HE1 PHE 53 -6.622 -3.327 2.219
99 HE2 PHE 53 HE2 PHE 53 -5.624 -1.640 -1.549
100 HZ PHE 53 HZ PHE 53 -5.604 -1.527 0.899
101 H VAL 54 H VAL 54 -8.715 -7.940 -0.261
102 HA VAL 54 HA VAL 54 -9.375 -10.034 -2.305
103 HB VAL 54 HB VAL 54 -7.885 -11.021 -0.559
104 1HG1 VAL 54 1HG1 VAL 54 -8.745 -9.328 1.222
105 2HG1 VAL 54 3HG1 VAL 54 -10.014 -10.518 1.504
106 3HG1 VAL 54 2HG1 VAL 54 -8.327 -10.954 1.746
107 1HG2 VAL 54 2HG2 VAL 54 -9.740 -12.363 -1.583
108 2HG2 VAL 54 1HG2 VAL 54 -9.302 -12.912 0.032
109 3HG2 VAL 54 3HG2 VAL 54 -10.749 -11.935 -0.205
110 H ARG 55 H ARG 55 -10.293 -8.592 0.770
111 HA ARG 55 HA ARG 55 -13.087 -9.346 0.469
112 1HB ARG 55 2HB ARG 55 -11.465 -7.622 2.375
113 2HB ARG 55 1HB ARG 55 -13.222 -7.499 2.420
114 1HG ARG 55 2HG ARG 55 -13.482 -9.612 3.345
115 2HG ARG 55 1HG ARG 55 -12.170 -10.308 2.403
116 1HD ARG 55 2HD ARG 55 -11.679 -10.213 4.871
117 2HD ARG 55 1HD ARG 55 -10.504 -9.329 3.899
118 HE ARG 55 HE ARG 55 -12.676 -7.621 4.804
119 1HH1 ARG 55 HH1 ARG 55 -9.406 -8.125 4.761
120 2HH1 ARG 55 HH1 ARG 55 -9.064 -7.426 6.308
121 1HH2 ARG 55 HH2 ARG 55 -12.458 -7.162 7.161
122 2HH2 ARG 55 HH2 ARG 55 -10.840 -6.863 7.704
123 H ASN 56 H ASN 56 -14.846 -7.874 0.188
124 HA ASN 56 HA ASN 56 -14.315 -5.910 -1.895
125 1HB ASN 56 2HB ASN 56 -16.401 -7.253 -1.908
126 2HB ASN 56 1HB ASN 56 -16.857 -6.606 -0.333
127 1HD2 ASN 56 HD2 ASN 56 -16.769 -3.787 -3.321
128 2HD2 ASN 56 HD2 ASN 56 -15.454 -4.844 -3.127
129 H HIS 57 H HIS 57 -15.876 -5.625 1.304
130 HA HIS 57 HA HIS 57 -16.042 -2.841 1.421
131 1HB HIS 57 2HB HIS 57 -15.119 -4.452 3.847
132 2HB HIS 57 1HB HIS 57 -16.279 -3.127 3.788
133 HD1 HIS 57 HD1 HIS 57 -16.208 -6.633 3.857
134 HD2 HIS 57 HD2 HIS 57 -18.730 -3.909 2.226
135 HE1 HIS 57 HE1 HIS 57 -18.252 -7.863 3.442
136 H ASP 58 H ASP 58 -13.213 -4.878 2.086
137 HA ASP 58 HA ASP 58 -11.509 -2.918 3.166
138 1HB ASP 58 2HB ASP 58 -11.019 -5.301 1.325
139 2HB ASP 58 1HB ASP 58 -9.678 -4.292 1.864
140 H LEU 59 H LEU 59 -12.134 -3.704 -0.237
141 HA LEU 59 HA LEU 59 -10.396 -1.737 -1.378
142 1HB LEU 59 2HB LEU 59 -11.991 -3.757 -2.364
143 2HB LEU 59 1HB LEU 59 -13.047 -2.402 -2.723
144 HG LEU 59 HG LEU 59 -11.589 -2.931 -4.646
145 1HD1 LEU 59 HD1 LEU 59 -12.283 -0.551 -4.110
146 2HD1 LEU 59 HD1 LEU 59 -10.699 -0.316 -3.386
147 3HD1 LEU 59 HD1 LEU 59 -10.831 -0.684 -5.098
148 1HD2 LEU 59 HD2 LEU 59 -9.628 -3.575 -2.842
149 2HD2 LEU 59 HD2 LEU 59 -9.291 -3.201 -4.526
150 3HD2 LEU 59 HD2 LEU 59 -9.087 -1.967 -3.293
151 H ILE 60 H ILE 60 -13.746 -1.590 -0.261
152 HA ILE 60 HA ILE 60 -14.146 1.119 -1.195
153 HB ILE 60 HB ILE 60 -15.619 -0.511 0.936
154 1HG1 ILE 60 2HG1 ILE 60 -16.265 -0.034 -2.006
155 2HG1 ILE 60 1HG1 ILE 60 -15.588 -1.521 -1.354
156 1HG2 ILE 60 3HG2 ILE 60 -16.321 2.063 -0.585
157 2HG2 ILE 60 2HG2 ILE 60 -17.490 1.155 0.366
158 3HG2 ILE 60 1HG2 ILE 60 -16.109 1.904 1.155
159 1HD1 ILE 60 HD1 ILE 60 -17.738 -1.296 0.295
160 2HD1 ILE 60 HD1 ILE 60 -18.376 -0.442 -1.108
161 3HD1 ILE 60 HD1 ILE 60 -17.836 -2.111 -1.262
162 H ARG 61 H ARG 61 -12.927 -0.347 1.709
163 HA ARG 61 HA ARG 61 -12.955 2.226 3.171
164 1HB ARG 61 2HB ARG 61 -11.838 -0.538 3.896
165 2HB ARG 61 1HB ARG 61 -11.907 0.831 4.998
166 1HG ARG 61 2HG ARG 61 -14.433 -0.110 3.616
167 2HG ARG 61 1HG ARG 61 -13.847 -0.969 5.034
168 1HD ARG 61 2HD ARG 61 -13.843 1.171 6.315
169 2HD ARG 61 1HD ARG 61 -14.486 2.003 4.902
170 HE ARG 61 HE ARG 61 -16.294 -0.049 5.317
171 1HH1 ARG 61 HH2 ARG 61 -15.070 0.574 8.142
172 2HH1 ARG 61 HH2 ARG 61 -16.328 1.572 8.793
173 1HH2 ARG 61 HH1 ARG 61 -17.851 2.039 5.670
174 2HH2 ARG 61 HH1 ARG 61 -17.944 2.423 7.357
175 H HIS 62 H HIS 62 -10.934 0.405 1.124
176 HA HIS 62 HA HIS 62 -8.431 1.566 2.097
177 1HB HIS 62 2HB HIS 62 -8.073 -0.583 1.162
178 2HB HIS 62 1HB HIS 62 -9.249 -0.321 -0.097
179 HD1 HIS 62 HD1 HIS 62 -5.751 0.235 0.601
180 HD2 HIS 62 HD2 HIS 62 -8.369 1.140 -2.364
181 HE1 HIS 62 HE1 HIS 62 -4.360 0.999 -1.221
182 H LYS 63 H LYS 63 -10.752 2.086 -0.491
183 HA LYS 63 HA LYS 63 -9.187 3.883 -2.045
184 1HB LYS 63 2HB LYS 63 -11.274 2.988 -2.922
185 2HB LYS 63 1HB LYS 63 -12.187 3.639 -1.569
186 1HG LYS 63 2HG LYS 63 -11.860 5.907 -2.325
187 2HG LYS 63 1HG LYS 63 -10.660 5.402 -3.508
188 1HD LYS 63 2HD LYS 63 -12.437 4.060 -4.662
189 2HD LYS 63 1HD LYS 63 -13.616 4.718 -3.532
190 1HE LYS 63 2HE LYS 63 -13.530 5.994 -5.685
191 2HE LYS 63 1HE LYS 63 -13.138 6.990 -4.290
192 1HZ LYS 63 1HZ LYS 63 -10.887 5.664 -5.530
193 2HZ LYS 63 3HZ LYS 63 -11.645 6.844 -6.488
194 3HZ LYS 63 2HZ LYS 63 -11.036 7.256 -4.957
195 H LYS 64 H LYS 64 -11.163 4.387 0.816
196 HA LYS 64 HA LYS 64 -10.986 7.274 0.720
197 1HB LYS 64 2HB LYS 64 -11.630 5.271 2.932
198 2HB LYS 64 1HB LYS 64 -11.674 7.011 3.195
199 1HG LYS 64 2HG LYS 64 -13.291 7.213 1.291
200 2HG LYS 64 1HG LYS 64 -13.305 5.458 1.156
201 1HD LYS 64 2HD LYS 64 -14.284 5.197 3.320
202 2HD LYS 64 1HD LYS 64 -13.948 6.868 3.757
203 1HE LYS 64 2HE LYS 64 -15.767 6.111 1.456
204 2HE LYS 64 1HE LYS 64 -16.362 6.378 3.091
205 1HZ LYS 64 2HZ LYS 64 -14.822 8.552 2.642
206 2HZ LYS 64 1HZ LYS 64 -15.515 8.280 1.115
207 3HZ LYS 64 3HZ LYS 64 -16.512 8.492 2.474
208 H SER 65 H SER 65 -8.659 4.997 1.181
209 HA SER 65 HA SER 65 -7.165 6.427 3.300
210 1HB SER 65 2HB SER 65 -6.157 4.128 1.544
211 2HB SER 65 1HB SER 65 -5.649 4.544 3.193
212 HG SER 65 HG SER 65 -7.648 3.967 3.950
213 H HIS 66 H HIS 66 -7.217 6.127 -0.181
214 HA HIS 66 HA HIS 66 -4.606 7.114 -0.749
215 1HB HIS 66 2HB HIS 66 -7.272 7.067 -2.204
216 2HB HIS 66 1HB HIS 66 -5.982 8.047 -2.889
217 HD1 HIS 66 HD1 HIS 66 -3.714 6.573 -3.136
218 HD2 HIS 66 HD2 HIS 66 -7.146 4.448 -2.957
219 HE1 HIS 66 HE1 HIS 66 -3.141 4.381 -3.996
220 H GLN 67 H GLN 67 -6.954 8.622 1.003
221 HA GLN 67 HA GLN 67 -5.894 11.353 0.284
222 1HB GLN 67 2HB GLN 67 -8.708 10.574 1.214
223 2HB GLN 67 1HB GLN 67 -8.161 12.221 0.923
224 1HG GLN 67 2HG GLN 67 -7.682 11.638 -1.443
225 2HG GLN 67 1HG GLN 67 -8.251 9.997 -1.147
226 1HE2 GLN 67 2HE2 GLN 67 -11.628 11.568 -0.354
227 2HE2 GLN 67 1HE2 GLN 67 -10.456 10.854 0.645
228 H GLU 68 H GLU 68 -4.727 9.694 2.214
229 HA GLU 68 HA GLU 68 -3.987 9.773 4.428
230 1HB GLU 68 2HB GLU 68 -3.932 12.288 3.677
231 2HB GLU 68 1HB GLU 68 -5.399 12.468 4.633
232 1HG GLU 68 2HG GLU 68 -4.229 11.629 6.628
233 2HG GLU 68 1HG GLU 68 -2.766 11.373 5.680
234 H LYS 69 H LYS 69 -4.690 9.149 6.416
235 HA LYS 69 HA LYS 69 -7.434 9.672 7.301
236 1HB LYS 69 2HB LYS 69 -7.547 7.706 5.634
237 2HB LYS 69 1HB LYS 69 -6.583 6.783 6.781
238 1HG LYS 69 2HG LYS 69 -8.370 7.420 8.534
239 2HG LYS 69 1HG LYS 69 -9.362 7.920 7.172
240 1HD LYS 69 2HD LYS 69 -8.157 5.155 7.553
241 2HD LYS 69 1HD LYS 69 -9.845 5.576 7.816
242 1HE LYS 69 2HE LYS 69 -8.313 5.538 5.209
243 2HE LYS 69 1HE LYS 69 -9.787 4.669 5.616
244 1HZ LYS 69 1HZ LYS 69 -9.587 7.620 5.409
245 2HZ LYS 69 3HZ LYS 69 -10.163 6.604 4.178
246 3HZ LYS 69 2HZ LYS 69 -11.001 6.711 5.652
247 H ALA 70 H ALA 70 -5.606 10.555 8.769
248 HA ALA 70 HA ALA 70 -4.241 8.678 10.489
249 1HB ALA 70 3HB ALA 70 -4.942 11.635 10.850
250 2HB ALA 70 2HB ALA 70 -3.845 10.745 11.899
251 3HB ALA 70 1HB ALA 70 -3.430 11.000 10.207
No H/Q in entry = 251
Start of MODEL 19
1 1H ASP 39 1H ASP 39 -11.824 -13.305 -8.409
2 2H ASP 39 3H ASP 39 -11.842 -14.683 -9.401
3 3H ASP 39 2H ASP 39 -11.639 -14.848 -7.723
4 HA ASP 39 HA ASP 39 -9.476 -14.886 -8.067
5 1HB ASP 39 2HB ASP 39 -8.516 -14.237 -10.324
6 2HB ASP 39 1HB ASP 39 -9.822 -15.410 -10.465
7 H ARG 40 H ARG 40 -9.961 -13.117 -6.422
8 HA ARG 40 HA ARG 40 -9.561 -10.963 -5.577
9 1HB ARG 40 2HB ARG 40 -7.250 -12.089 -6.209
10 2HB ARG 40 1HB ARG 40 -7.225 -10.939 -7.540
11 1HG ARG 40 2HG ARG 40 -7.224 -9.062 -6.049
12 2HG ARG 40 1HG ARG 40 -7.652 -10.063 -4.668
13 1HD ARG 40 2HD ARG 40 -5.058 -10.291 -6.224
14 2HD ARG 40 1HD ARG 40 -5.234 -9.481 -4.667
15 HE ARG 40 HE ARG 40 -5.977 -12.375 -4.923
16 1HH1 ARG 40 HH1 ARG 40 -5.135 -9.903 -2.854
17 2HH1 ARG 40 HH1 ARG 40 -3.989 -10.806 -1.920
18 1HH2 ARG 40 HH2 ARG 40 -4.073 -13.551 -4.097
19 2HH2 ARG 40 HH2 ARG 40 -3.372 -12.926 -2.642
20 HA PRO 41 HA PRO 41 -11.134 -8.860 -9.428
21 1HB PRO 41 2HB PRO 41 -13.663 -8.205 -8.232
22 2HB PRO 41 1HB PRO 41 -13.370 -9.503 -9.397
23 1HG PRO 41 2HG PRO 41 -13.893 -9.724 -6.497
24 2HG PRO 41 1HG PRO 41 -13.888 -11.007 -7.715
25 1HD PRO 41 1HD PRO 41 -11.831 -10.451 -5.752
26 2HD PRO 41 2HD PRO 41 -11.796 -11.680 -7.026
27 H TYR 42 H TYR 42 -11.120 -8.060 -6.022
28 HA TYR 42 HA TYR 42 -11.461 -5.206 -6.512
29 1HB TYR 42 2HB TYR 42 -10.851 -6.815 -3.976
30 2HB TYR 42 1HB TYR 42 -10.922 -5.072 -3.998
31 HD1 TYR 42 HD2 TYR 42 -13.302 -4.481 -5.736
32 HD2 TYR 42 HD1 TYR 42 -12.753 -7.513 -2.799
33 HE1 TYR 42 HE2 TYR 42 -15.661 -4.401 -5.246
34 HE2 TYR 42 HE1 TYR 42 -15.139 -7.414 -2.304
35 HH TYR 42 HH TYR 42 -17.366 -5.547 -4.277
36 H SER 43 H SER 43 -9.696 -5.237 -7.985
37 HA SER 43 HA SER 43 -7.009 -5.108 -6.668
38 1HB SER 43 2HB SER 43 -7.463 -6.470 -8.814
39 2HB SER 43 1HB SER 43 -7.668 -4.917 -9.644
40 HG SER 43 HG SER 43 -5.589 -4.479 -8.303
41 H CYS 44 H CYS 44 -7.716 -2.957 -5.657
42 HA CYS 44 HA CYS 44 -8.412 -0.685 -7.137
43 1HB CYS 44 2HB CYS 44 -8.170 -0.740 -4.656
44 2HB CYS 44 1HB CYS 44 -6.440 -0.875 -4.822
45 H ASP 45 H ASP 45 -7.163 1.050 -7.986
46 HA ASP 45 HA ASP 45 -4.301 0.671 -8.456
47 1HB ASP 45 2HB ASP 45 -5.567 -0.802 -10.180
48 2HB ASP 45 1HB ASP 45 -6.154 0.702 -10.884
49 H HIS 46 H HIS 46 -5.713 2.698 -7.220
50 HA HIS 46 HA HIS 46 -6.355 4.861 -8.948
51 1HB HIS 46 2HB HIS 46 -7.115 5.460 -6.825
52 2HB HIS 46 1HB HIS 46 -5.995 4.357 -6.048
53 HD1 HIS 46 HD1 HIS 46 -6.487 7.836 -6.605
54 HD2 HIS 46 HD2 HIS 46 -3.326 5.496 -5.632
55 HE1 HIS 46 HE1 HIS 46 -4.837 9.372 -5.726
56 HA PRO 47 HA PRO 47 -2.542 6.401 -10.461
57 1HB PRO 47 2HB PRO 47 -2.854 9.142 -9.387
58 2HB PRO 47 1HB PRO 47 -2.999 8.598 -11.064
59 1HG PRO 47 2HG PRO 47 -5.155 9.289 -9.217
60 2HG PRO 47 1HG PRO 47 -5.299 8.803 -10.912
61 1HD PRO 47 1HD PRO 47 -6.035 7.235 -8.622
62 2HD PRO 47 2HD PRO 47 -5.974 6.682 -10.305
63 H GLY 48 H GLY 48 -1.072 5.312 -9.185
64 1HA GLY 48 2HA GLY 48 0.957 5.691 -7.858
65 2HA GLY 48 1HA GLY 48 0.075 6.870 -6.893
66 H CYS 49 H CYS 49 -0.845 3.556 -7.837
67 HA CYS 49 HA CYS 49 -0.379 2.566 -5.111
68 1HB CYS 49 2HB CYS 49 -2.464 3.552 -4.623
69 2HB CYS 49 1HB CYS 49 -3.115 3.216 -6.204
70 H ASP 50 H ASP 50 -0.993 0.324 -4.858
71 HA ASP 50 HA ASP 50 -1.635 -1.225 -7.267
72 1HB ASP 50 2HB ASP 50 1.142 -1.219 -5.990
73 2HB ASP 50 1HB ASP 50 0.574 -2.564 -6.974
74 H LYS 51 H LYS 51 -2.335 -0.745 -4.322
75 HA LYS 51 HA LYS 51 -1.843 -3.279 -3.011
76 1HB LYS 51 2HB LYS 51 -3.429 -0.777 -2.480
77 2HB LYS 51 1HB LYS 51 -3.969 -2.214 -1.626
78 1HG LYS 51 2HG LYS 51 -1.031 -1.494 -1.619
79 2HG LYS 51 1HG LYS 51 -2.132 -0.668 -0.523
80 1HD LYS 51 2HD LYS 51 -2.789 -2.741 0.520
81 2HD LYS 51 1HD LYS 51 -1.987 -3.694 -0.720
82 1HE LYS 51 2HE LYS 51 0.201 -2.725 0.001
83 2HE LYS 51 1HE LYS 51 -0.633 -1.874 1.294
84 1HZ LYS 51 3HZ LYS 51 -1.497 -4.222 1.876
85 2HZ LYS 51 2HZ LYS 51 -0.159 -4.754 0.976
86 3HZ LYS 51 1HZ LYS 51 0.073 -3.767 2.339
87 H ALA 52 H ALA 52 -2.810 -5.141 -3.470
88 HA ALA 52 HA ALA 52 -5.341 -5.139 -5.035
89 1HB ALA 52 2HB ALA 52 -3.196 -6.625 -5.459
90 2HB ALA 52 1HB ALA 52 -3.808 -7.615 -4.136
91 3HB ALA 52 3HB ALA 52 -4.775 -7.387 -5.592
92 H PHE 53 H PHE 53 -7.059 -6.645 -4.419
93 HA PHE 53 HA PHE 53 -7.183 -7.423 -1.566
94 1HB PHE 53 2HB PHE 53 -8.957 -5.303 -2.831
95 2HB PHE 53 1HB PHE 53 -9.401 -6.122 -1.352
96 HD1 PHE 53 HD1 PHE 53 -7.457 -6.127 0.503
97 HD2 PHE 53 HD2 PHE 53 -7.697 -3.339 -2.713
98 HE1 PHE 53 HE1 PHE 53 -6.000 -4.572 1.729
99 HE2 PHE 53 HE2 PHE 53 -6.246 -1.807 -1.489
100 HZ PHE 53 HZ PHE 53 -5.400 -2.405 0.735
101 H VAL 54 H VAL 54 -9.007 -8.710 -1.041
102 HA VAL 54 HA VAL 54 -10.290 -10.009 -3.438
103 HB VAL 54 HB VAL 54 -9.663 -11.179 -0.669
104 1HG1 VAL 54 1HG1 VAL 54 -10.778 -12.398 -3.217
105 2HG1 VAL 54 3HG1 VAL 54 -10.242 -13.339 -1.830
106 3HG1 VAL 54 2HG1 VAL 54 -11.612 -12.242 -1.674
107 1HG2 VAL 54 3HG2 VAL 54 -7.675 -10.689 -2.197
108 2HG2 VAL 54 2HG2 VAL 54 -7.862 -12.376 -1.726
109 3HG2 VAL 54 1HG2 VAL 54 -8.367 -11.848 -3.328
110 H ARG 55 H ARG 55 -10.725 -8.672 -0.234
111 HA ARG 55 HA ARG 55 -13.661 -9.250 -0.339
112 1HB ARG 55 2HB ARG 55 -12.015 -7.985 1.905
113 2HB ARG 55 1HB ARG 55 -13.637 -8.652 2.035
114 1HG ARG 55 2HG ARG 55 -12.605 -10.882 1.252
115 2HG ARG 55 1HG ARG 55 -11.040 -10.140 1.570
116 1HD ARG 55 2HD ARG 55 -11.650 -11.301 3.587
117 2HD ARG 55 1HD ARG 55 -11.923 -9.590 3.910
118 HE ARG 55 HE ARG 55 -14.366 -10.513 2.943
119 1HH1 ARG 55 HH2 ARG 55 -12.200 -10.944 5.554
120 2HH1 ARG 55 HH2 ARG 55 -13.361 -11.699 6.595
121 1HH2 ARG 55 HH1 ARG 55 -15.883 -11.637 4.160
122 2HH2 ARG 55 HH1 ARG 55 -15.502 -12.101 5.785
123 H ASN 56 H ASN 56 -15.075 -7.442 0.448
124 HA ASN 56 HA ASN 56 -14.510 -5.061 -1.164
125 1HB ASN 56 2HB ASN 56 -16.807 -6.264 -0.788
126 2HB ASN 56 1HB ASN 56 -16.854 -5.411 0.753
127 1HD2 ASN 56 HD2 ASN 56 -18.512 -2.959 -1.284
128 2HD2 ASN 56 HD2 ASN 56 -18.795 -4.295 -0.276
129 H HIS 57 H HIS 57 -15.467 -5.456 2.259
130 HA HIS 57 HA HIS 57 -15.139 -2.930 3.245
131 1HB HIS 57 2HB HIS 57 -13.735 -5.220 4.686
132 2HB HIS 57 1HB HIS 57 -14.702 -3.920 5.380
133 HD1 HIS 57 HD1 HIS 57 -15.132 -7.169 5.223
134 HD2 HIS 57 HD2 HIS 57 -17.443 -4.248 3.623
135 HE1 HIS 57 HE1 HIS 57 -17.303 -8.198 4.932
136 H ASP 58 H ASP 58 -12.428 -5.107 2.518
137 HA ASP 58 HA ASP 58 -10.413 -3.331 3.492
138 1HB ASP 58 2HB ASP 58 -10.322 -5.416 1.247
139 2HB ASP 58 1HB ASP 58 -8.899 -4.666 1.965
140 H LEU 59 H LEU 59 -11.657 -3.858 0.198
141 HA LEU 59 HA LEU 59 -10.127 -1.764 -1.006
142 1HB LEU 59 2HB LEU 59 -11.287 -3.494 -2.354
143 2HB LEU 59 1HB LEU 59 -12.850 -2.990 -1.742
144 HG LEU 59 HG LEU 59 -12.668 -0.855 -2.877
145 1HD1 LEU 59 HD1 LEU 59 -9.837 -1.799 -3.416
146 2HD1 LEU 59 HD1 LEU 59 -10.580 -0.583 -4.454
147 3HD1 LEU 59 HD1 LEU 59 -10.351 -0.261 -2.745
148 1HD2 LEU 59 HD2 LEU 59 -11.819 -3.087 -4.702
149 2HD2 LEU 59 HD2 LEU 59 -13.467 -2.712 -4.225
150 3HD2 LEU 59 HD2 LEU 59 -12.560 -1.585 -5.219
151 H ILE 60 H ILE 60 -13.075 -1.763 0.873
152 HA ILE 60 HA ILE 60 -13.871 0.907 0.069
153 HB ILE 60 HB ILE 60 -14.640 -0.776 2.504
154 1HG1 ILE 60 2HG1 ILE 60 -16.076 -0.274 -0.138
155 2HG1 ILE 60 1HG1 ILE 60 -15.247 -1.759 0.297
156 1HG2 ILE 60 1HG2 ILE 60 -15.870 1.776 1.303
157 2HG2 ILE 60 3HG2 ILE 60 -16.624 0.832 2.580
158 3HG2 ILE 60 2HG2 ILE 60 -15.104 1.653 2.882
159 1HD1 ILE 60 HD1 ILE 60 -16.873 -1.589 2.451
160 2HD1 ILE 60 HD1 ILE 60 -17.861 -0.686 1.307
161 3HD1 ILE 60 HD1 ILE 60 -17.403 -2.347 0.954
162 H ARG 61 H ARG 61 -12.376 -0.430 2.987
163 HA ARG 61 HA ARG 61 -11.948 2.192 4.136
164 1HB ARG 61 2HB ARG 61 -12.011 -0.141 5.331
165 2HB ARG 61 1HB ARG 61 -10.345 -0.326 4.793
166 1HG ARG 61 2HG ARG 61 -9.967 2.027 5.862
167 2HG ARG 61 1HG ARG 61 -11.495 1.741 6.684
168 1HD ARG 61 2HD ARG 61 -9.891 0.901 8.212
169 2HD ARG 61 1HD ARG 61 -10.441 -0.552 7.374
170 HE ARG 61 HE ARG 61 -8.336 0.063 5.820
171 1HH1 ARG 61 HH1 ARG 61 -8.793 -0.544 9.127
172 2HH1 ARG 61 HH1 ARG 61 -7.112 -0.486 9.545
173 1HH2 ARG 61 HH2 ARG 61 -6.139 0.502 6.325
174 2HH2 ARG 61 HH2 ARG 61 -5.571 0.122 7.917
175 H HIS 62 H HIS 62 -10.281 0.200 1.864
176 HA HIS 62 HA HIS 62 -7.724 1.569 2.177
177 1HB HIS 62 2HB HIS 62 -7.615 -0.728 1.408
178 2HB HIS 62 1HB HIS 62 -8.804 -0.417 0.168
179 HD1 HIS 62 HD1 HIS 62 -5.283 0.108 0.846
180 HD2 HIS 62 HD2 HIS 62 -7.899 0.839 -2.177
181 HE1 HIS 62 HE1 HIS 62 -3.900 0.921 -0.968
182 H LYS 63 H LYS 63 -10.360 1.579 -0.219
183 HA LYS 63 HA LYS 63 -9.072 3.553 -1.890
184 1HB LYS 63 2HB LYS 63 -10.936 1.982 -2.606
185 2HB LYS 63 1HB LYS 63 -12.051 2.937 -1.643
186 1HG LYS 63 2HG LYS 63 -11.578 4.927 -2.977
187 2HG LYS 63 1HG LYS 63 -10.322 4.078 -3.870
188 1HD LYS 63 2HD LYS 63 -13.124 2.932 -3.851
189 2HD LYS 63 1HD LYS 63 -12.781 4.310 -4.887
190 1HE LYS 63 2HE LYS 63 -11.218 3.116 -6.185
191 2HE LYS 63 1HE LYS 63 -10.941 1.915 -4.932
192 1HZ LYS 63 2HZ LYS 63 -13.657 1.902 -5.683
193 2HZ LYS 63 1HZ LYS 63 -12.687 1.753 -7.068
194 3HZ LYS 63 3HZ LYS 63 -12.513 0.651 -5.786
195 H LYS 64 H LYS 64 -11.311 3.725 0.809
196 HA LYS 64 HA LYS 64 -12.157 6.398 0.568
197 1HB LYS 64 2HB LYS 64 -12.794 4.608 2.344
198 2HB LYS 64 1HB LYS 64 -11.346 5.106 3.212
199 1HG LYS 64 2HG LYS 64 -12.175 7.398 3.360
200 2HG LYS 64 1HG LYS 64 -13.569 6.993 2.364
201 1HD LYS 64 2HD LYS 64 -14.387 5.446 4.067
202 2HD LYS 64 1HD LYS 64 -12.940 5.697 5.037
203 1HE LYS 64 2HE LYS 64 -14.634 7.102 5.988
204 2HE LYS 64 1HE LYS 64 -13.557 8.169 5.097
205 1HZ LYS 64 3HZ LYS 64 -15.263 7.632 3.188
206 2HZ LYS 64 2HZ LYS 64 -16.302 7.383 4.509
207 3HZ LYS 64 1HZ LYS 64 -15.531 8.882 4.304
208 H SER 65 H SER 65 -9.014 5.255 0.920
209 HA SER 65 HA SER 65 -8.005 7.659 2.337
210 1HB SER 65 2HB SER 65 -5.838 6.485 2.248
211 2HB SER 65 1HB SER 65 -7.061 5.259 2.639
212 HG SER 65 HG SER 65 -5.507 5.017 0.698
213 H HIS 66 H HIS 66 -8.324 6.428 -0.902
214 HA HIS 66 HA HIS 66 -6.336 8.183 -2.077
215 1HB HIS 66 2HB HIS 66 -8.678 6.571 -3.196
216 2HB HIS 66 1HB HIS 66 -7.656 7.563 -4.232
217 HD1 HIS 66 HD1 HIS 66 -5.002 6.914 -3.010
218 HD2 HIS 66 HD2 HIS 66 -7.756 4.031 -3.747
219 HE1 HIS 66 HE1 HIS 66 -3.723 4.869 -3.180
220 H GLN 67 H GLN 67 -8.684 9.256 -0.366
221 HA GLN 67 HA GLN 67 -9.759 11.244 -2.358
222 1HB GLN 67 2HB GLN 67 -10.730 10.281 0.376
223 2HB GLN 67 1HB GLN 67 -11.392 11.723 -0.387
224 1HG GLN 67 2HG GLN 67 -12.777 9.763 -0.935
225 2HG GLN 67 1HG GLN 67 -11.983 10.366 -2.390
226 1HE2 GLN 67 2HE2 GLN 67 -10.923 7.028 -2.898
227 2HE2 GLN 67 1HE2 GLN 67 -11.900 8.298 -3.459
228 H GLU 68 H GLU 68 -7.205 11.033 -0.442
229 HA GLU 68 HA GLU 68 -5.826 12.599 0.614
230 1HB GLU 68 2HB GLU 68 -6.552 13.818 -1.600
231 2HB GLU 68 1HB GLU 68 -7.630 14.754 -0.573
232 1HG GLU 68 2HG GLU 68 -5.671 15.386 0.848
233 2HG GLU 68 1HG GLU 68 -4.616 14.524 -0.270
234 H LYS 69 H LYS 69 -5.713 13.743 2.521
235 HA LYS 69 HA LYS 69 -8.169 14.822 3.751
236 1HB LYS 69 2HB LYS 69 -6.649 12.411 4.869
237 2HB LYS 69 1HB LYS 69 -7.788 13.355 5.822
238 1HG LYS 69 2HG LYS 69 -9.486 12.898 3.926
239 2HG LYS 69 1HG LYS 69 -8.350 11.677 3.364
240 1HD LYS 69 2HD LYS 69 -8.459 10.529 5.525
241 2HD LYS 69 1HD LYS 69 -9.501 11.790 6.172
242 1HE LYS 69 2HE LYS 69 -10.867 9.878 5.481
243 2HE LYS 69 1HE LYS 69 -11.197 11.247 4.427
244 1HZ LYS 69 2HZ LYS 69 -9.243 10.118 3.074
245 2HZ LYS 69 1HZ LYS 69 -9.854 8.732 3.842
246 3HZ LYS 69 3HZ LYS 69 -10.871 9.677 2.864
247 H ALA 70 H ALA 70 -7.572 15.466 6.134
248 HA ALA 70 HA ALA 70 -6.336 17.018 7.381
249 1HB ALA 70 1HB ALA 70 -4.996 14.822 7.575
250 2HB ALA 70 3HB ALA 70 -3.950 15.443 6.303
251 3HB ALA 70 2HB ALA 70 -4.057 16.289 7.843
No H/Q in entry = 251
Start of MODEL 20
1 1H ASP 39 1H ASP 39 -8.952 -13.143 -10.525
2 2H ASP 39 3H ASP 39 -8.704 -14.703 -9.900
3 3H ASP 39 2H ASP 39 -9.798 -14.465 -11.177
4 HA ASP 39 HA ASP 39 -11.404 -13.556 -9.869
5 1HB ASP 39 2HB ASP 39 -11.411 -14.914 -7.696
6 2HB ASP 39 1HB ASP 39 -11.148 -15.886 -9.142
7 H ARG 40 H ARG 40 -10.850 -11.356 -9.642
8 HA ARG 40 HA ARG 40 -10.150 -10.633 -6.851
9 1HB ARG 40 2HB ARG 40 -8.531 -9.894 -9.325
10 2HB ARG 40 1HB ARG 40 -8.536 -8.827 -7.924
11 1HG ARG 40 2HG ARG 40 -7.848 -10.788 -6.504
12 2HG ARG 40 1HG ARG 40 -7.696 -11.743 -7.976
13 1HD ARG 40 2HD ARG 40 -6.125 -9.896 -8.832
14 2HD ARG 40 1HD ARG 40 -6.102 -9.295 -7.174
15 HE ARG 40 HE ARG 40 -5.475 -11.957 -6.861
16 1HH1 ARG 40 HH2 ARG 40 -4.047 -9.083 -7.807
17 2HH1 ARG 40 HH2 ARG 40 -2.569 -9.782 -8.379
18 1HH2 ARG 40 HH1 ARG 40 -3.757 -13.063 -8.039
19 2HH2 ARG 40 HH1 ARG 40 -2.401 -12.095 -8.514
20 HA PRO 41 HA PRO 41 -13.472 -8.139 -9.043
21 1HB PRO 41 2HB PRO 41 -14.974 -8.441 -6.513
22 2HB PRO 41 1HB PRO 41 -15.465 -8.929 -8.136
23 1HG PRO 41 2HG PRO 41 -14.641 -10.672 -6.011
24 2HG PRO 41 1HG PRO 41 -14.902 -11.134 -7.699
25 1HD PRO 41 1HD PRO 41 -12.358 -10.846 -6.267
26 2HD PRO 41 2HD PRO 41 -12.632 -11.482 -7.898
27 H TYR 42 H TYR 42 -11.387 -7.971 -6.487
28 HA TYR 42 HA TYR 42 -11.903 -5.079 -6.092
29 1HB TYR 42 2HB TYR 42 -11.291 -7.132 -3.881
30 2HB TYR 42 1HB TYR 42 -11.349 -5.386 -3.651
31 HD1 TYR 42 HD2 TYR 42 -13.436 -8.299 -4.681
32 HD2 TYR 42 HD1 TYR 42 -13.422 -4.263 -3.349
33 HE1 TYR 42 HE2 TYR 42 -15.864 -8.399 -4.344
34 HE2 TYR 42 HE1 TYR 42 -15.848 -4.358 -3.028
35 HH TYR 42 HH TYR 42 -17.732 -7.135 -4.047
36 H SER 43 H SER 43 -10.219 -4.523 -7.277
37 HA SER 43 HA SER 43 -7.532 -5.025 -6.103
38 1HB SER 43 2HB SER 43 -6.751 -5.302 -8.618
39 2HB SER 43 1HB SER 43 -7.568 -6.687 -7.872
40 HG SER 43 HG SER 43 -8.433 -4.985 -9.842
41 H CYS 44 H CYS 44 -8.025 -2.789 -5.442
42 HA CYS 44 HA CYS 44 -8.474 -0.636 -7.168
43 1HB CYS 44 2HB CYS 44 -8.246 -0.623 -4.618
44 2HB CYS 44 1HB CYS 44 -6.517 -0.650 -4.840
45 H ASP 45 H ASP 45 -6.999 0.965 -7.988
46 HA ASP 45 HA ASP 45 -4.189 0.493 -8.300
47 1HB ASP 45 2HB ASP 45 -4.339 -0.046 -10.822
48 2HB ASP 45 1HB ASP 45 -4.831 -1.360 -9.757
49 H HIS 46 H HIS 46 -5.167 2.744 -7.573
50 HA HIS 46 HA HIS 46 -5.657 4.469 -9.953
51 1HB HIS 46 2HB HIS 46 -7.098 5.504 -8.456
52 2HB HIS 46 1HB HIS 46 -6.575 4.413 -7.188
53 HD1 HIS 46 HD1 HIS 46 -6.817 7.768 -7.649
54 HD2 HIS 46 HD2 HIS 46 -3.816 5.490 -6.168
55 HE1 HIS 46 HE1 HIS 46 -5.509 9.284 -6.295
56 HA PRO 47 HA PRO 47 -1.716 6.300 -10.262
57 1HB PRO 47 2HB PRO 47 -2.540 9.051 -9.509
58 2HB PRO 47 1HB PRO 47 -2.058 8.443 -11.097
59 1HG PRO 47 2HG PRO 47 -4.755 9.036 -10.180
60 2HG PRO 47 1HG PRO 47 -4.276 8.411 -11.763
61 1HD PRO 47 1HD PRO 47 -5.647 6.963 -9.683
62 2HD PRO 47 2HD PRO 47 -5.030 6.303 -11.207
63 H GLY 48 H GLY 48 -0.352 5.703 -8.695
64 1HA GLY 48 2HA GLY 48 1.019 6.286 -6.786
65 2HA GLY 48 1HA GLY 48 -0.297 7.278 -6.163
66 H CYS 49 H CYS 49 -0.862 4.034 -7.365
67 HA CYS 49 HA CYS 49 -0.836 2.913 -4.607
68 1HB CYS 49 2HB CYS 49 -3.061 3.787 -4.750
69 2HB CYS 49 1HB CYS 49 -3.262 3.236 -6.383
70 H ASP 50 H ASP 50 -1.380 0.620 -4.586
71 HA ASP 50 HA ASP 50 -1.362 -0.931 -7.022
72 1HB ASP 50 2HB ASP 50 0.947 -1.923 -6.639
73 2HB ASP 50 1HB ASP 50 1.006 -0.216 -7.073
74 H LYS 51 H LYS 51 -2.561 -0.679 -4.247
75 HA LYS 51 HA LYS 51 -1.830 -3.227 -2.967
76 1HB LYS 51 2HB LYS 51 -3.891 -1.055 -2.363
77 2HB LYS 51 1HB LYS 51 -3.828 -2.549 -1.435
78 1HG LYS 51 2HG LYS 51 -1.218 -1.887 -1.225
79 2HG LYS 51 1HG LYS 51 -1.844 -0.272 -1.528
80 1HD LYS 51 2HD LYS 51 -3.381 -0.486 0.384
81 2HD LYS 51 1HD LYS 51 -2.848 -2.140 0.655
82 1HE LYS 51 2HE LYS 51 -0.941 0.213 0.685
83 2HE LYS 51 1HE LYS 51 -1.748 -0.372 2.135
84 1HZ LYS 51 2HZ LYS 51 -0.761 -2.638 1.103
85 2HZ LYS 51 1HZ LYS 51 0.439 -1.525 0.648
86 3HZ LYS 51 3HZ LYS 51 0.018 -1.700 2.284
87 H ALA 52 H ALA 52 -2.641 -5.102 -3.570
88 HA ALA 52 HA ALA 52 -5.066 -5.213 -5.266
89 1HB ALA 52 2HB ALA 52 -3.093 -7.324 -4.254
90 2HB ALA 52 1HB ALA 52 -4.468 -7.704 -5.286
91 3HB ALA 52 3HB ALA 52 -3.182 -6.662 -5.884
92 H PHE 53 H PHE 53 -6.775 -6.782 -4.768
93 HA PHE 53 HA PHE 53 -7.058 -7.564 -1.929
94 1HB PHE 53 2HB PHE 53 -8.825 -5.482 -3.287
95 2HB PHE 53 1HB PHE 53 -9.292 -6.300 -1.808
96 HD1 PHE 53 HD2 PHE 53 -7.578 -6.148 0.174
97 HD2 PHE 53 HD1 PHE 53 -7.441 -3.575 -3.220
98 HE1 PHE 53 HE2 PHE 53 -6.213 -4.537 1.434
99 HE2 PHE 53 HE1 PHE 53 -6.100 -1.966 -1.947
100 HZ PHE 53 HZ PHE 53 -5.500 -2.433 0.382
101 H VAL 54 H VAL 54 -9.631 -8.182 -1.756
102 HA VAL 54 HA VAL 54 -10.600 -9.531 -4.169
103 HB VAL 54 HB VAL 54 -8.719 -10.983 -3.059
104 1HG1 VAL 54 2HG1 VAL 54 -9.657 -10.589 -0.718
105 2HG1 VAL 54 1HG1 VAL 54 -10.932 -11.725 -1.148
106 3HG1 VAL 54 3HG1 VAL 54 -9.255 -12.254 -1.115
107 1HG2 VAL 54 3HG2 VAL 54 -11.502 -12.011 -3.627
108 2HG2 VAL 54 2HG2 VAL 54 -10.122 -11.980 -4.720
109 3HG2 VAL 54 1HG2 VAL 54 -10.137 -13.091 -3.354
110 H ARG 55 H ARG 55 -10.786 -9.196 -0.659
111 HA ARG 55 HA ARG 55 -13.583 -9.996 -0.501
112 1HB ARG 55 2HB ARG 55 -11.741 -8.464 1.409
113 2HB ARG 55 1HB ARG 55 -13.382 -8.924 1.833
114 1HG ARG 55 2HG ARG 55 -11.209 -10.876 1.002
115 2HG ARG 55 1HG ARG 55 -11.686 -10.567 2.660
116 1HD ARG 55 2HD ARG 55 -14.128 -11.142 1.682
117 2HD ARG 55 1HD ARG 55 -13.169 -12.049 0.510
118 HE ARG 55 HE ARG 55 -13.454 -12.678 3.362
119 1HH1 ARG 55 HH1 ARG 55 -10.592 -12.741 3.126
120 2HH1 ARG 55 HH1 ARG 55 -10.242 -14.297 2.451
121 1HH2 ARG 55 HH2 ARG 55 -13.530 -14.777 1.335
122 2HH2 ARG 55 HH2 ARG 55 -11.948 -15.480 1.411
123 H ASN 56 H ASN 56 -14.691 -7.954 1.114
124 HA ASN 56 HA ASN 56 -14.681 -5.534 -0.666
125 1HB ASN 56 2HB ASN 56 -16.606 -7.148 -1.247
126 2HB ASN 56 1HB ASN 56 -17.234 -6.877 0.375
127 1HD2 ASN 56 HD2 ASN 56 -18.985 -4.379 -1.651
128 2HD2 ASN 56 HD2 ASN 56 -19.025 -6.053 -1.375
129 H HIS 57 H HIS 57 -13.392 -5.118 1.354
130 HA HIS 57 HA HIS 57 -14.971 -3.331 2.991
131 1HB HIS 57 2HB HIS 57 -14.755 -4.449 5.119
132 2HB HIS 57 1HB HIS 57 -15.147 -5.782 4.041
133 HD1 HIS 57 HD1 HIS 57 -13.515 -7.601 4.205
134 HD2 HIS 57 HD2 HIS 57 -11.776 -4.141 5.407
135 HE1 HIS 57 HE1 HIS 57 -11.299 -8.252 4.938
136 H ASP 58 H ASP 58 -11.995 -5.075 2.426
137 HA ASP 58 HA ASP 58 -10.343 -3.095 3.709
138 1HB ASP 58 2HB ASP 58 -9.845 -5.639 2.933
139 2HB ASP 58 1HB ASP 58 -9.332 -4.863 1.437
140 H LEU 59 H LEU 59 -11.789 -3.596 0.557
141 HA LEU 59 HA LEU 59 -10.166 -1.609 -0.836
142 1HB LEU 59 2HB LEU 59 -11.956 -3.571 -1.624
143 2HB LEU 59 1HB LEU 59 -13.015 -2.173 -1.724
144 HG LEU 59 HG LEU 59 -11.932 -2.549 -3.899
145 1HD1 LEU 59 HD1 LEU 59 -12.306 -0.188 -3.045
146 2HD1 LEU 59 HD1 LEU 59 -10.607 -0.147 -2.599
147 3HD1 LEU 59 HD1 LEU 59 -11.067 -0.331 -4.285
148 1HD2 LEU 59 HD2 LEU 59 -9.782 -3.525 -2.522
149 2HD2 LEU 59 HD2 LEU 59 -9.680 -3.006 -4.199
150 3HD2 LEU 59 HD2 LEU 59 -9.170 -1.925 -2.908
151 H ILE 60 H ILE 60 -12.989 -1.612 1.160
152 HA ILE 60 HA ILE 60 -13.886 1.019 0.456
153 HB ILE 60 HB ILE 60 -14.328 -0.496 3.068
154 1HG1 ILE 60 2HG1 ILE 60 -15.857 -0.645 0.439
155 2HG1 ILE 60 1HG1 ILE 60 -14.869 -1.924 1.129
156 1HG2 ILE 60 1HG2 ILE 60 -15.058 1.960 2.878
157 2HG2 ILE 60 3HG2 ILE 60 -16.109 1.488 1.547
158 3HG2 ILE 60 2HG2 ILE 60 -16.394 0.849 3.162
159 1HD1 ILE 60 HD1 ILE 60 -16.464 -1.563 3.249
160 2HD1 ILE 60 HD1 ILE 60 -17.553 -0.904 2.031
161 3HD1 ILE 60 HD1 ILE 60 -16.985 -2.565 1.895
162 H ARG 61 H ARG 61 -12.241 -0.198 3.349
163 HA ARG 61 HA ARG 61 -11.697 2.437 4.366
164 1HB ARG 61 2HB ARG 61 -11.642 0.201 5.664
165 2HB ARG 61 1HB ARG 61 -10.082 -0.105 4.907
166 1HG ARG 61 2HG ARG 61 -9.340 2.168 5.812
167 2HG ARG 61 1HG ARG 61 -10.820 2.179 6.763
168 1HD ARG 61 2HD ARG 61 -10.165 0.169 7.942
169 2HD ARG 61 1HD ARG 61 -8.798 -0.087 6.858
170 HE ARG 61 HE ARG 61 -8.752 1.585 9.176
171 1HH1 ARG 61 HH1 ARG 61 -6.783 0.498 6.859
172 2HH1 ARG 61 HH1 ARG 61 -5.887 1.956 6.592
173 1HH2 ARG 61 HH2 ARG 61 -8.121 3.909 8.455
174 2HH2 ARG 61 HH2 ARG 61 -6.664 3.939 7.520
175 H HIS 62 H HIS 62 -10.171 0.397 2.032
176 HA HIS 62 HA HIS 62 -7.611 1.780 2.105
177 1HB HIS 62 2HB HIS 62 -7.619 -0.535 1.345
178 2HB HIS 62 1HB HIS 62 -8.856 -0.171 0.169
179 HD1 HIS 62 HD1 HIS 62 -5.291 0.240 0.646
180 HD2 HIS 62 HD2 HIS 62 -8.083 1.069 -2.167
181 HE1 HIS 62 HE1 HIS 62 -4.019 1.046 -1.254
182 H LYS 63 H LYS 63 -10.392 1.756 -0.155
183 HA LYS 63 HA LYS 63 -9.234 3.693 -1.944
184 1HB LYS 63 2HB LYS 63 -11.179 2.258 -2.558
185 2HB LYS 63 1HB LYS 63 -12.172 3.065 -1.350
186 1HG LYS 63 2HG LYS 63 -12.192 5.111 -2.549
187 2HG LYS 63 1HG LYS 63 -10.780 4.674 -3.505
188 1HD LYS 63 2HD LYS 63 -12.899 4.525 -4.818
189 2HD LYS 63 1HD LYS 63 -12.075 2.975 -4.703
190 1HE LYS 63 2HE LYS 63 -13.585 2.184 -3.026
191 2HE LYS 63 1HE LYS 63 -14.236 3.796 -2.750
192 1HZ LYS 63 2HZ LYS 63 -14.603 3.287 -5.432
193 2HZ LYS 63 1HZ LYS 63 -15.034 1.847 -4.641
194 3HZ LYS 63 3HZ LYS 63 -15.792 3.307 -4.219
195 H LYS 64 H LYS 64 -10.635 4.000 1.168
196 HA LYS 64 HA LYS 64 -11.677 6.645 0.989
197 1HB LYS 64 2HB LYS 64 -10.489 4.968 3.240
198 2HB LYS 64 1HB LYS 64 -10.959 6.636 3.551
199 1HG LYS 64 2HG LYS 64 -12.919 4.785 2.171
200 2HG LYS 64 1HG LYS 64 -12.713 4.667 3.914
201 1HD LYS 64 2HD LYS 64 -13.187 7.113 4.113
202 2HD LYS 64 1HD LYS 64 -13.469 7.181 2.378
203 1HE LYS 64 2HE LYS 64 -15.269 5.466 2.639
204 2HE LYS 64 1HE LYS 64 -15.023 5.510 4.380
205 1HZ LYS 64 2HZ LYS 64 -15.336 8.134 3.422
206 2HZ LYS 64 1HZ LYS 64 -16.617 7.181 2.842
207 3HZ LYS 64 3HZ LYS 64 -16.316 7.274 4.511
208 H SER 65 H SER 65 -8.502 5.493 0.729
209 HA SER 65 HA SER 65 -7.253 8.031 1.628
210 1HB SER 65 2HB SER 65 -5.996 5.545 0.329
211 2HB SER 65 1HB SER 65 -5.128 6.841 1.176
212 HG SER 65 HG SER 65 -5.996 6.225 3.055
213 H HIS 66 H HIS 66 -8.828 7.055 -1.083
214 HA HIS 66 HA HIS 66 -7.056 8.637 -2.932
215 1HB HIS 66 2HB HIS 66 -9.231 6.567 -3.508
216 2HB HIS 66 1HB HIS 66 -8.350 7.450 -4.748
217 HD1 HIS 66 HD1 HIS 66 -5.623 7.191 -3.333
218 HD2 HIS 66 HD2 HIS 66 -8.122 4.071 -3.991
219 HE1 HIS 66 HE1 HIS 66 -4.182 5.251 -3.358
220 H GLN 67 H GLN 67 -10.512 7.843 -2.837
221 HA GLN 67 HA GLN 67 -11.430 10.147 -4.142
222 1HB GLN 67 2HB GLN 67 -13.610 9.689 -2.940
223 2HB GLN 67 1HB GLN 67 -12.906 8.234 -3.636
224 1HG GLN 67 2HG GLN 67 -11.932 7.644 -1.440
225 2HG GLN 67 1HG GLN 67 -12.612 9.111 -0.738
226 1HE2 GLN 67 2HE2 GLN 67 -15.811 7.720 -0.301
227 2HE2 GLN 67 1HE2 GLN 67 -14.777 9.045 -0.057
228 H GLU 68 H GLU 68 -9.808 10.099 -1.236
229 HA GLU 68 HA GLU 68 -11.193 12.028 0.313
230 1HB GLU 68 2HB GLU 68 -8.857 12.462 1.285
231 2HB GLU 68 1HB GLU 68 -9.317 10.768 1.252
232 1HG GLU 68 2HG GLU 68 -7.959 10.318 -0.655
233 2HG GLU 68 1HG GLU 68 -7.756 12.023 -1.017
234 H LYS 69 H LYS 69 -8.426 13.673 0.130
235 HA LYS 69 HA LYS 69 -9.659 15.862 -1.326
236 1HB LYS 69 2HB LYS 69 -7.333 16.918 -0.908
237 2HB LYS 69 1HB LYS 69 -8.214 16.432 0.535
238 1HG LYS 69 2HG LYS 69 -6.919 14.429 0.764
239 2HG LYS 69 1HG LYS 69 -6.231 14.606 -0.845
240 1HD LYS 69 2HD LYS 69 -4.950 16.530 -0.177
241 2HD LYS 69 1HD LYS 69 -5.815 16.649 1.353
242 1HE LYS 69 2HE LYS 69 -4.904 14.428 2.013
243 2HE LYS 69 1HE LYS 69 -4.000 14.367 0.506
244 1HZ LYS 69 2HZ LYS 69 -2.873 16.419 1.178
245 2HZ LYS 69 1HZ LYS 69 -3.693 16.376 2.665
246 3HZ LYS 69 3HZ LYS 69 -2.596 15.142 2.262
247 H ALA 70 H ALA 70 -9.319 13.548 -2.941
248 HA ALA 70 HA ALA 70 -7.982 14.792 -5.204
249 1HB ALA 70 2HB ALA 70 -6.788 12.318 -3.861
250 2HB ALA 70 1HB ALA 70 -6.365 12.827 -5.493
251 3HB ALA 70 3HB ALA 70 -5.990 13.866 -4.122
No H/Q in entry = 251
Start of MODEL 21
1 1H ASP 39 2H ASP 39 -9.675 -14.411 -7.112
2 2H ASP 39 1H ASP 39 -8.814 -15.740 -6.498
3 3H ASP 39 3H ASP 39 -9.058 -14.366 -5.530
4 HA ASP 39 HA ASP 39 -6.811 -14.402 -6.338
5 1HB ASP 39 2HB ASP 39 -7.503 -15.690 -8.482
6 2HB ASP 39 1HB ASP 39 -8.023 -14.136 -9.129
7 H ARG 40 H ARG 40 -7.408 -12.516 -5.077
8 HA ARG 40 HA ARG 40 -7.787 -10.211 -4.784
9 1HB ARG 40 2HB ARG 40 -6.199 -10.310 -7.393
10 2HB ARG 40 1HB ARG 40 -6.398 -8.865 -6.409
11 1HG ARG 40 2HG ARG 40 -5.139 -9.768 -4.610
12 2HG ARG 40 1HG ARG 40 -5.311 -11.419 -5.198
13 1HD ARG 40 2HD ARG 40 -3.038 -10.117 -5.587
14 2HD ARG 40 1HD ARG 40 -3.690 -11.142 -6.867
15 HE ARG 40 HE ARG 40 -4.252 -8.186 -6.817
16 1HH1 ARG 40 HH1 ARG 40 -2.136 -10.436 -8.080
17 2HH1 ARG 40 HH1 ARG 40 -2.374 -10.019 -9.744
18 1HH2 ARG 40 HH2 ARG 40 -5.058 -7.881 -9.035
19 2HH2 ARG 40 HH2 ARG 40 -4.071 -8.535 -10.299
20 HA PRO 41 HA PRO 41 -11.179 -10.088 -7.984
21 1HB PRO 41 2HB PRO 41 -13.172 -9.829 -5.885
22 2HB PRO 41 1HB PRO 41 -12.902 -11.236 -6.921
23 1HG PRO 41 2HG PRO 41 -12.263 -10.949 -4.083
24 2HG PRO 41 1HG PRO 41 -12.061 -12.384 -5.099
25 1HD PRO 41 1HD PRO 41 -9.991 -10.568 -4.137
26 2HD PRO 41 2HD PRO 41 -9.786 -12.038 -5.102
27 H TYR 42 H TYR 42 -10.009 -8.199 -5.426
28 HA TYR 42 HA TYR 42 -11.461 -5.774 -6.451
29 1HB TYR 42 2HB TYR 42 -10.635 -6.515 -3.593
30 2HB TYR 42 1HB TYR 42 -11.170 -4.907 -4.065
31 HD1 TYR 42 HD2 TYR 42 -13.471 -4.651 -5.138
32 HD2 TYR 42 HD1 TYR 42 -12.242 -8.224 -3.189
33 HE1 TYR 42 HE2 TYR 42 -15.810 -5.350 -4.951
34 HE2 TYR 42 HE1 TYR 42 -14.582 -8.926 -3.006
35 HH TYR 42 HH TYR 42 -17.181 -7.098 -4.516
36 H SER 43 H SER 43 -9.627 -5.582 -7.876
37 HA SER 43 HA SER 43 -7.088 -4.685 -6.555
38 1HB SER 43 2HB SER 43 -7.627 -5.034 -9.553
39 2HB SER 43 1HB SER 43 -6.058 -5.045 -8.724
40 HG SER 43 HG SER 43 -8.177 -6.854 -8.180
41 H CYS 44 H CYS 44 -7.883 -2.633 -5.832
42 HA CYS 44 HA CYS 44 -9.209 -0.710 -7.423
43 1HB CYS 44 2HB CYS 44 -9.014 -0.155 -5.145
44 2HB CYS 44 1HB CYS 44 -7.337 -0.612 -5.067
45 H ASP 45 H ASP 45 -8.452 1.106 -8.567
46 HA ASP 45 HA ASP 45 -5.611 0.934 -9.548
47 1HB ASP 45 2HB ASP 45 -6.530 1.547 -11.827
48 2HB ASP 45 1HB ASP 45 -7.120 -0.019 -11.277
49 H HIS 46 H HIS 46 -6.465 2.604 -7.523
50 HA HIS 46 HA HIS 46 -7.292 5.174 -8.436
51 1HB HIS 46 2HB HIS 46 -7.525 4.990 -6.099
52 2HB HIS 46 1HB HIS 46 -6.123 3.948 -5.947
53 HD1 HIS 46 HD1 HIS 46 -7.080 7.168 -5.104
54 HD2 HIS 46 HD2 HIS 46 -3.586 5.584 -6.395
55 HE1 HIS 46 HE1 HIS 46 -5.395 8.777 -4.445
56 HA PRO 47 HA PRO 47 -3.802 6.881 -10.476
57 1HB PRO 47 2HB PRO 47 -3.624 9.224 -8.642
58 2HB PRO 47 1HB PRO 47 -4.056 9.191 -10.356
59 1HG PRO 47 2HG PRO 47 -5.860 9.479 -8.104
60 2HG PRO 47 1HG PRO 47 -6.301 9.376 -9.814
61 1HD PRO 47 1HD PRO 47 -6.751 7.369 -7.801
62 2HD PRO 47 2HD PRO 47 -7.042 7.207 -9.539
63 H GLY 48 H GLY 48 -2.266 5.369 -9.884
64 1HA GLY 48 2HA GLY 48 -0.086 4.919 -9.040
65 2HA GLY 48 1HA GLY 48 -0.242 6.304 -7.964
66 H CYS 49 H CYS 49 -1.534 3.014 -8.466
67 HA CYS 49 HA CYS 49 -1.500 2.649 -5.476
68 1HB CYS 49 2HB CYS 49 -3.819 2.993 -6.262
69 2HB CYS 49 1HB CYS 49 -3.621 1.754 -7.473
70 H ASP 50 H ASP 50 -1.523 0.396 -4.836
71 HA ASP 50 HA ASP 50 -0.865 -1.686 -6.730
72 1HB ASP 50 2HB ASP 50 1.529 -1.969 -5.819
73 2HB ASP 50 1HB ASP 50 1.300 -0.549 -6.837
74 H LYS 51 H LYS 51 -2.566 -1.138 -4.392
75 HA LYS 51 HA LYS 51 -1.570 -3.236 -2.491
76 1HB LYS 51 2HB LYS 51 -3.719 -1.131 -2.107
77 2HB LYS 51 1HB LYS 51 -3.139 -2.232 -0.873
78 1HG LYS 51 2HG LYS 51 -0.761 -1.184 -1.516
79 2HG LYS 51 1HG LYS 51 -1.747 0.147 -2.114
80 1HD LYS 51 2HD LYS 51 -2.767 0.446 0.084
81 2HD LYS 51 1HD LYS 51 -1.959 -0.991 0.698
82 1HE LYS 51 2HE LYS 51 -0.748 1.046 1.387
83 2HE LYS 51 1HE LYS 51 0.237 0.074 0.302
84 1HZ LYS 51 3HZ LYS 51 -0.691 1.526 -1.528
85 2HZ LYS 51 2HZ LYS 51 -1.224 2.568 -0.297
86 3HZ LYS 51 1HZ LYS 51 0.433 2.243 -0.475
87 H ALA 52 H ALA 52 -2.303 -4.974 -3.817
88 HA ALA 52 HA ALA 52 -4.971 -5.241 -4.779
89 1HB ALA 52 1HB ALA 52 -2.903 -6.740 -5.259
90 2HB ALA 52 3HB ALA 52 -3.255 -7.538 -3.729
91 3HB ALA 52 2HB ALA 52 -4.430 -7.584 -5.039
92 H PHE 53 H PHE 53 -6.634 -6.702 -3.931
93 HA PHE 53 HA PHE 53 -6.608 -6.979 -0.945
94 1HB PHE 53 2HB PHE 53 -8.623 -5.469 -2.657
95 2HB PHE 53 1HB PHE 53 -9.086 -6.108 -1.087
96 HD1 PHE 53 HD1 PHE 53 -7.800 -5.351 0.959
97 HD2 PHE 53 HD2 PHE 53 -7.254 -3.524 -2.848
98 HE1 PHE 53 HE1 PHE 53 -6.736 -3.414 2.036
99 HE2 PHE 53 HE2 PHE 53 -6.189 -1.603 -1.769
100 HZ PHE 53 HZ PHE 53 -5.930 -1.539 0.672
101 H VAL 54 H VAL 54 -7.870 -8.580 -0.128
102 HA VAL 54 HA VAL 54 -8.816 -10.596 -2.122
103 HB VAL 54 HB VAL 54 -8.475 -10.888 0.908
104 1HG1 VAL 54 3HG1 VAL 54 -8.641 -12.856 -1.400
105 2HG1 VAL 54 2HG1 VAL 54 -8.248 -13.310 0.256
106 3HG1 VAL 54 1HG1 VAL 54 -9.830 -12.634 -0.120
107 1HG2 VAL 54 3HG2 VAL 54 -6.488 -11.378 -1.337
108 2HG2 VAL 54 2HG2 VAL 54 -6.317 -10.230 -0.013
109 3HG2 VAL 54 1HG2 VAL 54 -6.274 -11.960 0.310
110 H ARG 55 H ARG 55 -9.873 -8.461 0.421
111 HA ARG 55 HA ARG 55 -12.633 -9.627 0.358
112 1HB ARG 55 2HB ARG 55 -11.282 -9.046 2.553
113 2HB ARG 55 1HB ARG 55 -11.652 -7.369 2.174
114 1HG ARG 55 2HG ARG 55 -14.029 -7.789 2.292
115 2HG ARG 55 1HG ARG 55 -13.779 -9.528 2.378
116 1HD ARG 55 2HD ARG 55 -14.235 -8.666 4.626
117 2HD ARG 55 1HD ARG 55 -12.556 -9.197 4.543
118 HE ARG 55 HE ARG 55 -12.574 -6.457 3.855
119 1HH1 ARG 55 HH2 ARG 55 -11.017 -7.733 6.091
120 2HH1 ARG 55 HH2 ARG 55 -11.660 -6.927 7.483
121 1HH2 ARG 55 HH1 ARG 55 -14.470 -5.745 5.751
122 2HH2 ARG 55 HH1 ARG 55 -13.667 -5.773 7.286
123 H ASN 56 H ASN 56 -14.394 -7.874 0.542
124 HA ASN 56 HA ASN 56 -14.008 -6.017 -1.738
125 1HB ASN 56 2HB ASN 56 -16.070 -7.490 -1.472
126 2HB ASN 56 1HB ASN 56 -16.501 -6.551 -0.045
127 1HD2 ASN 56 HD2 ASN 56 -18.127 -5.118 -3.158
128 2HD2 ASN 56 HD2 ASN 56 -18.065 -6.691 -2.523
129 H HIS 57 H HIS 57 -15.592 -5.652 1.451
130 HA HIS 57 HA HIS 57 -15.777 -2.903 1.606
131 1HB HIS 57 2HB HIS 57 -14.614 -4.375 4.011
132 2HB HIS 57 1HB HIS 57 -15.909 -3.179 3.966
133 HD1 HIS 57 HD1 HIS 57 -15.402 -6.694 3.948
134 HD2 HIS 57 HD2 HIS 57 -18.390 -4.220 2.769
135 HE1 HIS 57 HE1 HIS 57 -17.331 -8.134 3.719
136 H ASP 58 H ASP 58 -12.813 -4.770 2.286
137 HA ASP 58 HA ASP 58 -11.178 -2.685 3.172
138 1HB ASP 58 2HB ASP 58 -10.447 -4.903 1.185
139 2HB ASP 58 1HB ASP 58 -9.289 -3.962 2.122
140 H LEU 59 H LEU 59 -12.031 -3.556 -0.151
141 HA LEU 59 HA LEU 59 -10.428 -1.599 -1.459
142 1HB LEU 59 2HB LEU 59 -12.032 -3.635 -2.300
143 2HB LEU 59 1HB LEU 59 -13.165 -2.322 -2.555
144 HG LEU 59 HG LEU 59 -11.884 -2.754 -4.610
145 1HD1 LEU 59 HD1 LEU 59 -12.530 -0.376 -3.831
146 2HD1 LEU 59 HD1 LEU 59 -10.827 -0.154 -3.459
147 3HD1 LEU 59 HD1 LEU 59 -11.327 -0.499 -5.108
148 1HD2 LEU 59 HD2 LEU 59 -9.751 -3.416 -2.995
149 2HD2 LEU 59 HD2 LEU 59 -9.579 -3.023 -4.702
150 3HD2 LEU 59 HD2 LEU 59 -9.269 -1.798 -3.481
151 H ILE 60 H ILE 60 -13.653 -1.431 -0.022
152 HA ILE 60 HA ILE 60 -14.213 1.213 -1.011
153 HB ILE 60 HB ILE 60 -15.382 -0.517 1.221
154 1HG1 ILE 60 2HG1 ILE 60 -17.330 -0.593 -0.233
155 2HG1 ILE 60 1HG1 ILE 60 -16.626 0.596 -1.321
156 1HG2 ILE 60 3HG2 ILE 60 -16.058 2.371 0.449
157 2HG2 ILE 60 2HG2 ILE 60 -17.226 1.336 1.266
158 3HG2 ILE 60 1HG2 ILE 60 -15.709 1.749 2.058
159 1HD1 ILE 60 HD1 ILE 60 -15.216 -2.013 -0.725
160 2HD1 ILE 60 HD1 ILE 60 -16.429 -1.896 -1.995
161 3HD1 ILE 60 HD1 ILE 60 -14.968 -0.919 -2.084
162 H ARG 61 H ARG 61 -13.184 0.022 2.166
163 HA ARG 61 HA ARG 61 -12.792 2.699 3.207
164 1HB ARG 61 2HB ARG 61 -13.166 0.448 4.500
165 2HB ARG 61 1HB ARG 61 -11.445 0.170 4.257
166 1HG ARG 61 2HG ARG 61 -11.008 2.422 5.309
167 2HG ARG 61 1HG ARG 61 -12.724 2.529 5.677
168 1HD ARG 61 2HD ARG 61 -12.433 0.234 6.840
169 2HD ARG 61 1HD ARG 61 -10.701 0.551 6.751
170 HE ARG 61 HE ARG 61 -10.982 2.109 8.493
171 1HH1 ARG 61 HH1 ARG 61 -12.454 4.238 7.811
172 2HH1 ARG 61 HH1 ARG 61 -14.056 4.026 8.434
173 1HH2 ARG 61 HH2 ARG 61 -13.641 0.572 8.870
174 2HH2 ARG 61 HH2 ARG 61 -14.746 1.895 9.049
175 H HIS 62 H HIS 62 -11.052 0.780 1.067
176 HA HIS 62 HA HIS 62 -8.393 1.787 1.799
177 1HB HIS 62 2HB HIS 62 -8.402 -0.427 0.881
178 2HB HIS 62 1HB HIS 62 -9.515 0.046 -0.376
179 HD1 HIS 62 HD1 HIS 62 -5.970 0.276 0.410
180 HD2 HIS 62 HD2 HIS 62 -8.478 1.215 -2.642
181 HE1 HIS 62 HE1 HIS 62 -4.493 0.890 -1.416
182 H LYS 63 H LYS 63 -10.831 2.370 -0.698
183 HA LYS 63 HA LYS 63 -9.227 4.080 -2.331
184 1HB LYS 63 2HB LYS 63 -11.313 3.153 -3.164
185 2HB LYS 63 1HB LYS 63 -12.228 3.904 -1.863
186 1HG LYS 63 2HG LYS 63 -11.885 6.103 -2.753
187 2HG LYS 63 1HG LYS 63 -10.636 5.535 -3.856
188 1HD LYS 63 2HD LYS 63 -12.270 4.265 -5.139
189 2HD LYS 63 1HD LYS 63 -13.532 4.632 -3.969
190 1HE LYS 63 2HE LYS 63 -13.805 6.154 -5.832
191 2HE LYS 63 1HE LYS 63 -13.177 7.083 -4.477
192 1HZ LYS 63 1HZ LYS 63 -11.286 5.885 -6.366
193 2HZ LYS 63 3HZ LYS 63 -12.123 7.291 -6.824
194 3HZ LYS 63 2HZ LYS 63 -11.140 7.300 -5.439
195 H LYS 64 H LYS 64 -11.700 5.035 0.070
196 HA LYS 64 HA LYS 64 -10.930 7.818 -0.078
197 1HB LYS 64 2HB LYS 64 -12.555 6.148 1.885
198 2HB LYS 64 1HB LYS 64 -12.238 7.850 2.206
199 1HG LYS 64 2HG LYS 64 -13.197 8.410 -0.043
200 2HG LYS 64 1HG LYS 64 -13.607 6.713 -0.264
201 1HD LYS 64 2HD LYS 64 -14.556 8.143 2.231
202 2HD LYS 64 1HD LYS 64 -15.411 8.406 0.718
203 1HE LYS 64 2HE LYS 64 -14.806 5.610 1.693
204 2HE LYS 64 1HE LYS 64 -16.236 6.473 2.238
205 1HZ LYS 64 3HZ LYS 64 -15.960 6.670 -0.573
206 2HZ LYS 64 2HZ LYS 64 -15.944 5.041 -0.091
207 3HZ LYS 64 1HZ LYS 64 -17.247 6.042 0.340
208 H SER 65 H SER 65 -9.100 5.371 0.892
209 HA SER 65 HA SER 65 -7.913 6.835 3.236
210 1HB SER 65 2HB SER 65 -7.728 3.933 2.304
211 2HB SER 65 1HB SER 65 -6.715 4.589 3.596
212 HG SER 65 HG SER 65 -9.302 5.363 3.832
213 H HIS 66 H HIS 66 -7.447 6.170 -0.082
214 HA HIS 66 HA HIS 66 -4.676 5.862 -0.340
215 1HB HIS 66 2HB HIS 66 -6.872 6.973 -2.011
216 2HB HIS 66 1HB HIS 66 -5.350 7.795 -2.342
217 HD1 HIS 66 HD1 HIS 66 -3.467 6.218 -3.190
218 HD2 HIS 66 HD2 HIS 66 -7.012 4.327 -2.858
219 HE1 HIS 66 HE1 HIS 66 -3.138 4.079 -4.288
220 H GLN 67 H GLN 67 -6.353 8.420 1.104
221 HA GLN 67 HA GLN 67 -4.227 10.419 0.746
222 1HB GLN 67 2HB GLN 67 -6.894 10.241 2.212
223 2HB GLN 67 1HB GLN 67 -5.773 11.526 2.651
224 1HG GLN 67 2HG GLN 67 -5.671 12.204 0.239
225 2HG GLN 67 1HG GLN 67 -6.892 10.987 -0.121
226 1HE2 GLN 67 2HE2 GLN 67 -8.001 14.272 2.103
227 2HE2 GLN 67 1HE2 GLN 67 -6.388 13.743 2.151
228 H GLU 68 H GLU 68 -3.998 7.687 2.149
229 HA GLU 68 HA GLU 68 -3.208 6.793 4.209
230 1HB GLU 68 2HB GLU 68 -0.846 7.689 4.552
231 2HB GLU 68 1HB GLU 68 -1.195 7.214 2.895
232 1HG GLU 68 2HG GLU 68 -1.513 9.505 2.219
233 2HG GLU 68 1HG GLU 68 -1.495 10.063 3.888
234 H LYS 69 H LYS 69 -5.157 8.297 5.134
235 HA LYS 69 HA LYS 69 -4.182 9.133 7.709
236 1HB LYS 69 2HB LYS 69 -3.580 11.098 6.091
237 2HB LYS 69 1HB LYS 69 -5.309 11.408 6.012
238 1HG LYS 69 2HG LYS 69 -5.421 11.758 8.413
239 2HG LYS 69 1HG LYS 69 -3.753 11.236 8.615
240 1HD LYS 69 2HD LYS 69 -3.087 13.160 7.078
241 2HD LYS 69 1HD LYS 69 -4.744 13.736 7.219
242 1HE LYS 69 2HE LYS 69 -4.521 13.948 9.633
243 2HE LYS 69 1HE LYS 69 -2.932 13.194 9.594
244 1HZ LYS 69 3HZ LYS 69 -3.290 15.535 7.913
245 2HZ LYS 69 2HZ LYS 69 -3.292 15.806 9.591
246 3HZ LYS 69 1HZ LYS 69 -1.958 15.059 8.853
247 H ALA 70 H ALA 70 -5.864 9.662 9.165
248 HA ALA 70 HA ALA 70 -8.343 8.333 8.620
249 1HB ALA 70 3HB ALA 70 -7.561 10.345 10.792
250 2HB ALA 70 2HB ALA 70 -9.050 9.406 10.815
251 3HB ALA 70 1HB ALA 70 -7.493 8.591 10.925
No H/Q in entry = 251
Start of MODEL 22
1 1H ASP 39 3H ASP 39 -11.226 -11.845 -10.780
2 2H ASP 39 2H ASP 39 -10.389 -12.483 -12.112
3 3H ASP 39 1H ASP 39 -11.179 -13.524 -11.028
4 HA ASP 39 HA ASP 39 -9.521 -13.532 -9.577
5 1HB ASP 39 2HB ASP 39 -8.120 -12.171 -11.939
6 2HB ASP 39 1HB ASP 39 -7.292 -12.989 -10.617
7 H ARG 40 H ARG 40 -9.507 -12.337 -7.805
8 HA ARG 40 HA ARG 40 -9.436 -10.440 -6.417
9 1HB ARG 40 2HB ARG 40 -7.263 -9.855 -8.495
10 2HB ARG 40 1HB ARG 40 -7.473 -8.900 -7.034
11 1HG ARG 40 2HG ARG 40 -5.916 -10.433 -6.221
12 2HG ARG 40 1HG ARG 40 -7.375 -11.343 -5.866
13 1HD ARG 40 2HD ARG 40 -7.037 -12.264 -8.337
14 2HD ARG 40 1HD ARG 40 -5.369 -11.758 -8.075
15 HE ARG 40 HE ARG 40 -6.643 -13.486 -6.004
16 1HH1 ARG 40 HH1 ARG 40 -4.195 -13.866 -5.273
17 2HH1 ARG 40 HH1 ARG 40 -3.380 -14.924 -6.376
18 1HH2 ARG 40 HH2 ARG 40 -5.766 -14.459 -8.901
19 2HH2 ARG 40 HH2 ARG 40 -4.293 -15.269 -8.483
20 HA PRO 41 HA PRO 41 -11.917 -8.000 -9.526
21 1HB PRO 41 2HB PRO 41 -14.095 -7.953 -7.541
22 2HB PRO 41 1HB PRO 41 -14.099 -8.701 -9.143
23 1HG PRO 41 2HG PRO 41 -13.976 -10.062 -6.596
24 2HG PRO 41 1HG PRO 41 -13.869 -10.800 -8.200
25 1HD PRO 41 1HD PRO 41 -11.717 -10.367 -6.259
26 2HD PRO 41 2HD PRO 41 -11.639 -11.243 -7.799
27 H TYR 42 H TYR 42 -11.093 -7.717 -6.166
28 HA TYR 42 HA TYR 42 -11.715 -4.805 -6.152
29 1HB TYR 42 2HB TYR 42 -10.674 -6.677 -3.943
30 2HB TYR 42 1HB TYR 42 -11.077 -4.978 -3.723
31 HD1 TYR 42 HD1 TYR 42 -13.433 -4.203 -4.068
32 HD2 TYR 42 HD2 TYR 42 -12.419 -8.328 -4.045
33 HE1 TYR 42 HE1 TYR 42 -15.789 -4.772 -3.747
34 HE2 TYR 42 HE2 TYR 42 -14.777 -8.901 -3.726
35 HH TYR 42 HH TYR 42 -16.836 -8.154 -3.437
36 H SER 43 H SER 43 -10.027 -4.769 -7.875
37 HA SER 43 HA SER 43 -7.262 -4.562 -6.697
38 1HB SER 43 2HB SER 43 -8.195 -4.705 -9.619
39 2HB SER 43 1HB SER 43 -6.506 -4.682 -9.076
40 HG SER 43 HG SER 43 -7.078 -6.815 -9.213
41 H CYS 44 H CYS 44 -8.050 -2.494 -5.736
42 HA CYS 44 HA CYS 44 -8.872 -0.264 -7.240
43 1HB CYS 44 2HB CYS 44 -8.789 -0.244 -4.793
44 2HB CYS 44 1HB CYS 44 -7.060 -0.462 -4.808
45 H ASP 45 H ASP 45 -7.857 0.072 -9.166
46 HA ASP 45 HA ASP 45 -4.876 0.325 -9.181
47 1HB ASP 45 2HB ASP 45 -6.218 -1.036 -10.943
48 2HB ASP 45 1HB ASP 45 -6.784 0.513 -11.562
49 H HIS 46 H HIS 46 -5.845 2.359 -7.773
50 HA HIS 46 HA HIS 46 -6.565 4.619 -9.458
51 1HB HIS 46 2HB HIS 46 -7.432 4.745 -7.225
52 2HB HIS 46 1HB HIS 46 -5.933 4.167 -6.512
53 HD1 HIS 46 HD1 HIS 46 -7.549 7.229 -7.555
54 HD2 HIS 46 HD2 HIS 46 -3.874 6.131 -6.250
55 HE1 HIS 46 HE1 HIS 46 -6.449 9.312 -6.996
56 HA PRO 47 HA PRO 47 -2.512 5.816 -10.766
57 1HB PRO 47 2HB PRO 47 -2.926 8.663 -10.020
58 2HB PRO 47 1HB PRO 47 -2.789 7.956 -11.635
59 1HG PRO 47 2HG PRO 47 -5.212 8.854 -10.312
60 2HG PRO 47 1HG PRO 47 -5.081 8.105 -11.910
61 1HD PRO 47 1HD PRO 47 -6.179 6.912 -9.526
62 2HD PRO 47 2HD PRO 47 -5.931 6.123 -11.091
63 H GLY 48 H GLY 48 -0.941 5.151 -9.450
64 1HA GLY 48 2HA GLY 48 0.773 5.530 -7.820
65 2HA GLY 48 1HA GLY 48 -0.196 6.825 -7.123
66 H CYS 49 H CYS 49 -0.926 3.398 -7.795
67 HA CYS 49 HA CYS 49 -1.268 2.940 -4.851
68 1HB CYS 49 2HB CYS 49 -3.489 3.471 -5.804
69 2HB CYS 49 1HB CYS 49 -3.264 2.288 -7.063
70 H ASP 50 H ASP 50 -1.294 0.704 -4.265
71 HA ASP 50 HA ASP 50 -0.603 -1.320 -6.266
72 1HB ASP 50 2HB ASP 50 1.441 -0.241 -4.264
73 2HB ASP 50 1HB ASP 50 1.624 -1.807 -5.048
74 H LYS 51 H LYS 51 -2.606 -0.900 -4.206
75 HA LYS 51 HA LYS 51 -1.965 -3.137 -2.306
76 1HB LYS 51 2HB LYS 51 -3.837 -0.754 -2.178
77 2HB LYS 51 1HB LYS 51 -4.028 -2.105 -1.072
78 1HG LYS 51 2HG LYS 51 -1.285 -0.855 -1.379
79 2HG LYS 51 1HG LYS 51 -2.487 -0.017 -0.410
80 1HD LYS 51 2HD LYS 51 -2.717 -1.858 1.097
81 2HD LYS 51 1HD LYS 51 -1.852 -2.944 0.020
82 1HE LYS 51 2HE LYS 51 0.235 -1.879 0.439
83 2HE LYS 51 1HE LYS 51 -0.536 -0.465 1.149
84 1HZ LYS 51 1HZ LYS 51 -1.426 -2.478 2.708
85 2HZ LYS 51 3HZ LYS 51 0.159 -2.975 2.356
86 3HZ LYS 51 2HZ LYS 51 -0.115 -1.460 3.073
87 H ALA 52 H ALA 52 -2.595 -4.897 -3.524
88 HA ALA 52 HA ALA 52 -5.179 -4.912 -4.912
89 1HB ALA 52 2HB ALA 52 -3.175 -7.139 -4.277
90 2HB ALA 52 1HB ALA 52 -4.571 -7.326 -5.333
91 3HB ALA 52 3HB ALA 52 -3.265 -6.234 -5.785
92 H PHE 53 H PHE 53 -6.899 -6.385 -4.410
93 HA PHE 53 HA PHE 53 -6.948 -7.447 -1.617
94 1HB PHE 53 2HB PHE 53 -8.984 -5.512 -2.820
95 2HB PHE 53 1HB PHE 53 -9.239 -6.377 -1.323
96 HD1 PHE 53 HD2 PHE 53 -7.678 -5.929 0.622
97 HD2 PHE 53 HD1 PHE 53 -7.560 -3.584 -2.934
98 HE1 PHE 53 HE2 PHE 53 -6.432 -4.177 1.811
99 HE2 PHE 53 HE1 PHE 53 -6.316 -1.839 -1.739
100 HZ PHE 53 HZ PHE 53 -5.751 -2.133 0.629
101 H VAL 54 H VAL 54 -8.959 -8.723 -1.231
102 HA VAL 54 HA VAL 54 -10.086 -9.933 -3.729
103 HB VAL 54 HB VAL 54 -9.190 -11.670 -1.384
104 1HG1 VAL 54 1HG1 VAL 54 -10.676 -12.538 -3.253
105 2HG1 VAL 54 3HG1 VAL 54 -9.348 -12.234 -4.365
106 3HG1 VAL 54 2HG1 VAL 54 -9.160 -13.413 -3.071
107 1HG2 VAL 54 2HG2 VAL 54 -7.500 -10.583 -3.649
108 2HG2 VAL 54 1HG2 VAL 54 -7.155 -10.538 -1.924
109 3HG2 VAL 54 3HG2 VAL 54 -7.080 -12.065 -2.797
110 H ARG 55 H ARG 55 -10.662 -8.494 -0.855
111 HA ARG 55 HA ARG 55 -13.350 -9.817 -0.580
112 1HB ARG 55 2HB ARG 55 -11.415 -8.891 1.603
113 2HB ARG 55 1HB ARG 55 -13.095 -9.316 1.919
114 1HG ARG 55 2HG ARG 55 -12.589 -11.565 0.790
115 2HG ARG 55 1HG ARG 55 -10.889 -11.119 0.881
116 1HD ARG 55 2HD ARG 55 -11.070 -10.867 3.328
117 2HD ARG 55 1HD ARG 55 -12.785 -11.267 3.253
118 HE ARG 55 HE ARG 55 -11.238 -13.362 2.030
119 1HH1 ARG 55 HH1 ARG 55 -11.561 -11.800 5.044
120 2HH1 ARG 55 HH1 ARG 55 -11.589 -13.257 5.979
121 1HH2 ARG 55 HH2 ARG 55 -11.490 -15.315 3.143
122 2HH2 ARG 55 HH2 ARG 55 -11.548 -15.300 4.874
123 H ASN 56 H ASN 56 -15.022 -8.436 -0.477
124 HA ASN 56 HA ASN 56 -14.678 -5.701 -1.127
125 1HB ASN 56 2HB ASN 56 -16.849 -7.200 -1.187
126 2HB ASN 56 1HB ASN 56 -17.053 -6.739 0.500
127 1HD2 ASN 56 HD2 ASN 56 -18.921 -4.124 -1.179
128 2HD2 ASN 56 HD2 ASN 56 -19.095 -5.720 -0.630
129 H HIS 57 H HIS 57 -15.728 -3.987 0.449
130 HA HIS 57 HA HIS 57 -15.563 -2.799 2.442
131 1HB HIS 57 2HB HIS 57 -15.827 -4.054 4.396
132 2HB HIS 57 1HB HIS 57 -15.937 -5.433 3.317
133 HD1 HIS 57 HD1 HIS 57 -14.314 -7.153 3.938
134 HD2 HIS 57 HD2 HIS 57 -12.916 -3.534 5.113
135 HE1 HIS 57 HE1 HIS 57 -12.238 -7.641 5.088
136 H ASP 58 H ASP 58 -12.810 -5.132 2.220
137 HA ASP 58 HA ASP 58 -10.889 -3.397 3.360
138 1HB ASP 58 2HB ASP 58 -10.633 -5.483 1.133
139 2HB ASP 58 1HB ASP 58 -9.244 -4.713 1.890
140 H LEU 59 H LEU 59 -12.266 -3.513 0.163
141 HA LEU 59 HA LEU 59 -10.402 -1.601 -1.016
142 1HB LEU 59 2HB LEU 59 -12.214 -3.448 -2.016
143 2HB LEU 59 1HB LEU 59 -13.189 -1.996 -2.161
144 HG LEU 59 HG LEU 59 -11.929 -2.428 -4.237
145 1HD1 LEU 59 HD1 LEU 59 -12.398 -0.076 -3.358
146 2HD1 LEU 59 HD1 LEU 59 -10.719 -0.020 -2.839
147 3HD1 LEU 59 HD1 LEU 59 -11.106 -0.196 -4.546
148 1HD2 LEU 59 HD2 LEU 59 -9.868 -3.347 -2.618
149 2HD2 LEU 59 HD2 LEU 59 -9.671 -2.939 -4.319
150 3HD2 LEU 59 HD2 LEU 59 -9.249 -1.768 -3.075
151 H ILE 60 H ILE 60 -13.465 -1.475 0.676
152 HA ILE 60 HA ILE 60 -13.990 1.300 -0.010
153 HB ILE 60 HB ILE 60 -15.024 -0.291 2.391
154 1HG1 ILE 60 2HG1 ILE 60 -16.107 -0.188 -0.451
155 2HG1 ILE 60 1HG1 ILE 60 -15.356 -1.584 0.312
156 1HG2 ILE 60 2HG2 ILE 60 -15.456 2.237 2.201
157 2HG2 ILE 60 1HG2 ILE 60 -16.336 1.910 0.711
158 3HG2 ILE 60 3HG2 ILE 60 -16.921 1.262 2.240
159 1HD1 ILE 60 HD1 ILE 60 -17.215 -1.185 2.175
160 2HD1 ILE 60 HD1 ILE 60 -18.038 -0.337 0.870
161 3HD1 ILE 60 HD1 ILE 60 -17.624 -2.038 0.688
162 H ARG 61 H ARG 61 -12.583 -0.415 2.713
163 HA ARG 61 HA ARG 61 -12.142 1.993 4.265
164 1HB ARG 61 2HB ARG 61 -12.268 -0.638 4.924
165 2HB ARG 61 1HB ARG 61 -10.531 -0.562 4.677
166 1HG ARG 61 2HG ARG 61 -12.047 1.364 6.491
167 2HG ARG 61 1HG ARG 61 -11.321 -0.126 7.071
168 1HD ARG 61 2HD ARG 61 -9.496 1.247 7.451
169 2HD ARG 61 1HD ARG 61 -9.174 0.968 5.740
170 HE ARG 61 HE ARG 61 -10.866 3.133 5.677
171 1HH1 ARG 61 HH2 ARG 61 -10.158 3.967 8.341
172 2HH1 ARG 61 HH2 ARG 61 -8.698 4.876 8.134
173 1HH2 ARG 61 HH1 ARG 61 -8.090 3.549 4.947
174 2HH2 ARG 61 HH1 ARG 61 -7.495 4.633 6.160
175 H HIS 62 H HIS 62 -10.606 0.449 1.647
176 HA HIS 62 HA HIS 62 -7.974 1.685 2.187
177 1HB HIS 62 2HB HIS 62 -7.781 -0.536 1.296
178 2HB HIS 62 1HB HIS 62 -9.033 -0.240 0.113
179 HD1 HIS 62 HD1 HIS 62 -5.510 0.430 0.673
180 HD2 HIS 62 HD2 HIS 62 -8.276 1.121 -2.228
181 HE1 HIS 62 HE1 HIS 62 -4.230 1.291 -1.191
182 H LYS 63 H LYS 63 -10.516 1.807 -0.301
183 HA LYS 63 HA LYS 63 -9.352 3.659 -2.037
184 1HB LYS 63 2HB LYS 63 -11.579 4.082 -2.839
185 2HB LYS 63 1HB LYS 63 -11.664 2.458 -2.185
186 1HG LYS 63 2HG LYS 63 -13.524 3.298 -1.083
187 2HG LYS 63 1HG LYS 63 -12.325 3.864 0.065
188 1HD LYS 63 2HD LYS 63 -13.444 5.875 -0.334
189 2HD LYS 63 1HD LYS 63 -12.234 5.976 -1.605
190 1HE LYS 63 2HE LYS 63 -14.377 6.462 -2.610
191 2HE LYS 63 1HE LYS 63 -13.891 4.865 -3.161
192 1HZ LYS 63 2HZ LYS 63 -15.750 5.421 -0.917
193 2HZ LYS 63 1HZ LYS 63 -16.200 4.913 -2.475
194 3HZ LYS 63 3HZ LYS 63 -15.295 3.882 -1.475
195 H LYS 64 H LYS 64 -10.584 4.205 1.162
196 HA LYS 64 HA LYS 64 -11.032 7.003 1.022
197 1HB LYS 64 2HB LYS 64 -11.480 5.406 3.002
198 2HB LYS 64 1HB LYS 64 -9.763 5.499 3.373
199 1HG LYS 64 2HG LYS 64 -9.876 7.786 3.958
200 2HG LYS 64 1HG LYS 64 -11.368 8.046 3.064
201 1HD LYS 64 2HD LYS 64 -11.698 7.977 5.562
202 2HD LYS 64 1HD LYS 64 -12.642 6.769 4.699
203 1HE LYS 64 2HE LYS 64 -11.390 5.930 6.764
204 2HE LYS 64 1HE LYS 64 -11.118 5.018 5.284
205 1HZ LYS 64 3HZ LYS 64 -9.331 7.255 5.931
206 2HZ LYS 64 2HZ LYS 64 -9.131 5.778 6.745
207 3HZ LYS 64 1HZ LYS 64 -9.013 5.837 5.052
208 H SER 65 H SER 65 -8.063 5.142 1.281
209 HA SER 65 HA SER 65 -6.249 7.135 2.046
210 1HB SER 65 2HB SER 65 -4.563 5.834 0.707
211 2HB SER 65 1HB SER 65 -5.662 4.699 1.517
212 HG SER 65 HG SER 65 -5.704 5.618 -1.157
213 H HIS 66 H HIS 66 -7.614 6.434 -1.136
214 HA HIS 66 HA HIS 66 -6.243 8.727 -2.356
215 1HB HIS 66 2HB HIS 66 -8.522 7.009 -3.479
216 2HB HIS 66 1HB HIS 66 -7.420 8.015 -4.403
217 HD1 HIS 66 HD1 HIS 66 -4.819 7.148 -3.784
218 HD2 HIS 66 HD2 HIS 66 -7.798 4.399 -3.614
219 HE1 HIS 66 HE1 HIS 66 -3.710 5.010 -4.052
220 H GLN 67 H GLN 67 -9.670 7.835 -2.429
221 HA GLN 67 HA GLN 67 -10.914 9.793 -0.965
222 1HB GLN 67 2HB GLN 67 -9.612 10.981 -3.394
223 2HB GLN 67 1HB GLN 67 -11.322 11.352 -3.325
224 1HG GLN 67 2HG GLN 67 -9.679 11.726 -0.812
225 2HG GLN 67 1HG GLN 67 -9.564 12.928 -2.088
226 1HE2 GLN 67 2HE2 GLN 67 -12.687 13.087 0.368
227 2HE2 GLN 67 1HE2 GLN 67 -11.247 12.251 0.695
228 H GLU 68 H GLU 68 -11.503 9.753 -4.450
229 HA GLU 68 HA GLU 68 -13.329 7.531 -4.408
230 1HB GLU 68 2HB GLU 68 -14.563 9.330 -3.027
231 2HB GLU 68 1HB GLU 68 -14.639 10.291 -4.498
232 1HG GLU 68 2HG GLU 68 -15.980 8.645 -5.616
233 2HG GLU 68 1HG GLU 68 -15.660 7.438 -4.373
234 H LYS 69 H LYS 69 -14.467 7.269 -6.430
235 HA LYS 69 HA LYS 69 -14.042 9.140 -8.605
236 1HB LYS 69 2HB LYS 69 -12.494 7.702 -9.916
237 2HB LYS 69 1HB LYS 69 -11.752 8.119 -8.377
238 1HG LYS 69 2HG LYS 69 -12.687 5.925 -7.469
239 2HG LYS 69 1HG LYS 69 -13.096 5.510 -9.130
240 1HD LYS 69 2HD LYS 69 -10.653 5.986 -9.715
241 2HD LYS 69 1HD LYS 69 -10.343 6.045 -7.983
242 1HE LYS 69 2HE LYS 69 -11.296 3.755 -7.759
243 2HE LYS 69 1HE LYS 69 -11.530 3.698 -9.501
244 1HZ LYS 69 2HZ LYS 69 -8.870 4.446 -8.788
245 2HZ LYS 69 1HZ LYS 69 -9.297 2.929 -8.155
246 3HZ LYS 69 3HZ LYS 69 -9.409 3.214 -9.825
247 H ALA 70 H ALA 70 -14.849 8.289 -10.669
248 HA ALA 70 HA ALA 70 -16.264 5.751 -10.705
249 1HB ALA 70 3HB ALA 70 -17.808 8.372 -10.397
250 2HB ALA 70 2HB ALA 70 -18.555 6.870 -10.931
251 3HB ALA 70 1HB ALA 70 -17.863 6.984 -9.316
No H/Q in entry = 251
Start of MODEL 23
1 1H ASP 39 1H ASP 39 -8.427 -13.987 -9.330
2 2H ASP 39 3H ASP 39 -8.604 -15.676 -9.264
3 3H ASP 39 2H ASP 39 -9.684 -14.676 -8.418
4 HA ASP 39 HA ASP 39 -8.337 -15.345 -6.731
5 1HB ASP 39 2HB ASP 39 -6.728 -16.457 -8.471
6 2HB ASP 39 1HB ASP 39 -5.860 -14.925 -8.470
7 H ARG 40 H ARG 40 -8.371 -13.718 -5.340
8 HA ARG 40 HA ARG 40 -8.092 -11.559 -4.456
9 1HB ARG 40 2HB ARG 40 -5.691 -12.536 -4.746
10 2HB ARG 40 1HB ARG 40 -5.573 -11.516 -6.173
11 1HG ARG 40 2HG ARG 40 -6.179 -9.547 -4.719
12 2HG ARG 40 1HG ARG 40 -6.066 -10.614 -3.323
13 1HD ARG 40 2HD ARG 40 -3.926 -9.433 -3.676
14 2HD ARG 40 1HD ARG 40 -3.722 -11.159 -3.950
15 HE ARG 40 HE ARG 40 -4.349 -10.110 -6.459
16 1HH1 ARG 40 HH2 ARG 40 -1.914 -10.088 -4.064
17 2HH1 ARG 40 HH2 ARG 40 -0.695 -9.408 -5.089
18 1HH2 ARG 40 HH1 ARG 40 -2.898 -9.038 -7.792
19 2HH2 ARG 40 HH1 ARG 40 -1.268 -8.797 -7.258
20 HA PRO 41 HA PRO 41 -9.370 -9.653 -8.489
21 1HB PRO 41 2HB PRO 41 -12.007 -9.010 -7.508
22 2HB PRO 41 1HB PRO 41 -11.595 -10.320 -8.613
23 1HG PRO 41 2HG PRO 41 -12.362 -10.512 -5.777
24 2HG PRO 41 1HG PRO 41 -12.161 -11.822 -6.950
25 1HD PRO 41 1HD PRO 41 -10.336 -11.060 -4.814
26 2HD PRO 41 2HD PRO 41 -10.134 -12.369 -5.991
27 H TYR 42 H TYR 42 -11.394 -8.141 -6.052
28 HA TYR 42 HA TYR 42 -11.326 -5.588 -6.192
29 1HB TYR 42 2HB TYR 42 -10.344 -7.036 -3.684
30 2HB TYR 42 1HB TYR 42 -10.683 -5.309 -3.707
31 HD1 TYR 42 HD2 TYR 42 -12.989 -4.573 -4.663
32 HD2 TYR 42 HD1 TYR 42 -12.149 -8.518 -3.326
33 HE1 TYR 42 HE2 TYR 42 -15.388 -4.995 -4.417
34 HE2 TYR 42 HE1 TYR 42 -14.551 -8.945 -3.075
35 HH TYR 42 HH TYR 42 -16.603 -8.177 -3.433
36 H SER 43 H SER 43 -9.632 -5.381 -7.780
37 HA SER 43 HA SER 43 -6.957 -4.723 -6.621
38 1HB SER 43 2HB SER 43 -7.035 -6.130 -8.696
39 2HB SER 43 1HB SER 43 -7.919 -4.843 -9.535
40 HG SER 43 HG SER 43 -5.421 -4.956 -9.516
41 H CYS 44 H CYS 44 -7.162 -2.735 -5.681
42 HA CYS 44 HA CYS 44 -8.702 -0.553 -6.367
43 1HB CYS 44 2HB CYS 44 -7.355 -0.152 -4.517
44 2HB CYS 44 1HB CYS 44 -5.969 -0.939 -5.228
45 H ASP 45 H ASP 45 -8.069 1.475 -7.474
46 HA ASP 45 HA ASP 45 -6.259 1.061 -9.819
47 1HB ASP 45 2HB ASP 45 -8.629 0.401 -10.456
48 2HB ASP 45 1HB ASP 45 -9.150 2.036 -10.061
49 H HIS 46 H HIS 46 -5.693 2.711 -7.642
50 HA HIS 46 HA HIS 46 -6.276 5.458 -8.676
51 1HB HIS 46 2HB HIS 46 -6.939 5.129 -6.344
52 2HB HIS 46 1HB HIS 46 -5.380 4.408 -5.959
53 HD1 HIS 46 HD1 HIS 46 -6.803 7.680 -6.854
54 HD2 HIS 46 HD2 HIS 46 -3.348 6.176 -5.369
55 HE1 HIS 46 HE1 HIS 46 -5.533 9.628 -6.179
56 HA PRO 47 HA PRO 47 -2.018 5.455 -10.106
57 1HB PRO 47 2HB PRO 47 -1.762 8.376 -9.784
58 2HB PRO 47 1HB PRO 47 -1.907 7.454 -11.285
59 1HG PRO 47 2HG PRO 47 -3.951 9.082 -10.006
60 2HG PRO 47 1HG PRO 47 -4.095 8.161 -11.510
61 1HD PRO 47 1HD PRO 47 -5.291 7.535 -8.941
62 2HD PRO 47 2HD PRO 47 -5.390 6.585 -10.440
63 H GLY 48 H GLY 48 -0.004 5.479 -9.150
64 1HA GLY 48 2HA GLY 48 1.618 5.829 -7.463
65 2HA GLY 48 1HA GLY 48 0.491 6.912 -6.651
66 H CYS 49 H CYS 49 -0.801 3.864 -7.521
67 HA CYS 49 HA CYS 49 -0.007 2.496 -5.054
68 1HB CYS 49 2HB CYS 49 -1.701 4.021 -4.185
69 2HB CYS 49 1HB CYS 49 -2.808 3.598 -5.465
70 H ASP 50 H ASP 50 -1.098 0.433 -4.803
71 HA ASP 50 HA ASP 50 -2.703 -0.696 -6.897
72 1HB ASP 50 2HB ASP 50 -0.448 -0.404 -8.077
73 2HB ASP 50 1HB ASP 50 0.242 -1.521 -6.910
74 H LYS 51 H LYS 51 -2.847 -0.728 -4.148
75 HA LYS 51 HA LYS 51 -1.767 -3.237 -3.122
76 1HB LYS 51 2HB LYS 51 -3.476 -0.992 -2.090
77 2HB LYS 51 1HB LYS 51 -3.583 -2.515 -1.230
78 1HG LYS 51 2HG LYS 51 -1.274 -2.494 -0.663
79 2HG LYS 51 1HG LYS 51 -0.892 -1.282 -1.882
80 1HD LYS 51 2HD LYS 51 -1.732 0.488 -0.591
81 2HD LYS 51 1HD LYS 51 -2.833 -0.546 0.312
82 1HE LYS 51 2HE LYS 51 -1.132 -1.317 1.744
83 2HE LYS 51 1HE LYS 51 0.149 -0.941 0.600
84 1HZ LYS 51 1HZ LYS 51 -1.116 1.450 1.184
85 2HZ LYS 51 3HZ LYS 51 -0.900 0.657 2.670
86 3HZ LYS 51 2HZ LYS 51 0.437 0.953 1.662
87 H ALA 52 H ALA 52 -2.585 -4.978 -4.198
88 HA ALA 52 HA ALA 52 -5.297 -5.241 -5.070
89 1HB ALA 52 1HB ALA 52 -3.187 -7.334 -4.347
90 2HB ALA 52 3HB ALA 52 -4.704 -7.718 -5.154
91 3HB ALA 52 2HB ALA 52 -3.513 -6.698 -5.956
92 H PHE 53 H PHE 53 -6.883 -6.790 -4.200
93 HA PHE 53 HA PHE 53 -6.630 -7.313 -1.270
94 1HB PHE 53 2HB PHE 53 -8.654 -5.493 -2.613
95 2HB PHE 53 1HB PHE 53 -9.026 -6.250 -1.078
96 HD1 PHE 53 HD2 PHE 53 -7.345 -5.861 0.857
97 HD2 PHE 53 HD1 PHE 53 -7.276 -3.563 -2.731
98 HE1 PHE 53 HE2 PHE 53 -6.022 -4.124 1.985
99 HE2 PHE 53 HE1 PHE 53 -5.962 -1.831 -1.593
100 HZ PHE 53 HZ PHE 53 -5.337 -2.108 0.761
101 H VAL 54 H VAL 54 -8.717 -8.387 -0.468
102 HA VAL 54 HA VAL 54 -9.722 -10.324 -2.547
103 HB VAL 54 HB VAL 54 -9.758 -12.008 -0.670
104 1HG1 VAL 54 1HG1 VAL 54 -7.076 -10.653 -1.108
105 2HG1 VAL 54 3HG1 VAL 54 -7.291 -12.291 -0.497
106 3HG1 VAL 54 2HG1 VAL 54 -7.781 -11.893 -2.140
107 1HG2 VAL 54 3HG2 VAL 54 -8.587 -9.683 0.870
108 2HG2 VAL 54 2HG2 VAL 54 -9.985 -10.667 1.288
109 3HG2 VAL 54 1HG2 VAL 54 -8.367 -11.350 1.392
110 H ARG 55 H ARG 55 -10.384 -8.709 0.528
111 HA ARG 55 HA ARG 55 -13.251 -9.433 0.369
112 1HB ARG 55 2HB ARG 55 -11.793 -9.261 2.547
113 2HB ARG 55 1HB ARG 55 -11.926 -7.519 2.356
114 1HG ARG 55 2HG ARG 55 -13.773 -7.946 3.735
115 2HG ARG 55 1HG ARG 55 -14.527 -8.031 2.154
116 1HD ARG 55 2HD ARG 55 -15.198 -9.961 3.551
117 2HD ARG 55 1HD ARG 55 -14.259 -10.506 2.166
118 HE ARG 55 HE ARG 55 -12.410 -10.091 4.244
119 1HH1 ARG 55 HH2 ARG 55 -14.315 -12.404 2.796
120 2HH1 ARG 55 HH2 ARG 55 -14.244 -13.556 4.088
121 1HH2 ARG 55 HH1 ARG 55 -12.663 -11.312 6.270
122 2HH2 ARG 55 HH1 ARG 55 -13.284 -12.921 6.108
123 H ASN 56 H ASN 56 -14.923 -7.853 0.277
124 HA ASN 56 HA ASN 56 -14.360 -5.716 -1.588
125 1HB ASN 56 2HB ASN 56 -16.581 -7.071 -1.227
126 2HB ASN 56 1HB ASN 56 -16.893 -5.949 0.097
127 1HD2 ASN 56 HD2 ASN 56 -16.411 -3.342 -2.769
128 2HD2 ASN 56 HD2 ASN 56 -15.231 -3.930 -1.700
129 H HIS 57 H HIS 57 -15.579 -5.649 1.765
130 HA HIS 57 HA HIS 57 -15.522 -2.887 2.171
131 1HB HIS 57 2HB HIS 57 -16.332 -3.910 4.115
132 2HB HIS 57 1HB HIS 57 -15.349 -5.347 3.878
133 HD1 HIS 57 HD1 HIS 57 -12.965 -5.164 4.862
134 HD2 HIS 57 HD2 HIS 57 -15.287 -1.998 5.871
135 HE1 HIS 57 HE1 HIS 57 -11.776 -4.087 6.670
136 H ASP 58 H ASP 58 -12.791 -5.130 2.139
137 HA ASP 58 HA ASP 58 -10.849 -3.383 3.260
138 1HB ASP 58 2HB ASP 58 -10.729 -5.637 1.211
139 2HB ASP 58 1HB ASP 58 -9.272 -4.739 1.624
140 H LEU 59 H LEU 59 -11.963 -3.777 -0.077
141 HA LEU 59 HA LEU 59 -10.212 -1.779 -1.207
142 1HB LEU 59 2HB LEU 59 -11.816 -3.690 -2.278
143 2HB LEU 59 1HB LEU 59 -12.979 -2.379 -2.350
144 HG LEU 59 HG LEU 59 -11.747 -2.531 -4.466
145 1HD1 LEU 59 HD1 LEU 59 -12.394 -0.276 -3.411
146 2HD1 LEU 59 HD1 LEU 59 -10.694 -0.089 -3.010
147 3HD1 LEU 59 HD1 LEU 59 -11.186 -0.224 -4.690
148 1HD2 LEU 59 HD2 LEU 59 -9.584 -3.383 -3.030
149 2HD2 LEU 59 HD2 LEU 59 -9.439 -2.728 -4.655
150 3HD2 LEU 59 HD2 LEU 59 -9.117 -1.707 -3.260
151 H ILE 60 H ILE 60 -13.570 -1.695 -0.030
152 HA ILE 60 HA ILE 60 -13.983 1.055 -0.671
153 HB ILE 60 HB ILE 60 -15.242 -0.480 1.650
154 1HG1 ILE 60 2HG1 ILE 60 -15.969 -0.493 -1.304
155 2HG1 ILE 60 1HG1 ILE 60 -15.386 -1.862 -0.366
156 1HG2 ILE 60 2HG2 ILE 60 -15.645 2.062 1.269
157 2HG2 ILE 60 1HG2 ILE 60 -16.451 1.611 -0.231
158 3HG2 ILE 60 3HG2 ILE 60 -17.093 1.064 1.316
159 1HD1 ILE 60 HD1 ILE 60 -17.444 -1.383 1.184
160 2HD1 ILE 60 HD1 ILE 60 -18.053 -0.456 -0.187
161 3HD1 ILE 60 HD1 ILE 60 -17.727 -2.177 -0.363
162 H ARG 61 H ARG 61 -12.544 -0.559 2.064
163 HA ARG 61 HA ARG 61 -12.380 1.937 3.616
164 1HB ARG 61 2HB ARG 61 -12.612 -0.512 4.540
165 2HB ARG 61 1HB ARG 61 -10.890 -0.662 4.205
166 1HG ARG 61 2HG ARG 61 -10.414 1.270 5.638
167 2HG ARG 61 1HG ARG 61 -12.135 1.520 5.916
168 1HD ARG 61 2HD ARG 61 -12.329 -0.565 7.108
169 2HD ARG 61 1HD ARG 61 -10.711 -1.070 6.612
170 HE ARG 61 HE ARG 61 -10.807 1.427 8.175
171 1HH1 ARG 61 HH2 ARG 61 -8.346 0.025 8.256
172 2HH1 ARG 61 HH2 ARG 61 -8.422 -0.954 9.684
173 1HH2 ARG 61 HH1 ARG 61 -11.908 -0.673 9.930
174 2HH2 ARG 61 HH1 ARG 61 -10.494 -1.359 10.657
175 H HIS 62 H HIS 62 -10.422 0.031 1.463
176 HA HIS 62 HA HIS 62 -7.939 1.379 2.165
177 1HB HIS 62 2HB HIS 62 -7.602 -0.823 1.266
178 2HB HIS 62 1HB HIS 62 -8.793 -0.573 0.017
179 HD1 HIS 62 HD1 HIS 62 -5.306 0.028 0.693
180 HD2 HIS 62 HD2 HIS 62 -7.968 0.936 -2.242
181 HE1 HIS 62 HE1 HIS 62 -3.956 0.982 -1.075
182 H LYS 63 H LYS 63 -10.479 1.722 -0.217
183 HA LYS 63 HA LYS 63 -9.096 3.552 -1.921
184 1HB LYS 63 2HB LYS 63 -11.064 2.492 -2.798
185 2HB LYS 63 1HB LYS 63 -12.019 2.899 -1.381
186 1HG LYS 63 2HG LYS 63 -12.146 5.215 -2.012
187 2HG LYS 63 1HG LYS 63 -10.896 5.019 -3.237
188 1HD LYS 63 2HD LYS 63 -12.335 3.748 -4.655
189 2HD LYS 63 1HD LYS 63 -13.498 3.472 -3.362
190 1HE LYS 63 2HE LYS 63 -12.848 6.246 -4.394
191 2HE LYS 63 1HE LYS 63 -14.139 5.267 -5.078
192 1HZ LYS 63 1HZ LYS 63 -14.915 5.060 -2.661
193 2HZ LYS 63 3HZ LYS 63 -13.921 6.406 -2.371
194 3HZ LYS 63 2HZ LYS 63 -15.202 6.520 -3.480
195 H LYS 64 H LYS 64 -10.657 3.929 1.154
196 HA LYS 64 HA LYS 64 -11.315 6.680 1.057
197 1HB LYS 64 2HB LYS 64 -10.262 4.920 3.329
198 2HB LYS 64 1HB LYS 64 -10.762 6.587 3.593
199 1HG LYS 64 2HG LYS 64 -12.993 5.854 2.417
200 2HG LYS 64 1HG LYS 64 -12.455 4.216 2.767
201 1HD LYS 64 2HD LYS 64 -12.878 6.444 4.791
202 2HD LYS 64 1HD LYS 64 -13.873 5.008 4.602
203 1HE LYS 64 2HE LYS 64 -12.424 4.478 6.405
204 2HE LYS 64 1HE LYS 64 -11.697 3.674 5.024
205 1HZ LYS 64 3HZ LYS 64 -10.813 6.388 5.406
206 2HZ LYS 64 2HZ LYS 64 -10.408 5.341 6.680
207 3HZ LYS 64 1HZ LYS 64 -9.915 4.981 5.098
208 H SER 65 H SER 65 -8.221 5.091 1.329
209 HA SER 65 HA SER 65 -6.702 7.320 2.271
210 1HB SER 65 2HB SER 65 -5.751 5.137 0.341
211 2HB SER 65 1HB SER 65 -4.764 6.038 1.506
212 HG SER 65 HG SER 65 -5.322 4.504 2.834
213 H HIS 66 H HIS 66 -7.821 6.396 -0.919
214 HA HIS 66 HA HIS 66 -6.196 8.418 -2.271
215 1HB HIS 66 2HB HIS 66 -8.589 6.747 -3.198
216 2HB HIS 66 1HB HIS 66 -7.587 7.733 -4.263
217 HD1 HIS 66 HD1 HIS 66 -4.902 7.025 -3.305
218 HD2 HIS 66 HD2 HIS 66 -7.739 4.168 -3.688
219 HE1 HIS 66 HE1 HIS 66 -3.691 4.941 -3.462
220 H GLN 67 H GLN 67 -8.199 9.113 -0.102
221 HA GLN 67 HA GLN 67 -9.752 11.175 -1.664
222 1HB GLN 67 2HB GLN 67 -10.422 9.950 1.063
223 2HB GLN 67 1HB GLN 67 -11.437 11.051 0.140
224 1HG GLN 67 2HG GLN 67 -10.566 8.300 -0.818
225 2HG GLN 67 1HG GLN 67 -12.143 8.663 -0.119
226 1HE2 GLN 67 2HE2 GLN 67 -11.527 9.377 -4.008
227 2HE2 GLN 67 1HE2 GLN 67 -10.463 8.471 -3.044
228 H GLU 68 H GLU 68 -7.505 12.207 -1.342
229 HA GLU 68 HA GLU 68 -7.683 13.924 1.107
230 1HB GLU 68 2HB GLU 68 -5.102 13.752 1.187
231 2HB GLU 68 1HB GLU 68 -5.967 12.302 1.684
232 1HG GLU 68 2HG GLU 68 -5.553 11.213 -0.406
233 2HG GLU 68 1HG GLU 68 -5.060 12.720 -1.176
234 H LYS 69 H LYS 69 -8.377 14.391 -1.680
235 HA LYS 69 HA LYS 69 -6.340 15.849 -3.039
236 1HB LYS 69 2HB LYS 69 -8.697 15.072 -3.872
237 2HB LYS 69 1HB LYS 69 -9.310 16.547 -3.131
238 1HG LYS 69 2HG LYS 69 -7.832 17.909 -4.517
239 2HG LYS 69 1HG LYS 69 -7.065 16.472 -5.178
240 1HD LYS 69 2HD LYS 69 -9.394 15.778 -5.994
241 2HD LYS 69 1HD LYS 69 -9.914 17.412 -5.594
242 1HE LYS 69 2HE LYS 69 -7.809 16.572 -7.606
243 2HE LYS 69 1HE LYS 69 -9.290 17.469 -7.910
244 1HZ LYS 69 1HZ LYS 69 -7.873 18.903 -6.015
245 2HZ LYS 69 3HZ LYS 69 -6.745 18.446 -7.200
246 3HZ LYS 69 2HZ LYS 69 -8.138 19.314 -7.640
247 H ALA 70 H ALA 70 -6.323 18.220 -3.370
248 HA ALA 70 HA ALA 70 -7.416 19.855 -1.157
249 1HB ALA 70 3HB ALA 70 -5.152 18.875 -0.413
250 2HB ALA 70 2HB ALA 70 -4.409 19.790 -1.720
251 3HB ALA 70 1HB ALA 70 -5.226 20.634 -0.408
No H/Q in entry = 251
Start of MODEL 24
1 1H ASP 39 2H ASP 39 -8.126 -14.605 -8.122
2 2H ASP 39 1H ASP 39 -8.914 -15.552 -9.293
3 3H ASP 39 3H ASP 39 -8.205 -14.072 -9.734
4 HA ASP 39 HA ASP 39 -10.418 -13.529 -9.626
5 1HB ASP 39 2HB ASP 39 -10.537 -15.122 -7.011
6 2HB ASP 39 1HB ASP 39 -11.902 -14.344 -7.808
7 H ARG 40 H ARG 40 -10.319 -11.428 -9.224
8 HA ARG 40 HA ARG 40 -9.797 -10.516 -6.427
9 1HB ARG 40 2HB ARG 40 -8.330 -9.512 -8.925
10 2HB ARG 40 1HB ARG 40 -8.246 -8.733 -7.351
11 1HG ARG 40 2HG ARG 40 -6.372 -10.098 -7.146
12 2HG ARG 40 1HG ARG 40 -7.578 -11.237 -6.560
13 1HD ARG 40 2HD ARG 40 -6.584 -12.577 -8.189
14 2HD ARG 40 1HD ARG 40 -7.761 -11.769 -9.224
15 HE ARG 40 HE ARG 40 -4.965 -11.536 -9.534
16 1HH1 ARG 40 HH1 ARG 40 -4.476 -9.064 -8.729
17 2HH1 ARG 40 HH1 ARG 40 -5.242 -7.948 -9.808
18 1HH2 ARG 40 HH2 ARG 40 -7.394 -10.383 -11.123
19 2HH2 ARG 40 HH2 ARG 40 -6.938 -8.713 -11.200
20 HA PRO 41 HA PRO 41 -13.300 -8.399 -8.723
21 1HB PRO 41 2HB PRO 41 -14.759 -8.693 -6.155
22 2HB PRO 41 1HB PRO 41 -15.227 -9.284 -7.755
23 1HG PRO 41 2HG PRO 41 -14.276 -10.881 -5.582
24 2HG PRO 41 1HG PRO 41 -14.475 -11.419 -7.256
25 1HD PRO 41 1HD PRO 41 -11.980 -10.848 -5.805
26 2HD PRO 41 2HD PRO 41 -12.180 -11.603 -7.396
27 H TYR 42 H TYR 42 -11.242 -7.957 -6.179
28 HA TYR 42 HA TYR 42 -12.090 -5.107 -5.799
29 1HB TYR 42 2HB TYR 42 -10.938 -7.085 -3.759
30 2HB TYR 42 1HB TYR 42 -11.115 -5.366 -3.470
31 HD1 TYR 42 HD1 TYR 42 -13.481 -4.349 -3.786
32 HD2 TYR 42 HD2 TYR 42 -12.779 -8.522 -3.372
33 HE1 TYR 42 HE1 TYR 42 -15.828 -4.680 -3.178
34 HE2 TYR 42 HE2 TYR 42 -15.130 -8.855 -2.763
35 HH TYR 42 HH TYR 42 -17.163 -6.405 -1.846
36 H SER 43 H SER 43 -10.618 -4.659 -7.510
37 HA SER 43 HA SER 43 -7.725 -4.770 -6.663
38 1HB SER 43 2HB SER 43 -8.465 -6.081 -8.785
39 2HB SER 43 1HB SER 43 -8.739 -4.497 -9.533
40 HG SER 43 HG SER 43 -6.531 -4.070 -8.504
41 H CYS 44 H CYS 44 -7.784 -2.748 -5.598
42 HA CYS 44 HA CYS 44 -8.887 -0.341 -6.448
43 1HB CYS 44 2HB CYS 44 -7.717 -0.158 -4.433
44 2HB CYS 44 1HB CYS 44 -6.363 -1.096 -5.011
45 H ASP 45 H ASP 45 -7.716 1.546 -7.408
46 HA ASP 45 HA ASP 45 -5.709 0.824 -9.469
47 1HB ASP 45 2HB ASP 45 -7.983 0.370 -10.481
48 2HB ASP 45 1HB ASP 45 -8.408 2.058 -10.209
49 H HIS 46 H HIS 46 -5.472 2.569 -7.221
50 HA HIS 46 HA HIS 46 -5.772 5.285 -8.296
51 1HB HIS 46 2HB HIS 46 -6.185 4.922 -5.911
52 2HB HIS 46 1HB HIS 46 -4.636 4.123 -5.709
53 HD1 HIS 46 HD1 HIS 46 -5.901 7.491 -6.565
54 HD2 HIS 46 HD2 HIS 46 -2.610 5.771 -4.966
55 HE1 HIS 46 HE1 HIS 46 -4.528 9.353 -5.844
56 HA PRO 47 HA PRO 47 -1.807 5.205 -10.372
57 1HB PRO 47 2HB PRO 47 -1.208 8.002 -9.589
58 2HB PRO 47 1HB PRO 47 -1.583 7.362 -11.195
59 1HG PRO 47 2HG PRO 47 -3.338 8.882 -9.455
60 2HG PRO 47 1HG PRO 47 -3.728 8.206 -11.042
61 1HD PRO 47 1HD PRO 47 -4.683 7.291 -8.482
62 2HD PRO 47 2HD PRO 47 -5.000 6.554 -10.062
63 H GLY 48 H GLY 48 -1.711 7.090 -7.337
64 1HA GLY 48 2HA GLY 48 1.039 6.326 -6.824
65 2HA GLY 48 1HA GLY 48 -0.023 7.152 -5.694
66 H CYS 49 H CYS 49 -0.641 3.986 -7.220
67 HA CYS 49 HA CYS 49 0.271 2.422 -4.993
68 1HB CYS 49 2HB CYS 49 -1.405 3.367 -3.656
69 2HB CYS 49 1HB CYS 49 -2.535 3.466 -4.967
70 H ASP 50 H ASP 50 -0.690 0.265 -4.912
71 HA ASP 50 HA ASP 50 -2.113 -0.691 -7.293
72 1HB ASP 50 2HB ASP 50 0.257 -0.559 -8.090
73 2HB ASP 50 1HB ASP 50 0.786 -1.507 -6.702
74 H LYS 51 H LYS 51 -2.027 -0.681 -4.215
75 HA LYS 51 HA LYS 51 -1.630 -3.341 -3.305
76 1HB LYS 51 2HB LYS 51 -3.400 -1.076 -2.321
77 2HB LYS 51 1HB LYS 51 -3.274 -2.594 -1.450
78 1HG LYS 51 2HG LYS 51 -0.631 -2.093 -1.667
79 2HG LYS 51 1HG LYS 51 -1.198 -0.437 -1.832
80 1HD LYS 51 2HD LYS 51 -0.947 -0.605 0.497
81 2HD LYS 51 1HD LYS 51 -2.647 -1.010 0.312
82 1HE LYS 51 2HE LYS 51 -1.883 -2.754 1.686
83 2HE LYS 51 1HE LYS 51 -1.767 -3.484 0.092
84 1HZ LYS 51 2HZ LYS 51 0.510 -2.048 1.299
85 2HZ LYS 51 1HZ LYS 51 0.219 -3.689 1.623
86 3HZ LYS 51 3HZ LYS 51 0.521 -3.178 0.032
87 H ALA 52 H ALA 52 -2.560 -4.862 -4.639
88 HA ALA 52 HA ALA 52 -5.309 -4.686 -5.512
89 1HB ALA 52 3HB ALA 52 -3.465 -6.123 -6.570
90 2HB ALA 52 2HB ALA 52 -3.595 -7.200 -5.185
91 3HB ALA 52 1HB ALA 52 -4.964 -6.995 -6.272
92 H PHE 53 H PHE 53 -7.080 -5.970 -4.768
93 HA PHE 53 HA PHE 53 -6.781 -7.066 -1.983
94 1HB PHE 53 2HB PHE 53 -8.745 -4.975 -3.021
95 2HB PHE 53 1HB PHE 53 -9.170 -5.980 -1.639
96 HD1 PHE 53 HD2 PHE 53 -7.692 -5.907 0.418
97 HD2 PHE 53 HD1 PHE 53 -7.138 -3.203 -2.829
98 HE1 PHE 53 HE2 PHE 53 -6.318 -4.460 1.850
99 HE2 PHE 53 HE1 PHE 53 -5.764 -1.767 -1.393
100 HZ PHE 53 HZ PHE 53 -5.360 -2.384 0.947
101 H VAL 54 H VAL 54 -8.589 -8.422 -1.341
102 HA VAL 54 HA VAL 54 -10.051 -9.681 -3.645
103 HB VAL 54 HB VAL 54 -8.752 -11.280 -1.383
104 1HG1 VAL 54 2HG1 VAL 54 -9.792 -11.949 -4.159
105 2HG1 VAL 54 1HG1 VAL 54 -8.929 -13.091 -3.134
106 3HG1 VAL 54 3HG1 VAL 54 -10.489 -12.454 -2.623
107 1HG2 VAL 54 3HG2 VAL 54 -7.598 -10.451 -4.063
108 2HG2 VAL 54 2HG2 VAL 54 -6.913 -10.155 -2.467
109 3HG2 VAL 54 1HG2 VAL 54 -6.961 -11.792 -3.114
110 H ARG 55 H ARG 55 -10.168 -8.310 -0.596
111 HA ARG 55 HA ARG 55 -12.758 -9.700 0.069
112 1HB ARG 55 2HB ARG 55 -10.701 -8.350 1.895
113 2HB ARG 55 1HB ARG 55 -12.253 -8.979 2.444
114 1HG ARG 55 2HG ARG 55 -11.533 -11.228 1.428
115 2HG ARG 55 1HG ARG 55 -9.920 -10.537 1.291
116 1HD ARG 55 2HD ARG 55 -9.920 -10.071 3.731
117 2HD ARG 55 1HD ARG 55 -11.525 -10.786 3.861
118 HE ARG 55 HE ARG 55 -9.604 -12.600 2.639
119 1HH1 ARG 55 HH1 ARG 55 -11.531 -13.905 4.176
120 2HH1 ARG 55 HH1 ARG 55 -10.830 -14.132 5.744
121 1HH2 ARG 55 HH2 ARG 55 -8.363 -11.701 5.214
122 2HH2 ARG 55 HH2 ARG 55 -8.990 -12.851 6.348
123 H ASN 56 H ASN 56 -14.495 -8.440 0.559
124 HA ASN 56 HA ASN 56 -14.454 -5.742 -0.467
125 1HB ASN 56 2HB ASN 56 -16.473 -7.395 -0.332
126 2HB ASN 56 1HB ASN 56 -16.594 -6.937 1.360
127 1HD2 ASN 56 HD2 ASN 56 -18.808 -4.470 -0.018
128 2HD2 ASN 56 HD2 ASN 56 -18.768 -6.025 0.660
129 H HIS 57 H HIS 57 -15.496 -3.988 1.004
130 HA HIS 57 HA HIS 57 -15.319 -2.602 2.876
131 1HB HIS 57 2HB HIS 57 -14.008 -4.825 4.500
132 2HB HIS 57 1HB HIS 57 -15.173 -3.612 5.019
133 HD1 HIS 57 HD1 HIS 57 -15.144 -6.972 4.467
134 HD2 HIS 57 HD2 HIS 57 -17.769 -4.091 3.353
135 HE1 HIS 57 HE1 HIS 57 -17.195 -8.163 3.999
136 H ASP 58 H ASP 58 -12.491 -4.845 2.861
137 HA ASP 58 HA ASP 58 -10.630 -2.928 3.765
138 1HB ASP 58 2HB ASP 58 -10.320 -5.246 1.788
139 2HB ASP 58 1HB ASP 58 -8.949 -4.344 2.430
140 H LEU 59 H LEU 59 -11.668 -3.717 0.481
141 HA LEU 59 HA LEU 59 -10.006 -1.788 -0.857
142 1HB LEU 59 2HB LEU 59 -11.310 -3.799 -1.826
143 2HB LEU 59 1HB LEU 59 -12.774 -2.870 -1.667
144 HG LEU 59 HG LEU 59 -11.608 -2.951 -4.004
145 1HD1 LEU 59 HD1 LEU 59 -13.463 -1.368 -3.279
146 2HD1 LEU 59 HD1 LEU 59 -12.213 -0.183 -2.956
147 3HD1 LEU 59 HD1 LEU 59 -12.437 -0.786 -4.583
148 1HD2 LEU 59 HD2 LEU 59 -9.325 -2.348 -2.984
149 2HD2 LEU 59 HD2 LEU 59 -9.797 -1.492 -4.446
150 3HD2 LEU 59 HD2 LEU 59 -9.934 -0.695 -2.884
151 H ILE 60 H ILE 60 -13.245 -1.653 0.533
152 HA ILE 60 HA ILE 60 -13.887 0.950 -0.472
153 HB ILE 60 HB ILE 60 -14.843 -0.281 2.151
154 1HG1 ILE 60 2HG1 ILE 60 -15.752 -0.822 -0.699
155 2HG1 ILE 60 1HG1 ILE 60 -15.081 -1.985 0.440
156 1HG2 ILE 60 1HG2 ILE 60 -15.441 2.159 1.388
157 2HG2 ILE 60 3HG2 ILE 60 -16.389 1.399 0.113
158 3HG2 ILE 60 2HG2 ILE 60 -16.794 1.112 1.803
159 1HD1 ILE 60 HD1 ILE 60 -17.070 -1.334 1.979
160 2HD1 ILE 60 HD1 ILE 60 -17.772 -0.604 0.539
161 3HD1 ILE 60 HD1 ILE 60 -17.432 -2.330 0.575
162 H ARG 61 H ARG 61 -12.426 -0.159 2.535
163 HA ARG 61 HA ARG 61 -12.164 2.563 3.561
164 1HB ARG 61 2HB ARG 61 -10.914 -0.082 4.476
165 2HB ARG 61 1HB ARG 61 -10.890 1.420 5.395
166 1HG ARG 61 2HG ARG 61 -13.462 1.390 5.204
167 2HG ARG 61 1HG ARG 61 -13.291 -0.275 4.666
168 1HD ARG 61 2HD ARG 61 -12.179 0.810 7.272
169 2HD ARG 61 1HD ARG 61 -13.671 -0.117 7.127
170 HE ARG 61 HE ARG 61 -11.518 -1.573 5.909
171 1HH1 ARG 61 HH2 ARG 61 -11.773 -0.154 8.941
172 2HH1 ARG 61 HH2 ARG 61 -11.583 -1.618 9.846
173 1HH2 ARG 61 HH1 ARG 61 -11.723 -3.642 6.987
174 2HH2 ARG 61 HH1 ARG 61 -11.555 -3.645 8.711
175 H HIS 62 H HIS 62 -10.301 0.364 1.637
176 HA HIS 62 HA HIS 62 -7.793 1.836 2.056
177 1HB HIS 62 2HB HIS 62 -7.477 -0.523 1.629
178 2HB HIS 62 1HB HIS 62 -8.610 -0.499 0.301
179 HD1 HIS 62 HD1 HIS 62 -5.141 -0.049 0.941
180 HD2 HIS 62 HD2 HIS 62 -7.705 0.869 -2.061
181 HE1 HIS 62 HE1 HIS 62 -3.707 0.691 -0.871
182 H LYS 63 H LYS 63 -10.418 1.750 -0.257
183 HA LYS 63 HA LYS 63 -8.992 3.394 -2.210
184 1HB LYS 63 2HB LYS 63 -10.786 1.650 -2.769
185 2HB LYS 63 1HB LYS 63 -11.969 2.745 -2.068
186 1HG LYS 63 2HG LYS 63 -12.087 3.385 -4.318
187 2HG LYS 63 1HG LYS 63 -10.871 4.514 -3.739
188 1HD LYS 63 2HD LYS 63 -9.092 2.916 -4.489
189 2HD LYS 63 1HD LYS 63 -10.341 1.866 -5.136
190 1HE LYS 63 2HE LYS 63 -11.135 3.838 -6.522
191 2HE LYS 63 1HE LYS 63 -9.691 4.696 -6.002
192 1HZ LYS 63 2HZ LYS 63 -9.229 2.042 -7.047
193 2HZ LYS 63 1HZ LYS 63 -9.824 3.161 -8.177
194 3HZ LYS 63 3HZ LYS 63 -8.387 3.489 -7.333
195 H LYS 64 H LYS 64 -11.943 3.872 -0.268
196 HA LYS 64 HA LYS 64 -12.334 6.586 -0.823
197 1HB LYS 64 2HB LYS 64 -12.753 5.009 1.762
198 2HB LYS 64 1HB LYS 64 -13.345 6.653 1.544
199 1HG LYS 64 2HG LYS 64 -14.532 5.824 -0.556
200 2HG LYS 64 1HG LYS 64 -14.118 4.191 -0.050
201 1HD LYS 64 2HD LYS 64 -15.320 4.519 2.071
202 2HD LYS 64 1HD LYS 64 -15.682 6.183 1.627
203 1HE LYS 64 2HE LYS 64 -16.576 3.735 0.072
204 2HE LYS 64 1HE LYS 64 -17.597 4.663 1.161
205 1HZ LYS 64 3HZ LYS 64 -17.156 6.622 -0.247
206 2HZ LYS 64 2HZ LYS 64 -16.330 5.619 -1.341
207 3HZ LYS 64 1HZ LYS 64 -17.987 5.381 -1.056
208 H SER 65 H SER 65 -9.659 5.194 0.670
209 HA SER 65 HA SER 65 -8.980 7.537 2.328
210 1HB SER 65 2HB SER 65 -7.047 6.199 2.994
211 2HB SER 65 1HB SER 65 -8.369 5.030 2.816
212 HG SER 65 HG SER 65 -7.401 5.427 0.415
213 H HIS 66 H HIS 66 -8.147 6.198 -0.809
214 HA HIS 66 HA HIS 66 -5.779 7.616 -1.352
215 1HB HIS 66 2HB HIS 66 -8.067 6.543 -3.031
216 2HB HIS 66 1HB HIS 66 -6.912 7.609 -3.832
217 HD1 HIS 66 HD1 HIS 66 -4.368 6.709 -2.804
218 HD2 HIS 66 HD2 HIS 66 -7.245 3.994 -3.563
219 HE1 HIS 66 HE1 HIS 66 -3.213 4.611 -3.051
220 H GLN 67 H GLN 67 -9.117 8.730 -1.460
221 HA GLN 67 HA GLN 67 -8.372 11.317 -2.621
222 1HB GLN 67 2HB GLN 67 -10.925 10.180 -1.387
223 2HB GLN 67 1HB GLN 67 -10.822 11.851 -1.933
224 1HG GLN 67 2HG GLN 67 -10.072 10.974 -4.193
225 2HG GLN 67 1HG GLN 67 -10.442 9.351 -3.614
226 1HE2 GLN 67 2HE2 GLN 67 -13.876 9.695 -4.248
227 2HE2 GLN 67 1HE2 GLN 67 -12.560 8.670 -3.932
228 H GLU 68 H GLU 68 -6.770 10.954 -0.449
229 HA GLU 68 HA GLU 68 -7.789 13.080 1.402
230 1HB GLU 68 2HB GLU 68 -6.513 10.409 2.221
231 2HB GLU 68 1HB GLU 68 -6.781 11.747 3.330
232 1HG GLU 68 2HG GLU 68 -8.981 10.389 1.736
233 2HG GLU 68 1HG GLU 68 -8.614 10.043 3.420
234 H LYS 69 H LYS 69 -5.076 11.813 2.761
235 HA LYS 69 HA LYS 69 -3.440 14.034 1.771
236 1HB LYS 69 2HB LYS 69 -1.776 13.156 3.436
237 2HB LYS 69 1HB LYS 69 -3.368 13.339 4.166
238 1HG LYS 69 2HG LYS 69 -3.681 10.811 3.430
239 2HG LYS 69 1HG LYS 69 -1.925 10.807 3.366
240 1HD LYS 69 2HD LYS 69 -3.592 11.605 5.776
241 2HD LYS 69 1HD LYS 69 -2.731 10.082 5.591
242 1HE LYS 69 2HE LYS 69 -1.528 12.861 5.751
243 2HE LYS 69 1HE LYS 69 -1.326 11.548 6.905
244 1HZ LYS 69 3HZ LYS 69 -0.544 10.515 4.485
245 2HZ LYS 69 2HZ LYS 69 0.118 12.078 4.524
246 3HZ LYS 69 1HZ LYS 69 0.463 10.977 5.770
247 H ALA 70 H ALA 70 -2.202 13.930 0.038
248 HA ALA 70 HA ALA 70 -1.593 11.327 -1.208
249 1HB ALA 70 2HB ALA 70 -0.953 14.220 -1.978
250 2HB ALA 70 1HB ALA 70 -0.533 12.829 -2.974
251 3HB ALA 70 3HB ALA 70 -2.224 13.210 -2.663
No H/Q in entry = 251
Start of MODEL 25
1 1H ASP 39 3H ASP 39 -8.398 -14.925 -3.869
2 2H ASP 39 2H ASP 39 -8.536 -16.249 -4.922
3 3H ASP 39 1H ASP 39 -7.003 -15.630 -4.532
4 HA ASP 39 HA ASP 39 -7.181 -14.576 -6.474
5 1HB ASP 39 2HB ASP 39 -10.216 -14.668 -6.062
6 2HB ASP 39 1HB ASP 39 -9.416 -14.058 -7.509
7 H ARG 40 H ARG 40 -7.459 -12.361 -7.123
8 HA ARG 40 HA ARG 40 -8.486 -10.514 -5.010
9 1HB ARG 40 2HB ARG 40 -5.770 -10.128 -6.342
10 2HB ARG 40 1HB ARG 40 -6.407 -9.292 -4.930
11 1HG ARG 40 2HG ARG 40 -6.444 -11.513 -3.729
12 2HG ARG 40 1HG ARG 40 -5.609 -12.212 -5.110
13 1HD ARG 40 2HD ARG 40 -3.731 -10.668 -4.801
14 2HD ARG 40 1HD ARG 40 -4.581 -9.856 -3.488
15 HE ARG 40 HE ARG 40 -3.614 -11.517 -2.130
16 1HH1 ARG 40 HH1 ARG 40 -3.020 -12.605 -5.169
17 2HH1 ARG 40 HH1 ARG 40 -3.237 -14.293 -4.847
18 1HH2 ARG 40 HH2 ARG 40 -4.571 -13.715 -1.656
19 2HH2 ARG 40 HH2 ARG 40 -4.139 -14.938 -2.804
20 HA PRO 41 HA PRO 41 -9.476 -9.231 -9.343
21 1HB PRO 41 2HB PRO 41 -12.278 -8.964 -8.757
22 2HB PRO 41 1HB PRO 41 -11.521 -10.308 -9.621
23 1HG PRO 41 2HG PRO 41 -12.616 -10.277 -6.880
24 2HG PRO 41 1HG PRO 41 -12.089 -11.669 -7.837
25 1HD PRO 41 1HD PRO 41 -10.676 -10.398 -5.646
26 2HD PRO 41 2HD PRO 41 -10.125 -11.775 -6.620
27 H TYR 42 H TYR 42 -10.083 -7.983 -6.174
28 HA TYR 42 HA TYR 42 -10.931 -5.370 -7.200
29 1HB TYR 42 2HB TYR 42 -10.711 -6.607 -4.432
30 2HB TYR 42 1HB TYR 42 -10.708 -4.857 -4.562
31 HD1 TYR 42 HD1 TYR 42 -12.717 -4.398 -6.826
32 HD2 TYR 42 HD2 TYR 42 -12.806 -7.032 -3.470
33 HE1 TYR 42 HE1 TYR 42 -15.120 -4.226 -6.768
34 HE2 TYR 42 HE2 TYR 42 -15.228 -6.804 -3.396
35 HH TYR 42 HH TYR 42 -16.950 -4.595 -4.669
36 H SER 43 H SER 43 -8.893 -5.296 -8.346
37 HA SER 43 HA SER 43 -6.579 -4.456 -6.677
38 1HB SER 43 2HB SER 43 -6.404 -5.952 -8.757
39 2HB SER 43 1HB SER 43 -6.831 -4.528 -9.718
40 HG SER 43 HG SER 43 -4.544 -5.065 -8.226
41 H CYS 44 H CYS 44 -7.774 -2.528 -5.903
42 HA CYS 44 HA CYS 44 -8.852 -0.468 -7.424
43 1HB CYS 44 2HB CYS 44 -8.807 -0.195 -5.057
44 2HB CYS 44 1HB CYS 44 -7.086 -0.458 -4.971
45 H ASP 45 H ASP 45 -8.066 0.268 -9.288
46 HA ASP 45 HA ASP 45 -5.137 0.630 -9.640
47 1HB ASP 45 2HB ASP 45 -5.792 1.104 -12.016
48 2HB ASP 45 1HB ASP 45 -6.488 -0.418 -11.464
49 H HIS 46 H HIS 46 -5.952 2.402 -7.765
50 HA HIS 46 HA HIS 46 -6.796 4.909 -8.946
51 1HB HIS 46 2HB HIS 46 -7.300 4.563 -6.593
52 2HB HIS 46 1HB HIS 46 -5.647 4.074 -6.237
53 HD1 HIS 46 HD1 HIS 46 -7.682 7.043 -6.616
54 HD2 HIS 46 HD2 HIS 46 -3.753 6.204 -6.079
55 HE1 HIS 46 HE1 HIS 46 -6.677 9.167 -6.034
56 HA PRO 47 HA PRO 47 -2.936 6.274 -10.653
57 1HB PRO 47 2HB PRO 47 -3.213 8.950 -9.356
58 2HB PRO 47 1HB PRO 47 -3.208 8.549 -11.078
59 1HG PRO 47 2HG PRO 47 -5.509 9.214 -9.479
60 2HG PRO 47 1HG PRO 47 -5.521 8.644 -11.153
61 1HD PRO 47 1HD PRO 47 -6.376 7.186 -8.802
62 2HD PRO 47 2HD PRO 47 -6.344 6.599 -10.471
63 H GLY 48 H GLY 48 -1.339 5.226 -9.615
64 1HA GLY 48 2HA GLY 48 0.612 5.232 -8.229
65 2HA GLY 48 1HA GLY 48 -0.078 6.557 -7.292
66 H CYS 49 H CYS 49 -1.019 3.199 -8.096
67 HA CYS 49 HA CYS 49 -1.194 2.607 -5.173
68 1HB CYS 49 2HB CYS 49 -3.451 3.312 -5.897
69 2HB CYS 49 1HB CYS 49 -3.404 2.184 -7.225
70 H ASP 50 H ASP 50 -1.307 0.350 -4.698
71 HA ASP 50 HA ASP 50 -0.929 -1.597 -6.852
72 1HB ASP 50 2HB ASP 50 1.358 -0.802 -4.976
73 2HB ASP 50 1HB ASP 50 1.368 -2.278 -5.939
74 H LYS 51 H LYS 51 -2.456 -0.980 -4.237
75 HA LYS 51 HA LYS 51 -1.766 -3.391 -2.645
76 1HB LYS 51 2HB LYS 51 -3.845 -1.206 -2.227
77 2HB LYS 51 1HB LYS 51 -3.535 -2.511 -1.091
78 1HG LYS 51 2HG LYS 51 -1.009 -1.637 -1.284
79 2HG LYS 51 1HG LYS 51 -1.793 -0.147 -1.795
80 1HD LYS 51 2HD LYS 51 -3.192 -0.229 0.293
81 2HD LYS 51 1HD LYS 51 -2.276 -1.638 0.809
82 1HE LYS 51 2HE LYS 51 -0.173 -0.201 0.502
83 2HE LYS 51 1HE LYS 51 -1.255 1.179 0.369
84 1HZ LYS 51 3HZ LYS 51 -1.607 -0.629 2.639
85 2HZ LYS 51 2HZ LYS 51 -0.277 0.427 2.660
86 3HZ LYS 51 1HZ LYS 51 -1.853 1.049 2.538
87 H ALA 52 H ALA 52 -2.630 -5.265 -3.199
88 HA ALA 52 HA ALA 52 -5.076 -5.400 -4.830
89 1HB ALA 52 3HB ALA 52 -3.058 -6.982 -5.023
90 2HB ALA 52 2HB ALA 52 -3.554 -7.680 -3.485
91 3HB ALA 52 1HB ALA 52 -4.613 -7.790 -4.885
92 H PHE 53 H PHE 53 -6.773 -7.015 -4.145
93 HA PHE 53 HA PHE 53 -7.188 -7.128 -1.200
94 1HB PHE 53 2HB PHE 53 -8.882 -5.538 -3.164
95 2HB PHE 53 1HB PHE 53 -9.567 -6.107 -1.650
96 HD1 PHE 53 HD1 PHE 53 -7.951 -5.655 0.470
97 HD2 PHE 53 HD2 PHE 53 -7.845 -3.431 -3.165
98 HE1 PHE 53 HE1 PHE 53 -6.764 -3.835 1.611
99 HE2 PHE 53 HE2 PHE 53 -6.659 -1.618 -2.013
100 HZ PHE 53 HZ PHE 53 -6.115 -1.823 0.373
101 H VAL 54 H VAL 54 -8.632 -8.624 -0.506
102 HA VAL 54 HA VAL 54 -9.550 -10.595 -2.576
103 HB VAL 54 HB VAL 54 -9.728 -12.074 -0.391
104 1HG1 VAL 54 1HG1 VAL 54 -7.110 -11.058 -1.529
105 2HG1 VAL 54 3HG1 VAL 54 -7.202 -12.419 -0.417
106 3HG1 VAL 54 2HG1 VAL 54 -7.987 -12.514 -1.989
107 1HG2 VAL 54 3HG2 VAL 54 -9.539 -10.110 1.167
108 2HG2 VAL 54 2HG2 VAL 54 -8.321 -11.339 1.473
109 3HG2 VAL 54 1HG2 VAL 54 -7.889 -9.868 0.610
110 H ARG 55 H ARG 55 -10.559 -8.818 0.323
111 HA ARG 55 HA ARG 55 -13.379 -9.720 -0.103
112 1HB ARG 55 2HB ARG 55 -11.749 -8.639 2.194
113 2HB ARG 55 1HB ARG 55 -13.415 -8.076 2.157
114 1HG ARG 55 2HG ARG 55 -13.320 -10.120 3.477
115 2HG ARG 55 1HG ARG 55 -14.159 -10.476 1.973
116 1HD ARG 55 2HD ARG 55 -12.059 -11.374 1.014
117 2HD ARG 55 1HD ARG 55 -11.219 -11.016 2.522
118 HE ARG 55 HE ARG 55 -13.326 -12.603 3.337
119 1HH1 ARG 55 HH1 ARG 55 -10.234 -13.115 2.702
120 2HH1 ARG 55 HH1 ARG 55 -10.370 -14.687 1.988
121 1HH2 ARG 55 HH2 ARG 55 -13.853 -14.464 1.668
122 2HH2 ARG 55 HH2 ARG 55 -12.472 -15.471 1.387
123 H ASN 56 H ASN 56 -14.826 -7.631 0.797
124 HA ASN 56 HA ASN 56 -14.366 -5.582 -1.341
125 1HB ASN 56 2HB ASN 56 -16.578 -6.852 -1.163
126 2HB ASN 56 1HB ASN 56 -16.848 -6.058 0.387
127 1HD2 ASN 56 HD2 ASN 56 -17.892 -3.028 -1.065
128 2HD2 ASN 56 HD2 ASN 56 -17.660 -3.934 0.352
129 H HIS 57 H HIS 57 -15.321 -5.753 2.102
130 HA HIS 57 HA HIS 57 -15.450 -3.037 2.667
131 1HB HIS 57 2HB HIS 57 -15.139 -3.638 4.965
132 2HB HIS 57 1HB HIS 57 -15.730 -5.130 4.247
133 HD1 HIS 57 HD1 HIS 57 -14.151 -7.034 4.411
134 HD2 HIS 57 HD2 HIS 57 -12.259 -3.579 5.367
135 HE1 HIS 57 HE1 HIS 57 -11.991 -7.734 5.253
136 H ASP 58 H ASP 58 -12.453 -4.992 2.667
137 HA ASP 58 HA ASP 58 -10.659 -2.996 3.462
138 1HB ASP 58 2HB ASP 58 -10.112 -4.868 1.109
139 2HB ASP 58 1HB ASP 58 -8.958 -4.272 2.300
140 H LEU 59 H LEU 59 -11.918 -3.632 0.227
141 HA LEU 59 HA LEU 59 -10.523 -1.583 -1.162
142 1HB LEU 59 2HB LEU 59 -12.156 -3.553 -1.943
143 2HB LEU 59 1HB LEU 59 -13.418 -2.342 -1.778
144 HG LEU 59 HG LEU 59 -12.123 -0.868 -3.330
145 1HD1 LEU 59 HD1 LEU 59 -10.170 -3.134 -3.121
146 2HD1 LEU 59 HD1 LEU 59 -10.349 -2.434 -4.723
147 3HD1 LEU 59 HD1 LEU 59 -9.855 -1.426 -3.378
148 1HD2 LEU 59 HD2 LEU 59 -13.269 -3.497 -4.076
149 2HD2 LEU 59 HD2 LEU 59 -13.803 -1.892 -4.526
150 3HD2 LEU 59 HD2 LEU 59 -12.441 -2.620 -5.352
151 H ILE 60 H ILE 60 -13.352 -1.481 0.908
152 HA ILE 60 HA ILE 60 -14.129 1.188 0.101
153 HB ILE 60 HB ILE 60 -14.749 -0.238 2.729
154 1HG1 ILE 60 2HG1 ILE 60 -16.235 -0.363 0.078
155 2HG1 ILE 60 1HG1 ILE 60 -15.301 -1.675 0.783
156 1HG2 ILE 60 3HG2 ILE 60 -15.330 2.227 2.497
157 2HG2 ILE 60 2HG2 ILE 60 -16.311 1.830 1.090
158 3HG2 ILE 60 1HG2 ILE 60 -16.758 1.215 2.679
159 1HD1 ILE 60 HD1 ILE 60 -16.886 -1.219 2.898
160 2HD1 ILE 60 HD1 ILE 60 -17.945 -0.540 1.664
161 3HD1 ILE 60 HD1 ILE 60 -17.441 -2.223 1.559
162 H ARG 61 H ARG 61 -12.612 -0.106 3.028
163 HA ARG 61 HA ARG 61 -11.988 2.501 4.066
164 1HB ARG 61 2HB ARG 61 -12.066 0.164 5.285
165 2HB ARG 61 1HB ARG 61 -10.417 -0.038 4.703
166 1HG ARG 61 2HG ARG 61 -9.988 2.318 5.737
167 2HG ARG 61 1HG ARG 61 -11.500 2.060 6.600
168 1HD ARG 61 2HD ARG 61 -9.917 1.195 8.113
169 2HD ARG 61 1HD ARG 61 -10.419 -0.261 7.254
170 HE ARG 61 HE ARG 61 -8.239 -0.388 6.363
171 1HH1 ARG 61 HH2 ARG 61 -9.017 2.735 7.549
172 2HH1 ARG 61 HH2 ARG 61 -7.443 3.402 7.269
173 1HH2 ARG 61 HH1 ARG 61 -6.190 0.403 5.950
174 2HH2 ARG 61 HH1 ARG 61 -5.799 2.046 6.339
175 H HIS 62 H HIS 62 -10.559 0.479 1.682
176 HA HIS 62 HA HIS 62 -7.924 1.756 1.857
177 1HB HIS 62 2HB HIS 62 -7.923 -0.563 1.139
178 2HB HIS 62 1HB HIS 62 -9.150 -0.236 -0.058
179 HD1 HIS 62 HD1 HIS 62 -5.584 0.128 0.440
180 HD2 HIS 62 HD2 HIS 62 -8.324 1.073 -2.412
181 HE1 HIS 62 HE1 HIS 62 -4.260 0.920 -1.432
182 H LYS 63 H LYS 63 -10.619 1.697 -0.474
183 HA LYS 63 HA LYS 63 -9.439 3.565 -2.280
184 1HB LYS 63 2HB LYS 63 -11.495 2.087 -2.686
185 2HB LYS 63 1HB LYS 63 -12.413 3.206 -1.689
186 1HG LYS 63 2HG LYS 63 -12.819 4.087 -3.826
187 2HG LYS 63 1HG LYS 63 -11.430 5.046 -3.336
188 1HD LYS 63 2HD LYS 63 -9.923 3.525 -4.555
189 2HD LYS 63 1HD LYS 63 -11.282 2.496 -4.988
190 1HE LYS 63 2HE LYS 63 -12.323 4.456 -6.160
191 2HE LYS 63 1HE LYS 63 -10.870 5.386 -5.819
192 1HZ LYS 63 1HZ LYS 63 -9.863 3.162 -6.928
193 2HZ LYS 63 3HZ LYS 63 -11.320 3.327 -7.782
194 3HZ LYS 63 2HZ LYS 63 -10.193 4.598 -7.773
195 H LYS 64 H LYS 64 -11.388 3.998 0.611
196 HA LYS 64 HA LYS 64 -11.694 6.854 0.226
197 1HB LYS 64 2HB LYS 64 -11.955 5.020 2.658
198 2HB LYS 64 1HB LYS 64 -12.308 6.743 2.723
199 1HG LYS 64 2HG LYS 64 -13.945 6.411 0.836
200 2HG LYS 64 1HG LYS 64 -13.668 4.677 0.962
201 1HD LYS 64 2HD LYS 64 -14.399 4.741 3.333
202 2HD LYS 64 1HD LYS 64 -14.695 6.470 3.189
203 1HE LYS 64 2HE LYS 64 -16.013 4.420 1.387
204 2HE LYS 64 1HE LYS 64 -16.747 4.989 2.880
205 1HZ LYS 64 3HZ LYS 64 -16.541 7.273 1.991
206 2HZ LYS 64 2HZ LYS 64 -16.029 6.616 0.511
207 3HZ LYS 64 1HZ LYS 64 -17.588 6.280 1.097
208 H SER 65 H SER 65 -9.038 5.019 0.802
209 HA SER 65 HA SER 65 -7.730 6.836 2.733
210 1HB SER 65 2HB SER 65 -7.368 4.243 2.550
211 2HB SER 65 1HB SER 65 -6.370 4.613 1.129
212 HG SER 65 HG SER 65 -6.116 5.851 3.672
213 H HIS 66 H HIS 66 -7.924 6.336 -0.705
214 HA HIS 66 HA HIS 66 -5.486 7.703 -1.399
215 1HB HIS 66 2HB HIS 66 -8.067 6.990 -2.846
216 2HB HIS 66 1HB HIS 66 -6.900 8.043 -3.638
217 HD1 HIS 66 HD1 HIS 66 -4.395 6.861 -3.420
218 HD2 HIS 66 HD2 HIS 66 -7.593 4.377 -3.424
219 HE1 HIS 66 HE1 HIS 66 -3.495 4.693 -4.019
220 H GLN 67 H GLN 67 -8.772 8.831 -2.052
221 HA GLN 67 HA GLN 67 -9.540 11.060 -2.285
222 1HB GLN 67 2HB GLN 67 -8.203 11.094 0.465
223 2HB GLN 67 1HB GLN 67 -9.434 12.230 -0.074
224 1HG GLN 67 2HG GLN 67 -10.987 10.288 -0.441
225 2HG GLN 67 1HG GLN 67 -9.764 9.229 0.255
226 1HE2 GLN 67 2HE2 GLN 67 -11.792 11.836 2.696
227 2HE2 GLN 67 1HE2 GLN 67 -11.764 12.106 1.021
228 H GLU 68 H GLU 68 -7.559 11.200 -3.887
229 HA GLU 68 HA GLU 68 -5.298 12.774 -3.068
230 1HB GLU 68 2HB GLU 68 -5.727 11.323 -5.258
231 2HB GLU 68 1HB GLU 68 -6.413 12.809 -5.906
232 1HG GLU 68 2HG GLU 68 -4.208 13.937 -5.099
233 2HG GLU 68 1HG GLU 68 -3.578 12.299 -4.965
234 H LYS 69 H LYS 69 -5.828 14.579 -5.545
235 HA LYS 69 HA LYS 69 -6.925 16.809 -3.940
236 1HB LYS 69 2HB LYS 69 -5.677 16.611 -6.723
237 2HB LYS 69 1HB LYS 69 -6.275 18.123 -6.049
238 1HG LYS 69 2HG LYS 69 -4.757 17.743 -4.063
239 2HG LYS 69 1HG LYS 69 -4.070 16.368 -4.922
240 1HD LYS 69 2HD LYS 69 -3.482 17.890 -6.817
241 2HD LYS 69 1HD LYS 69 -4.086 19.251 -5.878
242 1HE LYS 69 2HE LYS 69 -1.810 17.403 -5.089
243 2HE LYS 69 1HE LYS 69 -1.652 19.075 -5.610
244 1HZ LYS 69 1HZ LYS 69 -3.108 19.659 -3.679
245 2HZ LYS 69 3HZ LYS 69 -2.916 18.063 -3.134
246 3HZ LYS 69 2HZ LYS 69 -1.563 19.080 -3.277
247 H ALA 70 H ALA 70 -8.321 18.391 -5.319
248 HA ALA 70 HA ALA 70 -10.122 17.208 -7.254
249 1HB ALA 70 3HB ALA 70 -10.882 16.164 -5.051
250 2HB ALA 70 2HB ALA 70 -11.250 17.785 -4.470
251 3HB ALA 70 1HB ALA 70 -12.130 17.119 -5.842
No H/Q in entry = 251
Start of MODEL 26
1 1H ASP 39 2H ASP 39 -9.853 -14.920 -6.311
2 2H ASP 39 1H ASP 39 -11.348 -15.640 -6.673
3 3H ASP 39 3H ASP 39 -9.919 -16.272 -7.336
4 HA ASP 39 HA ASP 39 -9.663 -14.589 -8.839
5 1HB ASP 39 2HB ASP 39 -12.680 -14.843 -8.373
6 2HB ASP 39 1HB ASP 39 -11.945 -14.204 -9.840
7 H ARG 40 H ARG 40 -8.788 -13.054 -7.167
8 HA ARG 40 HA ARG 40 -9.723 -11.100 -5.657
9 1HB ARG 40 2HB ARG 40 -8.036 -10.663 -8.150
10 2HB ARG 40 1HB ARG 40 -8.270 -9.412 -6.936
11 1HG ARG 40 2HG ARG 40 -7.436 -11.083 -5.205
12 2HG ARG 40 1HG ARG 40 -6.989 -12.133 -6.545
13 1HD ARG 40 2HD ARG 40 -6.028 -9.266 -6.248
14 2HD ARG 40 1HD ARG 40 -5.097 -10.673 -5.737
15 HE ARG 40 HE ARG 40 -5.476 -9.790 -8.487
16 1HH1 ARG 40 HH2 ARG 40 -3.564 -11.591 -6.560
17 2HH1 ARG 40 HH2 ARG 40 -3.371 -12.944 -7.624
18 1HH2 ARG 40 HH1 ARG 40 -5.885 -11.843 -9.805
19 2HH2 ARG 40 HH1 ARG 40 -4.720 -13.090 -9.510
20 HA PRO 41 HA PRO 41 -13.181 -9.712 -8.366
21 1HB PRO 41 2HB PRO 41 -14.599 -8.821 -5.955
22 2HB PRO 41 1HB PRO 41 -15.023 -10.165 -7.021
23 1HG PRO 41 2HG PRO 41 -13.958 -10.351 -4.346
24 2HG PRO 41 1HG PRO 41 -14.252 -11.690 -5.464
25 1HD PRO 41 1HD PRO 41 -11.686 -10.471 -4.703
26 2HD PRO 41 2HD PRO 41 -11.960 -11.963 -5.621
27 H TYR 42 H TYR 42 -11.101 -8.234 -6.139
28 HA TYR 42 HA TYR 42 -11.723 -5.579 -7.194
29 1HB TYR 42 2HB TYR 42 -11.281 -6.517 -4.316
30 2HB TYR 42 1HB TYR 42 -10.905 -4.860 -4.780
31 HD1 TYR 42 HD1 TYR 42 -12.855 -3.743 -6.311
32 HD2 TYR 42 HD2 TYR 42 -13.437 -6.852 -3.467
33 HE1 TYR 42 HE1 TYR 42 -15.201 -3.089 -6.073
34 HE2 TYR 42 HE2 TYR 42 -15.780 -6.198 -3.236
35 HH TYR 42 HH TYR 42 -17.063 -3.332 -4.814
36 H SER 43 H SER 43 -9.919 -4.291 -6.256
37 HA SER 43 HA SER 43 -7.310 -4.842 -5.788
38 1HB SER 43 2HB SER 43 -8.035 -5.650 -8.628
39 2HB SER 43 1HB SER 43 -6.450 -4.889 -8.382
40 HG SER 43 HG SER 43 -6.436 -7.177 -8.013
41 H CYS 44 H CYS 44 -7.317 -2.717 -5.091
42 HA CYS 44 HA CYS 44 -8.261 -0.436 -6.320
43 1HB CYS 44 2HB CYS 44 -7.254 -0.010 -4.266
44 2HB CYS 44 1HB CYS 44 -5.904 -1.069 -4.592
45 H ASP 45 H ASP 45 -7.189 1.253 -7.533
46 HA ASP 45 HA ASP 45 -4.863 0.533 -9.175
47 1HB ASP 45 2HB ASP 45 -6.843 -0.569 -10.324
48 2HB ASP 45 1HB ASP 45 -7.592 1.018 -10.480
49 H HIS 46 H HIS 46 -5.658 2.651 -7.302
50 HA HIS 46 HA HIS 46 -6.103 5.022 -8.947
51 1HB HIS 46 2HB HIS 46 -7.057 5.155 -6.757
52 2HB HIS 46 1HB HIS 46 -5.650 4.419 -6.003
53 HD1 HIS 46 HD1 HIS 46 -6.866 7.649 -7.143
54 HD2 HIS 46 HD2 HIS 46 -3.505 6.156 -5.444
55 HE1 HIS 46 HE1 HIS 46 -5.630 9.601 -6.418
56 HA PRO 47 HA PRO 47 -1.854 5.801 -10.018
57 1HB PRO 47 2HB PRO 47 -2.027 8.694 -9.422
58 2HB PRO 47 1HB PRO 47 -1.942 7.905 -11.002
59 1HG PRO 47 2HG PRO 47 -4.285 9.085 -9.730
60 2HG PRO 47 1HG PRO 47 -4.192 8.328 -11.326
61 1HD PRO 47 1HD PRO 47 -5.478 7.256 -8.988
62 2HD PRO 47 2HD PRO 47 -5.240 6.433 -10.538
63 H GLY 48 H GLY 48 -0.029 5.612 -8.860
64 1HA GLY 48 2HA GLY 48 1.524 5.991 -7.100
65 2HA GLY 48 1HA GLY 48 0.366 7.085 -6.349
66 H CYS 49 H CYS 49 -0.893 4.045 -7.279
67 HA CYS 49 HA CYS 49 -0.200 2.568 -4.898
68 1HB CYS 49 2HB CYS 49 -1.713 4.365 -3.983
69 2HB CYS 49 1HB CYS 49 -2.979 3.802 -5.040
70 H ASP 50 H ASP 50 -1.320 0.548 -4.735
71 HA ASP 50 HA ASP 50 -3.278 -0.276 -6.684
72 1HB ASP 50 2HB ASP 50 -1.132 -0.047 -8.085
73 2HB ASP 50 1HB ASP 50 -0.445 -1.345 -7.114
74 H LYS 51 H LYS 51 -3.052 -0.509 -3.933
75 HA LYS 51 HA LYS 51 -1.997 -3.017 -3.066
76 1HB LYS 51 2HB LYS 51 -3.872 -0.927 -2.012
77 2HB LYS 51 1HB LYS 51 -4.081 -2.515 -1.290
78 1HG LYS 51 2HG LYS 51 -2.470 -1.292 0.052
79 2HG LYS 51 1HG LYS 51 -1.596 -2.544 -0.817
80 1HD LYS 51 2HD LYS 51 -1.103 -0.786 -2.607
81 2HD LYS 51 1HD LYS 51 -1.734 0.411 -1.480
82 1HE LYS 51 2HE LYS 51 0.605 -1.466 -1.014
83 2HE LYS 51 1HE LYS 51 0.687 0.280 -1.216
84 1HZ LYS 51 2HZ LYS 51 -0.806 -1.051 0.969
85 2HZ LYS 51 1HZ LYS 51 0.793 -0.498 1.118
86 3HZ LYS 51 3HZ LYS 51 -0.462 0.605 0.814
87 H ALA 52 H ALA 52 -2.603 -4.932 -3.797
88 HA ALA 52 HA ALA 52 -5.018 -5.469 -5.211
89 1HB ALA 52 3HB ALA 52 -3.093 -7.287 -3.683
90 2HB ALA 52 2HB ALA 52 -4.408 -7.906 -4.676
91 3HB ALA 52 1HB ALA 52 -3.107 -6.981 -5.418
92 H PHE 53 H PHE 53 -6.699 -7.006 -4.508
93 HA PHE 53 HA PHE 53 -7.202 -7.168 -1.608
94 1HB PHE 53 2HB PHE 53 -8.815 -5.405 -3.503
95 2HB PHE 53 1HB PHE 53 -9.512 -6.009 -1.999
96 HD1 PHE 53 HD1 PHE 53 -7.871 -5.704 0.125
97 HD2 PHE 53 HD2 PHE 53 -7.709 -3.337 -3.415
98 HE1 PHE 53 HE1 PHE 53 -6.656 -3.952 1.344
99 HE2 PHE 53 HE2 PHE 53 -6.506 -1.587 -2.182
100 HZ PHE 53 HZ PHE 53 -5.983 -1.897 0.196
101 H VAL 54 H VAL 54 -8.832 -8.593 -1.043
102 HA VAL 54 HA VAL 54 -9.816 -10.348 -3.285
103 HB VAL 54 HB VAL 54 -9.394 -11.056 -0.334
104 1HG1 VAL 54 2HG1 VAL 54 -9.819 -12.763 -2.812
105 2HG1 VAL 54 1HG1 VAL 54 -9.560 -13.377 -1.182
106 3HG1 VAL 54 3HG1 VAL 54 -11.020 -12.468 -1.560
107 1HG2 VAL 54 3HG2 VAL 54 -7.605 -11.440 -2.754
108 2HG2 VAL 54 2HG2 VAL 54 -7.226 -10.543 -1.287
109 3HG2 VAL 54 1HG2 VAL 54 -7.376 -12.297 -1.232
110 H ARG 55 H ARG 55 -10.653 -8.800 -0.212
111 HA ARG 55 HA ARG 55 -13.517 -9.579 -0.627
112 1HB ARG 55 2HB ARG 55 -11.948 -9.588 1.673
113 2HB ARG 55 1HB ARG 55 -12.709 -8.011 1.832
114 1HG ARG 55 2HG ARG 55 -14.941 -9.060 1.579
115 2HG ARG 55 1HG ARG 55 -14.185 -10.638 1.387
116 1HD ARG 55 2HD ARG 55 -13.063 -10.154 3.684
117 2HD ARG 55 1HD ARG 55 -14.285 -8.890 3.854
118 HE ARG 55 HE ARG 55 -15.088 -11.735 3.294
119 1HH1 ARG 55 HH2 ARG 55 -16.905 -9.275 3.728
120 2HH1 ARG 55 HH2 ARG 55 -17.472 -9.574 5.336
121 1HH2 ARG 55 HH1 ARG 55 -15.015 -11.991 5.966
122 2HH2 ARG 55 HH1 ARG 55 -16.374 -11.153 6.638
123 H ASN 56 H ASN 56 -14.940 -7.634 0.451
124 HA ASN 56 HA ASN 56 -14.504 -5.371 -1.420
125 1HB ASN 56 2HB ASN 56 -16.764 -6.527 -1.144
126 2HB ASN 56 1HB ASN 56 -16.829 -5.889 0.497
127 1HD2 ASN 56 HD2 ASN 56 -18.471 -3.536 -2.017
128 2HD2 ASN 56 HD2 ASN 56 -18.615 -5.213 -1.798
129 H HIS 57 H HIS 57 -15.613 -5.548 1.960
130 HA HIS 57 HA HIS 57 -15.311 -2.965 2.792
131 1HB HIS 57 2HB HIS 57 -14.097 -5.254 4.404
132 2HB HIS 57 1HB HIS 57 -14.907 -3.816 5.022
133 HD1 HIS 57 HD1 HIS 57 -15.653 -7.054 3.535
134 HD2 HIS 57 HD2 HIS 57 -17.734 -3.846 4.883
135 HE1 HIS 57 HE1 HIS 57 -17.949 -7.813 3.644
136 H ASP 58 H ASP 58 -12.605 -5.248 2.510
137 HA ASP 58 HA ASP 58 -10.568 -3.618 3.517
138 1HB ASP 58 2HB ASP 58 -10.563 -6.079 2.455
139 2HB ASP 58 1HB ASP 58 -10.107 -5.238 0.976
140 H LEU 59 H LEU 59 -11.835 -3.712 0.198
141 HA LEU 59 HA LEU 59 -10.082 -1.619 -0.766
142 1HB LEU 59 2HB LEU 59 -11.238 -3.201 -2.300
143 2HB LEU 59 1HB LEU 59 -12.810 -2.649 -1.740
144 HG LEU 59 HG LEU 59 -12.424 -0.431 -2.689
145 1HD1 LEU 59 HD1 LEU 59 -9.639 -1.530 -3.134
146 2HD1 LEU 59 HD1 LEU 59 -10.249 -0.232 -4.158
147 3HD1 LEU 59 HD1 LEU 59 -10.109 0.010 -2.422
148 1HD2 LEU 59 HD2 LEU 59 -11.688 -2.660 -4.601
149 2HD2 LEU 59 HD2 LEU 59 -13.317 -2.126 -4.200
150 3HD2 LEU 59 HD2 LEU 59 -12.235 -1.061 -5.091
151 H ILE 60 H ILE 60 -13.111 -1.642 0.968
152 HA ILE 60 HA ILE 60 -13.748 1.121 0.309
153 HB ILE 60 HB ILE 60 -14.718 -0.509 2.711
154 1HG1 ILE 60 2HG1 ILE 60 -15.705 -0.476 -0.166
155 2HG1 ILE 60 1HG1 ILE 60 -15.085 -1.857 0.726
156 1HG2 ILE 60 2HG2 ILE 60 -15.203 2.046 2.445
157 2HG2 ILE 60 1HG2 ILE 60 -16.179 1.608 1.048
158 3HG2 ILE 60 3HG2 ILE 60 -16.614 1.016 2.648
159 1HD1 ILE 60 HD1 ILE 60 -17.013 -1.386 2.408
160 2HD1 ILE 60 HD1 ILE 60 -17.698 -0.390 1.124
161 3HD1 ILE 60 HD1 ILE 60 -17.440 -2.111 0.861
162 H ARG 61 H ARG 61 -12.300 -0.529 3.092
163 HA ARG 61 HA ARG 61 -11.888 2.005 4.496
164 1HB ARG 61 2HB ARG 61 -10.977 -0.878 4.933
165 2HB ARG 61 1HB ARG 61 -10.371 0.423 5.951
166 1HG ARG 61 2HG ARG 61 -12.804 1.052 6.400
167 2HG ARG 61 1HG ARG 61 -13.256 -0.450 5.604
168 1HD ARG 61 2HD ARG 61 -11.949 -1.741 7.231
169 2HD ARG 61 1HD ARG 61 -11.377 -0.252 7.987
170 HE ARG 61 HE ARG 61 -14.312 -0.908 7.920
171 1HH1 ARG 61 HH1 ARG 61 -11.819 -1.611 9.908
172 2HH1 ARG 61 HH1 ARG 61 -12.361 -0.715 11.288
173 1HH2 ARG 61 HH2 ARG 61 -14.883 0.923 9.486
174 2HH2 ARG 61 HH2 ARG 61 -14.142 0.757 11.043
175 H HIS 62 H HIS 62 -10.491 0.650 1.844
176 HA HIS 62 HA HIS 62 -7.784 1.771 2.446
177 1HB HIS 62 2HB HIS 62 -7.571 -0.522 1.731
178 2HB HIS 62 1HB HIS 62 -8.760 -0.304 0.469
179 HD1 HIS 62 HD1 HIS 62 -5.257 0.198 1.112
180 HD2 HIS 62 HD2 HIS 62 -7.899 1.150 -1.829
181 HE1 HIS 62 HE1 HIS 62 -3.875 1.063 -0.677
182 H LYS 63 H LYS 63 -10.216 1.639 -0.160
183 HA LYS 63 HA LYS 63 -8.991 3.446 -1.942
184 1HB LYS 63 2HB LYS 63 -11.178 2.081 -2.216
185 2HB LYS 63 1HB LYS 63 -11.982 3.367 -1.335
186 1HG LYS 63 2HG LYS 63 -12.300 4.246 -3.461
187 2HG LYS 63 1HG LYS 63 -10.676 4.869 -3.223
188 1HD LYS 63 2HD LYS 63 -9.767 2.794 -4.306
189 2HD LYS 63 1HD LYS 63 -11.419 2.276 -4.626
190 1HE LYS 63 2HE LYS 63 -10.649 3.371 -6.625
191 2HE LYS 63 1HE LYS 63 -11.758 4.489 -5.840
192 1HZ LYS 63 3HZ LYS 63 -8.983 4.720 -5.048
193 2HZ LYS 63 2HZ LYS 63 -9.320 5.150 -6.657
194 3HZ LYS 63 1HZ LYS 63 -10.128 5.930 -5.382
195 H LYS 64 H LYS 64 -10.241 4.057 1.183
196 HA LYS 64 HA LYS 64 -11.169 6.691 0.997
197 1HB LYS 64 2HB LYS 64 -9.606 5.190 3.131
198 2HB LYS 64 1HB LYS 64 -10.002 6.886 3.382
199 1HG LYS 64 2HG LYS 64 -12.175 4.952 2.542
200 2HG LYS 64 1HG LYS 64 -11.678 5.020 4.228
201 1HD LYS 64 2HD LYS 64 -12.313 7.605 2.786
202 2HD LYS 64 1HD LYS 64 -13.636 6.599 3.355
203 1HE LYS 64 2HE LYS 64 -13.056 6.879 5.609
204 2HE LYS 64 1HE LYS 64 -11.376 7.253 5.242
205 1HZ LYS 64 1HZ LYS 64 -13.250 9.119 4.115
206 2HZ LYS 64 3HZ LYS 64 -13.281 9.066 5.812
207 3HZ LYS 64 2HZ LYS 64 -11.827 9.400 5.000
208 H SER 65 H SER 65 -7.829 5.547 1.138
209 HA SER 65 HA SER 65 -6.537 8.046 1.384
210 1HB SER 65 2HB SER 65 -5.462 5.681 1.346
211 2HB SER 65 1HB SER 65 -5.536 5.785 -0.424
212 HG SER 65 HG SER 65 -4.551 7.933 1.108
213 H HIS 66 H HIS 66 -8.164 6.604 -1.330
214 HA HIS 66 HA HIS 66 -7.166 8.762 -3.153
215 1HB HIS 66 2HB HIS 66 -8.972 6.404 -3.885
216 2HB HIS 66 1HB HIS 66 -7.959 7.359 -4.963
217 HD1 HIS 66 HD1 HIS 66 -5.362 7.186 -3.559
218 HD2 HIS 66 HD2 HIS 66 -7.778 3.952 -3.869
219 HE1 HIS 66 HE1 HIS 66 -3.888 5.278 -3.317
220 H GLN 67 H GLN 67 -9.004 9.402 -1.049
221 HA GLN 67 HA GLN 67 -11.709 9.453 -1.561
222 1HB GLN 67 2HB GLN 67 -11.616 11.899 -0.665
223 2HB GLN 67 1HB GLN 67 -10.898 10.663 0.361
224 1HG GLN 67 2HG GLN 67 -8.680 11.244 -0.315
225 2HG GLN 67 1HG GLN 67 -9.266 12.210 -1.667
226 1HE2 GLN 67 2HE2 GLN 67 -10.579 14.112 1.613
227 2HE2 GLN 67 1HE2 GLN 67 -11.273 12.675 1.034
228 H GLU 68 H GLU 68 -9.258 10.886 -3.518
229 HA GLU 68 HA GLU 68 -11.122 12.652 -4.960
230 1HB GLU 68 2HB GLU 68 -8.195 11.858 -5.299
231 2HB GLU 68 1HB GLU 68 -9.016 12.839 -6.507
232 1HG GLU 68 2HG GLU 68 -9.485 14.571 -4.891
233 2HG GLU 68 1HG GLU 68 -8.943 13.554 -3.559
234 H LYS 69 H LYS 69 -12.489 11.869 -6.408
235 HA LYS 69 HA LYS 69 -13.407 10.543 -8.100
236 1HB LYS 69 2HB LYS 69 -11.155 11.378 -9.152
237 2HB LYS 69 1HB LYS 69 -10.539 9.767 -8.802
238 1HG LYS 69 2HG LYS 69 -12.636 8.887 -10.029
239 2HG LYS 69 1HG LYS 69 -12.835 10.532 -10.620
240 1HD LYS 69 2HD LYS 69 -10.325 8.853 -10.969
241 2HD LYS 69 1HD LYS 69 -11.540 9.111 -12.214
242 1HE LYS 69 2HE LYS 69 -11.132 11.644 -11.810
243 2HE LYS 69 1HE LYS 69 -9.670 11.137 -10.973
244 1HZ LYS 69 1HZ LYS 69 -9.929 9.808 -13.465
245 2HZ LYS 69 3HZ LYS 69 -9.988 11.493 -13.674
246 3HZ LYS 69 2HZ LYS 69 -8.661 10.781 -12.889
247 H ALA 70 H ALA 70 -14.414 8.713 -7.642
248 HA ALA 70 HA ALA 70 -13.179 6.666 -5.987
249 1HB ALA 70 3HB ALA 70 -15.820 6.838 -7.515
250 2HB ALA 70 2HB ALA 70 -15.386 5.444 -6.532
251 3HB ALA 70 1HB ALA 70 -15.582 7.026 -5.782
No H/Q in entry = 251
Start of MODEL 27
1 1H ASP 39 3H ASP 39 -9.246 -13.593 -9.969
2 2H ASP 39 2H ASP 39 -10.380 -14.642 -10.676
3 3H ASP 39 1H ASP 39 -10.587 -12.961 -10.798
4 HA ASP 39 HA ASP 39 -12.089 -13.586 -9.169
5 1HB ASP 39 2HB ASP 39 -11.148 -14.979 -7.159
6 2HB ASP 39 1HB ASP 39 -11.413 -15.849 -8.668
7 H ARG 40 H ARG 40 -11.143 -11.259 -9.384
8 HA ARG 40 HA ARG 40 -10.201 -10.480 -6.642
9 1HB ARG 40 2HB ARG 40 -9.062 -9.614 -9.346
10 2HB ARG 40 1HB ARG 40 -8.791 -8.685 -7.876
11 1HG ARG 40 2HG ARG 40 -7.624 -10.498 -6.829
12 2HG ARG 40 1HG ARG 40 -8.157 -11.641 -8.054
13 1HD ARG 40 2HD ARG 40 -6.863 -10.368 -9.771
14 2HD ARG 40 1HD ARG 40 -6.273 -9.299 -8.499
15 HE ARG 40 HE ARG 40 -4.681 -10.967 -8.047
16 1HH1 ARG 40 HH1 ARG 40 -6.617 -12.790 -6.799
17 2HH1 ARG 40 HH1 ARG 40 -6.512 -14.216 -7.776
18 1HH2 ARG 40 HH2 ARG 40 -4.928 -12.536 -10.412
19 2HH2 ARG 40 HH2 ARG 40 -5.530 -14.069 -9.876
20 HA PRO 41 HA PRO 41 -13.947 -8.171 -8.317
21 1HB PRO 41 2HB PRO 41 -14.917 -8.425 -5.519
22 2HB PRO 41 1HB PRO 41 -15.715 -8.941 -7.011
23 1HG PRO 41 2HG PRO 41 -14.493 -10.658 -5.091
24 2HG PRO 41 1HG PRO 41 -14.995 -11.127 -6.722
25 1HD PRO 41 1HD PRO 41 -12.267 -10.721 -5.693
26 2HD PRO 41 2HD PRO 41 -12.767 -11.424 -7.241
27 H TYR 42 H TYR 42 -11.424 -7.729 -6.249
28 HA TYR 42 HA TYR 42 -11.947 -4.853 -6.053
29 1HB TYR 42 2HB TYR 42 -11.441 -6.660 -3.626
30 2HB TYR 42 1HB TYR 42 -11.358 -4.903 -3.588
31 HD1 TYR 42 HD2 TYR 42 -13.448 -3.586 -4.313
32 HD2 TYR 42 HD1 TYR 42 -13.557 -7.737 -3.452
33 HE1 TYR 42 HE2 TYR 42 -15.877 -3.462 -4.048
34 HE2 TYR 42 HE1 TYR 42 -15.987 -7.623 -3.184
35 HH TYR 42 HH TYR 42 -17.803 -4.822 -4.073
36 H SER 43 H SER 43 -10.246 -4.332 -7.188
37 HA SER 43 HA SER 43 -7.551 -4.930 -6.041
38 1HB SER 43 2HB SER 43 -8.090 -6.455 -8.060
39 2HB SER 43 1HB SER 43 -8.148 -4.984 -9.052
40 HG SER 43 HG SER 43 -6.031 -5.791 -8.999
41 H CYS 44 H CYS 44 -7.747 -2.740 -5.230
42 HA CYS 44 HA CYS 44 -8.308 -0.405 -6.558
43 1HB CYS 44 2HB CYS 44 -7.554 0.040 -4.415
44 2HB CYS 44 1HB CYS 44 -6.352 -1.221 -4.470
45 H ASP 45 H ASP 45 -7.129 1.120 -7.752
46 HA ASP 45 HA ASP 45 -4.551 0.435 -8.936
47 1HB ASP 45 2HB ASP 45 -7.154 0.322 -10.538
48 2HB ASP 45 1HB ASP 45 -5.589 0.550 -11.314
49 H HIS 46 H HIS 46 -5.606 2.576 -7.398
50 HA HIS 46 HA HIS 46 -6.084 4.811 -9.219
51 1HB HIS 46 2HB HIS 46 -7.261 5.081 -7.179
52 2HB HIS 46 1HB HIS 46 -5.991 4.323 -6.232
53 HD1 HIS 46 HD1 HIS 46 -7.075 7.565 -7.367
54 HD2 HIS 46 HD2 HIS 46 -3.815 6.021 -5.535
55 HE1 HIS 46 HE1 HIS 46 -5.910 9.485 -6.472
56 HA PRO 47 HA PRO 47 -1.860 5.932 -9.926
57 1HB PRO 47 2HB PRO 47 -2.242 8.803 -9.382
58 2HB PRO 47 1HB PRO 47 -2.062 8.007 -10.949
59 1HG PRO 47 2HG PRO 47 -4.517 9.037 -9.721
60 2HG PRO 47 1HG PRO 47 -4.313 8.363 -11.345
61 1HD PRO 47 1HD PRO 47 -5.651 7.107 -9.149
62 2HD PRO 47 2HD PRO 47 -5.228 6.349 -10.694
63 H GLY 48 H GLY 48 -0.186 5.723 -8.591
64 1HA GLY 48 2HA GLY 48 1.251 6.305 -6.766
65 2HA GLY 48 1HA GLY 48 -0.047 7.269 -6.071
66 H CYS 49 H CYS 49 -0.807 4.058 -7.122
67 HA CYS 49 HA CYS 49 -0.165 2.738 -4.625
68 1HB CYS 49 2HB CYS 49 -2.076 4.312 -4.036
69 2HB CYS 49 1HB CYS 49 -3.082 3.421 -5.145
70 H ASP 50 H ASP 50 -0.455 0.556 -4.727
71 HA ASP 50 HA ASP 50 -2.029 -0.601 -6.986
72 1HB ASP 50 2HB ASP 50 -0.010 -2.101 -7.490
73 2HB ASP 50 1HB ASP 50 0.251 -0.406 -7.895
74 H LYS 51 H LYS 51 -2.526 -0.557 -4.197
75 HA LYS 51 HA LYS 51 -1.726 -3.136 -3.076
76 1HB LYS 51 2HB LYS 51 -3.026 -0.658 -2.181
77 2HB LYS 51 1HB LYS 51 -3.969 -2.026 -1.620
78 1HG LYS 51 2HG LYS 51 -0.962 -1.925 -1.244
79 2HG LYS 51 1HG LYS 51 -2.059 -1.191 -0.083
80 1HD LYS 51 2HD LYS 51 -3.174 -3.320 0.300
81 2HD LYS 51 1HD LYS 51 -2.239 -4.083 -0.982
82 1HE LYS 51 2HE LYS 51 -1.009 -2.831 1.492
83 2HE LYS 51 1HE LYS 51 -1.353 -4.548 1.332
84 1HZ LYS 51 2HZ LYS 51 0.009 -4.178 -0.884
85 2HZ LYS 51 1HZ LYS 51 0.701 -2.935 0.043
86 3HZ LYS 51 3HZ LYS 51 0.762 -4.541 0.593
87 H ALA 52 H ALA 52 -2.539 -4.896 -4.059
88 HA ALA 52 HA ALA 52 -5.189 -4.942 -5.267
89 1HB ALA 52 1HB ALA 52 -3.063 -7.052 -4.683
90 2HB ALA 52 3HB ALA 52 -4.614 -7.485 -5.392
91 3HB ALA 52 2HB ALA 52 -3.528 -6.397 -6.248
92 H PHE 53 H PHE 53 -6.815 -6.565 -4.663
93 HA PHE 53 HA PHE 53 -6.822 -7.378 -1.808
94 1HB PHE 53 2HB PHE 53 -8.694 -5.331 -3.064
95 2HB PHE 53 1HB PHE 53 -9.215 -6.267 -1.671
96 HD1 PHE 53 HD2 PHE 53 -7.502 -6.298 0.353
97 HD2 PHE 53 HD1 PHE 53 -7.471 -3.359 -2.731
98 HE1 PHE 53 HE2 PHE 53 -6.261 -4.765 1.815
99 HE2 PHE 53 HE1 PHE 53 -6.254 -1.832 -1.260
100 HZ PHE 53 HZ PHE 53 -5.638 -2.530 1.011
101 H VAL 54 H VAL 54 -9.355 -8.113 -1.473
102 HA VAL 54 HA VAL 54 -10.224 -9.761 -3.794
103 HB VAL 54 HB VAL 54 -8.525 -11.048 -2.329
104 1HG1 VAL 54 1HG1 VAL 54 -9.439 -10.042 -0.163
105 2HG1 VAL 54 3HG1 VAL 54 -10.783 -11.168 -0.320
106 3HG1 VAL 54 2HG1 VAL 54 -9.142 -11.775 -0.135
107 1HG2 VAL 54 2HG2 VAL 54 -10.175 -12.201 -3.769
108 2HG2 VAL 54 1HG2 VAL 54 -9.892 -13.108 -2.287
109 3HG2 VAL 54 3HG2 VAL 54 -11.351 -12.138 -2.461
110 H ARG 55 H ARG 55 -10.671 -8.777 -0.456
111 HA ARG 55 HA ARG 55 -13.575 -9.343 -0.549
112 1HB ARG 55 2HB ARG 55 -11.823 -9.534 1.497
113 2HB ARG 55 1HB ARG 55 -12.203 -7.833 1.713
114 1HG ARG 55 2HG ARG 55 -13.819 -8.881 3.070
115 2HG ARG 55 1HG ARG 55 -14.705 -8.622 1.576
116 1HD ARG 55 2HD ARG 55 -15.187 -10.879 1.854
117 2HD ARG 55 1HD ARG 55 -13.642 -11.076 1.029
118 HE ARG 55 HE ARG 55 -14.164 -11.824 3.743
119 1HH1 ARG 55 HH2 ARG 55 -12.428 -9.682 4.507
120 2HH1 ARG 55 HH2 ARG 55 -10.828 -10.309 4.293
121 1HH2 ARG 55 HH1 ARG 55 -11.917 -12.931 2.233
122 2HH2 ARG 55 HH1 ARG 55 -10.530 -12.200 2.971
123 H ASN 56 H ASN 56 -15.085 -7.590 0.178
124 HA ASN 56 HA ASN 56 -14.619 -5.196 -1.456
125 1HB ASN 56 2HB ASN 56 -16.856 -6.415 -1.267
126 2HB ASN 56 1HB ASN 56 -16.964 -5.850 0.397
127 1HD2 ASN 56 HD2 ASN 56 -18.773 -3.211 -1.257
128 2HD2 ASN 56 HD2 ASN 56 -18.987 -4.741 -0.555
129 H HIS 57 H HIS 57 -15.569 -5.681 1.960
130 HA HIS 57 HA HIS 57 -15.381 -3.076 2.865
131 1HB HIS 57 2HB HIS 57 -15.732 -4.198 4.868
132 2HB HIS 57 1HB HIS 57 -15.401 -5.713 4.045
133 HD1 HIS 57 HD1 HIS 57 -13.000 -6.583 4.348
134 HD2 HIS 57 HD2 HIS 57 -13.667 -3.218 6.509
135 HE1 HIS 57 HE1 HIS 57 -11.140 -6.469 5.895
136 H ASP 58 H ASP 58 -12.639 -5.276 2.334
137 HA ASP 58 HA ASP 58 -10.612 -3.642 3.414
138 1HB ASP 58 2HB ASP 58 -10.556 -5.411 0.916
139 2HB ASP 58 1HB ASP 58 -9.119 -4.777 1.712
140 H LEU 59 H LEU 59 -11.801 -3.729 0.055
141 HA LEU 59 HA LEU 59 -10.227 -1.542 -0.867
142 1HB LEU 59 2HB LEU 59 -11.985 -3.317 -2.026
143 2HB LEU 59 1HB LEU 59 -13.014 -1.898 -1.999
144 HG LEU 59 HG LEU 59 -11.818 -1.941 -4.123
145 1HD1 LEU 59 HD1 LEU 59 -12.102 0.245 -2.798
146 2HD1 LEU 59 HD1 LEU 59 -10.386 0.130 -2.445
147 3HD1 LEU 59 HD1 LEU 59 -10.932 0.261 -4.110
148 1HD2 LEU 59 HD2 LEU 59 -9.809 -3.285 -2.885
149 2HD2 LEU 59 HD2 LEU 59 -9.559 -2.424 -4.396
150 3HD2 LEU 59 HD2 LEU 59 -9.091 -1.681 -2.875
151 H ILE 60 H ILE 60 -13.230 -1.649 0.916
152 HA ILE 60 HA ILE 60 -13.900 1.126 0.437
153 HB ILE 60 HB ILE 60 -14.746 -0.808 2.652
154 1HG1 ILE 60 2HG1 ILE 60 -16.318 0.103 0.213
155 2HG1 ILE 60 1HG1 ILE 60 -15.313 -1.341 0.199
156 1HG2 ILE 60 3HG2 ILE 60 -15.695 1.984 1.828
157 2HG2 ILE 60 2HG2 ILE 60 -16.732 0.895 2.741
158 3HG2 ILE 60 1HG2 ILE 60 -15.209 1.444 3.432
159 1HD1 ILE 60 HD1 ILE 60 -17.004 -1.412 2.584
160 2HD1 ILE 60 HD1 ILE 60 -18.015 -1.119 1.172
161 3HD1 ILE 60 HD1 ILE 60 -16.979 -2.542 1.233
162 H ARG 61 H ARG 61 -12.388 -0.606 3.120
163 HA ARG 61 HA ARG 61 -11.900 1.878 4.583
164 1HB ARG 61 2HB ARG 61 -10.906 -0.996 4.918
165 2HB ARG 61 1HB ARG 61 -10.500 0.297 6.041
166 1HG ARG 61 2HG ARG 61 -13.117 0.664 6.150
167 2HG ARG 61 1HG ARG 61 -13.196 -0.970 5.504
168 1HD ARG 61 2HD ARG 61 -11.771 -0.124 8.056
169 2HD ARG 61 1HD ARG 61 -13.272 -1.044 7.961
170 HE ARG 61 HE ARG 61 -12.006 -2.974 7.397
171 1HH1 ARG 61 HH2 ARG 61 -10.027 -0.625 8.578
172 2HH1 ARG 61 HH2 ARG 61 -8.571 -1.158 7.806
173 1HH2 ARG 61 HH1 ARG 61 -10.254 -3.468 5.777
174 2HH2 ARG 61 HH1 ARG 61 -8.703 -2.810 6.179
175 H HIS 62 H HIS 62 -10.488 0.387 1.943
176 HA HIS 62 HA HIS 62 -7.778 1.479 2.541
177 1HB HIS 62 2HB HIS 62 -7.664 -0.807 1.767
178 2HB HIS 62 1HB HIS 62 -8.816 -0.492 0.493
179 HD1 HIS 62 HD1 HIS 62 -5.320 -0.193 1.207
180 HD2 HIS 62 HD2 HIS 62 -7.852 1.018 -1.731
181 HE1 HIS 62 HE1 HIS 62 -3.868 0.683 -0.511
182 H LYS 63 H LYS 63 -10.364 1.642 0.126
183 HA LYS 63 HA LYS 63 -9.040 3.400 -1.694
184 1HB LYS 63 2HB LYS 63 -11.080 2.339 -2.405
185 2HB LYS 63 1HB LYS 63 -11.967 2.870 -0.991
186 1HG LYS 63 2HG LYS 63 -12.138 5.099 -1.793
187 2HG LYS 63 1HG LYS 63 -10.834 4.874 -2.954
188 1HD LYS 63 2HD LYS 63 -12.202 3.493 -4.361
189 2HD LYS 63 1HD LYS 63 -13.434 3.324 -3.117
190 1HE LYS 63 2HE LYS 63 -13.823 5.807 -3.251
191 2HE LYS 63 1HE LYS 63 -12.699 5.868 -4.601
192 1HZ LYS 63 1HZ LYS 63 -14.573 3.840 -5.079
193 2HZ LYS 63 3HZ LYS 63 -15.413 5.253 -4.650
194 3HZ LYS 63 2HZ LYS 63 -14.319 5.276 -5.951
195 H LYS 64 H LYS 64 -9.644 3.979 1.490
196 HA LYS 64 HA LYS 64 -10.771 6.575 1.562
197 1HB LYS 64 2HB LYS 64 -8.599 5.305 3.305
198 2HB LYS 64 1HB LYS 64 -9.417 6.809 3.706
199 1HG LYS 64 2HG LYS 64 -11.601 5.634 3.692
200 2HG LYS 64 1HG LYS 64 -10.789 4.132 3.269
201 1HD LYS 64 2HD LYS 64 -10.927 3.881 5.593
202 2HD LYS 64 1HD LYS 64 -9.350 4.646 5.461
203 1HE LYS 64 2HE LYS 64 -10.666 6.891 5.673
204 2HE LYS 64 1HE LYS 64 -11.986 5.892 6.265
205 1HZ LYS 64 1HZ LYS 64 -10.108 4.938 7.782
206 2HZ LYS 64 3HZ LYS 64 -9.383 6.445 7.480
207 3HZ LYS 64 2HZ LYS 64 -10.921 6.371 8.196
208 H SER 65 H SER 65 -7.773 5.494 0.318
209 HA SER 65 HA SER 65 -6.488 8.162 0.501
210 1HB SER 65 2HB SER 65 -4.619 6.942 -0.759
211 2HB SER 65 1HB SER 65 -5.070 6.119 0.747
212 HG SER 65 HG SER 65 -5.741 4.514 -0.415
213 H HIS 66 H HIS 66 -8.611 6.554 -1.557
214 HA HIS 66 HA HIS 66 -8.017 8.487 -3.773
215 1HB HIS 66 2HB HIS 66 -9.232 5.772 -4.415
216 2HB HIS 66 1HB HIS 66 -8.176 6.780 -5.399
217 HD1 HIS 66 HD1 HIS 66 -5.751 6.946 -3.830
218 HD2 HIS 66 HD2 HIS 66 -7.887 3.506 -3.811
219 HE1 HIS 66 HE1 HIS 66 -4.128 5.209 -3.359
220 H GLN 67 H GLN 67 -9.815 9.229 -1.910
221 HA GLN 67 HA GLN 67 -12.469 8.272 -2.364
222 1HB GLN 67 2HB GLN 67 -11.620 9.609 -0.348
223 2HB GLN 67 1HB GLN 67 -11.612 11.039 -1.363
224 1HG GLN 67 2HG GLN 67 -13.736 11.088 -0.262
225 2HG GLN 67 1HG GLN 67 -14.097 10.462 -1.868
226 1HE2 GLN 67 2HE2 GLN 67 -15.698 7.743 -0.311
227 2HE2 GLN 67 1HE2 GLN 67 -15.827 9.058 -1.377
228 H GLU 68 H GLU 68 -12.531 11.602 -2.678
229 HA GLU 68 HA GLU 68 -12.147 12.464 -5.218
230 1HB GLU 68 2HB GLU 68 -14.338 10.356 -5.226
231 2HB GLU 68 1HB GLU 68 -14.698 11.799 -6.153
232 1HG GLU 68 2HG GLU 68 -13.090 11.371 -7.766
233 2HG GLU 68 1HG GLU 68 -11.962 10.652 -6.628
234 H LYS 69 H LYS 69 -14.329 13.745 -6.103
235 HA LYS 69 HA LYS 69 -15.303 15.271 -3.690
236 1HB LYS 69 2HB LYS 69 -13.741 16.448 -5.377
237 2HB LYS 69 1HB LYS 69 -15.032 16.288 -6.562
238 1HG LYS 69 2HG LYS 69 -16.561 17.459 -4.896
239 2HG LYS 69 1HG LYS 69 -15.130 17.798 -3.933
240 1HD LYS 69 2HD LYS 69 -14.132 19.070 -5.741
241 2HD LYS 69 1HD LYS 69 -15.405 18.582 -6.853
242 1HE LYS 69 2HE LYS 69 -17.061 19.711 -5.286
243 2HE LYS 69 1HE LYS 69 -15.680 20.368 -4.417
244 1HZ LYS 69 1HZ LYS 69 -15.236 20.878 -7.098
245 2HZ LYS 69 3HZ LYS 69 -16.864 21.272 -6.811
246 3HZ LYS 69 2HZ LYS 69 -15.638 21.996 -5.885
247 H ALA 70 H ALA 70 -16.929 13.370 -3.909
248 HA ALA 70 HA ALA 70 -18.814 13.055 -5.909
249 1HB ALA 70 2HB ALA 70 -19.349 13.238 -2.900
250 2HB ALA 70 1HB ALA 70 -20.433 12.490 -4.070
251 3HB ALA 70 3HB ALA 70 -18.847 11.788 -3.762
No H/Q in entry = 251
Start of MODEL 28
1 1H ASP 39 2H ASP 39 -14.557 -15.019 -6.066
2 2H ASP 39 1H ASP 39 -14.382 -16.257 -7.216
3 3H ASP 39 3H ASP 39 -13.660 -16.409 -5.687
4 HA ASP 39 HA ASP 39 -11.919 -15.854 -7.106
5 1HB ASP 39 2HB ASP 39 -13.551 -15.018 -8.935
6 2HB ASP 39 1HB ASP 39 -13.574 -13.476 -8.080
7 H ARG 40 H ARG 40 -10.459 -13.905 -6.956
8 HA ARG 40 HA ARG 40 -11.149 -12.115 -4.646
9 1HB ARG 40 2HB ARG 40 -8.703 -13.929 -4.969
10 2HB ARG 40 1HB ARG 40 -8.737 -12.590 -3.834
11 1HG ARG 40 2HG ARG 40 -10.468 -13.583 -2.536
12 2HG ARG 40 1HG ARG 40 -10.903 -14.698 -3.813
13 1HD ARG 40 2HD ARG 40 -9.347 -15.449 -1.718
14 2HD ARG 40 1HD ARG 40 -9.187 -16.176 -3.318
15 HE ARG 40 HE ARG 40 -7.531 -13.774 -2.869
16 1HH1 ARG 40 HH2 ARG 40 -6.855 -15.828 -4.871
17 2HH1 ARG 40 HH2 ARG 40 -5.603 -16.740 -4.097
18 1HH2 ARG 40 HH1 ARG 40 -6.387 -15.494 -0.915
19 2HH2 ARG 40 HH1 ARG 40 -5.331 -16.545 -1.797
20 HA PRO 41 HA PRO 41 -8.893 -9.859 -7.959
21 1HB PRO 41 2HB PRO 41 -10.983 -8.200 -8.780
22 2HB PRO 41 1HB PRO 41 -10.716 -9.815 -9.438
23 1HG PRO 41 2HG PRO 41 -12.839 -8.907 -7.544
24 2HG PRO 41 1HG PRO 41 -12.833 -10.319 -8.610
25 1HD PRO 41 1HD PRO 41 -12.234 -10.255 -5.754
26 2HD PRO 41 2HD PRO 41 -12.191 -11.655 -6.834
27 H TYR 42 H TYR 42 -11.363 -7.596 -7.103
28 HA TYR 42 HA TYR 42 -11.132 -5.386 -6.361
29 1HB TYR 42 2HB TYR 42 -10.322 -7.139 -3.979
30 2HB TYR 42 1HB TYR 42 -10.699 -5.421 -3.858
31 HD1 TYR 42 HD1 TYR 42 -12.950 -4.605 -4.746
32 HD2 TYR 42 HD2 TYR 42 -12.120 -8.705 -3.993
33 HE1 TYR 42 HE1 TYR 42 -15.350 -5.072 -4.679
34 HE2 TYR 42 HE2 TYR 42 -14.524 -9.174 -3.922
35 HH TYR 42 HH TYR 42 -16.904 -6.735 -4.761
36 H SER 43 H SER 43 -9.369 -4.993 -7.828
37 HA SER 43 HA SER 43 -6.761 -4.558 -6.401
38 1HB SER 43 2HB SER 43 -7.403 -5.021 -9.357
39 2HB SER 43 1HB SER 43 -5.798 -4.566 -8.758
40 HG SER 43 HG SER 43 -7.122 -6.955 -8.580
41 H CYS 44 H CYS 44 -7.756 -2.591 -5.595
42 HA CYS 44 HA CYS 44 -8.806 -0.481 -7.030
43 1HB CYS 44 2HB CYS 44 -8.475 -0.350 -4.636
44 2HB CYS 44 1HB CYS 44 -6.749 -0.526 -4.804
45 H ASP 45 H ASP 45 -8.148 0.751 -8.678
46 HA ASP 45 HA ASP 45 -5.206 0.811 -9.351
47 1HB ASP 45 2HB ASP 45 -7.541 1.316 -11.258
48 2HB ASP 45 1HB ASP 45 -5.866 0.970 -11.681
49 H HIS 46 H HIS 46 -5.627 2.642 -7.572
50 HA HIS 46 HA HIS 46 -6.604 5.139 -8.804
51 1HB HIS 46 2HB HIS 46 -7.187 4.861 -6.475
52 2HB HIS 46 1HB HIS 46 -5.579 4.289 -6.060
53 HD1 HIS 46 HD1 HIS 46 -7.367 7.404 -6.736
54 HD2 HIS 46 HD2 HIS 46 -3.684 6.250 -5.516
55 HE1 HIS 46 HE1 HIS 46 -6.308 9.446 -5.979
56 HA PRO 47 HA PRO 47 -2.640 6.360 -10.410
57 1HB PRO 47 2HB PRO 47 -2.898 9.114 -9.314
58 2HB PRO 47 1HB PRO 47 -2.910 8.593 -11.005
59 1HG PRO 47 2HG PRO 47 -5.192 9.392 -9.408
60 2HG PRO 47 1HG PRO 47 -5.215 8.792 -11.073
61 1HD PRO 47 1HD PRO 47 -6.132 7.404 -8.716
62 2HD PRO 47 2HD PRO 47 -6.064 6.767 -10.364
63 H GLY 48 H GLY 48 -1.075 5.383 -9.251
64 1HA GLY 48 2HA GLY 48 0.838 5.541 -7.798
65 2HA GLY 48 1HA GLY 48 0.035 6.829 -6.904
66 H CYS 49 H CYS 49 -0.677 3.423 -7.719
67 HA CYS 49 HA CYS 49 -0.671 2.673 -4.897
68 1HB CYS 49 2HB CYS 49 -2.841 3.557 -4.789
69 2HB CYS 49 1HB CYS 49 -3.200 3.157 -6.442
70 H ASP 50 H ASP 50 -1.192 0.420 -4.576
71 HA ASP 50 HA ASP 50 -1.612 -1.385 -6.769
72 1HB ASP 50 2HB ASP 50 0.694 -0.691 -7.383
73 2HB ASP 50 1HB ASP 50 1.258 -1.039 -5.752
74 H LYS 51 H LYS 51 -3.045 -1.748 -4.800
75 HA LYS 51 HA LYS 51 -1.762 -3.836 -3.059
76 1HB LYS 51 2HB LYS 51 -3.744 -1.654 -2.251
77 2HB LYS 51 1HB LYS 51 -3.314 -3.009 -1.216
78 1HG LYS 51 2HG LYS 51 -0.796 -1.968 -2.024
79 2HG LYS 51 1HG LYS 51 -1.777 -0.528 -1.787
80 1HD LYS 51 2HD LYS 51 -1.549 -2.747 0.280
81 2HD LYS 51 1HD LYS 51 -0.536 -1.308 0.282
82 1HE LYS 51 2HE LYS 51 -2.508 0.126 0.474
83 2HE LYS 51 1HE LYS 51 -3.567 -1.272 0.358
84 1HZ LYS 51 3HZ LYS 51 -1.906 -1.928 2.387
85 2HZ LYS 51 2HZ LYS 51 -2.118 -0.258 2.614
86 3HZ LYS 51 1HZ LYS 51 -3.469 -1.286 2.561
87 H ALA 52 H ALA 52 -2.611 -5.574 -4.156
88 HA ALA 52 HA ALA 52 -5.321 -5.763 -5.078
89 1HB ALA 52 2HB ALA 52 -3.319 -7.244 -5.740
90 2HB ALA 52 1HB ALA 52 -3.547 -8.083 -4.209
91 3HB ALA 52 3HB ALA 52 -4.818 -8.114 -5.427
92 H PHE 53 H PHE 53 -7.045 -7.122 -4.246
93 HA PHE 53 HA PHE 53 -6.848 -7.677 -1.295
94 1HB PHE 53 2HB PHE 53 -8.803 -5.867 -2.730
95 2HB PHE 53 1HB PHE 53 -9.265 -6.615 -1.225
96 HD1 PHE 53 HD1 PHE 53 -7.684 -6.239 0.800
97 HD2 PHE 53 HD2 PHE 53 -7.447 -3.929 -2.775
98 HE1 PHE 53 HE1 PHE 53 -6.430 -4.496 1.998
99 HE2 PHE 53 HE2 PHE 53 -6.199 -2.197 -1.570
100 HZ PHE 53 HZ PHE 53 -5.693 -2.474 0.812
101 H VAL 54 H VAL 54 -9.491 -8.369 -0.870
102 HA VAL 54 HA VAL 54 -10.070 -10.530 -2.884
103 HB VAL 54 HB VAL 54 -10.511 -12.030 -0.797
104 1HG1 VAL 54 3HG1 VAL 54 -7.942 -11.310 -2.054
105 2HG1 VAL 54 2HG1 VAL 54 -7.682 -11.828 -0.393
106 3HG1 VAL 54 1HG1 VAL 54 -8.496 -12.891 -1.527
107 1HG2 VAL 54 3HG2 VAL 54 -8.945 -9.804 0.568
108 2HG2 VAL 54 2HG2 VAL 54 -10.615 -10.242 0.892
109 3HG2 VAL 54 1HG2 VAL 54 -9.323 -11.360 1.293
110 H ARG 55 H ARG 55 -11.189 -8.626 -0.104
111 HA ARG 55 HA ARG 55 -14.031 -9.173 -0.953
112 1HB ARG 55 2HB ARG 55 -12.770 -8.436 1.734
113 2HB ARG 55 1HB ARG 55 -14.500 -8.281 1.454
114 1HG ARG 55 2HG ARG 55 -14.507 -10.716 0.732
115 2HG ARG 55 1HG ARG 55 -12.842 -10.817 1.286
116 1HD ARG 55 2HD ARG 55 -15.239 -10.043 2.983
117 2HD ARG 55 1HD ARG 55 -14.358 -11.566 3.073
118 HE ARG 55 HE ARG 55 -13.461 -8.988 4.156
119 1HH1 ARG 55 HH2 ARG 55 -12.471 -11.930 2.721
120 2HH1 ARG 55 HH2 ARG 55 -11.080 -12.137 3.733
121 1HH2 ARG 55 HH1 ARG 55 -11.785 -9.276 5.632
122 2HH2 ARG 55 HH1 ARG 55 -10.681 -10.593 5.423
123 H ASN 56 H ASN 56 -15.482 -7.253 -0.197
124 HA ASN 56 HA ASN 56 -14.563 -4.937 -1.714
125 1HB ASN 56 2HB ASN 56 -16.949 -5.714 -1.725
126 2HB ASN 56 1HB ASN 56 -17.073 -5.345 -0.007
127 1HD2 ASN 56 HD2 ASN 56 -16.167 -1.874 -1.837
128 2HD2 ASN 56 HD2 ASN 56 -15.043 -3.134 -1.663
129 H HIS 57 H HIS 57 -15.746 -5.291 1.639
130 HA HIS 57 HA HIS 57 -15.351 -2.848 2.752
131 1HB HIS 57 2HB HIS 57 -14.113 -5.333 4.021
132 2HB HIS 57 1HB HIS 57 -14.816 -3.950 4.855
133 HD1 HIS 57 HD1 HIS 57 -15.730 -7.141 4.191
134 HD2 HIS 57 HD2 HIS 57 -17.718 -3.648 3.664
135 HE1 HIS 57 HE1 HIS 57 -18.064 -7.775 4.080
136 H ASP 58 H ASP 58 -12.602 -5.139 2.527
137 HA ASP 58 HA ASP 58 -10.607 -3.414 3.447
138 1HB ASP 58 2HB ASP 58 -10.297 -5.269 1.034
139 2HB ASP 58 1HB ASP 58 -9.039 -4.788 2.171
140 H LEU 59 H LEU 59 -11.866 -3.696 0.149
141 HA LEU 59 HA LEU 59 -10.174 -1.689 -1.011
142 1HB LEU 59 2HB LEU 59 -12.083 -3.501 -1.932
143 2HB LEU 59 1HB LEU 59 -13.000 -2.011 -2.062
144 HG LEU 59 HG LEU 59 -11.835 -2.497 -4.175
145 1HD1 LEU 59 HD1 LEU 59 -12.126 -0.122 -3.343
146 2HD1 LEU 59 HD1 LEU 59 -10.463 -0.174 -2.773
147 3HD1 LEU 59 HD1 LEU 59 -10.810 -0.327 -4.492
148 1HD2 LEU 59 HD2 LEU 59 -9.811 -3.597 -2.696
149 2HD2 LEU 59 HD2 LEU 59 -9.588 -3.062 -4.358
150 3HD2 LEU 59 HD2 LEU 59 -9.093 -2.025 -3.026
151 H ILE 60 H ILE 60 -13.170 -1.537 0.818
152 HA ILE 60 HA ILE 60 -13.739 1.217 0.173
153 HB ILE 60 HB ILE 60 -14.548 -0.328 2.688
154 1HG1 ILE 60 2HG1 ILE 60 -15.819 -0.250 -0.073
155 2HG1 ILE 60 1HG1 ILE 60 -15.167 -1.656 0.751
156 1HG2 ILE 60 1HG2 ILE 60 -14.950 2.245 2.459
157 2HG2 ILE 60 3HG2 ILE 60 -16.070 1.849 1.162
158 3HG2 ILE 60 2HG2 ILE 60 -16.375 1.274 2.798
159 1HD1 ILE 60 HD1 ILE 60 -16.891 -1.092 2.630
160 2HD1 ILE 60 HD1 ILE 60 -17.668 -0.096 1.403
161 3HD1 ILE 60 HD1 ILE 60 -17.494 -1.829 1.148
162 H ARG 61 H ARG 61 -12.267 -0.362 2.980
163 HA ARG 61 HA ARG 61 -11.604 2.137 4.268
164 1HB ARG 61 2HB ARG 61 -11.785 -0.159 5.399
165 2HB ARG 61 1HB ARG 61 -10.257 -0.585 4.636
166 1HG ARG 61 2HG ARG 61 -9.216 1.433 5.734
167 2HG ARG 61 1HG ARG 61 -10.732 1.702 6.584
168 1HD ARG 61 2HD ARG 61 -9.358 -0.988 6.751
169 2HD ARG 61 1HD ARG 61 -8.850 0.337 7.795
170 HE ARG 61 HE ARG 61 -11.424 -1.096 7.946
171 1HH1 ARG 61 HH1 ARG 61 -12.728 1.213 8.330
172 2HH1 ARG 61 HH1 ARG 61 -12.297 1.842 9.886
173 1HH2 ARG 61 HH2 ARG 61 -9.430 -0.161 10.124
174 2HH2 ARG 61 HH2 ARG 61 -10.380 1.043 10.928
175 H HIS 62 H HIS 62 -10.060 0.101 1.896
176 HA HIS 62 HA HIS 62 -7.466 1.398 2.178
177 1HB HIS 62 2HB HIS 62 -7.349 -0.865 1.369
178 2HB HIS 62 1HB HIS 62 -8.639 -0.591 0.220
179 HD1 HIS 62 HD1 HIS 62 -5.088 -0.337 0.488
180 HD2 HIS 62 HD2 HIS 62 -7.937 0.999 -2.054
181 HE1 HIS 62 HE1 HIS 62 -3.846 0.526 -1.408
182 H LYS 63 H LYS 63 -10.231 1.648 -0.010
183 HA LYS 63 HA LYS 63 -8.930 3.553 -1.773
184 1HB LYS 63 2HB LYS 63 -10.891 2.103 -2.439
185 2HB LYS 63 1HB LYS 63 -11.912 3.007 -1.330
186 1HG LYS 63 2HG LYS 63 -11.753 4.996 -2.611
187 2HG LYS 63 1HG LYS 63 -10.323 4.439 -3.473
188 1HD LYS 63 2HD LYS 63 -12.901 2.873 -3.751
189 2HD LYS 63 1HD LYS 63 -12.713 4.370 -4.654
190 1HE LYS 63 2HE LYS 63 -10.507 2.312 -4.733
191 2HE LYS 63 1HE LYS 63 -11.930 2.105 -5.746
192 1HZ LYS 63 1HZ LYS 63 -11.542 4.312 -6.665
193 2HZ LYS 63 3HZ LYS 63 -10.142 4.470 -5.716
194 3HZ LYS 63 2HZ LYS 63 -10.216 3.283 -6.927
195 H LYS 64 H LYS 64 -10.709 3.775 1.198
196 HA LYS 64 HA LYS 64 -11.737 6.356 1.175
197 1HB LYS 64 2HB LYS 64 -11.565 4.554 3.111
198 2HB LYS 64 1HB LYS 64 -10.064 5.369 3.532
199 1HG LYS 64 2HG LYS 64 -11.499 7.556 3.467
200 2HG LYS 64 1HG LYS 64 -12.880 6.469 3.557
201 1HD LYS 64 2HD LYS 64 -11.765 5.407 5.594
202 2HD LYS 64 1HD LYS 64 -10.623 6.745 5.562
203 1HE LYS 64 2HE LYS 64 -12.411 8.361 5.858
204 2HE LYS 64 1HE LYS 64 -13.634 7.110 5.676
205 1HZ LYS 64 3HZ LYS 64 -11.627 7.228 7.855
206 2HZ LYS 64 2HZ LYS 64 -13.253 7.698 7.992
207 3HZ LYS 64 1HZ LYS 64 -12.861 6.073 7.691
208 H SER 65 H SER 65 -8.380 5.397 1.262
209 HA SER 65 HA SER 65 -7.354 7.997 2.015
210 1HB SER 65 2HB SER 65 -5.902 5.827 0.411
211 2HB SER 65 1HB SER 65 -5.182 7.024 1.507
212 HG SER 65 HG SER 65 -6.703 4.745 2.077
213 H HIS 66 H HIS 66 -8.145 6.442 -1.032
214 HA HIS 66 HA HIS 66 -6.870 8.501 -2.650
215 1HB HIS 66 2HB HIS 66 -8.998 6.417 -3.336
216 2HB HIS 66 1HB HIS 66 -8.132 7.388 -4.519
217 HD1 HIS 66 HD1 HIS 66 -5.361 7.081 -3.320
218 HD2 HIS 66 HD2 HIS 66 -7.887 3.965 -3.817
219 HE1 HIS 66 HE1 HIS 66 -3.925 5.134 -3.469
220 H GLN 67 H GLN 67 -10.108 7.924 -1.395
221 HA GLN 67 HA GLN 67 -10.793 10.720 -1.883
222 1HB GLN 67 2HB GLN 67 -12.905 9.869 -3.277
223 2HB GLN 67 1HB GLN 67 -11.362 10.072 -4.095
224 1HG GLN 67 2HG GLN 67 -10.889 7.731 -4.017
225 2HG GLN 67 1HG GLN 67 -12.171 7.437 -2.846
226 1HE2 GLN 67 2HE2 GLN 67 -13.027 7.246 -6.753
227 2HE2 GLN 67 1HE2 GLN 67 -11.443 7.294 -6.144
228 H GLU 68 H GLU 68 -11.239 10.773 0.298
229 HA GLU 68 HA GLU 68 -12.287 9.855 2.337
230 1HB GLU 68 2HB GLU 68 -14.345 11.447 0.732
231 2HB GLU 68 1HB GLU 68 -14.317 11.281 2.483
232 1HG GLU 68 2HG GLU 68 -12.101 12.521 0.807
233 2HG GLU 68 1HG GLU 68 -13.289 13.427 1.741
234 H LYS 69 H LYS 69 -15.308 10.000 0.574
235 HA LYS 69 HA LYS 69 -16.171 7.481 1.683
236 1HB LYS 69 2HB LYS 69 -18.176 7.867 0.170
237 2HB LYS 69 1HB LYS 69 -17.784 9.270 1.151
238 1HG LYS 69 2HG LYS 69 -16.585 10.290 -0.731
239 2HG LYS 69 1HG LYS 69 -16.871 8.861 -1.717
240 1HD LYS 69 2HD LYS 69 -19.359 9.241 -1.369
241 2HD LYS 69 1HD LYS 69 -18.948 10.786 -0.632
242 1HE LYS 69 2HE LYS 69 -18.056 9.964 -3.413
243 2HE LYS 69 1HE LYS 69 -19.491 10.931 -3.097
244 1HZ LYS 69 3HZ LYS 69 -17.059 11.860 -1.832
245 2HZ LYS 69 2HZ LYS 69 -17.077 11.954 -3.527
246 3HZ LYS 69 1HZ LYS 69 -18.282 12.736 -2.621
247 H ALA 70 H ALA 70 -17.574 6.362 -0.524
248 HA ALA 70 HA ALA 70 -15.823 5.743 -2.712
249 1HB ALA 70 2HB ALA 70 -15.869 3.874 -0.301
250 2HB ALA 70 1HB ALA 70 -15.456 3.281 -1.908
251 3HB ALA 70 3HB ALA 70 -14.462 4.517 -1.142
No H/Q in entry = 251
Start of MODEL 29
1 1H ASP 39 3H ASP 39 -12.221 -12.256 -10.891
2 2H ASP 39 2H ASP 39 -11.849 -13.888 -11.177
3 3H ASP 39 1H ASP 39 -12.059 -13.331 -9.586
4 HA ASP 39 HA ASP 39 -9.749 -13.581 -9.933
5 1HB ASP 39 2HB ASP 39 -8.648 -12.287 -11.805
6 2HB ASP 39 1HB ASP 39 -9.768 -13.499 -12.422
7 H ARG 40 H ARG 40 -9.919 -12.497 -7.962
8 HA ARG 40 HA ARG 40 -9.803 -10.659 -6.492
9 1HB ARG 40 2HB ARG 40 -8.087 -9.876 -8.887
10 2HB ARG 40 1HB ARG 40 -8.190 -8.854 -7.458
11 1HG ARG 40 2HG ARG 40 -7.483 -10.792 -6.054
12 2HG ARG 40 1HG ARG 40 -7.305 -11.758 -7.513
13 1HD ARG 40 2HD ARG 40 -5.475 -10.469 -8.289
14 2HD ARG 40 1HD ARG 40 -5.867 -9.109 -7.236
15 HE ARG 40 HE ARG 40 -4.369 -10.137 -5.739
16 1HH1 ARG 40 HH2 ARG 40 -5.845 -11.859 -4.279
17 2HH1 ARG 40 HH2 ARG 40 -5.426 -13.471 -4.755
18 1HH2 ARG 40 HH1 ARG 40 -3.981 -12.418 -7.770
19 2HH2 ARG 40 HH1 ARG 40 -4.343 -13.796 -6.784
20 HA PRO 41 HA PRO 41 -13.101 -8.443 -8.995
21 1HB PRO 41 2HB PRO 41 -14.718 -8.677 -6.524
22 2HB PRO 41 1HB PRO 41 -15.102 -9.273 -8.141
23 1HG PRO 41 2HG PRO 41 -14.324 -10.867 -5.897
24 2HG PRO 41 1HG PRO 41 -14.441 -11.421 -7.573
25 1HD PRO 41 1HD PRO 41 -12.020 -10.901 -5.987
26 2HD PRO 41 2HD PRO 41 -12.147 -11.666 -7.581
27 H TYR 42 H TYR 42 -11.176 -8.010 -6.357
28 HA TYR 42 HA TYR 42 -11.855 -5.128 -6.179
29 1HB TYR 42 2HB TYR 42 -11.276 -6.990 -3.801
30 2HB TYR 42 1HB TYR 42 -11.479 -5.244 -3.701
31 HD1 TYR 42 HD2 TYR 42 -13.231 -8.419 -4.383
32 HD2 TYR 42 HD1 TYR 42 -13.665 -4.222 -3.918
33 HE1 TYR 42 HE2 TYR 42 -15.661 -8.685 -4.236
34 HE2 TYR 42 HE1 TYR 42 -16.094 -4.479 -3.779
35 HH TYR 42 HH TYR 42 -17.700 -7.278 -4.668
36 H SER 43 H SER 43 -10.125 -4.572 -7.309
37 HA SER 43 HA SER 43 -7.490 -4.877 -5.942
38 1HB SER 43 2HB SER 43 -6.415 -5.416 -8.128
39 2HB SER 43 1HB SER 43 -7.701 -6.596 -7.825
40 HG SER 43 HG SER 43 -7.572 -4.541 -9.664
41 H CYS 44 H CYS 44 -8.060 -2.666 -5.361
42 HA CYS 44 HA CYS 44 -8.597 -0.543 -7.055
43 1HB CYS 44 2HB CYS 44 -8.345 -0.300 -4.619
44 2HB CYS 44 1HB CYS 44 -6.640 -0.671 -4.730
45 H ASP 45 H ASP 45 -7.204 1.115 -7.923
46 HA ASP 45 HA ASP 45 -4.416 0.506 -8.506
47 1HB ASP 45 2HB ASP 45 -4.885 0.466 -11.049
48 2HB ASP 45 1HB ASP 45 -5.397 -0.977 -10.177
49 H HIS 46 H HIS 46 -5.702 2.678 -7.317
50 HA HIS 46 HA HIS 46 -6.097 4.794 -9.243
51 1HB HIS 46 2HB HIS 46 -7.231 5.344 -7.263
52 2HB HIS 46 1HB HIS 46 -6.102 4.447 -6.258
53 HD1 HIS 46 HD1 HIS 46 -6.820 7.789 -7.336
54 HD2 HIS 46 HD2 HIS 46 -3.668 5.905 -5.617
55 HE1 HIS 46 HE1 HIS 46 -5.423 9.579 -6.486
56 HA PRO 47 HA PRO 47 -1.944 6.005 -10.084
57 1HB PRO 47 2HB PRO 47 -2.360 8.874 -9.520
58 2HB PRO 47 1HB PRO 47 -2.191 8.085 -11.093
59 1HG PRO 47 2HG PRO 47 -4.641 9.075 -9.839
60 2HG PRO 47 1HG PRO 47 -4.458 8.367 -11.450
61 1HD PRO 47 1HD PRO 47 -5.717 7.135 -9.186
62 2HD PRO 47 2HD PRO 47 -5.337 6.361 -10.733
63 H GLY 48 H GLY 48 -0.348 5.608 -8.702
64 1HA GLY 48 2HA GLY 48 1.168 6.241 -6.930
65 2HA GLY 48 1HA GLY 48 -0.106 7.223 -6.209
66 H CYS 49 H CYS 49 -0.872 4.030 -7.306
67 HA CYS 49 HA CYS 49 -0.372 2.769 -4.702
68 1HB CYS 49 2HB CYS 49 -2.403 3.799 -4.057
69 2HB CYS 49 1HB CYS 49 -3.105 3.634 -5.646
70 H ASP 50 H ASP 50 -1.053 0.547 -4.652
71 HA ASP 50 HA ASP 50 -1.927 -0.754 -7.105
72 1HB ASP 50 2HB ASP 50 0.249 -2.085 -7.313
73 2HB ASP 50 1HB ASP 50 0.427 -0.379 -7.717
74 H LYS 51 H LYS 51 -2.326 -0.568 -4.099
75 HA LYS 51 HA LYS 51 -1.655 -3.166 -3.043
76 1HB LYS 51 2HB LYS 51 -2.160 -1.054 -1.689
77 2HB LYS 51 1HB LYS 51 -3.856 -1.273 -2.107
78 1HG LYS 51 2HG LYS 51 -4.018 -3.311 -0.897
79 2HG LYS 51 1HG LYS 51 -2.271 -3.516 -0.833
80 1HD LYS 51 2HD LYS 51 -2.066 -1.589 0.669
81 2HD LYS 51 1HD LYS 51 -3.796 -1.290 0.558
82 1HE LYS 51 2HE LYS 51 -4.114 -3.685 1.424
83 2HE LYS 51 1HE LYS 51 -2.398 -3.666 1.807
84 1HZ LYS 51 3HZ LYS 51 -2.829 -1.628 3.123
85 2HZ LYS 51 2HZ LYS 51 -4.492 -1.865 2.874
86 3HZ LYS 51 1HZ LYS 51 -3.587 -3.020 3.730
87 H ALA 52 H ALA 52 -2.483 -4.953 -3.911
88 HA ALA 52 HA ALA 52 -5.094 -4.984 -5.208
89 1HB ALA 52 3HB ALA 52 -3.069 -7.144 -4.462
90 2HB ALA 52 2HB ALA 52 -4.584 -7.515 -5.279
91 3HB ALA 52 1HB ALA 52 -3.390 -6.489 -6.065
92 H PHE 53 H PHE 53 -6.779 -6.523 -4.607
93 HA PHE 53 HA PHE 53 -6.892 -7.252 -1.724
94 1HB PHE 53 2HB PHE 53 -8.711 -5.249 -3.128
95 2HB PHE 53 1HB PHE 53 -9.287 -6.141 -1.728
96 HD1 PHE 53 HD2 PHE 53 -7.827 -5.992 0.427
97 HD2 PHE 53 HD1 PHE 53 -7.353 -3.341 -2.878
98 HE1 PHE 53 HE2 PHE 53 -6.688 -4.369 1.880
99 HE2 PHE 53 HE1 PHE 53 -6.206 -1.739 -1.425
100 HZ PHE 53 HZ PHE 53 -5.892 -2.238 0.955
101 H VAL 54 H VAL 54 -9.359 -8.063 -1.408
102 HA VAL 54 HA VAL 54 -10.225 -9.702 -3.735
103 HB VAL 54 HB VAL 54 -10.277 -11.716 -2.021
104 1HG1 VAL 54 2HG1 VAL 54 -8.748 -11.507 -4.002
105 2HG1 VAL 54 1HG1 VAL 54 -7.585 -10.677 -2.972
106 3HG1 VAL 54 3HG1 VAL 54 -8.004 -12.356 -2.650
107 1HG2 VAL 54 3HG2 VAL 54 -9.725 -10.229 -0.057
108 2HG2 VAL 54 2HG2 VAL 54 -8.633 -11.599 -0.229
109 3HG2 VAL 54 1HG2 VAL 54 -8.121 -9.996 -0.745
110 H ARG 55 H ARG 55 -10.716 -8.628 -0.406
111 HA ARG 55 HA ARG 55 -13.589 -9.377 -0.505
112 1HB ARG 55 2HB ARG 55 -11.955 -9.544 1.578
113 2HB ARG 55 1HB ARG 55 -12.203 -7.811 1.731
114 1HG ARG 55 2HG ARG 55 -14.601 -8.117 1.974
115 2HG ARG 55 1HG ARG 55 -14.467 -9.832 1.615
116 1HD ARG 55 2HD ARG 55 -13.018 -10.100 3.645
117 2HD ARG 55 1HD ARG 55 -13.286 -8.398 4.017
118 HE ARG 55 HE ARG 55 -15.589 -8.897 4.552
119 1HH1 ARG 55 HH1 ARG 55 -16.450 -10.857 2.667
120 2HH1 ARG 55 HH1 ARG 55 -16.421 -12.357 3.532
121 1HH2 ARG 55 HH2 ARG 55 -14.342 -11.092 6.055
122 2HH2 ARG 55 HH2 ARG 55 -15.195 -12.494 5.501
123 H ASN 56 H ASN 56 -15.122 -7.604 0.351
124 HA ASN 56 HA ASN 56 -14.777 -5.266 -1.405
125 1HB ASN 56 2HB ASN 56 -17.001 -6.359 -1.213
126 2HB ASN 56 1HB ASN 56 -17.013 -6.078 0.525
127 1HD2 ASN 56 HD2 ASN 56 -18.674 -3.031 -0.049
128 2HD2 ASN 56 HD2 ASN 56 -18.637 -4.514 0.776
129 H HIS 57 H HIS 57 -15.658 -5.607 2.027
130 HA HIS 57 HA HIS 57 -15.406 -3.004 2.875
131 1HB HIS 57 2HB HIS 57 -15.881 -4.288 4.761
132 2HB HIS 57 1HB HIS 57 -15.073 -5.699 4.096
133 HD1 HIS 57 HD1 HIS 57 -12.798 -6.108 4.997
134 HD2 HIS 57 HD2 HIS 57 -14.117 -2.465 6.188
135 HE1 HIS 57 HE1 HIS 57 -11.153 -5.360 6.603
136 H ASP 58 H ASP 58 -12.615 -5.265 2.659
137 HA ASP 58 HA ASP 58 -10.610 -3.530 3.512
138 1HB ASP 58 2HB ASP 58 -9.057 -4.887 2.225
139 2HB ASP 58 1HB ASP 58 -10.367 -5.971 2.673
140 H LEU 59 H LEU 59 -12.199 -3.609 0.365
141 HA LEU 59 HA LEU 59 -10.485 -1.603 -0.845
142 1HB LEU 59 2HB LEU 59 -12.523 -3.354 -1.701
143 2HB LEU 59 1HB LEU 59 -13.346 -1.808 -1.794
144 HG LEU 59 HG LEU 59 -12.275 -2.355 -3.947
145 1HD1 LEU 59 HD1 LEU 59 -12.392 0.031 -3.126
146 2HD1 LEU 59 HD1 LEU 59 -10.723 -0.120 -2.596
147 3HD1 LEU 59 HD1 LEU 59 -11.117 -0.262 -4.303
148 1HD2 LEU 59 HD2 LEU 59 -10.291 -3.593 -2.533
149 2HD2 LEU 59 HD2 LEU 59 -10.076 -3.058 -4.196
150 3HD2 LEU 59 HD2 LEU 59 -9.481 -2.065 -2.872
151 H ILE 60 H ILE 60 -13.376 -1.515 1.145
152 HA ILE 60 HA ILE 60 -13.852 1.309 0.649
153 HB ILE 60 HB ILE 60 -14.871 -0.739 2.674
154 1HG1 ILE 60 2HG1 ILE 60 -17.066 -0.043 1.655
155 2HG1 ILE 60 1HG1 ILE 60 -16.182 1.018 0.567
156 1HG2 ILE 60 2HG2 ILE 60 -15.230 2.308 2.723
157 2HG2 ILE 60 1HG2 ILE 60 -16.401 1.236 3.482
158 3HG2 ILE 60 3HG2 ILE 60 -14.737 1.268 4.055
159 1HD1 ILE 60 HD1 ILE 60 -15.588 -1.939 0.795
160 2HD1 ILE 60 HD1 ILE 60 -16.745 -1.295 -0.360
161 3HD1 ILE 60 HD1 ILE 60 -15.050 -0.833 -0.460
162 H ARG 61 H ARG 61 -12.349 -0.591 3.209
163 HA ARG 61 HA ARG 61 -11.566 1.749 4.726
164 1HB ARG 61 2HB ARG 61 -11.906 -0.682 5.594
165 2HB ARG 61 1HB ARG 61 -10.341 -1.047 4.877
166 1HG ARG 61 2HG ARG 61 -9.207 0.487 6.322
167 2HG ARG 61 1HG ARG 61 -10.711 1.246 6.827
168 1HD ARG 61 2HD ARG 61 -9.877 -0.290 8.577
169 2HD ARG 61 1HD ARG 61 -11.404 -0.875 7.918
170 HE ARG 61 HE ARG 61 -9.554 -2.170 6.352
171 1HH1 ARG 61 HH1 ARG 61 -11.200 -3.111 8.872
172 2HH1 ARG 61 HH1 ARG 61 -9.967 -3.998 9.706
173 1HH2 ARG 61 HH2 ARG 61 -7.393 -2.660 7.735
174 2HH2 ARG 61 HH2 ARG 61 -7.754 -3.735 9.044
175 H HIS 62 H HIS 62 -10.605 0.726 1.805
176 HA HIS 62 HA HIS 62 -7.774 1.635 2.213
177 1HB HIS 62 2HB HIS 62 -7.716 -0.671 1.461
178 2HB HIS 62 1HB HIS 62 -8.969 -0.369 0.278
179 HD1 HIS 62 HD1 HIS 62 -5.419 -0.042 0.704
180 HD2 HIS 62 HD2 HIS 62 -8.215 1.096 -2.003
181 HE1 HIS 62 HE1 HIS 62 -4.130 0.845 -1.145
182 H LYS 63 H LYS 63 -10.377 1.533 -0.168
183 HA LYS 63 HA LYS 63 -9.424 3.312 -2.092
184 1HB LYS 63 2HB LYS 63 -11.572 2.029 -2.226
185 2HB LYS 63 1HB LYS 63 -12.267 3.022 -0.963
186 1HG LYS 63 2HG LYS 63 -13.081 3.828 -3.107
187 2HG LYS 63 1HG LYS 63 -11.981 5.032 -2.463
188 1HD LYS 63 2HD LYS 63 -10.260 4.437 -3.967
189 2HD LYS 63 1HD LYS 63 -10.958 2.868 -4.309
190 1HE LYS 63 2HE LYS 63 -11.231 4.678 -6.123
191 2HE LYS 63 1HE LYS 63 -12.688 3.817 -5.644
192 1HZ LYS 63 1HZ LYS 63 -11.844 6.445 -4.559
193 2HZ LYS 63 3HZ LYS 63 -13.004 6.224 -5.780
194 3HZ LYS 63 2HZ LYS 63 -13.293 5.627 -4.216
195 H LYS 64 H LYS 64 -10.308 4.007 1.190
196 HA LYS 64 HA LYS 64 -11.096 6.713 0.916
197 1HB LYS 64 2HB LYS 64 -10.075 6.961 3.276
198 2HB LYS 64 1HB LYS 64 -11.288 5.698 3.104
199 1HG LYS 64 2HG LYS 64 -9.713 3.963 3.222
200 2HG LYS 64 1HG LYS 64 -8.389 4.985 2.681
201 1HD LYS 64 2HD LYS 64 -8.199 6.062 4.798
202 2HD LYS 64 1HD LYS 64 -9.780 5.502 5.321
203 1HE LYS 64 2HE LYS 64 -9.018 3.330 5.756
204 2HE LYS 64 1HE LYS 64 -7.656 3.473 4.646
205 1HZ LYS 64 1HZ LYS 64 -7.656 5.306 6.893
206 2HZ LYS 64 3HZ LYS 64 -7.423 3.667 7.274
207 3HZ LYS 64 2HZ LYS 64 -6.376 4.445 6.185
208 H SER 65 H SER 65 -7.911 5.236 0.808
209 HA SER 65 HA SER 65 -6.329 7.566 1.117
210 1HB SER 65 2HB SER 65 -5.981 4.992 -0.501
211 2HB SER 65 1HB SER 65 -4.743 6.262 -0.541
212 HG SER 65 HG SER 65 -5.222 6.179 1.909
213 H HIS 66 H HIS 66 -8.489 6.588 -1.302
214 HA HIS 66 HA HIS 66 -7.687 8.891 -3.050
215 1HB HIS 66 2HB HIS 66 -9.137 6.458 -4.172
216 2HB HIS 66 1HB HIS 66 -8.014 7.542 -4.978
217 HD1 HIS 66 HD1 HIS 66 -5.558 7.241 -3.538
218 HD2 HIS 66 HD2 HIS 66 -7.996 4.019 -3.897
219 HE1 HIS 66 HE1 HIS 66 -4.081 5.322 -3.381
220 H GLN 67 H GLN 67 -9.404 9.351 -1.042
221 HA GLN 67 HA GLN 67 -11.878 9.224 -0.523
222 1HB GLN 67 2HB GLN 67 -10.748 11.439 -0.415
223 2HB GLN 67 1HB GLN 67 -11.013 11.667 -2.141
224 1HG GLN 67 2HG GLN 67 -13.380 11.801 -1.870
225 2HG GLN 67 1HG GLN 67 -13.311 11.134 -0.240
226 1HE2 GLN 67 2HE2 GLN 67 -12.398 14.228 1.280
227 2HE2 GLN 67 1HE2 GLN 67 -12.401 12.541 1.476
228 H GLU 68 H GLU 68 -11.565 10.799 -3.654
229 HA GLU 68 HA GLU 68 -13.354 10.959 -5.298
230 1HB GLU 68 2HB GLU 68 -12.186 8.139 -5.369
231 2HB GLU 68 1HB GLU 68 -13.135 8.829 -6.678
232 1HG GLU 68 2HG GLU 68 -11.476 10.768 -6.701
233 2HG GLU 68 1HG GLU 68 -10.468 9.807 -5.622
234 H LYS 69 H LYS 69 -14.696 10.476 -2.882
235 HA LYS 69 HA LYS 69 -16.349 8.147 -2.940
236 1HB LYS 69 2HB LYS 69 -16.744 10.938 -1.767
237 2HB LYS 69 1HB LYS 69 -17.902 9.637 -1.513
238 1HG LYS 69 2HG LYS 69 -16.201 8.253 -0.456
239 2HG LYS 69 1HG LYS 69 -14.950 9.430 -0.842
240 1HD LYS 69 2HD LYS 69 -15.940 11.072 0.634
241 2HD LYS 69 1HD LYS 69 -17.366 10.070 0.877
242 1HE LYS 69 2HE LYS 69 -16.119 8.425 2.096
243 2HE LYS 69 1HE LYS 69 -14.582 9.126 1.605
244 1HZ LYS 69 2HZ LYS 69 -15.123 11.109 2.879
245 2HZ LYS 69 1HZ LYS 69 -16.591 10.411 3.370
246 3HZ LYS 69 3HZ LYS 69 -15.118 9.725 3.864
247 H ALA 70 H ALA 70 -18.886 8.602 -3.011
248 HA ALA 70 HA ALA 70 -19.735 10.381 -5.155
249 1HB ALA 70 3HB ALA 70 -19.618 7.356 -5.613
250 2HB ALA 70 2HB ALA 70 -20.464 8.482 -6.669
251 3HB ALA 70 1HB ALA 70 -18.713 8.575 -6.505
No H/Q in entry = 251
Start of MODEL 30
1 1H ASP 39 1H ASP 39 -10.027 -15.369 -4.072
2 2H ASP 39 3H ASP 39 -10.217 -16.621 -5.205
3 3H ASP 39 2H ASP 39 -8.925 -15.530 -5.355
4 HA ASP 39 HA ASP 39 -10.597 -14.992 -6.960
5 1HB ASP 39 2HB ASP 39 -12.856 -14.269 -6.128
6 2HB ASP 39 1HB ASP 39 -12.544 -15.954 -5.720
7 H ARG 40 H ARG 40 -10.636 -12.887 -7.612
8 HA ARG 40 HA ARG 40 -10.110 -10.762 -5.563
9 1HB ARG 40 2HB ARG 40 -8.581 -10.983 -8.195
10 2HB ARG 40 1HB ARG 40 -8.234 -9.910 -6.844
11 1HG ARG 40 2HG ARG 40 -7.805 -11.944 -5.422
12 2HG ARG 40 1HG ARG 40 -7.991 -12.936 -6.864
13 1HD ARG 40 2HD ARG 40 -5.624 -12.517 -6.595
14 2HD ARG 40 1HD ARG 40 -6.170 -11.525 -7.946
15 HE ARG 40 HE ARG 40 -5.672 -9.615 -6.653
16 1HH1 ARG 40 HH2 ARG 40 -4.699 -12.331 -5.017
17 2HH1 ARG 40 HH2 ARG 40 -4.754 -11.644 -3.428
18 1HH2 ARG 40 HH1 ARG 40 -6.332 -8.715 -4.532
19 2HH2 ARG 40 HH1 ARG 40 -5.703 -9.542 -3.147
20 HA PRO 41 HA PRO 41 -13.298 -9.715 -8.824
21 1HB PRO 41 2HB PRO 41 -14.891 -8.601 -6.598
22 2HB PRO 41 1HB PRO 41 -15.326 -9.911 -7.703
23 1HG PRO 41 2HG PRO 41 -14.592 -10.177 -4.935
24 2HG PRO 41 1HG PRO 41 -14.844 -11.495 -6.087
25 1HD PRO 41 1HD PRO 41 -12.311 -10.501 -4.993
26 2HD PRO 41 2HD PRO 41 -12.581 -11.929 -6.005
27 H TYR 42 H TYR 42 -11.345 -8.131 -6.559
28 HA TYR 42 HA TYR 42 -11.881 -5.521 -7.795
29 1HB TYR 42 2HB TYR 42 -11.303 -6.266 -4.878
30 2HB TYR 42 1HB TYR 42 -11.186 -4.624 -5.495
31 HD1 TYR 42 HD1 TYR 42 -13.292 -3.714 -6.766
32 HD2 TYR 42 HD2 TYR 42 -13.386 -6.999 -4.067
33 HE1 TYR 42 HE1 TYR 42 -15.668 -3.300 -6.346
34 HE2 TYR 42 HE2 TYR 42 -15.762 -6.585 -3.648
35 HH TYR 42 HH TYR 42 -17.588 -5.487 -4.341
36 H SER 43 H SER 43 -10.085 -4.227 -6.807
37 HA SER 43 HA SER 43 -7.478 -4.835 -6.308
38 1HB SER 43 2HB SER 43 -6.611 -4.739 -8.889
39 2HB SER 43 1HB SER 43 -7.110 -6.286 -8.186
40 HG SER 43 HG SER 43 -9.222 -4.797 -9.028
41 H CYS 44 H CYS 44 -7.586 -2.714 -5.471
42 HA CYS 44 HA CYS 44 -8.445 -0.452 -6.922
43 1HB CYS 44 2HB CYS 44 -7.965 -0.480 -4.488
44 2HB CYS 44 1HB CYS 44 -6.264 -0.694 -4.819
45 H ASP 45 H ASP 45 -7.193 1.258 -7.844
46 HA ASP 45 HA ASP 45 -4.445 0.696 -8.706
47 1HB ASP 45 2HB ASP 45 -5.860 -0.578 -10.361
48 2HB ASP 45 1HB ASP 45 -6.721 0.911 -10.749
49 H HIS 46 H HIS 46 -5.658 2.742 -7.174
50 HA HIS 46 HA HIS 46 -6.193 5.048 -8.763
51 1HB HIS 46 2HB HIS 46 -6.926 5.451 -6.574
52 2HB HIS 46 1HB HIS 46 -5.713 4.387 -5.879
53 HD1 HIS 46 HD1 HIS 46 -6.351 7.866 -6.464
54 HD2 HIS 46 HD2 HIS 46 -3.125 5.625 -5.481
55 HE1 HIS 46 HE1 HIS 46 -4.726 9.463 -5.646
56 HA PRO 47 HA PRO 47 -2.251 6.280 -10.268
57 1HB PRO 47 2HB PRO 47 -2.415 9.033 -9.178
58 2HB PRO 47 1HB PRO 47 -2.533 8.510 -10.863
59 1HG PRO 47 2HG PRO 47 -4.707 9.333 -9.102
60 2HG PRO 47 1HG PRO 47 -4.824 8.833 -10.796
61 1HD PRO 47 1HD PRO 47 -5.717 7.339 -8.510
62 2HD PRO 47 2HD PRO 47 -5.650 6.770 -10.187
63 H GLY 48 H GLY 48 -0.745 5.208 -9.078
64 1HA GLY 48 2HA GLY 48 1.245 5.464 -7.693
65 2HA GLY 48 1HA GLY 48 0.382 6.637 -6.704
66 H CYS 49 H CYS 49 -0.712 3.400 -7.730
67 HA CYS 49 HA CYS 49 -0.140 2.213 -5.142
68 1HB CYS 49 2HB CYS 49 -1.977 3.433 -4.294
69 2HB CYS 49 1HB CYS 49 -2.886 3.288 -5.777
70 H ASP 50 H ASP 50 -1.168 0.110 -4.873
71 HA ASP 50 HA ASP 50 -2.385 -1.217 -7.137
72 1HB ASP 50 2HB ASP 50 0.177 -0.913 -7.695
73 2HB ASP 50 1HB ASP 50 0.446 -2.153 -6.473
74 H LYS 51 H LYS 51 -2.620 -0.844 -4.216
75 HA LYS 51 HA LYS 51 -1.941 -3.249 -2.835
76 1HB LYS 51 2HB LYS 51 -3.870 -0.953 -2.408
77 2HB LYS 51 1HB LYS 51 -4.093 -2.387 -1.411
78 1HG LYS 51 2HG LYS 51 -2.616 -0.840 -0.234
79 2HG LYS 51 1HG LYS 51 -1.677 -2.239 -0.738
80 1HD LYS 51 2HD LYS 51 -0.831 -1.012 -2.685
81 2HD LYS 51 1HD LYS 51 -1.833 0.376 -2.275
82 1HE LYS 51 2HE LYS 51 0.464 -0.764 -0.652
83 2HE LYS 51 1HE LYS 51 0.409 0.803 -1.446
84 1HZ LYS 51 1HZ LYS 51 -1.794 0.797 0.150
85 2HZ LYS 51 3HZ LYS 51 -0.621 0.017 1.098
86 3HZ LYS 51 2HZ LYS 51 -0.321 1.572 0.483
87 H ALA 52 H ALA 52 -2.510 -4.942 -4.313
88 HA ALA 52 HA ALA 52 -4.970 -5.467 -5.514
89 1HB ALA 52 3HB ALA 52 -2.925 -6.955 -5.631
90 2HB ALA 52 2HB ALA 52 -3.263 -7.504 -3.992
91 3HB ALA 52 1HB ALA 52 -4.391 -7.871 -5.294
92 H PHE 53 H PHE 53 -6.760 -6.880 -4.842
93 HA PHE 53 HA PHE 53 -7.174 -7.028 -1.890
94 1HB PHE 53 2HB PHE 53 -8.742 -5.319 -3.858
95 2HB PHE 53 1HB PHE 53 -9.591 -5.998 -2.465
96 HD1 PHE 53 HD2 PHE 53 -8.245 -5.743 -0.167
97 HD2 PHE 53 HD1 PHE 53 -7.666 -3.241 -3.566
98 HE1 PHE 53 HE2 PHE 53 -7.214 -4.039 1.259
99 HE2 PHE 53 HE1 PHE 53 -6.636 -1.537 -2.126
100 HZ PHE 53 HZ PHE 53 -6.404 -1.945 0.285
101 H VAL 54 H VAL 54 -8.681 -8.456 -1.208
102 HA VAL 54 HA VAL 54 -9.775 -10.345 -3.279
103 HB VAL 54 HB VAL 54 -9.572 -11.963 -1.117
104 1HG1 VAL 54 1HG1 VAL 54 -7.362 -11.077 -2.988
105 2HG1 VAL 54 3HG1 VAL 54 -7.101 -12.373 -1.825
106 3HG1 VAL 54 2HG1 VAL 54 -8.338 -12.539 -3.065
107 1HG2 VAL 54 2HG2 VAL 54 -8.770 -9.838 0.210
108 2HG2 VAL 54 1HG2 VAL 54 -7.932 -11.361 0.476
109 3HG2 VAL 54 3HG2 VAL 54 -7.222 -10.134 -0.569
110 H ARG 55 H ARG 55 -10.302 -8.635 -0.243
111 HA ARG 55 HA ARG 55 -13.090 -9.697 -0.063
112 1HB ARG 55 2HB ARG 55 -11.620 -7.771 1.809
113 2HB ARG 55 1HB ARG 55 -13.120 -8.623 2.153
114 1HG ARG 55 2HG ARG 55 -11.728 -10.791 1.699
115 2HG ARG 55 1HG ARG 55 -10.331 -9.751 1.921
116 1HD ARG 55 2HD ARG 55 -11.487 -8.997 4.125
117 2HD ARG 55 1HD ARG 55 -12.484 -10.440 3.921
118 HE ARG 55 HE ARG 55 -9.538 -10.813 3.789
119 1HH1 ARG 55 HH2 ARG 55 -10.722 -13.254 4.220
120 2HH1 ARG 55 HH2 ARG 55 -10.914 -13.434 5.932
121 1HH2 ARG 55 HH1 ARG 55 -10.539 -10.001 6.536
122 2HH2 ARG 55 HH1 ARG 55 -10.807 -11.542 7.279
123 H ASN 56 H ASN 56 -13.851 -7.202 1.378
124 HA ASN 56 HA ASN 56 -14.043 -5.287 -0.917
125 1HB ASN 56 2HB ASN 56 -16.091 -6.825 -0.726
126 2HB ASN 56 1HB ASN 56 -16.398 -6.109 0.854
127 1HD2 ASN 56 HD2 ASN 56 -16.560 -3.468 -2.295
128 2HD2 ASN 56 HD2 ASN 56 -15.282 -4.583 -2.209
129 H HIS 57 H HIS 57 -14.659 -5.783 2.566
130 HA HIS 57 HA HIS 57 -15.059 -3.051 3.223
131 1HB HIS 57 2HB HIS 57 -13.495 -4.995 4.992
132 2HB HIS 57 1HB HIS 57 -14.608 -3.725 5.498
133 HD1 HIS 57 HD1 HIS 57 -14.603 -7.144 5.182
134 HD2 HIS 57 HD2 HIS 57 -17.364 -4.334 4.224
135 HE1 HIS 57 HE1 HIS 57 -16.693 -8.359 5.051
136 H ASP 58 H ASP 58 -11.995 -4.901 3.392
137 HA ASP 58 HA ASP 58 -10.320 -2.781 4.116
138 1HB ASP 58 2HB ASP 58 -9.557 -4.818 1.970
139 2HB ASP 58 1HB ASP 58 -8.517 -4.098 3.197
140 H LEU 59 H LEU 59 -11.477 -3.676 0.890
141 HA LEU 59 HA LEU 59 -10.021 -1.656 -0.553
142 1HB LEU 59 2HB LEU 59 -11.076 -3.600 -1.658
143 2HB LEU 59 1HB LEU 59 -12.661 -3.103 -1.112
144 HG LEU 59 HG LEU 59 -12.522 -1.057 -2.510
145 1HD1 LEU 59 HD1 LEU 59 -9.779 -2.198 -3.148
146 2HD1 LEU 59 HD1 LEU 59 -10.564 -1.047 -4.220
147 3HD1 LEU 59 HD1 LEU 59 -10.166 -0.580 -2.578
148 1HD2 LEU 59 HD2 LEU 59 -12.260 -3.813 -3.653
149 2HD2 LEU 59 HD2 LEU 59 -13.615 -2.705 -3.737
150 3HD2 LEU 59 HD2 LEU 59 -12.227 -2.477 -4.791
151 H ILE 60 H ILE 60 -13.110 -1.670 1.146
152 HA ILE 60 HA ILE 60 -13.938 0.893 0.121
153 HB ILE 60 HB ILE 60 -14.767 -0.757 2.558
154 1HG1 ILE 60 2HG1 ILE 60 -16.288 -0.063 0.011
155 2HG1 ILE 60 1HG1 ILE 60 -15.345 -1.532 0.205
156 1HG2 ILE 60 3HG2 ILE 60 -15.823 1.927 1.509
157 2HG2 ILE 60 2HG2 ILE 60 -16.771 0.896 2.572
158 3HG2 ILE 60 1HG2 ILE 60 -15.254 1.575 3.138
159 1HD1 ILE 60 HD1 ILE 60 -16.850 -1.744 2.450
160 2HD1 ILE 60 HD1 ILE 60 -17.956 -0.773 1.483
161 3HD1 ILE 60 HD1 ILE 60 -17.418 -2.340 0.898
162 H ARG 61 H ARG 61 -12.267 -0.191 3.021
163 HA ARG 61 HA ARG 61 -12.061 2.527 4.086
164 1HB ARG 61 2HB ARG 61 -10.883 -0.186 4.832
165 2HB ARG 61 1HB ARG 61 -10.364 1.273 5.661
166 1HG ARG 61 2HG ARG 61 -13.302 0.554 5.384
167 2HG ARG 61 1HG ARG 61 -12.333 -0.073 6.708
168 1HD ARG 61 2HD ARG 61 -13.159 1.870 7.710
169 2HD ARG 61 1HD ARG 61 -11.694 2.532 6.997
170 HE ARG 61 HE ARG 61 -13.987 2.655 5.197
171 1HH1 ARG 61 HH1 ARG 61 -11.533 4.501 5.942
172 2HH1 ARG 61 HH1 ARG 61 -12.388 5.926 6.431
173 1HH2 ARG 61 HH2 ARG 61 -15.466 4.259 6.620
174 2HH2 ARG 61 HH2 ARG 61 -14.673 5.785 6.825
175 H HIS 62 H HIS 62 -10.263 0.480 1.968
176 HA HIS 62 HA HIS 62 -7.783 2.031 2.238
177 1HB HIS 62 2HB HIS 62 -7.457 -0.319 1.756
178 2HB HIS 62 1HB HIS 62 -8.647 -0.280 0.483
179 HD1 HIS 62 HD1 HIS 62 -5.171 0.339 1.021
180 HD2 HIS 62 HD2 HIS 62 -7.867 0.996 -1.943
181 HE1 HIS 62 HE1 HIS 62 -3.833 1.060 -0.865
182 H LYS 63 H LYS 63 -10.438 1.721 -0.092
183 HA LYS 63 HA LYS 63 -9.193 3.436 -2.048
184 1HB LYS 63 2HB LYS 63 -11.025 1.807 -2.579
185 2HB LYS 63 1HB LYS 63 -12.143 2.776 -1.623
186 1HG LYS 63 2HG LYS 63 -11.900 4.662 -3.116
187 2HG LYS 63 1HG LYS 63 -10.569 3.887 -3.965
188 1HD LYS 63 2HD LYS 63 -12.604 3.633 -5.295
189 2HD LYS 63 1HD LYS 63 -12.132 2.059 -4.669
190 1HE LYS 63 2HE LYS 63 -13.854 2.043 -3.055
191 2HE LYS 63 1HE LYS 63 -14.068 3.789 -3.122
192 1HZ LYS 63 3HZ LYS 63 -14.824 3.437 -5.478
193 2HZ LYS 63 2HZ LYS 63 -14.894 1.778 -5.127
194 3HZ LYS 63 1HZ LYS 63 -15.870 2.870 -4.267
195 H LYS 64 H LYS 64 -11.871 4.010 0.242
196 HA LYS 64 HA LYS 64 -12.334 6.703 -0.306
197 1HB LYS 64 2HB LYS 64 -13.577 5.318 1.401
198 2HB LYS 64 1HB LYS 64 -12.191 5.439 2.479
199 1HG LYS 64 2HG LYS 64 -12.417 7.851 2.606
200 2HG LYS 64 1HG LYS 64 -13.653 7.852 1.355
201 1HD LYS 64 2HD LYS 64 -13.937 6.439 4.036
202 2HD LYS 64 1HD LYS 64 -14.580 8.039 3.698
203 1HE LYS 64 2HE LYS 64 -15.681 6.744 1.600
204 2HE LYS 64 1HE LYS 64 -15.518 5.373 2.693
205 1HZ LYS 64 3HZ LYS 64 -16.524 7.536 4.145
206 2HZ LYS 64 2HZ LYS 64 -17.442 7.391 2.722
207 3HZ LYS 64 1HZ LYS 64 -17.287 6.066 3.773
208 H SER 65 H SER 65 -9.495 5.299 1.010
209 HA SER 65 HA SER 65 -8.538 7.652 2.401
210 1HB SER 65 2HB SER 65 -6.929 5.337 1.184
211 2HB SER 65 1HB SER 65 -6.392 6.423 2.480
212 HG SER 65 HG SER 65 -7.759 5.509 3.845
213 H HIS 66 H HIS 66 -8.055 6.334 -0.850
214 HA HIS 66 HA HIS 66 -6.083 8.146 -1.750
215 1HB HIS 66 2HB HIS 66 -8.385 6.706 -3.138
216 2HB HIS 66 1HB HIS 66 -7.297 7.748 -4.052
217 HD1 HIS 66 HD1 HIS 66 -4.686 7.015 -3.054
218 HD2 HIS 66 HD2 HIS 66 -7.520 4.153 -3.479
219 HE1 HIS 66 HE1 HIS 66 -3.446 4.943 -3.254
220 H GLN 67 H GLN 67 -9.152 8.845 -0.640
221 HA GLN 67 HA GLN 67 -8.956 11.604 -1.718
222 1HB GLN 67 2HB GLN 67 -10.390 10.352 -3.345
223 2HB GLN 67 1HB GLN 67 -11.433 9.823 -2.028
224 1HG GLN 67 2HG GLN 67 -12.240 12.024 -1.626
225 2HG GLN 67 1HG GLN 67 -10.919 12.765 -2.524
226 1HE2 GLN 67 2HE2 GLN 67 -12.407 12.148 -5.726
227 2HE2 GLN 67 1HE2 GLN 67 -10.922 12.384 -4.939
228 H GLU 68 H GLU 68 -8.458 11.998 0.513
229 HA GLU 68 HA GLU 68 -10.812 11.788 2.377
230 1HB GLU 68 2HB GLU 68 -8.571 10.761 3.054
231 2HB GLU 68 1HB GLU 68 -7.878 12.378 3.026
232 1HG GLU 68 2HG GLU 68 -9.365 13.129 4.778
233 2HG GLU 68 1HG GLU 68 -10.312 11.647 4.686
234 H LYS 69 H LYS 69 -8.070 13.992 1.729
235 HA LYS 69 HA LYS 69 -9.726 16.268 2.686
236 1HB LYS 69 2HB LYS 69 -7.324 16.060 3.382
237 2HB LYS 69 1HB LYS 69 -6.828 16.144 1.698
238 1HG LYS 69 2HG LYS 69 -7.624 18.394 1.473
239 2HG LYS 69 1HG LYS 69 -8.499 18.316 2.997
240 1HD LYS 69 2HD LYS 69 -5.501 17.885 2.990
241 2HD LYS 69 1HD LYS 69 -6.129 19.523 2.882
242 1HE LYS 69 2HE LYS 69 -7.490 19.090 4.952
243 2HE LYS 69 1HE LYS 69 -6.716 17.518 5.090
244 1HZ LYS 69 1HZ LYS 69 -5.004 19.870 4.824
245 2HZ LYS 69 3HZ LYS 69 -5.779 19.613 6.313
246 3HZ LYS 69 2HZ LYS 69 -4.742 18.426 5.679
247 H ALA 70 H ALA 70 -10.805 17.537 1.340
248 HA ALA 70 HA ALA 70 -10.884 17.098 -1.481
249 1HB ALA 70 1HB ALA 70 -11.706 19.553 0.151
250 2HB ALA 70 3HB ALA 70 -12.210 19.233 -1.506
251 3HB ALA 70 2HB ALA 70 -12.737 18.171 -0.205
No H/Q in entry = 251
Start of MODEL 31
1 1H ASP 39 1H ASP 39 -10.863 -14.297 -5.771
2 2H ASP 39 3H ASP 39 -10.512 -15.922 -6.118
3 3H ASP 39 2H ASP 39 -9.289 -14.893 -5.540
4 HA ASP 39 HA ASP 39 -8.831 -15.016 -7.781
5 1HB ASP 39 2HB ASP 39 -10.712 -14.681 -9.478
6 2HB ASP 39 1HB ASP 39 -10.885 -16.152 -8.524
7 H ARG 40 H ARG 40 -9.121 -12.931 -5.757
8 HA ARG 40 HA ARG 40 -9.117 -10.587 -5.585
9 1HB ARG 40 2HB ARG 40 -7.932 -11.121 -8.352
10 2HB ARG 40 1HB ARG 40 -7.917 -9.531 -7.605
11 1HG ARG 40 2HG ARG 40 -5.826 -10.349 -6.926
12 2HG ARG 40 1HG ARG 40 -6.817 -10.808 -5.551
13 1HD ARG 40 2HD ARG 40 -7.029 -13.088 -6.386
14 2HD ARG 40 1HD ARG 40 -6.250 -12.653 -7.905
15 HE ARG 40 HE ARG 40 -4.153 -12.746 -6.805
16 1HH1 ARG 40 HH1 ARG 40 -5.083 -11.001 -4.503
17 2HH1 ARG 40 HH1 ARG 40 -4.874 -12.067 -3.154
18 1HH2 ARG 40 HH2 ARG 40 -4.616 -14.912 -5.186
19 2HH2 ARG 40 HH2 ARG 40 -4.602 -14.340 -3.551
20 HA PRO 41 HA PRO 41 -12.989 -10.358 -8.256
21 1HB PRO 41 2HB PRO 41 -14.306 -9.338 -5.804
22 2HB PRO 41 1HB PRO 41 -14.738 -10.754 -6.773
23 1HG PRO 41 2HG PRO 41 -13.466 -10.761 -4.189
24 2HG PRO 41 1HG PRO 41 -13.749 -12.165 -5.229
25 1HD PRO 41 1HD PRO 41 -11.215 -10.833 -4.671
26 2HD PRO 41 2HD PRO 41 -11.484 -12.292 -5.631
27 H TYR 42 H TYR 42 -10.949 -8.366 -6.447
28 HA TYR 42 HA TYR 42 -11.965 -5.977 -7.792
29 1HB TYR 42 2HB TYR 42 -11.255 -6.376 -4.832
30 2HB TYR 42 1HB TYR 42 -11.283 -4.786 -5.590
31 HD1 TYR 42 HD2 TYR 42 -13.431 -4.015 -6.734
32 HD2 TYR 42 HD1 TYR 42 -13.296 -7.363 -4.116
33 HE1 TYR 42 HE2 TYR 42 -15.832 -3.781 -6.319
34 HE2 TYR 42 HE1 TYR 42 -15.698 -7.131 -3.700
35 HH TYR 42 HH TYR 42 -17.491 -4.402 -4.664
36 H SER 43 H SER 43 -10.318 -4.354 -7.013
37 HA SER 43 HA SER 43 -7.618 -4.676 -6.620
38 1HB SER 43 2HB SER 43 -6.973 -4.531 -9.275
39 2HB SER 43 1HB SER 43 -7.217 -6.105 -8.499
40 HG SER 43 HG SER 43 -9.451 -4.680 -9.393
41 H CYS 44 H CYS 44 -7.909 -2.579 -5.791
42 HA CYS 44 HA CYS 44 -9.100 -0.420 -7.170
43 1HB CYS 44 2HB CYS 44 -8.515 -0.255 -4.826
44 2HB CYS 44 1HB CYS 44 -6.832 -0.564 -5.158
45 H ASP 45 H ASP 45 -8.217 1.282 -8.396
46 HA ASP 45 HA ASP 45 -5.497 0.793 -9.573
47 1HB ASP 45 2HB ASP 45 -8.084 1.412 -11.098
48 2HB ASP 45 1HB ASP 45 -6.482 1.341 -11.827
49 H HIS 46 H HIS 46 -5.811 2.631 -7.640
50 HA HIS 46 HA HIS 46 -6.408 5.245 -8.841
51 1HB HIS 46 2HB HIS 46 -7.042 4.946 -6.510
52 2HB HIS 46 1HB HIS 46 -5.462 4.294 -6.096
53 HD1 HIS 46 HD1 HIS 46 -7.099 7.486 -6.794
54 HD2 HIS 46 HD2 HIS 46 -3.445 6.175 -5.633
55 HE1 HIS 46 HE1 HIS 46 -5.922 9.486 -6.098
56 HA PRO 47 HA PRO 47 -2.268 5.923 -10.345
57 1HB PRO 47 2HB PRO 47 -2.237 8.745 -9.433
58 2HB PRO 47 1HB PRO 47 -2.308 8.125 -11.089
59 1HG PRO 47 2HG PRO 47 -4.484 9.276 -9.550
60 2HG PRO 47 1HG PRO 47 -4.565 8.615 -11.190
61 1HD PRO 47 1HD PRO 47 -5.659 7.443 -8.785
62 2HD PRO 47 2HD PRO 47 -5.661 6.742 -10.413
63 H GLY 48 H GLY 48 -0.538 5.210 -9.294
64 1HA GLY 48 2HA GLY 48 1.244 5.255 -7.720
65 2HA GLY 48 1HA GLY 48 0.417 6.549 -6.858
66 H CYS 49 H CYS 49 -0.847 3.354 -7.761
67 HA CYS 49 HA CYS 49 -0.946 2.623 -4.842
68 1HB CYS 49 2HB CYS 49 -3.172 3.421 -5.595
69 2HB CYS 49 1HB CYS 49 -3.142 2.309 -6.932
70 H ASP 50 H ASP 50 -1.266 0.359 -4.468
71 HA ASP 50 HA ASP 50 -0.941 -1.558 -6.615
72 1HB ASP 50 2HB ASP 50 1.396 -0.448 -6.270
73 2HB ASP 50 1HB ASP 50 1.433 -1.274 -4.714
74 H LYS 51 H LYS 51 -2.425 -0.919 -4.042
75 HA LYS 51 HA LYS 51 -1.766 -3.266 -2.365
76 1HB LYS 51 2HB LYS 51 -3.886 -1.086 -2.106
77 2HB LYS 51 1HB LYS 51 -3.624 -2.355 -0.917
78 1HG LYS 51 2HG LYS 51 -1.088 -1.463 -1.036
79 2HG LYS 51 1HG LYS 51 -1.871 0.005 -1.606
80 1HD LYS 51 2HD LYS 51 -3.415 -0.228 0.460
81 2HD LYS 51 1HD LYS 51 -2.250 -1.407 1.047
82 1HE LYS 51 2HE LYS 51 -1.752 0.872 1.908
83 2HE LYS 51 1HE LYS 51 -0.448 0.263 0.896
84 1HZ LYS 51 2HZ LYS 51 -2.309 1.586 -0.728
85 2HZ LYS 51 1HZ LYS 51 -1.919 2.601 0.577
86 3HZ LYS 51 3HZ LYS 51 -0.689 1.993 -0.424
87 H ALA 52 H ALA 52 -2.338 -4.917 -3.880
88 HA ALA 52 HA ALA 52 -4.788 -5.200 -5.232
89 1HB ALA 52 2HB ALA 52 -3.138 -7.347 -3.808
90 2HB ALA 52 1HB ALA 52 -4.375 -7.675 -5.017
91 3HB ALA 52 3HB ALA 52 -2.910 -6.811 -5.469
92 H PHE 53 H PHE 53 -6.542 -6.767 -4.648
93 HA PHE 53 HA PHE 53 -7.115 -6.860 -1.726
94 1HB PHE 53 2HB PHE 53 -8.654 -5.261 -3.812
95 2HB PHE 53 1HB PHE 53 -9.518 -5.905 -2.408
96 HD1 PHE 53 HD2 PHE 53 -8.202 -5.523 -0.097
97 HD2 PHE 53 HD1 PHE 53 -7.655 -3.137 -3.586
98 HE1 PHE 53 HE2 PHE 53 -7.190 -3.755 1.261
99 HE2 PHE 53 HE1 PHE 53 -6.643 -1.372 -2.209
100 HZ PHE 53 HZ PHE 53 -6.399 -1.694 0.214
101 H VAL 54 H VAL 54 -8.565 -8.343 -1.089
102 HA VAL 54 HA VAL 54 -9.555 -10.264 -3.176
103 HB VAL 54 HB VAL 54 -8.531 -10.798 -0.338
104 1HG1 VAL 54 2HG1 VAL 54 -9.807 -12.577 -2.431
105 2HG1 VAL 54 1HG1 VAL 54 -8.807 -13.230 -1.138
106 3HG1 VAL 54 3HG1 VAL 54 -10.290 -12.364 -0.750
107 1HG2 VAL 54 3HG2 VAL 54 -6.837 -10.327 -2.193
108 2HG2 VAL 54 2HG2 VAL 54 -6.669 -11.888 -1.397
109 3HG2 VAL 54 1HG2 VAL 54 -7.428 -11.787 -2.982
110 H ARG 55 H ARG 55 -10.112 -8.571 -0.180
111 HA ARG 55 HA ARG 55 -12.845 -9.730 0.075
112 1HB ARG 55 2HB ARG 55 -10.827 -8.687 1.905
113 2HB ARG 55 1HB ARG 55 -12.224 -7.639 2.066
114 1HG ARG 55 2HG ARG 55 -12.605 -9.382 3.643
115 2HG ARG 55 1HG ARG 55 -13.617 -9.818 2.271
116 1HD ARG 55 2HD ARG 55 -11.812 -11.323 1.440
117 2HD ARG 55 1HD ARG 55 -10.835 -10.904 2.846
118 HE ARG 55 HE ARG 55 -13.417 -11.867 3.683
119 1HH1 ARG 55 HH1 ARG 55 -10.910 -12.641 5.007
120 2HH1 ARG 55 HH1 ARG 55 -10.698 -14.292 4.530
121 1HH2 ARG 55 HH2 ARG 55 -12.976 -14.029 1.878
122 2HH2 ARG 55 HH2 ARG 55 -11.899 -15.098 2.711
123 H ASN 56 H ASN 56 -13.931 -7.322 1.326
124 HA ASN 56 HA ASN 56 -14.062 -5.445 -1.021
125 1HB ASN 56 2HB ASN 56 -16.032 -7.134 -0.847
126 2HB ASN 56 1HB ASN 56 -16.493 -6.287 0.629
127 1HD2 ASN 56 HD2 ASN 56 -16.468 -3.899 -2.715
128 2HD2 ASN 56 HD2 ASN 56 -15.133 -4.894 -2.387
129 H HIS 57 H HIS 57 -14.333 -5.926 2.439
130 HA HIS 57 HA HIS 57 -15.126 -3.186 2.984
131 1HB HIS 57 2HB HIS 57 -13.571 -4.994 4.901
132 2HB HIS 57 1HB HIS 57 -14.786 -3.781 5.299
133 HD1 HIS 57 HD1 HIS 57 -14.582 -7.191 5.137
134 HD2 HIS 57 HD2 HIS 57 -17.395 -4.595 3.804
135 HE1 HIS 57 HE1 HIS 57 -16.579 -8.534 4.874
136 H ASP 58 H ASP 58 -11.995 -4.892 3.342
137 HA ASP 58 HA ASP 58 -10.472 -2.646 4.063
138 1HB ASP 58 2HB ASP 58 -9.814 -5.221 3.662
139 2HB ASP 58 1HB ASP 58 -9.357 -4.656 2.056
140 H LEU 59 H LEU 59 -11.640 -3.695 0.932
141 HA LEU 59 HA LEU 59 -10.162 -1.810 -0.690
142 1HB LEU 59 2HB LEU 59 -11.280 -3.823 -1.600
143 2HB LEU 59 1HB LEU 59 -12.843 -3.252 -1.052
144 HG LEU 59 HG LEU 59 -12.745 -1.356 -2.612
145 1HD1 LEU 59 HD1 LEU 59 -9.956 -2.439 -3.112
146 2HD1 LEU 59 HD1 LEU 59 -10.768 -1.462 -4.329
147 3HD1 LEU 59 HD1 LEU 59 -10.433 -0.784 -2.746
148 1HD2 LEU 59 HD2 LEU 59 -12.284 -4.138 -3.652
149 2HD2 LEU 59 HD2 LEU 59 -13.773 -3.212 -3.617
150 3HD2 LEU 59 HD2 LEU 59 -12.522 -2.818 -4.786
151 H ILE 60 H ILE 60 -13.233 -1.721 1.045
152 HA ILE 60 HA ILE 60 -14.055 0.801 -0.087
153 HB ILE 60 HB ILE 60 -14.911 -0.837 2.341
154 1HG1 ILE 60 2HG1 ILE 60 -16.477 -0.015 -0.137
155 2HG1 ILE 60 1HG1 ILE 60 -15.505 -1.474 -0.077
156 1HG2 ILE 60 3HG2 ILE 60 -15.894 1.912 1.393
157 2HG2 ILE 60 2HG2 ILE 60 -16.887 0.867 2.403
158 3HG2 ILE 60 1HG2 ILE 60 -15.355 1.475 3.011
159 1HD1 ILE 60 HD1 ILE 60 -16.922 -1.914 2.166
160 2HD1 ILE 60 HD1 ILE 60 -18.067 -0.842 1.369
161 3HD1 ILE 60 HD1 ILE 60 -17.573 -2.338 0.589
162 H ARG 61 H ARG 61 -12.572 -0.169 2.968
163 HA ARG 61 HA ARG 61 -12.319 2.581 3.884
164 1HB ARG 61 2HB ARG 61 -11.111 -0.074 4.799
165 2HB ARG 61 1HB ARG 61 -10.778 1.447 5.619
166 1HG ARG 61 2HG ARG 61 -13.301 1.748 5.839
167 2HG ARG 61 1HG ARG 61 -13.469 0.090 5.275
168 1HD ARG 61 2HD ARG 61 -12.102 -0.714 7.154
169 2HD ARG 61 1HD ARG 61 -11.843 0.943 7.697
170 HE ARG 61 HE ARG 61 -14.137 -0.625 8.327
171 1HH1 ARG 61 HH2 ARG 61 -15.938 0.775 6.879
172 2HH1 ARG 61 HH2 ARG 61 -16.146 2.323 7.628
173 1HH2 ARG 61 HH1 ARG 61 -13.161 2.066 9.448
174 2HH2 ARG 61 HH1 ARG 61 -14.531 3.074 9.121
175 H HIS 62 H HIS 62 -10.681 0.696 1.643
176 HA HIS 62 HA HIS 62 -8.059 2.013 2.037
177 1HB HIS 62 2HB HIS 62 -7.893 -0.312 1.386
178 2HB HIS 62 1HB HIS 62 -9.117 -0.104 0.163
179 HD1 HIS 62 HD1 HIS 62 -5.578 0.388 0.643
180 HD2 HIS 62 HD2 HIS 62 -8.336 1.095 -2.254
181 HE1 HIS 62 HE1 HIS 62 -4.266 1.065 -1.282
182 H LYS 63 H LYS 63 -10.649 1.850 -0.380
183 HA LYS 63 HA LYS 63 -9.435 3.590 -2.271
184 1HB LYS 63 2HB LYS 63 -11.505 2.137 -2.597
185 2HB LYS 63 1HB LYS 63 -12.412 3.327 -1.672
186 1HG LYS 63 2HG LYS 63 -11.649 5.084 -3.325
187 2HG LYS 63 1HG LYS 63 -10.946 3.790 -4.289
188 1HD LYS 63 2HD LYS 63 -13.280 2.698 -4.224
189 2HD LYS 63 1HD LYS 63 -13.864 4.246 -3.623
190 1HE LYS 63 2HE LYS 63 -14.129 4.326 -6.004
191 2HE LYS 63 1HE LYS 63 -12.720 5.315 -5.642
192 1HZ LYS 63 3HZ LYS 63 -11.844 2.694 -5.973
193 2HZ LYS 63 2HZ LYS 63 -12.885 3.041 -7.270
194 3HZ LYS 63 1HZ LYS 63 -11.541 4.035 -6.971
195 H LYS 64 H LYS 64 -11.890 4.391 0.202
196 HA LYS 64 HA LYS 64 -11.833 7.182 -0.323
197 1HB LYS 64 2HB LYS 64 -12.901 7.422 1.869
198 2HB LYS 64 1HB LYS 64 -13.515 5.940 1.146
199 1HG LYS 64 2HG LYS 64 -11.586 4.752 2.418
200 2HG LYS 64 1HG LYS 64 -11.460 6.241 3.348
201 1HD LYS 64 2HD LYS 64 -13.904 4.455 3.090
202 2HD LYS 64 1HD LYS 64 -12.951 4.739 4.542
203 1HE LYS 64 2HE LYS 64 -13.552 7.229 4.253
204 2HE LYS 64 1HE LYS 64 -14.757 6.686 3.091
205 1HZ LYS 64 2HZ LYS 64 -14.878 5.159 5.479
206 2HZ LYS 64 1HZ LYS 64 -15.038 6.815 5.814
207 3HZ LYS 64 3HZ LYS 64 -16.094 6.067 4.715
208 H SER 65 H SER 65 -9.366 5.247 0.739
209 HA SER 65 HA SER 65 -8.122 7.187 2.569
210 1HB SER 65 2HB SER 65 -6.590 4.871 1.315
211 2HB SER 65 1HB SER 65 -6.567 5.451 2.993
212 HG SER 65 HG SER 65 -8.862 4.355 1.748
213 H HIS 66 H HIS 66 -8.229 6.614 -0.803
214 HA HIS 66 HA HIS 66 -5.636 7.754 -1.439
215 1HB HIS 66 2HB HIS 66 -8.147 7.005 -2.984
216 2HB HIS 66 1HB HIS 66 -6.944 8.015 -3.784
217 HD1 HIS 66 HD1 HIS 66 -4.443 6.842 -3.221
218 HD2 HIS 66 HD2 HIS 66 -7.646 4.374 -3.517
219 HE1 HIS 66 HE1 HIS 66 -3.502 4.662 -3.668
220 H GLN 67 H GLN 67 -7.500 9.262 0.317
221 HA GLN 67 HA GLN 67 -7.438 11.854 -1.190
222 1HB GLN 67 2HB GLN 67 -9.599 10.859 0.746
223 2HB GLN 67 1HB GLN 67 -9.560 12.459 0.012
224 1HG GLN 67 2HG GLN 67 -9.620 9.877 -1.586
225 2HG GLN 67 1HG GLN 67 -11.057 10.820 -1.198
226 1HE2 GLN 67 2HE2 GLN 67 -8.717 11.953 -4.269
227 2HE2 GLN 67 1HE2 GLN 67 -8.500 10.487 -3.443
228 H GLU 68 H GLU 68 -5.407 12.101 -0.122
229 HA GLU 68 HA GLU 68 -3.984 12.642 1.678
230 1HB GLU 68 2HB GLU 68 -4.742 14.747 2.796
231 2HB GLU 68 1HB GLU 68 -5.079 14.812 1.075
232 1HG GLU 68 2HG GLU 68 -7.425 14.373 1.428
233 2HG GLU 68 1HG GLU 68 -7.160 13.950 3.116
234 H LYS 69 H LYS 69 -4.689 13.664 4.242
235 HA LYS 69 HA LYS 69 -4.610 11.430 5.857
236 1HB LYS 69 2HB LYS 69 -5.761 12.900 7.620
237 2HB LYS 69 1HB LYS 69 -4.384 13.655 6.826
238 1HG LYS 69 2HG LYS 69 -5.801 14.969 5.409
239 2HG LYS 69 1HG LYS 69 -7.223 14.025 5.835
240 1HD LYS 69 2HD LYS 69 -7.021 14.822 8.186
241 2HD LYS 69 1HD LYS 69 -5.641 15.807 7.716
242 1HE LYS 69 2HE LYS 69 -6.985 17.168 6.270
243 2HE LYS 69 1HE LYS 69 -8.339 16.049 6.364
244 1HZ LYS 69 1HZ LYS 69 -7.519 16.966 8.938
245 2HZ LYS 69 3HZ LYS 69 -7.957 18.250 7.917
246 3HZ LYS 69 2HZ LYS 69 -9.057 16.991 8.217
247 H ALA 70 H ALA 70 -6.143 10.262 7.098
248 HA ALA 70 HA ALA 70 -8.452 9.442 5.583
249 1HB ALA 70 1HB ALA 70 -7.226 7.932 7.160
250 2HB ALA 70 3HB ALA 70 -7.723 8.940 8.515
251 3HB ALA 70 2HB ALA 70 -8.927 8.036 7.602
No H/Q in entry = 251
Start of MODEL 32
1 1H ASP 39 1H ASP 39 -7.318 -13.828 -8.834
2 2H ASP 39 3H ASP 39 -8.024 -15.172 -9.596
3 3H ASP 39 2H ASP 39 -8.270 -13.612 -10.223
4 HA ASP 39 HA ASP 39 -10.221 -13.847 -9.147
5 1HB ASP 39 2HB ASP 39 -8.615 -15.567 -7.196
6 2HB ASP 39 1HB ASP 39 -10.277 -15.081 -6.865
7 H ARG 40 H ARG 40 -9.824 -11.592 -9.013
8 HA ARG 40 HA ARG 40 -9.556 -10.661 -6.211
9 1HB ARG 40 2HB ARG 40 -7.720 -9.836 -8.509
10 2HB ARG 40 1HB ARG 40 -7.914 -8.845 -7.067
11 1HG ARG 40 2HG ARG 40 -7.289 -10.899 -5.700
12 2HG ARG 40 1HG ARG 40 -6.867 -11.688 -7.215
13 1HD ARG 40 2HD ARG 40 -5.660 -9.115 -6.141
14 2HD ARG 40 1HD ARG 40 -4.855 -10.680 -6.236
15 HE ARG 40 HE ARG 40 -5.293 -8.837 -8.465
16 1HH1 ARG 40 HH1 ARG 40 -3.310 -11.187 -7.459
17 2HH1 ARG 40 HH1 ARG 40 -3.275 -12.119 -8.919
18 1HH2 ARG 40 HH2 ARG 40 -5.956 -10.363 -10.341
19 2HH2 ARG 40 HH2 ARG 40 -4.813 -11.639 -10.594
20 HA PRO 41 HA PRO 41 -12.711 -8.578 -8.997
21 1HB PRO 41 2HB PRO 41 -14.495 -8.787 -6.637
22 2HB PRO 41 1HB PRO 41 -14.754 -9.421 -8.268
23 1HG PRO 41 2HG PRO 41 -14.100 -10.955 -5.936
24 2HG PRO 41 1HG PRO 41 -14.109 -11.546 -7.604
25 1HD PRO 41 1HD PRO 41 -11.795 -10.979 -5.891
26 2HD PRO 41 2HD PRO 41 -11.814 -11.749 -7.488
27 H TYR 42 H TYR 42 -11.006 -8.041 -6.187
28 HA TYR 42 HA TYR 42 -11.919 -5.185 -6.057
29 1HB TYR 42 2HB TYR 42 -11.022 -7.032 -3.762
30 2HB TYR 42 1HB TYR 42 -11.285 -5.296 -3.606
31 HD1 TYR 42 HD1 TYR 42 -13.535 -4.317 -4.006
32 HD2 TYR 42 HD2 TYR 42 -12.933 -8.523 -3.937
33 HE1 TYR 42 HE1 TYR 42 -15.949 -4.653 -3.801
34 HE2 TYR 42 HE2 TYR 42 -15.348 -8.863 -3.728
35 HH TYR 42 HH TYR 42 -17.507 -7.279 -4.475
36 H SER 43 H SER 43 -10.283 -4.805 -7.595
37 HA SER 43 HA SER 43 -7.538 -4.622 -6.366
38 1HB SER 43 2HB SER 43 -6.704 -4.854 -8.762
39 2HB SER 43 1HB SER 43 -7.601 -6.290 -8.237
40 HG SER 43 HG SER 43 -9.495 -4.922 -9.029
41 H CYS 44 H CYS 44 -7.624 -2.514 -5.718
42 HA CYS 44 HA CYS 44 -8.909 -0.409 -7.151
43 1HB CYS 44 2HB CYS 44 -8.293 0.238 -4.998
44 2HB CYS 44 1HB CYS 44 -6.775 -0.614 -5.057
45 H ASP 45 H ASP 45 -7.833 1.406 -8.198
46 HA ASP 45 HA ASP 45 -5.282 0.817 -9.577
47 1HB ASP 45 2HB ASP 45 -6.424 1.269 -11.832
48 2HB ASP 45 1HB ASP 45 -6.895 -0.256 -11.089
49 H HIS 46 H HIS 46 -5.582 2.745 -7.762
50 HA HIS 46 HA HIS 46 -6.282 5.260 -9.150
51 1HB HIS 46 2HB HIS 46 -7.065 4.957 -6.833
52 2HB HIS 46 1HB HIS 46 -5.437 4.568 -6.292
53 HD1 HIS 46 HD1 HIS 46 -7.245 7.464 -7.717
54 HD2 HIS 46 HD2 HIS 46 -3.989 6.688 -5.453
55 HE1 HIS 46 HE1 HIS 46 -6.450 9.645 -7.026
56 HA PRO 47 HA PRO 47 -2.026 5.883 -10.391
57 1HB PRO 47 2HB PRO 47 -2.191 8.802 -9.890
58 2HB PRO 47 1HB PRO 47 -2.068 7.956 -11.438
59 1HG PRO 47 2HG PRO 47 -4.429 9.202 -10.311
60 2HG PRO 47 1HG PRO 47 -4.320 8.297 -11.827
61 1HD PRO 47 1HD PRO 47 -5.595 7.450 -9.371
62 2HD PRO 47 2HD PRO 47 -5.439 6.523 -10.873
63 H GLY 48 H GLY 48 -0.300 5.535 -9.177
64 1HA GLY 48 2HA GLY 48 1.318 5.969 -7.480
65 2HA GLY 48 1HA GLY 48 0.229 7.155 -6.768
66 H CYS 49 H CYS 49 -0.640 3.820 -7.585
67 HA CYS 49 HA CYS 49 -0.556 3.095 -4.689
68 1HB CYS 49 2HB CYS 49 -2.870 4.025 -5.784
69 2HB CYS 49 1HB CYS 49 -3.034 2.353 -6.243
70 H ASP 50 H ASP 50 -0.540 0.843 -4.281
71 HA ASP 50 HA ASP 50 -0.466 -1.032 -6.572
72 1HB ASP 50 2HB ASP 50 1.936 -0.545 -4.729
73 2HB ASP 50 1HB ASP 50 1.834 -1.838 -5.921
74 H LYS 51 H LYS 51 -2.364 -1.352 -5.012
75 HA LYS 51 HA LYS 51 -1.651 -3.211 -2.778
76 1HB LYS 51 2HB LYS 51 -3.942 -2.727 -1.955
77 2HB LYS 51 1HB LYS 51 -3.034 -1.240 -2.154
78 1HG LYS 51 2HG LYS 51 -4.907 -2.311 -4.319
79 2HG LYS 51 1HG LYS 51 -5.442 -1.231 -3.063
80 1HD LYS 51 2HD LYS 51 -4.742 0.523 -4.317
81 2HD LYS 51 1HD LYS 51 -3.095 0.009 -4.103
82 1HE LYS 51 2HE LYS 51 -4.927 -0.433 -6.445
83 2HE LYS 51 1HE LYS 51 -3.248 0.046 -6.443
84 1HZ LYS 51 1HZ LYS 51 -3.330 -2.459 -5.338
85 2HZ LYS 51 3HZ LYS 51 -4.359 -2.529 -6.676
86 3HZ LYS 51 2HZ LYS 51 -2.746 -2.032 -6.865
87 H ALA 52 H ALA 52 -3.818 -4.483 -2.383
88 HA ALA 52 HA ALA 52 -5.091 -5.632 -4.701
89 1HB ALA 52 2HB ALA 52 -2.771 -6.615 -4.874
90 2HB ALA 52 1HB ALA 52 -2.985 -7.325 -3.278
91 3HB ALA 52 3HB ALA 52 -4.003 -7.845 -4.615
92 H PHE 53 H PHE 53 -6.741 -7.092 -4.104
93 HA PHE 53 HA PHE 53 -6.980 -7.818 -1.232
94 1HB PHE 53 2HB PHE 53 -8.924 -6.010 -2.728
95 2HB PHE 53 1HB PHE 53 -9.319 -6.764 -1.207
96 HD1 PHE 53 HD1 PHE 53 -7.400 -6.385 0.683
97 HD2 PHE 53 HD2 PHE 53 -8.004 -3.858 -2.692
98 HE1 PHE 53 HE1 PHE 53 -6.289 -4.528 1.855
99 HE2 PHE 53 HE2 PHE 53 -6.943 -2.013 -1.499
100 HZ PHE 53 HZ PHE 53 -6.061 -2.339 0.752
101 H VAL 54 H VAL 54 -9.496 -8.574 -1.075
102 HA VAL 54 HA VAL 54 -10.216 -10.285 -3.381
103 HB VAL 54 HB VAL 54 -10.406 -12.233 -1.565
104 1HG1 VAL 54 1HG1 VAL 54 -8.850 -12.231 -3.504
105 2HG1 VAL 54 3HG1 VAL 54 -7.690 -11.304 -2.558
106 3HG1 VAL 54 2HG1 VAL 54 -8.107 -12.945 -2.078
107 1HG2 VAL 54 2HG2 VAL 54 -9.818 -10.597 0.304
108 2HG2 VAL 54 1HG2 VAL 54 -8.864 -12.077 0.280
109 3HG2 VAL 54 3HG2 VAL 54 -8.181 -10.577 -0.339
110 H ARG 55 H ARG 55 -10.862 -9.124 -0.111
111 HA ARG 55 HA ARG 55 -13.714 -9.855 -0.278
112 1HB ARG 55 2HB ARG 55 -12.001 -8.376 1.780
113 2HB ARG 55 1HB ARG 55 -13.736 -8.598 1.978
114 1HG ARG 55 2HG ARG 55 -13.529 -10.975 2.071
115 2HG ARG 55 1HG ARG 55 -11.885 -10.935 1.444
116 1HD ARG 55 2HD ARG 55 -12.001 -11.319 3.934
117 2HD ARG 55 1HD ARG 55 -11.075 -9.884 3.492
118 HE ARG 55 HE ARG 55 -13.729 -9.023 3.885
119 1HH1 ARG 55 HH2 ARG 55 -14.162 -10.751 6.047
120 2HH1 ARG 55 HH2 ARG 55 -13.342 -10.040 7.397
121 1HH2 ARG 55 HH1 ARG 55 -11.364 -7.979 5.366
122 2HH2 ARG 55 HH1 ARG 55 -11.716 -8.428 7.001
123 H ASN 56 H ASN 56 -14.966 -7.722 0.893
124 HA ASN 56 HA ASN 56 -14.796 -5.667 -1.284
125 1HB ASN 56 2HB ASN 56 -16.997 -6.809 -0.926
126 2HB ASN 56 1HB ASN 56 -17.009 -6.262 0.748
127 1HD2 ASN 56 HD2 ASN 56 -16.973 -3.026 -1.709
128 2HD2 ASN 56 HD2 ASN 56 -15.676 -4.119 -1.678
129 H HIS 57 H HIS 57 -15.771 -5.593 2.147
130 HA HIS 57 HA HIS 57 -15.496 -2.930 2.717
131 1HB HIS 57 2HB HIS 57 -14.214 -5.029 4.525
132 2HB HIS 57 1HB HIS 57 -15.065 -3.564 5.009
133 HD1 HIS 57 HD1 HIS 57 -15.689 -6.989 4.090
134 HD2 HIS 57 HD2 HIS 57 -17.924 -3.648 4.618
135 HE1 HIS 57 HE1 HIS 57 -17.971 -7.791 4.218
136 H ASP 58 H ASP 58 -12.772 -5.175 2.353
137 HA ASP 58 HA ASP 58 -10.711 -3.486 3.257
138 1HB ASP 58 2HB ASP 58 -10.569 -5.265 0.770
139 2HB ASP 58 1HB ASP 58 -9.233 -4.809 1.821
140 H LEU 59 H LEU 59 -12.166 -3.670 0.017
141 HA LEU 59 HA LEU 59 -10.537 -1.611 -1.161
142 1HB LEU 59 2HB LEU 59 -12.518 -3.377 -2.045
143 2HB LEU 59 1HB LEU 59 -13.425 -1.875 -2.062
144 HG LEU 59 HG LEU 59 -12.373 -2.292 -4.255
145 1HD1 LEU 59 HD1 LEU 59 -12.643 0.051 -3.375
146 2HD1 LEU 59 HD1 LEU 59 -10.979 -0.007 -2.811
147 3HD1 LEU 59 HD1 LEU 59 -11.325 -0.107 -4.532
148 1HD2 LEU 59 HD2 LEU 59 -10.250 -3.375 -2.854
149 2HD2 LEU 59 HD2 LEU 59 -10.158 -2.905 -4.545
150 3HD2 LEU 59 HD2 LEU 59 -9.578 -1.811 -3.291
151 H ILE 60 H ILE 60 -13.492 -1.513 0.774
152 HA ILE 60 HA ILE 60 -13.964 1.296 0.276
153 HB ILE 60 HB ILE 60 -14.943 -0.703 2.368
154 1HG1 ILE 60 2HG1 ILE 60 -17.088 -0.395 1.246
155 2HG1 ILE 60 1HG1 ILE 60 -16.425 0.891 0.246
156 1HG2 ILE 60 2HG2 ILE 60 -15.452 2.310 2.187
157 2HG2 ILE 60 1HG2 ILE 60 -16.595 1.233 2.985
158 3HG2 ILE 60 3HG2 ILE 60 -14.954 1.389 3.602
159 1HD1 ILE 60 HD1 ILE 60 -15.207 -1.874 0.242
160 2HD1 ILE 60 HD1 ILE 60 -16.572 -1.477 -0.796
161 3HD1 ILE 60 HD1 ILE 60 -15.052 -0.608 -0.971
162 H ARG 61 H ARG 61 -12.516 -0.488 2.972
163 HA ARG 61 HA ARG 61 -11.822 1.913 4.405
164 1HB ARG 61 2HB ARG 61 -12.006 -0.588 5.258
165 2HB ARG 61 1HB ARG 61 -10.348 -0.745 4.689
166 1HG ARG 61 2HG ARG 61 -9.867 1.397 6.066
167 2HG ARG 61 1HG ARG 61 -11.427 1.110 6.829
168 1HD ARG 61 2HD ARG 61 -9.936 -0.026 8.263
169 2HD ARG 61 1HD ARG 61 -10.509 -1.326 7.217
170 HE ARG 61 HE ARG 61 -8.323 -1.481 6.336
171 1HH1 ARG 61 HH1 ARG 61 -8.181 0.498 8.934
172 2HH1 ARG 61 HH1 ARG 61 -6.853 1.475 8.405
173 1HH2 ARG 61 HH2 ARG 61 -6.921 0.164 5.155
174 2HH2 ARG 61 HH2 ARG 61 -6.121 1.281 6.210
175 H HIS 62 H HIS 62 -10.486 0.234 1.730
176 HA HIS 62 HA HIS 62 -7.796 1.368 2.097
177 1HB HIS 62 2HB HIS 62 -7.810 -0.830 1.095
178 2HB HIS 62 1HB HIS 62 -9.066 -0.374 -0.029
179 HD1 HIS 62 HD1 HIS 62 -5.486 -0.057 0.432
180 HD2 HIS 62 HD2 HIS 62 -8.271 1.128 -2.255
181 HE1 HIS 62 HE1 HIS 62 -4.197 0.950 -1.356
182 H LYS 63 H LYS 63 -10.503 1.757 -0.194
183 HA LYS 63 HA LYS 63 -9.292 3.706 -1.851
184 1HB LYS 63 2HB LYS 63 -11.466 4.005 -2.747
185 2HB LYS 63 1HB LYS 63 -11.690 2.468 -1.952
186 1HG LYS 63 2HG LYS 63 -12.592 3.708 0.058
187 2HG LYS 63 1HG LYS 63 -12.516 5.191 -0.888
188 1HD LYS 63 2HD LYS 63 -13.949 4.071 -2.635
189 2HD LYS 63 1HD LYS 63 -14.146 2.719 -1.536
190 1HE LYS 63 2HE LYS 63 -14.865 5.585 -0.861
191 2HE LYS 63 1HE LYS 63 -16.022 4.373 -1.391
192 1HZ LYS 63 2HZ LYS 63 -14.315 4.166 1.023
193 2HZ LYS 63 1HZ LYS 63 -15.958 4.592 1.015
194 3HZ LYS 63 3HZ LYS 63 -15.481 3.037 0.523
195 H LYS 64 H LYS 64 -10.070 3.942 1.428
196 HA LYS 64 HA LYS 64 -10.933 6.565 1.809
197 1HB LYS 64 2HB LYS 64 -8.822 4.964 3.333
198 2HB LYS 64 1HB LYS 64 -9.474 6.489 3.917
199 1HG LYS 64 2HG LYS 64 -11.803 5.421 3.649
200 2HG LYS 64 1HG LYS 64 -10.961 3.893 3.443
201 1HD LYS 64 2HD LYS 64 -11.323 3.879 5.760
202 2HD LYS 64 1HD LYS 64 -9.717 4.594 5.685
203 1HE LYS 64 2HE LYS 64 -10.653 6.841 5.894
204 2HE LYS 64 1HE LYS 64 -12.292 6.215 5.773
205 1HZ LYS 64 1HZ LYS 64 -10.706 5.012 7.857
206 2HZ LYS 64 3HZ LYS 64 -11.002 6.671 8.072
207 3HZ LYS 64 2HZ LYS 64 -12.302 5.592 7.897
208 H SER 65 H SER 65 -7.600 5.472 1.293
209 HA SER 65 HA SER 65 -6.290 7.940 1.514
210 1HB SER 65 2HB SER 65 -5.817 5.528 -0.307
211 2HB SER 65 1HB SER 65 -4.713 6.917 -0.305
212 HG SER 65 HG SER 65 -5.290 6.404 2.203
213 H HIS 66 H HIS 66 -7.921 6.550 -1.314
214 HA HIS 66 HA HIS 66 -7.449 9.003 -2.883
215 1HB HIS 66 2HB HIS 66 -9.340 6.735 -3.657
216 2HB HIS 66 1HB HIS 66 -8.359 7.751 -4.710
217 HD1 HIS 66 HD1 HIS 66 -5.673 7.334 -3.531
218 HD2 HIS 66 HD2 HIS 66 -8.262 4.249 -3.914
219 HE1 HIS 66 HE1 HIS 66 -4.280 5.343 -3.603
220 H GLN 67 H GLN 67 -9.605 8.078 -0.548
221 HA GLN 67 HA GLN 67 -11.531 9.069 0.311
222 1HB GLN 67 2HB GLN 67 -11.510 11.013 -2.048
223 2HB GLN 67 1HB GLN 67 -12.151 11.270 -0.435
224 1HG GLN 67 2HG GLN 67 -9.659 10.905 0.345
225 2HG GLN 67 1HG GLN 67 -9.263 11.273 -1.329
226 1HE2 GLN 67 2HE2 GLN 67 -9.941 14.715 -1.044
227 2HE2 GLN 67 1HE2 GLN 67 -9.509 13.433 -2.070
228 H GLU 68 H GLU 68 -11.738 9.359 -3.216
229 HA GLU 68 HA GLU 68 -13.613 8.905 -4.615
230 1HB GLU 68 2HB GLU 68 -12.105 6.833 -4.400
231 2HB GLU 68 1HB GLU 68 -13.261 6.214 -3.229
232 1HG GLU 68 2HG GLU 68 -15.059 6.318 -4.902
233 2HG GLU 68 1HG GLU 68 -13.948 7.023 -6.075
234 H LYS 69 H LYS 69 -15.269 10.134 -3.564
235 HA LYS 69 HA LYS 69 -17.519 8.508 -2.763
236 1HB LYS 69 2HB LYS 69 -15.978 8.697 -0.659
237 2HB LYS 69 1HB LYS 69 -16.467 10.385 -0.600
238 1HG LYS 69 2HG LYS 69 -18.857 9.668 -0.547
239 2HG LYS 69 1HG LYS 69 -18.343 7.986 -0.544
240 1HD LYS 69 2HD LYS 69 -17.240 9.859 1.563
241 2HD LYS 69 1HD LYS 69 -18.872 9.229 1.753
242 1HE LYS 69 2HE LYS 69 -16.454 7.460 1.251
243 2HE LYS 69 1HE LYS 69 -17.074 7.820 2.856
244 1HZ LYS 69 1HZ LYS 69 -19.170 6.988 1.148
245 2HZ LYS 69 3HZ LYS 69 -17.922 5.836 1.144
246 3HZ LYS 69 2HZ LYS 69 -18.641 6.305 2.610
247 H ALA 70 H ALA 70 -19.024 9.540 -3.886
248 HA ALA 70 HA ALA 70 -18.895 12.409 -4.379
249 1HB ALA 70 1HB ALA 70 -21.013 10.278 -4.949
250 2HB ALA 70 3HB ALA 70 -21.163 11.951 -5.478
251 3HB ALA 70 2HB ALA 70 -19.855 10.946 -6.095
No H/Q in entry = 251
Start of MODEL 33
1 1H ASP 39 1H ASP 39 -6.910 -14.786 -6.334
2 2H ASP 39 3H ASP 39 -8.243 -15.161 -5.352
3 3H ASP 39 2H ASP 39 -7.954 -16.052 -6.768
4 HA ASP 39 HA ASP 39 -8.367 -14.123 -8.128
5 1HB ASP 39 2HB ASP 39 -10.278 -15.650 -7.293
6 2HB ASP 39 1HB ASP 39 -10.609 -14.427 -6.070
7 H ARG 40 H ARG 40 -8.824 -11.928 -8.293
8 HA ARG 40 HA ARG 40 -8.790 -10.328 -5.756
9 1HB ARG 40 2HB ARG 40 -6.943 -10.058 -8.174
10 2HB ARG 40 1HB ARG 40 -7.161 -8.756 -7.010
11 1HG ARG 40 2HG ARG 40 -6.309 -10.117 -5.208
12 2HG ARG 40 1HG ARG 40 -6.336 -11.562 -6.209
13 1HD ARG 40 2HD ARG 40 -4.518 -10.813 -7.545
14 2HD ARG 40 1HD ARG 40 -4.684 -9.150 -6.988
15 HE ARG 40 HE ARG 40 -4.068 -11.008 -4.825
16 1HH1 ARG 40 HH2 ARG 40 -2.496 -10.155 -7.647
17 2HH1 ARG 40 HH2 ARG 40 -1.089 -9.487 -6.889
18 1HH2 ARG 40 HH1 ARG 40 -2.471 -9.700 -3.677
19 2HH2 ARG 40 HH1 ARG 40 -1.075 -9.224 -4.583
20 HA PRO 41 HA PRO 41 -11.869 -8.883 -8.937
21 1HB PRO 41 2HB PRO 41 -13.928 -8.782 -6.868
22 2HB PRO 41 1HB PRO 41 -13.835 -9.905 -8.231
23 1HG PRO 41 2HG PRO 41 -13.346 -10.488 -5.419
24 2HG PRO 41 1HG PRO 41 -13.276 -11.615 -6.781
25 1HD PRO 41 1HD PRO 41 -11.045 -10.448 -5.296
26 2HD PRO 41 2HD PRO 41 -10.977 -11.650 -6.595
27 H TYR 42 H TYR 42 -10.694 -7.887 -5.874
28 HA TYR 42 HA TYR 42 -11.748 -5.102 -6.275
29 1HB TYR 42 2HB TYR 42 -10.629 -6.512 -3.787
30 2HB TYR 42 1HB TYR 42 -11.099 -4.815 -3.840
31 HD1 TYR 42 HD1 TYR 42 -13.523 -4.323 -4.719
32 HD2 TYR 42 HD2 TYR 42 -12.275 -8.106 -3.235
33 HE1 TYR 42 HE1 TYR 42 -15.862 -4.936 -4.319
34 HE2 TYR 42 HE2 TYR 42 -14.612 -8.720 -2.835
35 HH TYR 42 HH TYR 42 -17.267 -6.522 -3.682
36 H SER 43 H SER 43 -10.041 -5.079 -7.954
37 HA SER 43 HA SER 43 -7.305 -4.604 -6.822
38 1HB SER 43 2HB SER 43 -8.005 -4.541 -9.794
39 2HB SER 43 1HB SER 43 -6.497 -5.060 -9.015
40 HG SER 43 HG SER 43 -7.419 -6.962 -9.212
41 H CYS 44 H CYS 44 -8.098 -2.602 -5.847
42 HA CYS 44 HA CYS 44 -9.201 -0.397 -7.136
43 1HB CYS 44 2HB CYS 44 -8.777 -0.202 -4.810
44 2HB CYS 44 1HB CYS 44 -7.113 -0.690 -4.974
45 H ASP 45 H ASP 45 -8.588 1.008 -8.638
46 HA ASP 45 HA ASP 45 -5.741 0.895 -9.627
47 1HB ASP 45 2HB ASP 45 -7.524 0.093 -11.243
48 2HB ASP 45 1HB ASP 45 -8.290 1.676 -11.142
49 H HIS 46 H HIS 46 -6.130 2.510 -7.532
50 HA HIS 46 HA HIS 46 -6.936 5.177 -8.325
51 1HB HIS 46 2HB HIS 46 -7.210 4.781 -6.003
52 2HB HIS 46 1HB HIS 46 -5.739 3.828 -5.893
53 HD1 HIS 46 HD1 HIS 46 -6.905 6.964 -4.980
54 HD2 HIS 46 HD2 HIS 46 -3.318 5.608 -6.264
55 HE1 HIS 46 HE1 HIS 46 -5.318 8.627 -4.232
56 HA PRO 47 HA PRO 47 -3.217 6.550 -10.290
57 1HB PRO 47 2HB PRO 47 -3.070 9.091 -8.785
58 2HB PRO 47 1HB PRO 47 -3.530 8.846 -10.475
59 1HG PRO 47 2HG PRO 47 -5.288 9.406 -8.210
60 2HG PRO 47 1HG PRO 47 -5.743 9.219 -9.910
61 1HD PRO 47 1HD PRO 47 -6.278 7.363 -7.780
62 2HD PRO 47 2HD PRO 47 -6.560 7.101 -9.511
63 H GLY 48 H GLY 48 -1.656 5.202 -9.484
64 1HA GLY 48 2HA GLY 48 0.481 4.986 -8.411
65 2HA GLY 48 1HA GLY 48 0.045 6.293 -7.313
66 H CYS 49 H CYS 49 -1.150 3.024 -8.153
67 HA CYS 49 HA CYS 49 -1.301 2.424 -5.204
68 1HB CYS 49 2HB CYS 49 -3.544 2.776 -6.221
69 2HB CYS 49 1HB CYS 49 -3.189 1.579 -7.438
70 H ASP 50 H ASP 50 -1.274 0.143 -4.708
71 HA ASP 50 HA ASP 50 -0.398 -1.783 -6.673
72 1HB ASP 50 2HB ASP 50 1.942 -2.022 -5.825
73 2HB ASP 50 1HB ASP 50 1.684 -0.394 -6.448
74 H LYS 51 H LYS 51 -2.173 -1.327 -4.238
75 HA LYS 51 HA LYS 51 -1.265 -3.675 -2.599
76 1HB LYS 51 2HB LYS 51 -3.265 -1.503 -1.900
77 2HB LYS 51 1HB LYS 51 -2.714 -2.770 -0.825
78 1HG LYS 51 2HG LYS 51 -0.322 -1.854 -1.293
79 2HG LYS 51 1HG LYS 51 -1.136 -0.430 -1.929
80 1HD LYS 51 2HD LYS 51 -2.193 0.018 0.192
81 2HD LYS 51 1HD LYS 51 -1.701 -1.543 0.840
82 1HE LYS 51 2HE LYS 51 0.656 -0.888 0.723
83 2HE LYS 51 1HE LYS 51 0.218 0.644 -0.020
84 1HZ LYS 51 2HZ LYS 51 -1.246 0.846 2.115
85 2HZ LYS 51 1HZ LYS 51 -0.104 -0.239 2.749
86 3HZ LYS 51 3HZ LYS 51 0.399 1.266 2.140
87 H ALA 52 H ALA 52 -2.149 -5.104 -4.225
88 HA ALA 52 HA ALA 52 -4.858 -5.102 -5.054
89 1HB ALA 52 3HB ALA 52 -2.832 -7.333 -4.590
90 2HB ALA 52 2HB ALA 52 -4.453 -7.687 -5.177
91 3HB ALA 52 1HB ALA 52 -3.375 -6.669 -6.127
92 H PHE 53 H PHE 53 -6.554 -6.607 -4.339
93 HA PHE 53 HA PHE 53 -6.452 -7.253 -1.414
94 1HB PHE 53 2HB PHE 53 -8.397 -5.413 -2.856
95 2HB PHE 53 1HB PHE 53 -8.901 -6.242 -1.392
96 HD1 PHE 53 HD1 PHE 53 -7.674 -5.804 0.753
97 HD2 PHE 53 HD2 PHE 53 -6.827 -3.580 -2.783
98 HE1 PHE 53 HE1 PHE 53 -6.525 -4.097 2.095
99 HE2 PHE 53 HE2 PHE 53 -5.679 -1.880 -1.433
100 HZ PHE 53 HZ PHE 53 -5.530 -2.136 1.003
101 H VAL 54 H VAL 54 -8.826 -8.130 -0.899
102 HA VAL 54 HA VAL 54 -9.716 -10.002 -3.041
103 HB VAL 54 HB VAL 54 -9.121 -10.931 -0.188
104 1HG1 VAL 54 3HG1 VAL 54 -10.742 -12.210 -1.653
105 2HG1 VAL 54 2HG1 VAL 54 -9.414 -12.484 -2.778
106 3HG1 VAL 54 1HG1 VAL 54 -9.337 -13.146 -1.147
107 1HG2 VAL 54 1HG2 VAL 54 -7.369 -11.097 -2.663
108 2HG2 VAL 54 3HG2 VAL 54 -7.000 -10.223 -1.180
109 3HG2 VAL 54 2HG2 VAL 54 -7.068 -11.982 -1.171
110 H ARG 55 H ARG 55 -10.227 -8.478 0.088
111 HA ARG 55 HA ARG 55 -13.051 -9.352 0.171
112 1HB ARG 55 2HB ARG 55 -11.503 -7.423 1.994
113 2HB ARG 55 1HB ARG 55 -13.082 -8.115 2.334
114 1HG ARG 55 2HG ARG 55 -11.813 -9.675 3.502
115 2HG ARG 55 1HG ARG 55 -11.712 -10.435 1.919
116 1HD ARG 55 2HD ARG 55 -9.545 -9.364 1.499
117 2HD ARG 55 1HD ARG 55 -9.668 -8.452 3.000
118 HE ARG 55 HE ARG 55 -9.101 -10.423 4.209
119 1HH1 ARG 55 HH2 ARG 55 -11.021 -12.144 2.561
120 2HH1 ARG 55 HH2 ARG 55 -9.926 -13.285 1.854
121 1HH2 ARG 55 HH1 ARG 55 -7.105 -11.346 2.611
122 2HH2 ARG 55 HH1 ARG 55 -7.649 -12.820 1.883
123 H ASN 56 H ASN 56 -14.666 -7.540 0.708
124 HA ASN 56 HA ASN 56 -14.416 -5.508 -1.443
125 1HB ASN 56 2HB ASN 56 -16.534 -6.920 -0.998
126 2HB ASN 56 1HB ASN 56 -16.756 -5.975 0.471
127 1HD2 ASN 56 HD2 ASN 56 -16.677 -3.107 -2.231
128 2HD2 ASN 56 HD2 ASN 56 -15.324 -3.784 -1.460
129 H HIS 57 H HIS 57 -15.544 -5.412 1.942
130 HA HIS 57 HA HIS 57 -15.480 -2.658 2.314
131 1HB HIS 57 2HB HIS 57 -16.214 -3.630 4.308
132 2HB HIS 57 1HB HIS 57 -15.276 -5.090 4.038
133 HD1 HIS 57 HD1 HIS 57 -13.025 -5.125 5.159
134 HD2 HIS 57 HD2 HIS 57 -14.872 -1.570 5.771
135 HE1 HIS 57 HE1 HIS 57 -11.694 -4.030 6.854
136 H ASP 58 H ASP 58 -12.712 -4.897 2.589
137 HA ASP 58 HA ASP 58 -10.757 -3.111 3.495
138 1HB ASP 58 2HB ASP 58 -10.593 -5.334 1.401
139 2HB ASP 58 1HB ASP 58 -9.165 -4.510 2.021
140 H LEU 59 H LEU 59 -11.908 -3.603 0.185
141 HA LEU 59 HA LEU 59 -10.139 -1.685 -1.035
142 1HB LEU 59 2HB LEU 59 -11.867 -3.587 -1.976
143 2HB LEU 59 1HB LEU 59 -12.945 -2.210 -2.116
144 HG LEU 59 HG LEU 59 -11.739 -2.591 -4.226
145 1HD1 LEU 59 HD1 LEU 59 -12.294 -0.250 -3.329
146 2HD1 LEU 59 HD1 LEU 59 -10.589 -0.106 -2.947
147 3HD1 LEU 59 HD1 LEU 59 -11.094 -0.333 -4.612
148 1HD2 LEU 59 HD2 LEU 59 -9.597 -3.419 -2.737
149 2HD2 LEU 59 HD2 LEU 59 -9.443 -2.896 -4.408
150 3HD2 LEU 59 HD2 LEU 59 -9.068 -1.785 -3.101
151 H ILE 60 H ILE 60 -13.384 -1.450 0.361
152 HA ILE 60 HA ILE 60 -13.816 1.274 -0.420
153 HB ILE 60 HB ILE 60 -14.916 -0.133 2.062
154 1HG1 ILE 60 2HG1 ILE 60 -15.849 -0.271 -0.830
155 2HG1 ILE 60 1HG1 ILE 60 -15.232 -1.603 0.138
156 1HG2 ILE 60 3HG2 ILE 60 -15.314 2.404 1.580
157 2HG2 ILE 60 2HG2 ILE 60 -16.262 1.883 0.193
158 3HG2 ILE 60 1HG2 ILE 60 -16.759 1.429 1.820
159 1HD1 ILE 60 HD1 ILE 60 -17.164 -1.029 1.789
160 2HD1 ILE 60 HD1 ILE 60 -17.845 -0.118 0.444
161 3HD1 ILE 60 HD1 ILE 60 -17.583 -1.852 0.290
162 H ARG 61 H ARG 61 -12.310 -0.233 2.363
163 HA ARG 61 HA ARG 61 -11.954 2.328 3.745
164 1HB ARG 61 2HB ARG 61 -12.208 0.096 4.937
165 2HB ARG 61 1HB ARG 61 -10.653 -0.393 4.273
166 1HG ARG 61 2HG ARG 61 -9.549 1.487 5.409
167 2HG ARG 61 1HG ARG 61 -11.099 2.050 6.022
168 1HD ARG 61 2HD ARG 61 -10.081 -0.745 6.599
169 2HD ARG 61 1HD ARG 61 -9.676 0.624 7.633
170 HE ARG 61 HE ARG 61 -12.290 -0.673 7.453
171 1HH1 ARG 61 HH2 ARG 61 -10.440 1.040 9.477
172 2HH1 ARG 61 HH2 ARG 61 -11.630 2.193 9.981
173 1HH2 ARG 61 HH1 ARG 61 -13.888 1.260 7.467
174 2HH2 ARG 61 HH1 ARG 61 -13.633 2.321 8.812
175 H HIS 62 H HIS 62 -10.171 0.285 1.559
176 HA HIS 62 HA HIS 62 -7.639 1.654 2.048
177 1HB HIS 62 2HB HIS 62 -7.334 -0.617 1.363
178 2HB HIS 62 1HB HIS 62 -8.598 -0.507 0.159
179 HD1 HIS 62 HD1 HIS 62 -5.062 -0.014 0.528
180 HD2 HIS 62 HD2 HIS 62 -7.883 0.869 -2.246
181 HE1 HIS 62 HE1 HIS 62 -3.794 0.658 -1.428
182 H LYS 63 H LYS 63 -10.347 2.043 -0.050
183 HA LYS 63 HA LYS 63 -8.788 4.103 -1.635
184 1HB LYS 63 2HB LYS 63 -10.211 2.154 -2.724
185 2HB LYS 63 1HB LYS 63 -11.624 3.076 -2.245
186 1HG LYS 63 2HG LYS 63 -10.907 4.982 -3.573
187 2HG LYS 63 1HG LYS 63 -9.338 4.252 -3.876
188 1HD LYS 63 2HD LYS 63 -10.571 3.843 -5.868
189 2HD LYS 63 1HD LYS 63 -10.637 2.318 -4.997
190 1HE LYS 63 2HE LYS 63 -12.872 2.793 -4.191
191 2HE LYS 63 1HE LYS 63 -12.801 4.440 -4.803
192 1HZ LYS 63 2HZ LYS 63 -12.319 3.112 -7.028
193 2HZ LYS 63 1HZ LYS 63 -13.261 1.949 -6.224
194 3HZ LYS 63 3HZ LYS 63 -13.889 3.501 -6.509
195 H LYS 64 H LYS 64 -10.290 4.097 1.180
196 HA LYS 64 HA LYS 64 -12.493 5.773 1.207
197 1HB LYS 64 2HB LYS 64 -11.022 4.870 3.202
198 2HB LYS 64 1HB LYS 64 -10.134 6.376 3.014
199 1HG LYS 64 2HG LYS 64 -11.742 7.016 4.594
200 2HG LYS 64 1HG LYS 64 -12.556 7.477 3.104
201 1HD LYS 64 2HD LYS 64 -13.753 5.289 3.103
202 2HD LYS 64 1HD LYS 64 -12.954 4.862 4.612
203 1HE LYS 64 2HE LYS 64 -13.965 6.869 5.686
204 2HE LYS 64 1HE LYS 64 -14.804 7.232 4.183
205 1HZ LYS 64 1HZ LYS 64 -15.753 4.912 4.383
206 2HZ LYS 64 3HZ LYS 64 -15.197 4.929 5.987
207 3HZ LYS 64 2HZ LYS 64 -16.336 6.078 5.472
208 H SER 65 H SER 65 -9.394 6.315 0.344
209 HA SER 65 HA SER 65 -9.596 8.412 -1.413
210 1HB SER 65 2HB SER 65 -9.736 9.373 1.460
211 2HB SER 65 1HB SER 65 -8.619 10.264 0.411
212 HG SER 65 HG SER 65 -10.473 11.178 -0.136
213 H HIS 66 H HIS 66 -8.331 6.095 -0.865
214 HA HIS 66 HA HIS 66 -6.315 5.073 -0.706
215 1HB HIS 66 2HB HIS 66 -6.194 7.280 -2.528
216 2HB HIS 66 1HB HIS 66 -4.670 7.318 -1.650
217 HD1 HIS 66 HD1 HIS 66 -3.180 6.109 -3.238
218 HD2 HIS 66 HD2 HIS 66 -6.655 4.065 -2.785
219 HE1 HIS 66 HE1 HIS 66 -2.783 3.967 -4.296
220 H GLN 67 H GLN 67 -7.282 6.124 1.551
221 HA GLN 67 HA GLN 67 -5.305 7.698 2.980
222 1HB GLN 67 2HB GLN 67 -7.776 6.061 3.711
223 2HB GLN 67 1HB GLN 67 -6.773 6.769 4.973
224 1HG GLN 67 2HG GLN 67 -7.041 9.003 3.857
225 2HG GLN 67 1HG GLN 67 -8.157 8.250 2.726
226 1HE2 GLN 67 2HE2 GLN 67 -9.953 9.701 5.764
227 2HE2 GLN 67 1HE2 GLN 67 -8.748 10.354 4.762
228 H GLU 68 H GLU 68 -3.711 5.965 1.989
229 HA GLU 68 HA GLU 68 -3.216 3.426 2.829
230 1HB GLU 68 2HB GLU 68 -1.656 5.048 1.542
231 2HB GLU 68 1HB GLU 68 -1.070 5.575 3.115
232 1HG GLU 68 2HG GLU 68 -0.636 3.091 3.615
233 2HG GLU 68 1HG GLU 68 -0.892 2.809 1.895
234 H LYS 69 H LYS 69 -3.179 6.237 4.898
235 HA LYS 69 HA LYS 69 -1.887 4.866 7.126
236 1HB LYS 69 2HB LYS 69 -3.448 7.474 6.832
237 2HB LYS 69 1HB LYS 69 -2.840 6.930 8.392
238 1HG LYS 69 2HG LYS 69 -0.542 6.775 7.365
239 2HG LYS 69 1HG LYS 69 -1.199 7.500 5.902
240 1HD LYS 69 2HD LYS 69 -1.747 9.538 7.047
241 2HD LYS 69 1HD LYS 69 -1.463 8.807 8.624
242 1HE LYS 69 2HE LYS 69 0.711 9.043 6.530
243 2HE LYS 69 1HE LYS 69 0.419 10.295 7.731
244 1HZ LYS 69 2HZ LYS 69 0.692 7.546 8.676
245 2HZ LYS 69 1HZ LYS 69 2.098 8.339 8.148
246 3HZ LYS 69 3HZ LYS 69 1.173 9.001 9.409
247 H ALA 70 H ALA 70 -4.014 3.345 6.117
248 HA ALA 70 HA ALA 70 -5.956 2.226 6.798
249 1HB ALA 70 1HB ALA 70 -4.874 3.145 9.509
250 2HB ALA 70 3HB ALA 70 -6.060 1.866 9.279
251 3HB ALA 70 2HB ALA 70 -4.417 1.660 8.681
No H/Q in entry = 251
Start of MODEL 34
1 1H ASP 39 1H ASP 39 -9.273 -13.898 -8.222
2 2H ASP 39 3H ASP 39 -8.792 -15.045 -9.378
3 3H ASP 39 2H ASP 39 -9.154 -15.537 -7.794
4 HA ASP 39 HA ASP 39 -7.055 -15.327 -7.243
5 1HB ASP 39 2HB ASP 39 -6.645 -15.593 -9.761
6 2HB ASP 39 1HB ASP 39 -6.591 -13.837 -9.873
7 H ARG 40 H ARG 40 -7.830 -13.855 -5.630
8 HA ARG 40 HA ARG 40 -7.875 -11.804 -4.490
9 1HB ARG 40 2HB ARG 40 -5.296 -11.724 -6.117
10 2HB ARG 40 1HB ARG 40 -5.688 -10.475 -4.942
11 1HG ARG 40 2HG ARG 40 -5.769 -12.088 -3.147
12 2HG ARG 40 1HG ARG 40 -5.633 -13.430 -4.275
13 1HD ARG 40 2HD ARG 40 -3.382 -12.447 -4.987
14 2HD ARG 40 1HD ARG 40 -3.523 -11.347 -3.614
15 HE ARG 40 HE ARG 40 -3.831 -14.205 -2.957
16 1HH1 ARG 40 HH1 ARG 40 -2.698 -11.519 -1.627
17 2HH1 ARG 40 HH1 ARG 40 -1.092 -12.062 -1.269
18 1HH2 ARG 40 HH2 ARG 40 -1.403 -14.935 -3.254
19 2HH2 ARG 40 HH2 ARG 40 -0.341 -14.046 -2.215
20 HA PRO 41 HA PRO 41 -9.430 -9.536 -8.199
21 1HB PRO 41 2HB PRO 41 -12.001 -9.250 -6.748
22 2HB PRO 41 1HB PRO 41 -11.706 -10.079 -8.272
23 1HG PRO 41 2HG PRO 41 -12.291 -11.308 -5.772
24 2HG PRO 41 1HG PRO 41 -11.675 -12.133 -7.215
25 1HD PRO 41 1HD PRO 41 -10.220 -11.346 -4.754
26 2HD PRO 41 2HD PRO 41 -9.783 -12.544 -5.965
27 H TYR 42 H TYR 42 -11.452 -7.651 -7.037
28 HA TYR 42 HA TYR 42 -11.246 -5.335 -6.560
29 1HB TYR 42 2HB TYR 42 -10.615 -6.945 -4.044
30 2HB TYR 42 1HB TYR 42 -10.793 -5.192 -3.995
31 HD1 TYR 42 HD2 TYR 42 -12.962 -4.174 -4.894
32 HD2 TYR 42 HD1 TYR 42 -12.547 -8.331 -4.107
33 HE1 TYR 42 HE2 TYR 42 -15.399 -4.408 -4.868
34 HE2 TYR 42 HE1 TYR 42 -14.989 -8.566 -4.082
35 HH TYR 42 HH TYR 42 -17.006 -6.815 -3.566
36 H SER 43 H SER 43 -9.343 -5.204 -7.995
37 HA SER 43 HA SER 43 -6.778 -4.782 -6.526
38 1HB SER 43 2HB SER 43 -6.952 -6.148 -8.731
39 2HB SER 43 1HB SER 43 -7.220 -4.593 -9.541
40 HG SER 43 HG SER 43 -5.299 -3.839 -8.648
41 H CYS 44 H CYS 44 -7.316 -2.796 -5.506
42 HA CYS 44 HA CYS 44 -8.374 -0.560 -6.863
43 1HB CYS 44 2HB CYS 44 -8.191 -0.511 -4.470
44 2HB CYS 44 1HB CYS 44 -6.486 -0.881 -4.521
45 H ASP 45 H ASP 45 -7.498 1.031 -8.040
46 HA ASP 45 HA ASP 45 -4.545 1.006 -8.553
47 1HB ASP 45 2HB ASP 45 -5.766 -0.228 -10.407
48 2HB ASP 45 1HB ASP 45 -6.726 1.220 -10.700
49 H HIS 46 H HIS 46 -5.860 2.661 -6.848
50 HA HIS 46 HA HIS 46 -6.905 5.056 -7.880
51 1HB HIS 46 2HB HIS 46 -7.060 5.209 -5.562
52 2HB HIS 46 1HB HIS 46 -5.826 3.981 -5.377
53 HD1 HIS 46 HD1 HIS 46 -6.317 7.356 -4.648
54 HD2 HIS 46 HD2 HIS 46 -3.080 5.183 -5.703
55 HE1 HIS 46 HE1 HIS 46 -4.422 8.686 -3.918
56 HA PRO 47 HA PRO 47 -3.728 7.306 -9.811
57 1HB PRO 47 2HB PRO 47 -3.688 9.594 -7.921
58 2HB PRO 47 1HB PRO 47 -4.316 9.546 -9.569
59 1HG PRO 47 2HG PRO 47 -5.839 9.502 -7.078
60 2HG PRO 47 1HG PRO 47 -6.472 9.505 -8.730
61 1HD PRO 47 1HD PRO 47 -6.521 7.305 -6.905
62 2HD PRO 47 2HD PRO 47 -6.944 7.254 -8.616
63 H GLY 48 H GLY 48 -2.230 5.616 -9.024
64 1HA GLY 48 2HA GLY 48 0.158 5.582 -8.436
65 2HA GLY 48 1HA GLY 48 -0.163 6.765 -7.177
66 H CYS 49 H CYS 49 -1.123 3.418 -8.081
67 HA CYS 49 HA CYS 49 -0.289 2.385 -5.494
68 1HB CYS 49 2HB CYS 49 -2.307 3.300 -4.646
69 2HB CYS 49 1HB CYS 49 -3.217 2.880 -6.071
70 H ASP 50 H ASP 50 -0.788 0.120 -5.208
71 HA ASP 50 HA ASP 50 -1.783 -1.386 -7.522
72 1HB ASP 50 2HB ASP 50 0.612 -0.847 -8.125
73 2HB ASP 50 1HB ASP 50 1.141 -1.618 -6.631
74 H LYS 51 H LYS 51 -2.829 -1.360 -5.026
75 HA LYS 51 HA LYS 51 -1.768 -3.770 -3.612
76 1HB LYS 51 2HB LYS 51 -2.485 -1.408 -2.535
77 2HB LYS 51 1HB LYS 51 -4.095 -2.110 -2.583
78 1HG LYS 51 2HG LYS 51 -3.336 -2.810 -0.467
79 2HG LYS 51 1HG LYS 51 -2.933 -4.201 -1.466
80 1HD LYS 51 2HD LYS 51 -0.887 -3.868 -0.371
81 2HD LYS 51 1HD LYS 51 -0.625 -2.898 -1.811
82 1HE LYS 51 2HE LYS 51 -1.670 -0.957 -0.386
83 2HE LYS 51 1HE LYS 51 -1.272 -1.984 0.984
84 1HZ LYS 51 3HZ LYS 51 0.669 -1.171 -1.101
85 2HZ LYS 51 2HZ LYS 51 0.477 -0.375 0.387
86 3HZ LYS 51 1HZ LYS 51 1.005 -1.989 0.349
87 H ALA 52 H ALA 52 -2.842 -5.657 -3.517
88 HA ALA 52 HA ALA 52 -5.397 -5.886 -5.065
89 1HB ALA 52 3HB ALA 52 -3.451 -7.356 -5.702
90 2HB ALA 52 2HB ALA 52 -3.464 -8.044 -4.082
91 3HB ALA 52 1HB ALA 52 -4.831 -8.303 -5.161
92 H PHE 53 H PHE 53 -7.134 -7.239 -4.232
93 HA PHE 53 HA PHE 53 -7.009 -7.702 -1.260
94 1HB PHE 53 2HB PHE 53 -8.927 -5.922 -2.799
95 2HB PHE 53 1HB PHE 53 -9.481 -6.695 -1.321
96 HD1 PHE 53 HD1 PHE 53 -8.332 -6.179 0.845
97 HD2 PHE 53 HD2 PHE 53 -7.276 -4.143 -2.750
98 HE1 PHE 53 HE1 PHE 53 -7.159 -4.460 2.153
99 HE2 PHE 53 HE2 PHE 53 -6.116 -2.427 -1.432
100 HZ PHE 53 HZ PHE 53 -6.051 -2.589 1.017
101 H VAL 54 H VAL 54 -8.688 -9.076 -0.448
102 HA VAL 54 HA VAL 54 -9.724 -10.992 -2.522
103 HB VAL 54 HB VAL 54 -8.834 -11.402 0.379
104 1HG1 VAL 54 1HG1 VAL 54 -10.299 -13.237 -1.537
105 2HG1 VAL 54 3HG1 VAL 54 -9.321 -13.875 -0.219
106 3HG1 VAL 54 2HG1 VAL 54 -10.714 -12.858 0.133
107 1HG2 VAL 54 2HG2 VAL 54 -7.061 -11.268 -1.373
108 2HG2 VAL 54 1HG2 VAL 54 -7.156 -12.868 -0.646
109 3HG2 VAL 54 3HG2 VAL 54 -7.851 -12.584 -2.236
110 H ARG 55 H ARG 55 -10.639 -8.720 -0.185
111 HA ARG 55 HA ARG 55 -13.455 -9.793 -0.213
112 1HB ARG 55 2HB ARG 55 -11.889 -8.633 2.151
113 2HB ARG 55 1HB ARG 55 -13.623 -8.937 2.184
114 1HG ARG 55 2HG ARG 55 -11.570 -11.088 1.543
115 2HG ARG 55 1HG ARG 55 -12.170 -10.796 3.170
116 1HD ARG 55 2HD ARG 55 -13.919 -12.203 2.670
117 2HD ARG 55 1HD ARG 55 -14.510 -10.988 1.537
118 HE ARG 55 HE ARG 55 -12.482 -12.426 0.199
119 1HH1 ARG 55 HH1 ARG 55 -14.061 -14.407 2.040
120 2HH1 ARG 55 HH1 ARG 55 -15.158 -15.077 0.881
121 1HH2 ARG 55 HH2 ARG 55 -14.495 -12.580 -1.487
122 2HH2 ARG 55 HH2 ARG 55 -15.410 -14.015 -1.170
123 H ASN 56 H ASN 56 -15.051 -8.272 -0.379
124 HA ASN 56 HA ASN 56 -14.342 -5.715 -1.437
125 1HB ASN 56 2HB ASN 56 -16.630 -7.003 -1.611
126 2HB ASN 56 1HB ASN 56 -16.989 -6.333 -0.021
127 1HD2 ASN 56 HD2 ASN 56 -16.306 -3.468 -2.885
128 2HD2 ASN 56 HD2 ASN 56 -15.203 -4.743 -2.695
129 H HIS 57 H HIS 57 -16.031 -3.959 0.102
130 HA HIS 57 HA HIS 57 -15.816 -2.505 1.927
131 1HB HIS 57 2HB HIS 57 -16.635 -4.006 3.538
132 2HB HIS 57 1HB HIS 57 -15.537 -5.289 3.071
133 HD1 HIS 57 HD1 HIS 57 -13.550 -5.503 4.524
134 HD2 HIS 57 HD2 HIS 57 -15.397 -1.966 5.252
135 HE1 HIS 57 HE1 HIS 57 -12.398 -4.593 6.449
136 H ASP 58 H ASP 58 -13.085 -4.785 2.560
137 HA ASP 58 HA ASP 58 -11.224 -2.986 3.490
138 1HB ASP 58 2HB ASP 58 -10.670 -5.159 1.402
139 2HB ASP 58 1HB ASP 58 -9.483 -4.474 2.509
140 H LEU 59 H LEU 59 -12.086 -3.529 0.103
141 HA LEU 59 HA LEU 59 -10.124 -1.705 -0.996
142 1HB LEU 59 2HB LEU 59 -11.814 -3.561 -2.083
143 2HB LEU 59 1HB LEU 59 -12.810 -2.141 -2.360
144 HG LEU 59 HG LEU 59 -11.419 -2.502 -4.322
145 1HD1 LEU 59 HD1 LEU 59 -11.768 -0.136 -3.328
146 2HD1 LEU 59 HD1 LEU 59 -10.081 -0.219 -2.851
147 3HD1 LEU 59 HD1 LEU 59 -10.517 -0.323 -4.552
148 1HD2 LEU 59 HD2 LEU 59 -9.573 -3.674 -2.716
149 2HD2 LEU 59 HD2 LEU 59 -9.155 -3.040 -4.301
150 3HD2 LEU 59 HD2 LEU 59 -8.817 -2.097 -2.859
151 H ILE 60 H ILE 60 -13.420 -1.363 0.190
152 HA ILE 60 HA ILE 60 -13.806 1.318 -0.720
153 HB ILE 60 HB ILE 60 -14.996 -0.002 1.770
154 1HG1 ILE 60 2HG1 ILE 60 -15.816 -0.190 -1.155
155 2HG1 ILE 60 1HG1 ILE 60 -15.288 -1.510 -0.122
156 1HG2 ILE 60 2HG2 ILE 60 -15.368 2.519 1.280
157 2HG2 ILE 60 1HG2 ILE 60 -16.221 2.021 -0.178
158 3HG2 ILE 60 3HG2 ILE 60 -16.839 1.563 1.406
159 1HD1 ILE 60 HD1 ILE 60 -17.305 -0.784 1.408
160 2HD1 ILE 60 HD1 ILE 60 -17.887 0.021 -0.046
161 3HD1 ILE 60 HD1 ILE 60 -17.633 -1.722 -0.045
162 H ARG 61 H ARG 61 -12.712 0.000 2.382
163 HA ARG 61 HA ARG 61 -12.246 2.630 3.519
164 1HB ARG 61 2HB ARG 61 -12.583 0.386 4.796
165 2HB ARG 61 1HB ARG 61 -10.919 0.004 4.365
166 1HG ARG 61 2HG ARG 61 -10.387 2.382 5.383
167 2HG ARG 61 1HG ARG 61 -11.952 2.205 6.168
168 1HD ARG 61 2HD ARG 61 -9.535 0.391 6.439
169 2HD ARG 61 1HD ARG 61 -10.321 1.327 7.707
170 HE ARG 61 HE ARG 61 -12.248 -0.461 6.616
171 1HH1 ARG 61 HH1 ARG 61 -10.064 -2.387 6.598
172 2HH1 ARG 61 HH1 ARG 61 -10.032 -2.998 8.219
173 1HH2 ARG 61 HH2 ARG 61 -11.919 -0.326 9.478
174 2HH2 ARG 61 HH2 ARG 61 -11.110 -1.801 9.891
175 H HIS 62 H HIS 62 -10.295 0.218 1.873
176 HA HIS 62 HA HIS 62 -7.775 1.509 2.282
177 1HB HIS 62 2HB HIS 62 -7.735 -0.822 1.605
178 2HB HIS 62 1HB HIS 62 -8.805 -0.500 0.272
179 HD1 HIS 62 HD1 HIS 62 -5.336 -0.623 0.995
180 HD2 HIS 62 HD2 HIS 62 -7.687 0.905 -1.930
181 HE1 HIS 62 HE1 HIS 62 -3.780 -0.023 -0.776
182 H LYS 63 H LYS 63 -10.420 2.033 0.115
183 HA LYS 63 HA LYS 63 -8.827 3.841 -1.623
184 1HB LYS 63 2HB LYS 63 -10.355 2.263 -2.740
185 2HB LYS 63 1HB LYS 63 -11.701 2.797 -1.741
186 1HG LYS 63 2HG LYS 63 -11.964 4.805 -2.914
187 2HG LYS 63 1HG LYS 63 -10.275 4.868 -3.408
188 1HD LYS 63 2HD LYS 63 -10.651 3.056 -5.023
189 2HD LYS 63 1HD LYS 63 -12.310 2.865 -4.462
190 1HE LYS 63 2HE LYS 63 -12.799 5.202 -5.161
191 2HE LYS 63 1HE LYS 63 -11.151 5.355 -5.759
192 1HZ LYS 63 2HZ LYS 63 -11.624 3.442 -7.238
193 2HZ LYS 63 1HZ LYS 63 -13.250 3.512 -6.750
194 3HZ LYS 63 3HZ LYS 63 -12.553 4.823 -7.577
195 H LYS 64 H LYS 64 -9.950 4.308 1.264
196 HA LYS 64 HA LYS 64 -11.674 6.640 0.844
197 1HB LYS 64 2HB LYS 64 -11.767 5.088 2.877
198 2HB LYS 64 1HB LYS 64 -10.208 5.735 3.372
199 1HG LYS 64 2HG LYS 64 -11.430 7.326 4.519
200 2HG LYS 64 1HG LYS 64 -11.670 8.083 2.951
201 1HD LYS 64 2HD LYS 64 -13.525 5.977 4.133
202 2HD LYS 64 1HD LYS 64 -13.812 7.710 4.220
203 1HE LYS 64 2HE LYS 64 -13.582 7.710 1.653
204 2HE LYS 64 1HE LYS 64 -13.722 5.959 1.755
205 1HZ LYS 64 3HZ LYS 64 -15.698 7.860 2.877
206 2HZ LYS 64 2HZ LYS 64 -15.847 7.100 1.366
207 3HZ LYS 64 1HZ LYS 64 -15.844 6.171 2.788
208 H SER 65 H SER 65 -8.573 6.351 2.555
209 HA SER 65 HA SER 65 -8.012 9.164 2.374
210 1HB SER 65 2HB SER 65 -6.270 6.724 2.959
211 2HB SER 65 1HB SER 65 -5.662 8.387 3.071
212 HG SER 65 HG SER 65 -6.855 8.707 4.778
213 H HIS 66 H HIS 66 -8.019 6.940 -0.061
214 HA HIS 66 HA HIS 66 -5.583 7.641 -1.446
215 1HB HIS 66 2HB HIS 66 -8.049 6.054 -1.918
216 2HB HIS 66 1HB HIS 66 -7.543 6.867 -3.393
217 HD1 HIS 66 HD1 HIS 66 -4.481 6.510 -2.382
218 HD2 HIS 66 HD2 HIS 66 -7.189 3.635 -3.154
219 HE1 HIS 66 HE1 HIS 66 -3.178 4.527 -2.878
220 H GLN 67 H GLN 67 -8.052 9.625 -0.622
221 HA GLN 67 HA GLN 67 -7.967 11.193 -3.188
222 1HB GLN 67 2HB GLN 67 -9.865 11.590 -0.822
223 2HB GLN 67 1HB GLN 67 -10.070 12.181 -2.461
224 1HG GLN 67 2HG GLN 67 -10.273 9.325 -1.456
225 2HG GLN 67 1HG GLN 67 -11.493 10.262 -2.311
226 1HE2 GLN 67 2HE2 GLN 67 -9.880 9.828 -5.522
227 2HE2 GLN 67 1HE2 GLN 67 -10.751 10.973 -4.624
228 H GLU 68 H GLU 68 -8.621 12.393 0.093
229 HA GLU 68 HA GLU 68 -6.997 14.725 -0.435
230 1HB GLU 68 2HB GLU 68 -7.458 15.108 2.109
231 2HB GLU 68 1HB GLU 68 -8.855 15.046 1.047
232 1HG GLU 68 2HG GLU 68 -9.343 12.770 1.677
233 2HG GLU 68 1HG GLU 68 -7.813 12.613 2.532
234 H LYS 69 H LYS 69 -6.401 13.801 2.736
235 HA LYS 69 HA LYS 69 -3.668 12.739 2.039
236 1HB LYS 69 2HB LYS 69 -4.460 14.793 4.172
237 2HB LYS 69 1HB LYS 69 -2.843 14.119 3.993
238 1HG LYS 69 2HG LYS 69 -2.523 15.156 1.873
239 2HG LYS 69 1HG LYS 69 -4.243 15.477 1.674
240 1HD LYS 69 2HD LYS 69 -4.185 17.110 3.501
241 2HD LYS 69 1HD LYS 69 -2.492 16.739 3.814
242 1HE LYS 69 2HE LYS 69 -1.819 17.617 1.673
243 2HE LYS 69 1HE LYS 69 -3.488 17.742 1.132
244 1HZ LYS 69 2HZ LYS 69 -3.765 19.308 3.106
245 2HZ LYS 69 1HZ LYS 69 -2.070 19.389 3.126
246 3HZ LYS 69 3HZ LYS 69 -2.927 19.887 1.748
247 H ALA 70 H ALA 70 -2.603 11.787 4.029
248 HA ALA 70 HA ALA 70 -4.202 9.640 5.000
249 1HB ALA 70 3HB ALA 70 -1.670 9.674 4.903
250 2HB ALA 70 2HB ALA 70 -1.662 10.811 6.247
251 3HB ALA 70 1HB ALA 70 -2.271 9.175 6.481
No H/Q in entry = 251
Start of MODEL 35
1 1H ASP 39 2H ASP 39 -10.441 -12.999 -9.818
2 2H ASP 39 1H ASP 39 -10.087 -14.660 -9.866
3 3H ASP 39 3H ASP 39 -10.837 -13.991 -8.497
4 HA ASP 39 HA ASP 39 -8.691 -14.191 -7.777
5 1HB ASP 39 2HB ASP 39 -6.769 -13.438 -9.333
6 2HB ASP 39 1HB ASP 39 -7.616 -14.895 -9.848
7 H ARG 40 H ARG 40 -8.668 -12.643 -6.308
8 HA ARG 40 HA ARG 40 -8.784 -10.493 -5.357
9 1HB ARG 40 2HB ARG 40 -6.915 -10.037 -7.733
10 2HB ARG 40 1HB ARG 40 -7.041 -8.972 -6.338
11 1HG ARG 40 2HG ARG 40 -6.381 -10.855 -4.856
12 2HG ARG 40 1HG ARG 40 -6.221 -11.896 -6.265
13 1HD ARG 40 2HD ARG 40 -4.602 -9.406 -5.640
14 2HD ARG 40 1HD ARG 40 -4.011 -11.064 -5.735
15 HE ARG 40 HE ARG 40 -5.069 -10.658 -8.244
16 1HH1 ARG 40 HH1 ARG 40 -4.138 -7.866 -6.927
17 2HH1 ARG 40 HH1 ARG 40 -2.713 -7.605 -7.877
18 1HH2 ARG 40 HH2 ARG 40 -2.733 -10.864 -9.166
19 2HH2 ARG 40 HH2 ARG 40 -1.896 -9.347 -9.177
20 HA PRO 41 HA PRO 41 -11.701 -8.965 -8.667
21 1HB PRO 41 2HB PRO 41 -13.912 -8.982 -6.783
22 2HB PRO 41 1HB PRO 41 -13.670 -10.084 -8.143
23 1HG PRO 41 2HG PRO 41 -13.354 -10.651 -5.281
24 2HG PRO 41 1HG PRO 41 -13.260 -11.788 -6.635
25 1HD PRO 41 1HD PRO 41 -11.061 -10.725 -5.064
26 2HD PRO 41 2HD PRO 41 -10.965 -11.843 -6.436
27 H TYR 42 H TYR 42 -10.811 -8.087 -5.448
28 HA TYR 42 HA TYR 42 -11.983 -5.357 -5.751
29 1HB TYR 42 2HB TYR 42 -10.749 -6.871 -3.367
30 2HB TYR 42 1HB TYR 42 -11.140 -5.150 -3.307
31 HD1 TYR 42 HD1 TYR 42 -13.557 -4.508 -4.146
32 HD2 TYR 42 HD2 TYR 42 -12.463 -8.398 -2.824
33 HE1 TYR 42 HE1 TYR 42 -15.918 -5.035 -3.758
34 HE2 TYR 42 HE2 TYR 42 -14.825 -8.927 -2.433
35 HH TYR 42 HH TYR 42 -17.082 -8.086 -3.385
36 H SER 43 H SER 43 -10.356 -5.222 -7.521
37 HA SER 43 HA SER 43 -7.677 -4.335 -6.462
38 1HB SER 43 2HB SER 43 -6.982 -4.600 -8.911
39 2HB SER 43 1HB SER 43 -7.545 -6.117 -8.186
40 HG SER 43 HG SER 43 -8.531 -5.317 -10.283
41 H CYS 44 H CYS 44 -7.582 -2.231 -6.181
42 HA CYS 44 HA CYS 44 -9.340 -0.357 -7.568
43 1HB CYS 44 2HB CYS 44 -8.744 0.577 -5.536
44 2HB CYS 44 1HB CYS 44 -7.263 -0.337 -5.451
45 H ASP 45 H ASP 45 -8.137 1.684 -8.388
46 HA ASP 45 HA ASP 45 -5.840 0.995 -10.152
47 1HB ASP 45 2HB ASP 45 -8.074 0.532 -11.363
48 2HB ASP 45 1HB ASP 45 -8.401 2.260 -11.251
49 H HIS 46 H HIS 46 -5.594 2.652 -7.982
50 HA HIS 46 HA HIS 46 -5.917 5.430 -8.987
51 1HB HIS 46 2HB HIS 46 -6.595 4.671 -6.618
52 2HB HIS 46 1HB HIS 46 -4.884 4.484 -6.279
53 HD1 HIS 46 HD1 HIS 46 -7.085 7.191 -7.534
54 HD2 HIS 46 HD2 HIS 46 -3.725 6.743 -5.322
55 HE1 HIS 46 HE1 HIS 46 -6.540 9.429 -6.785
56 HA PRO 47 HA PRO 47 -1.614 5.447 -10.234
57 1HB PRO 47 2HB PRO 47 -1.203 8.295 -9.731
58 2HB PRO 47 1HB PRO 47 -1.527 7.514 -11.285
59 1HG PRO 47 2HG PRO 47 -3.365 9.107 -9.627
60 2HG PRO 47 1HG PRO 47 -3.614 8.510 -11.274
61 1HD PRO 47 1HD PRO 47 -4.854 7.504 -8.892
62 2HD PRO 47 2HD PRO 47 -4.928 6.781 -10.511
63 H GLY 48 H GLY 48 0.307 5.168 -9.226
64 1HA GLY 48 2HA GLY 48 1.905 5.081 -7.512
65 2HA GLY 48 1HA GLY 48 1.173 6.541 -6.862
66 H CYS 49 H CYS 49 -0.572 3.503 -7.326
67 HA CYS 49 HA CYS 49 -0.716 3.221 -4.320
68 1HB CYS 49 2HB CYS 49 -2.795 3.982 -5.413
69 2HB CYS 49 1HB CYS 49 -2.764 2.606 -6.465
70 H ASP 50 H ASP 50 -1.525 0.954 -3.730
71 HA ASP 50 HA ASP 50 0.163 -1.043 -5.214
72 1HB ASP 50 2HB ASP 50 0.150 -2.290 -2.999
73 2HB ASP 50 1HB ASP 50 0.914 -0.703 -2.914
74 H LYS 51 H LYS 51 -3.046 -0.517 -4.042
75 HA LYS 51 HA LYS 51 -4.911 -1.934 -4.108
76 1HB LYS 51 2HB LYS 51 -3.813 -2.780 -6.788
77 2HB LYS 51 1HB LYS 51 -5.495 -2.620 -6.320
78 1HG LYS 51 2HG LYS 51 -5.096 -0.674 -7.567
79 2HG LYS 51 1HG LYS 51 -4.986 -0.125 -5.910
80 1HD LYS 51 2HD LYS 51 -2.734 0.301 -6.080
81 2HD LYS 51 1HD LYS 51 -2.414 -1.067 -7.093
82 1HE LYS 51 2HE LYS 51 -3.863 1.379 -8.111
83 2HE LYS 51 1HE LYS 51 -2.114 1.206 -8.207
84 1HZ LYS 51 1HZ LYS 51 -2.804 -1.089 -9.257
85 2HZ LYS 51 3HZ LYS 51 -4.206 -0.218 -9.656
86 3HZ LYS 51 2HZ LYS 51 -2.688 0.325 -10.190
87 H ALA 52 H ALA 52 -5.541 -4.122 -5.328
88 HA ALA 52 HA ALA 52 -5.270 -6.483 -5.461
89 1HB ALA 52 3HB ALA 52 -2.669 -5.867 -5.246
90 2HB ALA 52 2HB ALA 52 -2.883 -6.405 -3.582
91 3HB ALA 52 1HB ALA 52 -3.212 -7.507 -4.915
92 H PHE 53 H PHE 53 -7.096 -6.863 -4.345
93 HA PHE 53 HA PHE 53 -6.765 -7.499 -1.454
94 1HB PHE 53 2HB PHE 53 -8.971 -5.727 -2.569
95 2HB PHE 53 1HB PHE 53 -8.817 -6.200 -0.912
96 HD1 PHE 53 HD2 PHE 53 -6.180 -5.724 -0.053
97 HD2 PHE 53 HD1 PHE 53 -8.274 -3.557 -3.068
98 HE1 PHE 53 HE2 PHE 53 -4.632 -3.831 0.204
99 HE2 PHE 53 HE1 PHE 53 -6.759 -1.664 -2.769
100 HZ PHE 53 HZ PHE 53 -4.917 -1.819 -1.162
101 H VAL 54 H VAL 54 -8.177 -9.027 -0.684
102 HA VAL 54 HA VAL 54 -9.726 -10.496 -2.785
103 HB VAL 54 HB VAL 54 -7.861 -11.555 -1.221
104 1HG1 VAL 54 3HG1 VAL 54 -8.946 -10.592 0.883
105 2HG1 VAL 54 2HG1 VAL 54 -10.202 -11.807 0.672
106 3HG1 VAL 54 1HG1 VAL 54 -8.538 -12.301 0.948
107 1HG2 VAL 54 3HG2 VAL 54 -9.410 -12.819 -2.720
108 2HG2 VAL 54 2HG2 VAL 54 -9.029 -13.704 -1.246
109 3HG2 VAL 54 1HG2 VAL 54 -10.579 -12.884 -1.405
110 H ARG 55 H ARG 55 -9.952 -9.126 0.447
111 HA ARG 55 HA ARG 55 -12.776 -9.818 0.745
112 1HB ARG 55 2HB ARG 55 -10.811 -8.057 2.279
113 2HB ARG 55 1HB ARG 55 -12.513 -8.088 2.718
114 1HG ARG 55 2HG ARG 55 -10.739 -10.552 2.553
115 2HG ARG 55 1HG ARG 55 -11.122 -9.710 4.042
116 1HD ARG 55 2HD ARG 55 -13.655 -10.087 3.109
117 2HD ARG 55 1HD ARG 55 -12.865 -11.485 2.379
118 HE ARG 55 HE ARG 55 -13.416 -11.134 5.203
119 1HH1 ARG 55 HH1 ARG 55 -10.403 -11.508 4.115
120 2HH1 ARG 55 HH1 ARG 55 -10.174 -13.160 4.581
121 1HH2 ARG 55 HH2 ARG 55 -13.574 -13.646 5.278
122 2HH2 ARG 55 HH2 ARG 55 -12.017 -14.403 5.256
123 H ASN 56 H ASN 56 -14.329 -7.972 1.308
124 HA ASN 56 HA ASN 56 -14.287 -6.074 -0.983
125 1HB ASN 56 2HB ASN 56 -16.373 -7.347 -0.550
126 2HB ASN 56 1HB ASN 56 -16.416 -6.772 1.115
127 1HD2 ASN 56 HD2 ASN 56 -18.417 -4.081 0.088
128 2HD2 ASN 56 HD2 ASN 56 -18.181 -5.372 1.164
129 H HIS 57 H HIS 57 -14.867 -5.926 2.543
130 HA HIS 57 HA HIS 57 -15.019 -3.160 2.858
131 1HB HIS 57 2HB HIS 57 -13.343 -4.959 4.680
132 2HB HIS 57 1HB HIS 57 -14.269 -3.533 5.145
133 HD1 HIS 57 HD1 HIS 57 -14.631 -7.055 4.756
134 HD2 HIS 57 HD2 HIS 57 -17.169 -3.895 4.876
135 HE1 HIS 57 HE1 HIS 57 -16.812 -8.035 5.140
136 H ASP 58 H ASP 58 -12.201 -5.089 2.109
137 HA ASP 58 HA ASP 58 -10.179 -3.230 2.777
138 1HB ASP 58 2HB ASP 58 -10.433 -5.214 0.461
139 2HB ASP 58 1HB ASP 58 -8.950 -4.317 0.778
140 H LEU 59 H LEU 59 -11.710 -3.712 -0.401
141 HA LEU 59 HA LEU 59 -10.654 -1.488 -1.742
142 1HB LEU 59 2HB LEU 59 -12.483 -3.426 -2.359
143 2HB LEU 59 1HB LEU 59 -13.620 -2.121 -2.064
144 HG LEU 59 HG LEU 59 -13.093 -2.111 -4.421
145 1HD1 LEU 59 HD1 LEU 59 -13.139 0.093 -3.082
146 2HD1 LEU 59 HD1 LEU 59 -11.388 0.110 -3.258
147 3HD1 LEU 59 HD1 LEU 59 -12.415 0.156 -4.684
148 1HD2 LEU 59 HD2 LEU 59 -10.455 -2.944 -3.538
149 2HD2 LEU 59 HD2 LEU 59 -11.071 -2.894 -5.180
150 3HD2 LEU 59 HD2 LEU 59 -10.258 -1.490 -4.499
151 H ILE 60 H ILE 60 -13.333 -1.622 0.561
152 HA ILE 60 HA ILE 60 -14.108 1.116 0.181
153 HB ILE 60 HB ILE 60 -14.463 -0.555 2.705
154 1HG1 ILE 60 2HG1 ILE 60 -16.069 -0.565 0.124
155 2HG1 ILE 60 1HG1 ILE 60 -15.188 -1.917 0.824
156 1HG2 ILE 60 2HG2 ILE 60 -15.104 1.967 2.580
157 2HG2 ILE 60 1HG2 ILE 60 -16.334 1.493 1.413
158 3HG2 ILE 60 3HG2 ILE 60 -16.399 0.875 3.060
159 1HD1 ILE 60 HD1 ILE 60 -16.706 -1.533 2.919
160 2HD1 ILE 60 HD1 ILE 60 -17.724 -0.608 1.819
161 3HD1 ILE 60 HD1 ILE 60 -17.419 -2.313 1.512
162 H ARG 61 H ARG 61 -12.344 -0.437 2.823
163 HA ARG 61 HA ARG 61 -11.578 2.084 3.987
164 1HB ARG 61 2HB ARG 61 -11.711 -0.121 5.233
165 2HB ARG 61 1HB ARG 61 -10.306 -0.677 4.334
166 1HG ARG 61 2HG ARG 61 -8.880 0.946 5.340
167 2HG ARG 61 1HG ARG 61 -10.238 1.907 5.914
168 1HD ARG 61 2HD ARG 61 -9.959 -0.939 6.888
169 2HD ARG 61 1HD ARG 61 -8.945 0.318 7.596
170 HE ARG 61 HE ARG 61 -10.888 1.314 8.564
171 1HH1 ARG 61 HH1 ARG 61 -12.964 1.601 6.822
172 2HH1 ARG 61 HH1 ARG 61 -14.042 0.267 7.065
173 1HH2 ARG 61 HH2 ARG 61 -11.617 -1.650 8.716
174 2HH2 ARG 61 HH2 ARG 61 -13.258 -1.622 8.166
175 H HIS 62 H HIS 62 -10.547 0.432 1.251
176 HA HIS 62 HA HIS 62 -7.760 1.415 1.426
177 1HB HIS 62 2HB HIS 62 -7.936 -0.804 0.470
178 2HB HIS 62 1HB HIS 62 -9.253 -0.303 -0.562
179 HD1 HIS 62 HD1 HIS 62 -5.700 -0.370 -0.471
180 HD2 HIS 62 HD2 HIS 62 -8.536 1.387 -2.736
181 HE1 HIS 62 HE1 HIS 62 -4.482 0.559 -2.355
182 H LYS 63 H LYS 63 -10.670 1.903 -0.600
183 HA LYS 63 HA LYS 63 -9.346 3.940 -2.199
184 1HB LYS 63 2HB LYS 63 -11.662 2.397 -2.475
185 2HB LYS 63 1HB LYS 63 -12.354 3.960 -2.096
186 1HG LYS 63 2HG LYS 63 -10.260 3.573 -4.274
187 2HG LYS 63 1HG LYS 63 -11.981 3.454 -4.592
188 1HD LYS 63 2HD LYS 63 -10.952 5.900 -3.152
189 2HD LYS 63 1HD LYS 63 -10.712 5.786 -4.887
190 1HE LYS 63 2HE LYS 63 -13.036 5.732 -5.329
191 2HE LYS 63 1HE LYS 63 -13.436 5.283 -3.677
192 1HZ LYS 63 2HZ LYS 63 -12.538 7.503 -3.011
193 2HZ LYS 63 1HZ LYS 63 -12.490 7.906 -4.661
194 3HZ LYS 63 3HZ LYS 63 -13.974 7.542 -3.919
195 H LYS 64 H LYS 64 -11.690 4.021 0.472
196 HA LYS 64 HA LYS 64 -12.240 6.747 0.589
197 1HB LYS 64 2HB LYS 64 -11.717 4.706 2.795
198 2HB LYS 64 1HB LYS 64 -12.202 6.355 3.178
199 1HG LYS 64 2HG LYS 64 -14.208 6.070 1.720
200 2HG LYS 64 1HG LYS 64 -13.737 4.398 1.436
201 1HD LYS 64 2HD LYS 64 -13.973 3.858 3.783
202 2HD LYS 64 1HD LYS 64 -14.197 5.553 4.202
203 1HE LYS 64 2HE LYS 64 -16.054 4.097 2.305
204 2HE LYS 64 1HE LYS 64 -16.332 4.137 4.041
205 1HZ LYS 64 1HZ LYS 64 -15.890 6.630 2.535
206 2HZ LYS 64 3HZ LYS 64 -17.426 5.906 2.580
207 3HZ LYS 64 2HZ LYS 64 -16.679 6.404 4.022
208 H SER 65 H SER 65 -9.188 5.269 0.897
209 HA SER 65 HA SER 65 -7.983 7.425 2.495
210 1HB SER 65 2HB SER 65 -6.686 5.159 0.875
211 2HB SER 65 1HB SER 65 -5.875 6.156 2.099
212 HG SER 65 HG SER 65 -7.703 5.483 3.494
213 H HIS 66 H HIS 66 -8.182 6.492 -0.902
214 HA HIS 66 HA HIS 66 -6.214 8.257 -1.926
215 1HB HIS 66 2HB HIS 66 -8.811 7.135 -3.068
216 2HB HIS 66 1HB HIS 66 -7.785 8.201 -4.027
217 HD1 HIS 66 HD1 HIS 66 -5.118 7.149 -3.242
218 HD2 HIS 66 HD2 HIS 66 -8.178 4.630 -4.076
219 HE1 HIS 66 HE1 HIS 66 -4.069 5.033 -3.767
220 H GLN 67 H GLN 67 -8.924 9.043 -0.184
221 HA GLN 67 HA GLN 67 -9.326 11.676 -1.556
222 1HB GLN 67 2HB GLN 67 -10.853 10.119 0.587
223 2HB GLN 67 1HB GLN 67 -11.203 11.816 0.272
224 1HG GLN 67 2HG GLN 67 -12.689 10.326 -1.048
225 2HG GLN 67 1HG GLN 67 -11.657 11.294 -2.098
226 1HE2 GLN 67 2HE2 GLN 67 -9.930 8.514 -3.415
227 2HE2 GLN 67 1HE2 GLN 67 -10.066 10.204 -3.363
228 H GLU 68 H GLU 68 -6.970 10.836 0.129
229 HA GLU 68 HA GLU 68 -7.098 12.206 2.638
230 1HB GLU 68 2HB GLU 68 -5.322 10.543 2.058
231 2HB GLU 68 1HB GLU 68 -4.708 11.619 0.810
232 1HG GLU 68 2HG GLU 68 -3.371 11.768 2.916
233 2HG GLU 68 1HG GLU 68 -4.124 13.306 2.512
234 H LYS 69 H LYS 69 -7.768 14.275 2.631
235 HA LYS 69 HA LYS 69 -5.954 16.313 1.710
236 1HB LYS 69 2HB LYS 69 -7.456 15.403 -0.370
237 2HB LYS 69 1HB LYS 69 -8.633 16.531 0.291
238 1HG LYS 69 2HG LYS 69 -6.661 18.244 0.296
239 2HG LYS 69 1HG LYS 69 -5.858 17.109 -0.781
240 1HD LYS 69 2HD LYS 69 -7.837 17.197 -2.301
241 2HD LYS 69 1HD LYS 69 -8.566 18.402 -1.246
242 1HE LYS 69 2HE LYS 69 -6.491 19.817 -1.579
243 2HE LYS 69 1HE LYS 69 -5.973 18.661 -2.799
244 1HZ LYS 69 3HZ LYS 69 -8.069 19.088 -3.981
245 2HZ LYS 69 2HZ LYS 69 -8.447 20.292 -2.844
246 3HZ LYS 69 1HZ LYS 69 -7.090 20.470 -3.850
247 H ALA 70 H ALA 70 -8.120 18.271 1.327
248 HA ALA 70 HA ALA 70 -9.805 18.258 3.666
249 1HB ALA 70 2HB ALA 70 -7.201 19.855 3.716
250 2HB ALA 70 1HB ALA 70 -8.552 20.213 4.786
251 3HB ALA 70 3HB ALA 70 -7.735 18.657 4.890
No H/Q in entry = 251
Start of MODEL 36
1 1H ASP 39 3H ASP 39 -4.657 -14.428 -5.387
2 2H ASP 39 2H ASP 39 -5.213 -15.618 -6.463
3 3H ASP 39 1H ASP 39 -5.410 -13.974 -6.841
4 HA ASP 39 HA ASP 39 -7.492 -14.909 -6.123
5 1HB ASP 39 2HB ASP 39 -6.082 -15.360 -3.447
6 2HB ASP 39 1HB ASP 39 -7.721 -15.842 -3.880
7 H ARG 40 H ARG 40 -6.515 -12.434 -6.525
8 HA ARG 40 HA ARG 40 -7.860 -10.911 -4.368
9 1HB ARG 40 2HB ARG 40 -4.973 -10.423 -5.261
10 2HB ARG 40 1HB ARG 40 -5.895 -9.324 -4.245
11 1HG ARG 40 2HG ARG 40 -6.259 -11.344 -2.681
12 2HG ARG 40 1HG ARG 40 -4.994 -12.141 -3.603
13 1HD ARG 40 2HD ARG 40 -3.391 -10.411 -3.028
14 2HD ARG 40 1HD ARG 40 -4.648 -9.428 -2.280
15 HE ARG 40 HE ARG 40 -4.163 -10.659 -0.337
16 1HH1 ARG 40 HH1 ARG 40 -2.816 -12.333 -2.897
17 2HH1 ARG 40 HH1 ARG 40 -2.946 -13.907 -2.187
18 1HH2 ARG 40 HH2 ARG 40 -4.844 -12.750 0.523
19 2HH2 ARG 40 HH2 ARG 40 -4.124 -14.149 -0.200
20 HA PRO 41 HA PRO 41 -8.499 -9.402 -8.709
21 1HB PRO 41 2HB PRO 41 -11.380 -9.385 -8.269
22 2HB PRO 41 1HB PRO 41 -10.467 -10.483 -9.310
23 1HG PRO 41 2HG PRO 41 -11.737 -11.106 -6.765
24 2HG PRO 41 1HG PRO 41 -10.828 -12.206 -7.811
25 1HD PRO 41 1HD PRO 41 -9.970 -10.983 -5.290
26 2HD PRO 41 2HD PRO 41 -9.115 -12.195 -6.264
27 H TYR 42 H TYR 42 -9.364 -8.410 -5.547
28 HA TYR 42 HA TYR 42 -10.496 -5.835 -6.368
29 1HB TYR 42 2HB TYR 42 -9.833 -7.157 -3.697
30 2HB TYR 42 1HB TYR 42 -10.144 -5.423 -3.753
31 HD1 TYR 42 HD1 TYR 42 -12.282 -4.674 -5.042
32 HD2 TYR 42 HD2 TYR 42 -11.689 -8.612 -3.558
33 HE1 TYR 42 HE1 TYR 42 -14.693 -5.061 -5.130
34 HE2 TYR 42 HE2 TYR 42 -14.103 -9.003 -3.645
35 HH TYR 42 HH TYR 42 -16.101 -7.846 -5.216
36 H SER 43 H SER 43 -8.491 -5.626 -7.688
37 HA SER 43 HA SER 43 -6.163 -4.550 -6.180
38 1HB SER 43 2HB SER 43 -5.555 -5.879 -8.128
39 2HB SER 43 1HB SER 43 -6.740 -5.048 -9.152
40 HG SER 43 HG SER 43 -4.755 -4.073 -9.478
41 H CYS 44 H CYS 44 -6.980 -2.648 -5.306
42 HA CYS 44 HA CYS 44 -8.623 -0.711 -6.388
43 1HB CYS 44 2HB CYS 44 -7.829 -0.199 -4.253
44 2HB CYS 44 1HB CYS 44 -6.182 -0.600 -4.648
45 H ASP 45 H ASP 45 -8.236 1.311 -7.439
46 HA ASP 45 HA ASP 45 -5.936 1.249 -9.385
47 1HB ASP 45 2HB ASP 45 -7.563 2.255 -11.040
48 2HB ASP 45 1HB ASP 45 -8.067 0.647 -10.522
49 H HIS 46 H HIS 46 -5.932 2.627 -6.908
50 HA HIS 46 HA HIS 46 -6.746 5.348 -7.213
51 1HB HIS 46 2HB HIS 46 -6.246 4.318 -5.005
52 2HB HIS 46 1HB HIS 46 -4.586 4.017 -5.493
53 HD1 HIS 46 HD1 HIS 46 -6.765 6.730 -4.442
54 HD2 HIS 46 HD2 HIS 46 -2.877 6.216 -5.419
55 HE1 HIS 46 HE1 HIS 46 -5.685 8.772 -3.730
56 HA PRO 47 HA PRO 47 -3.795 6.837 -10.176
57 1HB PRO 47 2HB PRO 47 -3.150 9.170 -8.413
58 2HB PRO 47 1HB PRO 47 -3.844 9.163 -10.039
59 1HG PRO 47 2HG PRO 47 -5.272 9.610 -7.594
60 2HG PRO 47 1HG PRO 47 -5.993 9.355 -9.190
61 1HD PRO 47 1HD PRO 47 -6.022 7.533 -6.929
62 2HD PRO 47 2HD PRO 47 -6.747 7.275 -8.521
63 H GLY 48 H GLY 48 -2.265 5.236 -9.899
64 1HA GLY 48 2HA GLY 48 0.061 4.745 -9.597
65 2HA GLY 48 1HA GLY 48 0.170 6.053 -8.423
66 H CYS 49 H CYS 49 -1.390 2.867 -8.854
67 HA CYS 49 HA CYS 49 -0.376 1.991 -6.258
68 1HB CYS 49 2HB CYS 49 -2.339 3.353 -5.616
69 2HB CYS 49 1HB CYS 49 -3.348 2.440 -6.699
70 H ASP 50 H ASP 50 -1.183 -0.133 -5.669
71 HA ASP 50 HA ASP 50 -2.469 -1.783 -7.692
72 1HB ASP 50 2HB ASP 50 0.005 -1.460 -8.445
73 2HB ASP 50 1HB ASP 50 0.449 -2.404 -7.026
74 H LYS 51 H LYS 51 -2.462 -1.014 -4.787
75 HA LYS 51 HA LYS 51 -1.654 -3.193 -3.168
76 1HB LYS 51 2HB LYS 51 -2.571 -0.813 -2.518
77 2HB LYS 51 1HB LYS 51 -4.166 -1.543 -2.653
78 1HG LYS 51 2HG LYS 51 -3.720 -1.928 -0.386
79 2HG LYS 51 1HG LYS 51 -3.105 -3.422 -1.081
80 1HD LYS 51 2HD LYS 51 -0.822 -2.245 -1.221
81 2HD LYS 51 1HD LYS 51 -1.520 -0.983 -0.216
82 1HE LYS 51 2HE LYS 51 -1.021 -3.876 0.468
83 2HE LYS 51 1HE LYS 51 -0.546 -2.438 1.362
84 1HZ LYS 51 1HZ LYS 51 -3.384 -3.141 0.958
85 2HZ LYS 51 3HZ LYS 51 -2.483 -3.779 2.248
86 3HZ LYS 51 2HZ LYS 51 -2.705 -2.100 2.115
87 H ALA 52 H ALA 52 -2.287 -5.215 -3.231
88 HA ALA 52 HA ALA 52 -4.774 -5.983 -4.595
89 1HB ALA 52 3HB ALA 52 -2.430 -7.211 -4.540
90 2HB ALA 52 2HB ALA 52 -2.982 -7.857 -2.998
91 3HB ALA 52 1HB ALA 52 -3.885 -8.191 -4.470
92 H PHE 53 H PHE 53 -6.334 -7.424 -3.576
93 HA PHE 53 HA PHE 53 -6.477 -7.387 -0.621
94 1HB PHE 53 2HB PHE 53 -8.241 -5.746 -2.467
95 2HB PHE 53 1HB PHE 53 -8.941 -6.370 -0.980
96 HD1 PHE 53 HD1 PHE 53 -7.518 -5.932 1.203
97 HD2 PHE 53 HD2 PHE 53 -7.026 -3.726 -2.411
98 HE1 PHE 53 HE1 PHE 53 -6.411 -4.127 2.447
99 HE2 PHE 53 HE2 PHE 53 -5.931 -1.925 -1.156
100 HZ PHE 53 HZ PHE 53 -5.607 -2.131 1.268
101 H VAL 54 H VAL 54 -9.063 -8.114 -0.219
102 HA VAL 54 HA VAL 54 -9.535 -10.484 -2.012
103 HB VAL 54 HB VAL 54 -9.830 -10.660 1.026
104 1HG1 VAL 54 3HG1 VAL 54 -10.814 -12.407 -0.487
105 2HG1 VAL 54 2HG1 VAL 54 -9.198 -12.733 -1.105
106 3HG1 VAL 54 1HG1 VAL 54 -9.574 -13.050 0.586
107 1HG2 VAL 54 2HG2 VAL 54 -7.321 -11.122 -0.617
108 2HG2 VAL 54 1HG2 VAL 54 -7.524 -9.961 0.689
109 3HG2 VAL 54 3HG2 VAL 54 -7.533 -11.688 1.034
110 H ARG 55 H ARG 55 -10.815 -7.850 -0.244
111 HA ARG 55 HA ARG 55 -13.573 -8.720 -1.001
112 1HB ARG 55 2HB ARG 55 -12.585 -7.929 1.779
113 2HB ARG 55 1HB ARG 55 -14.279 -7.737 1.335
114 1HG ARG 55 2HG ARG 55 -14.445 -10.122 0.797
115 2HG ARG 55 1HG ARG 55 -12.729 -10.341 1.116
116 1HD ARG 55 2HD ARG 55 -14.270 -11.007 3.032
117 2HD ARG 55 1HD ARG 55 -13.019 -9.837 3.459
118 HE ARG 55 HE ARG 55 -14.968 -8.105 2.946
119 1HH1 ARG 55 HH2 ARG 55 -17.205 -9.851 2.743
120 2HH1 ARG 55 HH2 ARG 55 -17.746 -10.085 4.371
121 1HH2 ARG 55 HH1 ARG 55 -14.724 -8.966 5.749
122 2HH2 ARG 55 HH1 ARG 55 -16.304 -9.571 6.118
123 H ASN 56 H ASN 56 -15.024 -7.034 -1.334
124 HA ASN 56 HA ASN 56 -13.953 -4.646 -2.418
125 1HB ASN 56 2HB ASN 56 -16.265 -5.581 -2.877
126 2HB ASN 56 1HB ASN 56 -16.757 -5.077 -1.263
127 1HD2 ASN 56 HD2 ASN 56 -15.558 -1.731 -3.148
128 2HD2 ASN 56 HD2 ASN 56 -14.472 -2.922 -2.617
129 H HIS 57 H HIS 57 -15.430 -5.266 0.746
130 HA HIS 57 HA HIS 57 -15.495 -2.691 1.798
131 1HB HIS 57 2HB HIS 57 -16.302 -4.287 3.335
132 2HB HIS 57 1HB HIS 57 -15.070 -5.467 2.918
133 HD1 HIS 57 HD1 HIS 57 -13.284 -5.614 4.576
134 HD2 HIS 57 HD2 HIS 57 -15.202 -2.070 5.013
135 HE1 HIS 57 HE1 HIS 57 -12.283 -4.618 6.535
136 H ASP 58 H ASP 58 -12.694 -4.912 2.188
137 HA ASP 58 HA ASP 58 -10.898 -3.106 3.321
138 1HB ASP 58 2HB ASP 58 -10.189 -5.053 1.065
139 2HB ASP 58 1HB ASP 58 -9.114 -4.488 2.342
140 H LEU 59 H LEU 59 -11.806 -3.456 -0.050
141 HA LEU 59 HA LEU 59 -9.939 -1.508 -1.082
142 1HB LEU 59 2HB LEU 59 -11.652 -3.412 -2.162
143 2HB LEU 59 1HB LEU 59 -12.596 -1.966 -2.475
144 HG LEU 59 HG LEU 59 -11.174 -2.471 -4.398
145 1HD1 LEU 59 HD1 LEU 59 -11.599 -0.077 -3.696
146 2HD1 LEU 59 HD1 LEU 59 -10.026 -0.079 -2.913
147 3HD1 LEU 59 HD1 LEU 59 -10.139 -0.291 -4.653
148 1HD2 LEU 59 HD2 LEU 59 -9.342 -3.512 -2.684
149 2HD2 LEU 59 HD2 LEU 59 -8.901 -2.955 -4.293
150 3HD2 LEU 59 HD2 LEU 59 -8.617 -1.925 -2.900
151 H ILE 60 H ILE 60 -13.280 -1.373 0.067
152 HA ILE 60 HA ILE 60 -13.652 1.389 -0.664
153 HB ILE 60 HB ILE 60 -15.062 -0.440 1.344
154 1HG1 ILE 60 2HG1 ILE 60 -16.227 0.624 -1.252
155 2HG1 ILE 60 1HG1 ILE 60 -15.153 -0.769 -1.284
156 1HG2 ILE 60 1HG2 ILE 60 -15.606 2.443 0.459
157 2HG2 ILE 60 3HG2 ILE 60 -16.899 1.432 1.090
158 3HG2 ILE 60 2HG2 ILE 60 -15.515 1.819 2.103
159 1HD1 ILE 60 HD1 ILE 60 -17.402 -0.803 0.719
160 2HD1 ILE 60 HD1 ILE 60 -17.799 -1.080 -0.974
161 3HD1 ILE 60 HD1 ILE 60 -16.661 -2.140 -0.152
162 H ARG 61 H ARG 61 -12.242 -0.299 1.985
163 HA ARG 61 HA ARG 61 -12.165 2.107 3.704
164 1HB ARG 61 2HB ARG 61 -12.429 -0.438 4.431
165 2HB ARG 61 1HB ARG 61 -10.683 -0.513 4.226
166 1HG ARG 61 2HG ARG 61 -10.402 1.351 5.819
167 2HG ARG 61 1HG ARG 61 -12.147 1.490 5.988
168 1HD ARG 61 2HD ARG 61 -12.008 -1.068 6.651
169 2HD ARG 61 1HD ARG 61 -10.317 -0.691 6.986
170 HE ARG 61 HE ARG 61 -12.653 0.315 8.487
171 1HH1 ARG 61 HH2 ARG 61 -9.543 1.180 7.430
172 2HH1 ARG 61 HH2 ARG 61 -8.997 1.754 8.971
173 1HH2 ARG 61 HH1 ARG 61 -11.928 0.748 10.611
174 2HH2 ARG 61 HH1 ARG 61 -10.383 1.503 10.818
175 H HIS 62 H HIS 62 -10.185 0.323 1.473
176 HA HIS 62 HA HIS 62 -7.718 1.699 2.293
177 1HB HIS 62 2HB HIS 62 -7.283 -0.539 1.558
178 2HB HIS 62 1HB HIS 62 -8.435 -0.422 0.252
179 HD1 HIS 62 HD1 HIS 62 -4.961 0.111 0.926
180 HD2 HIS 62 HD2 HIS 62 -7.565 1.100 -2.021
181 HE1 HIS 62 HE1 HIS 62 -3.550 0.870 -0.894
182 H LYS 63 H LYS 63 -10.259 2.090 0.034
183 HA LYS 63 HA LYS 63 -8.662 4.233 -1.398
184 1HB LYS 63 2HB LYS 63 -9.984 2.229 -2.590
185 2HB LYS 63 1HB LYS 63 -11.423 3.178 -2.252
186 1HG LYS 63 2HG LYS 63 -10.265 5.144 -3.369
187 2HG LYS 63 1HG LYS 63 -8.994 4.033 -3.860
188 1HD LYS 63 2HD LYS 63 -10.582 2.684 -5.116
189 2HD LYS 63 1HD LYS 63 -11.931 3.636 -4.507
190 1HE LYS 63 2HE LYS 63 -11.024 4.204 -6.874
191 2HE LYS 63 1HE LYS 63 -11.315 5.539 -5.767
192 1HZ LYS 63 1HZ LYS 63 -8.674 4.232 -5.976
193 2HZ LYS 63 3HZ LYS 63 -9.125 5.517 -6.991
194 3HZ LYS 63 2HZ LYS 63 -9.054 5.747 -5.310
195 H LYS 64 H LYS 64 -10.436 4.057 1.290
196 HA LYS 64 HA LYS 64 -12.663 5.697 1.167
197 1HB LYS 64 2HB LYS 64 -11.408 4.715 3.254
198 2HB LYS 64 1HB LYS 64 -10.519 6.234 3.239
199 1HG LYS 64 2HG LYS 64 -12.597 7.499 3.459
200 2HG LYS 64 1HG LYS 64 -13.550 6.027 3.314
201 1HD LYS 64 2HD LYS 64 -12.336 5.162 5.374
202 2HD LYS 64 1HD LYS 64 -11.659 6.776 5.561
203 1HE LYS 64 2HE LYS 64 -14.554 5.930 5.722
204 2HE LYS 64 1HE LYS 64 -13.606 6.806 6.918
205 1HZ LYS 64 3HZ LYS 64 -14.349 7.868 4.251
206 2HZ LYS 64 2HZ LYS 64 -15.165 8.224 5.698
207 3HZ LYS 64 1HZ LYS 64 -13.551 8.710 5.492
208 H SER 65 H SER 65 -9.511 6.332 0.623
209 HA SER 65 HA SER 65 -9.560 8.491 -1.037
210 1HB SER 65 2HB SER 65 -10.615 10.075 0.466
211 2HB SER 65 1HB SER 65 -9.838 9.387 1.892
212 HG SER 65 HG SER 65 -8.660 10.874 -0.208
213 H HIS 66 H HIS 66 -8.313 6.210 -0.476
214 HA HIS 66 HA HIS 66 -6.313 5.208 -0.150
215 1HB HIS 66 2HB HIS 66 -6.014 7.553 -1.776
216 2HB HIS 66 1HB HIS 66 -4.588 7.486 -0.752
217 HD1 HIS 66 HD1 HIS 66 -2.997 6.470 -2.410
218 HD2 HIS 66 HD2 HIS 66 -6.421 4.307 -2.271
219 HE1 HIS 66 HE1 HIS 66 -2.489 4.400 -3.566
220 H GLN 67 H GLN 67 -7.539 6.045 2.057
221 HA GLN 67 HA GLN 67 -5.641 7.462 3.795
222 1HB GLN 67 2HB GLN 67 -8.272 5.963 4.235
223 2HB GLN 67 1HB GLN 67 -7.401 6.759 5.542
224 1HG GLN 67 2HG GLN 67 -7.565 8.905 4.395
225 2HG GLN 67 1HG GLN 67 -8.309 8.126 3.010
226 1HE2 GLN 67 2HE2 GLN 67 -10.555 8.169 6.458
227 2HE2 GLN 67 1HE2 GLN 67 -8.889 7.861 6.557
228 H GLU 68 H GLU 68 -4.699 4.982 2.532
229 HA GLU 68 HA GLU 68 -4.728 2.712 4.145
230 1HB GLU 68 2HB GLU 68 -3.419 3.231 1.914
231 2HB GLU 68 1HB GLU 68 -2.118 3.762 2.971
232 1HG GLU 68 2HG GLU 68 -3.444 1.032 3.143
233 2HG GLU 68 1HG GLU 68 -1.927 1.343 2.307
234 H LYS 69 H LYS 69 -2.177 5.215 4.362
235 HA LYS 69 HA LYS 69 -1.359 4.228 6.976
236 1HB LYS 69 2HB LYS 69 -0.676 6.803 5.455
237 2HB LYS 69 1HB LYS 69 0.111 6.302 6.946
238 1HG LYS 69 2HG LYS 69 1.627 5.275 5.523
239 2HG LYS 69 1HG LYS 69 0.417 4.001 5.452
240 1HD LYS 69 2HD LYS 69 0.764 4.428 3.169
241 2HD LYS 69 1HD LYS 69 -0.613 5.468 3.501
242 1HE LYS 69 2HE LYS 69 0.988 6.802 2.289
243 2HE LYS 69 1HE LYS 69 1.040 7.345 3.960
244 1HZ LYS 69 1HZ LYS 69 2.879 5.270 2.950
245 2HZ LYS 69 3HZ LYS 69 3.233 6.924 2.801
246 3HZ LYS 69 2HZ LYS 69 3.030 6.233 4.340
247 H ALA 70 H ALA 70 -1.666 5.190 8.968
248 HA ALA 70 HA ALA 70 -4.169 6.651 9.254
249 1HB ALA 70 1HB ALA 70 -1.979 5.787 11.201
250 2HB ALA 70 3HB ALA 70 -3.408 6.672 11.727
251 3HB ALA 70 2HB ALA 70 -3.578 5.075 11.005
No H/Q in entry = 251
Start of MODEL 37
1 1H ASP 39 2H ASP 39 -9.276 -15.202 -5.808
2 2H ASP 39 1H ASP 39 -9.435 -16.283 -7.109
3 3H ASP 39 3H ASP 39 -7.911 -15.643 -6.717
4 HA ASP 39 HA ASP 39 -8.515 -14.402 -8.541
5 1HB ASP 39 2HB ASP 39 -11.269 -13.976 -7.284
6 2HB ASP 39 1HB ASP 39 -10.779 -13.606 -8.936
7 H ARG 40 H ARG 40 -9.397 -11.959 -8.587
8 HA ARG 40 HA ARG 40 -8.989 -10.603 -5.988
9 1HB ARG 40 2HB ARG 40 -6.699 -11.115 -7.173
10 2HB ARG 40 1HB ARG 40 -7.179 -9.893 -8.344
11 1HG ARG 40 2HG ARG 40 -7.615 -8.383 -6.260
12 2HG ARG 40 1HG ARG 40 -6.648 -9.565 -5.384
13 1HD ARG 40 2HD ARG 40 -5.808 -7.672 -7.565
14 2HD ARG 40 1HD ARG 40 -4.969 -8.087 -6.069
15 HE ARG 40 HE ARG 40 -5.133 -9.934 -8.449
16 1HH1 ARG 40 HH1 ARG 40 -4.261 -10.748 -5.581
17 2HH1 ARG 40 HH1 ARG 40 -2.540 -10.781 -5.775
18 1HH2 ARG 40 HH2 ARG 40 -2.650 -9.027 -8.809
19 2HH2 ARG 40 HH2 ARG 40 -1.603 -9.779 -7.652
20 HA PRO 41 HA PRO 41 -11.703 -8.444 -9.084
21 1HB PRO 41 2HB PRO 41 -13.979 -8.441 -7.334
22 2HB PRO 41 1HB PRO 41 -13.727 -9.529 -8.704
23 1HG PRO 41 2HG PRO 41 -13.552 -10.145 -5.819
24 2HG PRO 41 1HG PRO 41 -13.586 -11.270 -7.184
25 1HD PRO 41 1HD PRO 41 -11.280 -10.495 -5.603
26 2HD PRO 41 2HD PRO 41 -11.306 -11.574 -7.008
27 H TYR 42 H TYR 42 -10.981 -8.008 -5.687
28 HA TYR 42 HA TYR 42 -11.879 -5.171 -5.783
29 1HB TYR 42 2HB TYR 42 -10.917 -7.004 -3.505
30 2HB TYR 42 1HB TYR 42 -11.128 -5.262 -3.292
31 HD1 TYR 42 HD2 TYR 42 -13.414 -4.290 -4.248
32 HD2 TYR 42 HD1 TYR 42 -12.812 -8.350 -3.144
33 HE1 TYR 42 HE2 TYR 42 -15.834 -4.589 -4.065
34 HE2 TYR 42 HE1 TYR 42 -15.235 -8.652 -2.960
35 HH TYR 42 HH TYR 42 -17.264 -7.730 -3.627
36 H SER 43 H SER 43 -10.169 -5.006 -7.455
37 HA SER 43 HA SER 43 -7.526 -4.284 -6.190
38 1HB SER 43 2HB SER 43 -6.597 -4.575 -8.502
39 2HB SER 43 1HB SER 43 -7.479 -6.045 -8.044
40 HG SER 43 HG SER 43 -9.367 -4.835 -8.958
41 H CYS 44 H CYS 44 -7.471 -2.161 -5.795
42 HA CYS 44 HA CYS 44 -9.065 -0.308 -7.526
43 1HB CYS 44 2HB CYS 44 -9.184 0.260 -5.218
44 2HB CYS 44 1HB CYS 44 -7.484 -0.026 -4.968
45 H ASP 45 H ASP 45 -8.192 0.440 -9.325
46 HA ASP 45 HA ASP 45 -5.243 0.623 -9.608
47 1HB ASP 45 2HB ASP 45 -6.858 -0.379 -11.376
48 2HB ASP 45 1HB ASP 45 -7.354 1.278 -11.708
49 H HIS 46 H HIS 46 -5.697 2.500 -7.857
50 HA HIS 46 HA HIS 46 -6.405 5.036 -9.195
51 1HB HIS 46 2HB HIS 46 -7.164 4.629 -6.873
52 2HB HIS 46 1HB HIS 46 -5.515 4.311 -6.357
53 HD1 HIS 46 HD1 HIS 46 -7.647 7.100 -7.393
54 HD2 HIS 46 HD2 HIS 46 -3.955 6.537 -5.835
55 HE1 HIS 46 HE1 HIS 46 -6.910 9.318 -6.756
56 HA PRO 47 HA PRO 47 -2.225 5.942 -10.464
57 1HB PRO 47 2HB PRO 47 -2.431 8.740 -9.455
58 2HB PRO 47 1HB PRO 47 -2.261 8.173 -11.123
59 1HG PRO 47 2HG PRO 47 -4.668 9.159 -9.874
60 2HG PRO 47 1HG PRO 47 -4.530 8.454 -11.490
61 1HD PRO 47 1HD PRO 47 -5.783 7.270 -9.164
62 2HD PRO 47 2HD PRO 47 -5.608 6.545 -10.767
63 H GLY 48 H GLY 48 -0.502 5.305 -9.357
64 1HA GLY 48 2HA GLY 48 1.124 5.203 -7.652
65 2HA GLY 48 1HA GLY 48 0.367 6.617 -6.920
66 H CYS 49 H CYS 49 -0.677 3.275 -7.623
67 HA CYS 49 HA CYS 49 -1.260 2.912 -4.709
68 1HB CYS 49 2HB CYS 49 -3.310 3.664 -5.914
69 2HB CYS 49 1HB CYS 49 -3.120 2.359 -7.059
70 H ASP 50 H ASP 50 -0.526 0.994 -3.979
71 HA ASP 50 HA ASP 50 0.136 -1.162 -5.984
72 1HB ASP 50 2HB ASP 50 1.218 -0.837 -3.141
73 2HB ASP 50 1HB ASP 50 1.865 -1.870 -4.413
74 H LYS 51 H LYS 51 -2.426 -0.620 -4.580
75 HA LYS 51 HA LYS 51 -3.093 -2.352 -2.504
76 1HB LYS 51 2HB LYS 51 -5.341 -2.147 -3.285
77 2HB LYS 51 1HB LYS 51 -4.555 -0.709 -3.821
78 1HG LYS 51 2HG LYS 51 -5.227 -3.099 -5.491
79 2HG LYS 51 1HG LYS 51 -5.812 -1.462 -5.666
80 1HD LYS 51 2HD LYS 51 -3.422 -0.737 -6.077
81 2HD LYS 51 1HD LYS 51 -3.002 -2.426 -6.172
82 1HE LYS 51 2HE LYS 51 -5.287 -1.971 -7.876
83 2HE LYS 51 1HE LYS 51 -4.013 -0.824 -8.273
84 1HZ LYS 51 2HZ LYS 51 -2.494 -2.855 -8.199
85 2HZ LYS 51 1HZ LYS 51 -3.924 -3.765 -8.321
86 3HZ LYS 51 3HZ LYS 51 -3.514 -2.659 -9.544
87 H ALA 52 H ALA 52 -4.954 -3.953 -3.173
88 HA ALA 52 HA ALA 52 -5.084 -5.917 -4.994
89 1HB ALA 52 1HB ALA 52 -2.497 -6.225 -3.439
90 2HB ALA 52 3HB ALA 52 -3.338 -7.669 -3.990
91 3HB ALA 52 2HB ALA 52 -2.782 -6.476 -5.156
92 H PHE 53 H PHE 53 -6.921 -6.728 -4.187
93 HA PHE 53 HA PHE 53 -6.869 -7.847 -1.403
94 1HB PHE 53 2HB PHE 53 -9.081 -6.107 -2.536
95 2HB PHE 53 1HB PHE 53 -9.013 -6.720 -0.920
96 HD1 PHE 53 HD1 PHE 53 -6.320 -6.133 0.028
97 HD2 PHE 53 HD2 PHE 53 -8.739 -3.804 -2.607
98 HE1 PHE 53 HE1 PHE 53 -4.997 -4.135 0.559
99 HE2 PHE 53 HE2 PHE 53 -7.417 -1.827 -2.063
100 HZ PHE 53 HZ PHE 53 -5.534 -1.983 -0.506
101 H VAL 54 H VAL 54 -8.930 -8.950 -0.904
102 HA VAL 54 HA VAL 54 -10.001 -10.457 -3.271
103 HB VAL 54 HB VAL 54 -10.155 -12.374 -1.431
104 1HG1 VAL 54 2HG1 VAL 54 -7.501 -11.462 -2.593
105 2HG1 VAL 54 1HG1 VAL 54 -7.810 -13.071 -1.950
106 3HG1 VAL 54 3HG1 VAL 54 -8.673 -12.513 -3.380
107 1HG2 VAL 54 1HG2 VAL 54 -9.515 -10.772 0.420
108 2HG2 VAL 54 3HG2 VAL 54 -8.519 -12.222 0.350
109 3HG2 VAL 54 2HG2 VAL 54 -7.901 -10.698 -0.281
110 H ARG 55 H ARG 55 -10.457 -9.143 -0.054
111 HA ARG 55 HA ARG 55 -13.332 -9.817 -0.015
112 1HB ARG 55 2HB ARG 55 -11.451 -8.322 1.882
113 2HB ARG 55 1HB ARG 55 -13.175 -8.468 2.196
114 1HG ARG 55 2HG ARG 55 -11.584 -10.973 1.588
115 2HG ARG 55 1HG ARG 55 -11.463 -10.261 3.193
116 1HD ARG 55 2HD ARG 55 -14.176 -10.754 1.955
117 2HD ARG 55 1HD ARG 55 -13.320 -12.051 2.785
118 HE ARG 55 HE ARG 55 -13.439 -9.615 4.372
119 1HH1 ARG 55 HH1 ARG 55 -14.152 -12.852 4.193
120 2HH1 ARG 55 HH1 ARG 55 -15.556 -12.806 5.204
121 1HH2 ARG 55 HH2 ARG 55 -15.618 -9.302 5.300
122 2HH2 ARG 55 HH2 ARG 55 -16.409 -10.742 5.848
123 H ASN 56 H ASN 56 -14.816 -7.920 0.649
124 HA ASN 56 HA ASN 56 -14.434 -5.799 -1.389
125 1HB ASN 56 2HB ASN 56 -16.637 -7.074 -1.004
126 2HB ASN 56 1HB ASN 56 -16.787 -6.197 0.517
127 1HD2 ASN 56 HD2 ASN 56 -18.567 -4.251 -2.132
128 2HD2 ASN 56 HD2 ASN 56 -18.728 -5.810 -1.483
129 H HIS 57 H HIS 57 -15.259 -5.894 2.090
130 HA HIS 57 HA HIS 57 -15.256 -3.188 2.648
131 1HB HIS 57 2HB HIS 57 -14.758 -3.783 4.928
132 2HB HIS 57 1HB HIS 57 -15.482 -5.243 4.267
133 HD1 HIS 57 HD1 HIS 57 -14.059 -7.213 4.593
134 HD2 HIS 57 HD2 HIS 57 -11.774 -3.869 4.732
135 HE1 HIS 57 HE1 HIS 57 -11.838 -8.013 5.141
136 H ASP 58 H ASP 58 -12.416 -5.162 2.005
137 HA ASP 58 HA ASP 58 -10.438 -3.350 2.876
138 1HB ASP 58 2HB ASP 58 -10.197 -5.745 1.824
139 2HB ASP 58 1HB ASP 58 -10.205 -4.919 0.268
140 H LEU 59 H LEU 59 -11.784 -3.668 -0.411
141 HA LEU 59 HA LEU 59 -10.552 -1.422 -1.573
142 1HB LEU 59 2HB LEU 59 -12.329 -3.286 -2.441
143 2HB LEU 59 1HB LEU 59 -13.485 -2.000 -2.156
144 HG LEU 59 HG LEU 59 -12.812 -1.845 -4.462
145 1HD1 LEU 59 HD1 LEU 59 -12.889 0.281 -2.999
146 2HD1 LEU 59 HD1 LEU 59 -11.134 0.274 -3.094
147 3HD1 LEU 59 HD1 LEU 59 -12.091 0.416 -4.561
148 1HD2 LEU 59 HD2 LEU 59 -10.549 -3.112 -3.922
149 2HD2 LEU 59 HD2 LEU 59 -10.622 -2.011 -5.285
150 3HD2 LEU 59 HD2 LEU 59 -9.885 -1.497 -3.776
151 H ILE 60 H ILE 60 -13.324 -1.581 0.591
152 HA ILE 60 HA ILE 60 -14.078 1.173 0.222
153 HB ILE 60 HB ILE 60 -14.556 -0.519 2.710
154 1HG1 ILE 60 2HG1 ILE 60 -16.101 -0.497 0.092
155 2HG1 ILE 60 1HG1 ILE 60 -15.170 -1.844 0.733
156 1HG2 ILE 60 1HG2 ILE 60 -15.186 1.980 2.605
157 2HG2 ILE 60 3HG2 ILE 60 -16.312 1.565 1.317
158 3HG2 ILE 60 2HG2 ILE 60 -16.537 0.898 2.931
159 1HD1 ILE 60 HD1 ILE 60 -16.755 -1.439 2.882
160 2HD1 ILE 60 HD1 ILE 60 -17.819 -0.764 1.651
161 3HD1 ILE 60 HD1 ILE 60 -17.284 -2.435 1.528
162 H ARG 61 H ARG 61 -12.438 -0.476 2.884
163 HA ARG 61 HA ARG 61 -11.717 1.979 4.196
164 1HB ARG 61 2HB ARG 61 -11.817 -0.503 5.106
165 2HB ARG 61 1HB ARG 61 -10.179 -0.640 4.479
166 1HG ARG 61 2HG ARG 61 -9.558 1.399 5.816
167 2HG ARG 61 1HG ARG 61 -11.173 1.383 6.517
168 1HD ARG 61 2HD ARG 61 -10.630 -1.098 7.150
169 2HD ARG 61 1HD ARG 61 -8.952 -0.636 6.865
170 HE ARG 61 HE ARG 61 -9.026 0.632 8.860
171 1HH1 ARG 61 HH2 ARG 61 -11.147 2.471 8.482
172 2HH1 ARG 61 HH2 ARG 61 -12.417 1.929 9.529
173 1HH2 ARG 61 HH1 ARG 61 -11.040 -1.275 9.872
174 2HH2 ARG 61 HH1 ARG 61 -12.355 -0.248 10.337
175 H HIS 62 H HIS 62 -10.497 0.382 1.451
176 HA HIS 62 HA HIS 62 -7.786 1.519 1.717
177 1HB HIS 62 2HB HIS 62 -7.776 -0.665 0.731
178 2HB HIS 62 1HB HIS 62 -9.149 -0.290 -0.276
179 HD1 HIS 62 HD1 HIS 62 -5.580 -0.136 -0.321
180 HD2 HIS 62 HD2 HIS 62 -8.604 1.459 -2.498
181 HE1 HIS 62 HE1 HIS 62 -4.505 0.809 -2.294
182 H LYS 63 H LYS 63 -10.621 1.877 -0.401
183 HA LYS 63 HA LYS 63 -9.487 3.879 -2.099
184 1HB LYS 63 2HB LYS 63 -11.559 2.726 -2.731
185 2HB LYS 63 1HB LYS 63 -12.372 3.263 -1.265
186 1HG LYS 63 2HG LYS 63 -12.437 5.533 -2.008
187 2HG LYS 63 1HG LYS 63 -11.270 5.229 -3.290
188 1HD LYS 63 2HD LYS 63 -12.857 3.918 -4.535
189 2HD LYS 63 1HD LYS 63 -13.983 3.877 -3.181
190 1HE LYS 63 2HE LYS 63 -14.266 5.651 -5.190
191 2HE LYS 63 1HE LYS 63 -14.701 6.061 -3.535
192 1HZ LYS 63 3HZ LYS 63 -12.021 6.578 -4.690
193 2HZ LYS 63 2HZ LYS 63 -13.278 7.720 -4.685
194 3HZ LYS 63 1HZ LYS 63 -12.641 7.151 -3.217
195 H LYS 64 H LYS 64 -10.847 4.038 1.102
196 HA LYS 64 HA LYS 64 -11.544 6.777 1.226
197 1HB LYS 64 2HB LYS 64 -11.825 4.901 3.014
198 2HB LYS 64 1HB LYS 64 -10.166 5.243 3.478
199 1HG LYS 64 2HG LYS 64 -11.299 6.682 4.932
200 2HG LYS 64 1HG LYS 64 -11.036 7.764 3.573
201 1HD LYS 64 2HD LYS 64 -13.368 7.966 4.224
202 2HD LYS 64 1HD LYS 64 -13.324 7.107 2.693
203 1HE LYS 64 2HE LYS 64 -14.063 5.117 3.641
204 2HE LYS 64 1HE LYS 64 -13.217 5.398 5.160
205 1HZ LYS 64 3HZ LYS 64 -15.606 6.939 4.339
206 2HZ LYS 64 2HZ LYS 64 -15.690 5.517 5.262
207 3HZ LYS 64 1HZ LYS 64 -14.879 6.879 5.873
208 H SER 65 H SER 65 -8.426 5.285 1.050
209 HA SER 65 HA SER 65 -6.977 7.582 2.135
210 1HB SER 65 2HB SER 65 -4.970 6.316 1.429
211 2HB SER 65 1HB SER 65 -6.126 5.149 2.101
212 HG SER 65 HG SER 65 -5.288 5.511 -0.488
213 H HIS 66 H HIS 66 -8.484 6.945 -0.822
214 HA HIS 66 HA HIS 66 -6.602 8.671 -2.366
215 1HB HIS 66 2HB HIS 66 -9.064 7.031 -3.129
216 2HB HIS 66 1HB HIS 66 -8.205 8.062 -4.273
217 HD1 HIS 66 HD1 HIS 66 -5.387 7.357 -3.414
218 HD2 HIS 66 HD2 HIS 66 -8.251 4.552 -3.978
219 HE1 HIS 66 HE1 HIS 66 -4.175 5.302 -3.878
220 H GLN 67 H GLN 67 -9.845 8.671 -1.015
221 HA GLN 67 HA GLN 67 -11.597 10.283 -1.256
222 1HB GLN 67 2HB GLN 67 -10.707 12.494 -0.211
223 2HB GLN 67 1HB GLN 67 -10.500 11.040 0.754
224 1HG GLN 67 2HG GLN 67 -8.174 10.843 0.065
225 2HG GLN 67 1HG GLN 67 -8.359 12.175 -1.073
226 1HE2 GLN 67 2HE2 GLN 67 -7.768 12.946 2.873
227 2HE2 GLN 67 1HE2 GLN 67 -7.927 11.354 2.307
228 H GLU 68 H GLU 68 -11.205 10.005 -3.721
229 HA GLU 68 HA GLU 68 -9.986 12.231 -5.115
230 1HB GLU 68 2HB GLU 68 -11.803 9.913 -5.882
231 2HB GLU 68 1HB GLU 68 -11.461 11.171 -7.063
232 1HG GLU 68 2HG GLU 68 -9.169 9.880 -5.561
233 2HG GLU 68 1HG GLU 68 -9.890 9.041 -6.931
234 H LYS 69 H LYS 69 -11.917 13.032 -3.116
235 HA LYS 69 HA LYS 69 -13.730 14.498 -2.871
236 1HB LYS 69 2HB LYS 69 -12.063 15.794 -4.349
237 2HB LYS 69 1HB LYS 69 -13.013 15.279 -5.738
238 1HG LYS 69 2HG LYS 69 -15.042 16.300 -4.620
239 2HG LYS 69 1HG LYS 69 -13.960 16.966 -3.401
240 1HD LYS 69 2HD LYS 69 -12.635 17.988 -5.353
241 2HD LYS 69 1HD LYS 69 -14.009 17.566 -6.370
242 1HE LYS 69 2HE LYS 69 -14.366 19.831 -5.646
243 2HE LYS 69 1HE LYS 69 -15.478 18.830 -4.719
244 1HZ LYS 69 2HZ LYS 69 -12.811 19.686 -3.746
245 2HZ LYS 69 1HZ LYS 69 -14.262 20.490 -3.382
246 3HZ LYS 69 3HZ LYS 69 -14.020 18.893 -2.856
247 H ALA 70 H ALA 70 -15.019 12.412 -3.070
248 HA ALA 70 HA ALA 70 -16.871 11.255 -3.929
249 1HB ALA 70 2HB ALA 70 -17.770 13.621 -3.482
250 2HB ALA 70 1HB ALA 70 -17.500 13.970 -5.187
251 3HB ALA 70 3HB ALA 70 -18.657 12.729 -4.715
No H/Q in entry = 251
Start of MODEL 38
1 1H ASP 39 1H ASP 39 -9.346 -13.890 -7.169
2 2H ASP 39 3H ASP 39 -8.551 -15.377 -7.371
3 3H ASP 39 2H ASP 39 -8.371 -14.508 -5.923
4 HA ASP 39 HA ASP 39 -6.399 -14.180 -7.129
5 1HB ASP 39 2HB ASP 39 -6.644 -13.085 -9.481
6 2HB ASP 39 1HB ASP 39 -7.059 -14.794 -9.382
7 H ARG 40 H ARG 40 -8.191 -12.726 -5.378
8 HA ARG 40 HA ARG 40 -8.602 -10.541 -4.618
9 1HB ARG 40 2HB ARG 40 -5.914 -9.853 -5.872
10 2HB ARG 40 1HB ARG 40 -6.554 -9.360 -4.307
11 1HG ARG 40 2HG ARG 40 -6.451 -11.815 -3.627
12 2HG ARG 40 1HG ARG 40 -5.555 -12.108 -5.108
13 1HD ARG 40 2HD ARG 40 -3.851 -11.751 -3.504
14 2HD ARG 40 1HD ARG 40 -3.994 -10.179 -4.289
15 HE ARG 40 HE ARG 40 -5.746 -9.936 -2.190
16 1HH1 ARG 40 HH1 ARG 40 -3.379 -12.106 -1.622
17 2HH1 ARG 40 HH1 ARG 40 -2.508 -11.199 -0.432
18 1HH2 ARG 40 HH2 ARG 40 -4.303 -8.256 -1.068
19 2HH2 ARG 40 HH2 ARG 40 -3.045 -8.962 -0.110
20 HA PRO 41 HA PRO 41 -9.565 -9.031 -8.941
21 1HB PRO 41 2HB PRO 41 -12.391 -8.848 -8.243
22 2HB PRO 41 1HB PRO 41 -11.642 -9.989 -9.366
23 1HG PRO 41 2HG PRO 41 -12.685 -10.532 -6.686
24 2HG PRO 41 1HG PRO 41 -12.026 -11.691 -7.850
25 1HD PRO 41 1HD PRO 41 -10.757 -10.688 -5.433
26 2HD PRO 41 2HD PRO 41 -10.099 -11.848 -6.599
27 H TYR 42 H TYR 42 -10.097 -8.061 -5.705
28 HA TYR 42 HA TYR 42 -11.133 -5.406 -6.366
29 1HB TYR 42 2HB TYR 42 -10.223 -6.776 -3.789
30 2HB TYR 42 1HB TYR 42 -10.604 -5.056 -3.822
31 HD1 TYR 42 HD2 TYR 42 -12.884 -4.380 -4.854
32 HD2 TYR 42 HD1 TYR 42 -11.996 -8.326 -3.548
33 HE1 TYR 42 HE2 TYR 42 -15.279 -4.867 -4.709
34 HE2 TYR 42 HE1 TYR 42 -14.393 -8.816 -3.402
35 HH TYR 42 HH TYR 42 -16.456 -7.954 -3.451
36 H SER 43 H SER 43 -9.224 -5.317 -7.864
37 HA SER 43 HA SER 43 -6.744 -4.340 -6.521
38 1HB SER 43 2HB SER 43 -6.521 -5.868 -8.500
39 2HB SER 43 1HB SER 43 -7.421 -4.707 -9.495
40 HG SER 43 HG SER 43 -5.838 -3.215 -9.203
41 H CYS 44 H CYS 44 -7.401 -2.370 -5.699
42 HA CYS 44 HA CYS 44 -8.939 -0.417 -7.089
43 1HB CYS 44 2HB CYS 44 -8.680 0.058 -4.821
44 2HB CYS 44 1HB CYS 44 -7.008 -0.430 -4.796
45 H ASP 45 H ASP 45 -8.490 0.752 -8.807
46 HA ASP 45 HA ASP 45 -5.659 0.959 -9.738
47 1HB ASP 45 2HB ASP 45 -6.801 1.835 -11.851
48 2HB ASP 45 1HB ASP 45 -7.302 0.204 -11.415
49 H HIS 46 H HIS 46 -5.961 2.497 -7.559
50 HA HIS 46 HA HIS 46 -6.877 5.165 -8.235
51 1HB HIS 46 2HB HIS 46 -7.008 4.469 -5.925
52 2HB HIS 46 1HB HIS 46 -5.354 3.890 -5.931
53 HD1 HIS 46 HD1 HIS 46 -7.253 6.760 -5.156
54 HD2 HIS 46 HD2 HIS 46 -3.380 6.048 -6.096
55 HE1 HIS 46 HE1 HIS 46 -6.077 8.734 -4.406
56 HA PRO 47 HA PRO 47 -3.325 6.664 -10.423
57 1HB PRO 47 2HB PRO 47 -3.178 9.056 -8.627
58 2HB PRO 47 1HB PRO 47 -3.453 8.991 -10.372
59 1HG PRO 47 2HG PRO 47 -5.444 9.458 -8.366
60 2HG PRO 47 1HG PRO 47 -5.748 9.138 -10.078
61 1HD PRO 47 1HD PRO 47 -6.288 7.376 -7.830
62 2HD PRO 47 2HD PRO 47 -6.595 7.056 -9.545
63 H GLY 48 H GLY 48 -1.754 5.239 -9.836
64 1HA GLY 48 2HA GLY 48 0.402 4.805 -8.931
65 2HA GLY 48 1HA GLY 48 0.185 6.158 -7.823
66 H CYS 49 H CYS 49 -0.999 2.855 -8.462
67 HA CYS 49 HA CYS 49 -0.869 2.327 -5.536
68 1HB CYS 49 2HB CYS 49 -3.164 3.096 -5.985
69 2HB CYS 49 1HB CYS 49 -3.322 1.950 -7.291
70 H ASP 50 H ASP 50 -1.084 0.084 -5.009
71 HA ASP 50 HA ASP 50 -0.986 -1.927 -7.122
72 1HB ASP 50 2HB ASP 50 1.509 -1.102 -5.557
73 2HB ASP 50 1HB ASP 50 1.372 -2.680 -6.327
74 H LYS 51 H LYS 51 -2.272 -1.161 -4.483
75 HA LYS 51 HA LYS 51 -1.541 -3.455 -2.751
76 1HB LYS 51 2HB LYS 51 -3.374 -1.049 -2.503
77 2HB LYS 51 1HB LYS 51 -3.457 -2.359 -1.331
78 1HG LYS 51 2HG LYS 51 -1.925 -0.590 -0.539
79 2HG LYS 51 1HG LYS 51 -1.040 -2.079 -0.849
80 1HD LYS 51 2HD LYS 51 -0.108 -1.251 -2.869
81 2HD LYS 51 1HD LYS 51 -1.300 0.039 -2.994
82 1HE LYS 51 2HE LYS 51 0.825 0.989 -2.252
83 2HE LYS 51 1HE LYS 51 -0.330 1.077 -0.929
84 1HZ LYS 51 1HZ LYS 51 0.635 -1.003 -0.063
85 2HZ LYS 51 3HZ LYS 51 1.818 -0.937 -1.280
86 3HZ LYS 51 2HZ LYS 51 1.744 0.283 -0.101
87 H ALA 52 H ALA 52 -2.371 -5.346 -3.470
88 HA ALA 52 HA ALA 52 -4.966 -5.498 -4.802
89 1HB ALA 52 3HB ALA 52 -3.063 -7.086 -5.266
90 2HB ALA 52 2HB ALA 52 -3.217 -7.713 -3.628
91 3HB ALA 52 1HB ALA 52 -4.527 -7.936 -4.782
92 H PHE 53 H PHE 53 -6.640 -7.027 -3.993
93 HA PHE 53 HA PHE 53 -6.788 -7.296 -1.046
94 1HB PHE 53 2HB PHE 53 -8.591 -5.485 -2.703
95 2HB PHE 53 1HB PHE 53 -9.090 -6.089 -1.128
96 HD1 PHE 53 HD1 PHE 53 -7.490 -5.644 0.859
97 HD2 PHE 53 HD2 PHE 53 -7.150 -3.606 -2.869
98 HE1 PHE 53 HE1 PHE 53 -6.171 -3.876 1.937
99 HE2 PHE 53 HE2 PHE 53 -5.836 -1.842 -1.780
100 HZ PHE 53 HZ PHE 53 -5.342 -1.978 0.619
101 H VAL 54 H VAL 54 -8.366 -8.709 -0.324
102 HA VAL 54 HA VAL 54 -9.456 -10.517 -2.440
103 HB VAL 54 HB VAL 54 -9.419 -10.973 0.582
104 1HG1 VAL 54 1HG1 VAL 54 -10.808 -12.467 -0.871
105 2HG1 VAL 54 3HG1 VAL 54 -9.359 -12.883 -1.781
106 3HG1 VAL 54 2HG1 VAL 54 -9.491 -13.331 -0.082
107 1HG2 VAL 54 2HG2 VAL 54 -7.252 -11.520 -1.466
108 2HG2 VAL 54 1HG2 VAL 54 -7.125 -10.482 -0.053
109 3HG2 VAL 54 3HG2 VAL 54 -7.274 -12.226 0.144
110 H ARG 55 H ARG 55 -10.452 -8.865 0.552
111 HA ARG 55 HA ARG 55 -13.288 -9.488 0.006
112 1HB ARG 55 2HB ARG 55 -12.141 -7.637 2.150
113 2HB ARG 55 1HB ARG 55 -13.692 -8.464 2.175
114 1HG ARG 55 2HG ARG 55 -10.964 -9.805 2.262
115 2HG ARG 55 1HG ARG 55 -12.074 -9.644 3.616
116 1HD ARG 55 2HD ARG 55 -13.797 -10.861 2.063
117 2HD ARG 55 1HD ARG 55 -12.376 -11.331 1.129
118 HE ARG 55 HE ARG 55 -11.639 -12.688 2.970
119 1HH1 ARG 55 HH1 ARG 55 -13.544 -10.353 4.376
120 2HH1 ARG 55 HH1 ARG 55 -14.361 -11.399 5.485
121 1HH2 ARG 55 HH2 ARG 55 -13.049 -14.303 4.027
122 2HH2 ARG 55 HH2 ARG 55 -14.076 -13.694 5.283
123 H ASN 56 H ASN 56 -14.854 -7.594 0.273
124 HA ASN 56 HA ASN 56 -14.107 -5.577 -1.752
125 1HB ASN 56 2HB ASN 56 -16.383 -6.847 -1.567
126 2HB ASN 56 1HB ASN 56 -16.746 -5.759 -0.228
127 1HD2 ASN 56 HD2 ASN 56 -17.861 -4.320 -3.577
128 2HD2 ASN 56 HD2 ASN 56 -18.076 -5.856 -2.888
129 H HIS 57 H HIS 57 -15.471 -5.504 1.552
130 HA HIS 57 HA HIS 57 -15.484 -2.773 2.023
131 1HB HIS 57 2HB HIS 57 -14.324 -4.756 4.036
132 2HB HIS 57 1HB HIS 57 -15.278 -3.314 4.376
133 HD1 HIS 57 HD1 HIS 57 -15.795 -6.658 4.417
134 HD2 HIS 57 HD2 HIS 57 -17.930 -3.671 2.701
135 HE1 HIS 57 HE1 HIS 57 -18.009 -7.586 4.110
136 H ASP 58 H ASP 58 -12.653 -4.919 2.359
137 HA ASP 58 HA ASP 58 -10.765 -3.108 3.305
138 1HB ASP 58 2HB ASP 58 -10.322 -5.080 1.003
139 2HB ASP 58 1HB ASP 58 -9.085 -4.459 2.093
140 H LEU 59 H LEU 59 -11.792 -3.550 -0.052
141 HA LEU 59 HA LEU 59 -10.082 -1.534 -1.169
142 1HB LEU 59 2HB LEU 59 -11.721 -3.459 -2.203
143 2HB LEU 59 1HB LEU 59 -12.837 -2.111 -2.335
144 HG LEU 59 HG LEU 59 -11.574 -2.383 -4.421
145 1HD1 LEU 59 HD1 LEU 59 -12.174 -0.072 -3.417
146 2HD1 LEU 59 HD1 LEU 59 -10.462 0.082 -3.063
147 3HD1 LEU 59 HD1 LEU 59 -10.999 -0.103 -4.725
148 1HD2 LEU 59 HD2 LEU 59 -9.461 -3.248 -2.932
149 2HD2 LEU 59 HD2 LEU 59 -9.266 -2.626 -4.566
150 3HD2 LEU 59 HD2 LEU 59 -8.944 -1.590 -3.186
151 H ILE 60 H ILE 60 -13.302 -1.439 0.259
152 HA ILE 60 HA ILE 60 -13.831 1.293 -0.491
153 HB ILE 60 HB ILE 60 -14.940 -0.211 1.926
154 1HG1 ILE 60 2HG1 ILE 60 -15.773 -0.348 -0.995
155 2HG1 ILE 60 1HG1 ILE 60 -15.158 -1.669 -0.014
156 1HG2 ILE 60 3HG2 ILE 60 -15.419 2.316 1.480
157 2HG2 ILE 60 2HG2 ILE 60 -16.304 1.788 0.052
158 3HG2 ILE 60 1HG2 ILE 60 -16.835 1.286 1.655
159 1HD1 ILE 60 HD1 ILE 60 -17.169 -1.157 1.566
160 2HD1 ILE 60 HD1 ILE 60 -17.822 -0.261 0.196
161 3HD1 ILE 60 HD1 ILE 60 -17.505 -1.985 0.048
162 H ARG 61 H ARG 61 -12.371 -0.257 2.296
163 HA ARG 61 HA ARG 61 -12.107 2.274 3.755
164 1HB ARG 61 2HB ARG 61 -12.356 0.165 5.018
165 2HB ARG 61 1HB ARG 61 -10.972 -0.543 4.195
166 1HG ARG 61 2HG ARG 61 -9.450 1.010 5.259
167 2HG ARG 61 1HG ARG 61 -10.784 1.964 5.896
168 1HD ARG 61 2HD ARG 61 -11.375 0.293 7.473
169 2HD ARG 61 1HD ARG 61 -10.490 -0.964 6.607
170 HE ARG 61 HE ARG 61 -8.683 -0.366 7.988
171 1HH1 ARG 61 HH2 ARG 61 -10.888 1.926 8.699
172 2HH1 ARG 61 HH2 ARG 61 -9.795 3.261 8.854
173 1HH2 ARG 61 HH1 ARG 61 -7.105 1.477 7.483
174 2HH2 ARG 61 HH1 ARG 61 -7.595 3.000 8.147
175 H HIS 62 H HIS 62 -10.258 0.362 1.523
176 HA HIS 62 HA HIS 62 -7.737 1.715 2.125
177 1HB HIS 62 2HB HIS 62 -7.416 -0.521 1.325
178 2HB HIS 62 1HB HIS 62 -8.649 -0.341 0.104
179 HD1 HIS 62 HD1 HIS 62 -5.124 0.153 0.580
180 HD2 HIS 62 HD2 HIS 62 -7.883 1.132 -2.230
181 HE1 HIS 62 HE1 HIS 62 -3.813 0.881 -1.325
182 H LYS 63 H LYS 63 -10.407 2.147 -0.021
183 HA LYS 63 HA LYS 63 -8.865 4.227 -1.555
184 1HB LYS 63 2HB LYS 63 -10.464 2.355 -2.580
185 2HB LYS 63 1HB LYS 63 -11.774 3.399 -2.061
186 1HG LYS 63 2HG LYS 63 -10.676 5.293 -3.327
187 2HG LYS 63 1HG LYS 63 -9.483 4.147 -3.920
188 1HD LYS 63 2HD LYS 63 -11.030 4.094 -5.678
189 2HD LYS 63 1HD LYS 63 -11.625 2.763 -4.692
190 1HE LYS 63 2HE LYS 63 -13.502 4.212 -5.322
191 2HE LYS 63 1HE LYS 63 -13.229 4.351 -3.593
192 1HZ LYS 63 1HZ LYS 63 -11.641 6.279 -4.528
193 2HZ LYS 63 3HZ LYS 63 -12.889 6.317 -5.678
194 3HZ LYS 63 2HZ LYS 63 -13.247 6.525 -4.031
195 H LYS 64 H LYS 64 -10.490 4.102 1.294
196 HA LYS 64 HA LYS 64 -12.518 5.915 1.421
197 1HB LYS 64 2HB LYS 64 -10.876 4.830 3.307
198 2HB LYS 64 1HB LYS 64 -10.291 6.486 3.352
199 1HG LYS 64 2HG LYS 64 -13.188 5.626 3.721
200 2HG LYS 64 1HG LYS 64 -12.105 6.146 5.005
201 1HD LYS 64 2HD LYS 64 -11.845 8.349 3.820
202 2HD LYS 64 1HD LYS 64 -13.057 7.820 2.662
203 1HE LYS 64 2HE LYS 64 -14.670 7.488 4.532
204 2HE LYS 64 1HE LYS 64 -13.465 8.115 5.649
205 1HZ LYS 64 1HZ LYS 64 -13.428 10.159 4.217
206 2HZ LYS 64 3HZ LYS 64 -14.811 9.550 3.440
207 3HZ LYS 64 2HZ LYS 64 -14.857 9.905 5.100
208 H SER 65 H SER 65 -9.220 6.642 1.295
209 HA SER 65 HA SER 65 -9.531 9.035 -0.360
210 1HB SER 65 2HB SER 65 -9.931 10.194 1.792
211 2HB SER 65 1HB SER 65 -8.698 9.215 2.612
212 HG SER 65 HG SER 65 -7.383 10.740 1.995
213 H HIS 66 H HIS 66 -8.609 6.486 -0.337
214 HA HIS 66 HA HIS 66 -6.872 5.229 -0.853
215 1HB HIS 66 2HB HIS 66 -6.480 7.486 -2.348
216 2HB HIS 66 1HB HIS 66 -5.010 7.532 -1.373
217 HD1 HIS 66 HD1 HIS 66 -3.395 6.532 -3.014
218 HD2 HIS 66 HD2 HIS 66 -6.738 4.210 -2.827
219 HE1 HIS 66 HE1 HIS 66 -2.795 4.455 -4.122
220 H GLN 67 H GLN 67 -7.329 5.275 1.506
221 HA GLN 67 HA GLN 67 -5.380 6.238 3.343
222 1HB GLN 67 2HB GLN 67 -7.707 4.317 3.280
223 2HB GLN 67 1HB GLN 67 -6.549 4.011 4.567
224 1HG GLN 67 2HG GLN 67 -6.748 6.458 5.209
225 2HG GLN 67 1HG GLN 67 -8.073 6.574 4.058
226 1HE2 GLN 67 2HE2 GLN 67 -10.176 5.653 6.747
227 2HE2 GLN 67 1HE2 GLN 67 -9.737 6.870 5.647
228 H GLU 68 H GLU 68 -3.633 5.527 1.752
229 HA GLU 68 HA GLU 68 -2.800 2.814 1.543
230 1HB GLU 68 2HB GLU 68 -1.834 4.565 0.104
231 2HB GLU 68 1HB GLU 68 -1.219 5.440 1.500
232 1HG GLU 68 2HG GLU 68 0.393 3.727 1.979
233 2HG GLU 68 1HG GLU 68 -0.373 2.599 0.864
234 H LYS 69 H LYS 69 -0.889 1.857 2.576
235 HA LYS 69 HA LYS 69 -1.132 1.772 5.399
236 1HB LYS 69 2HB LYS 69 1.259 1.062 3.626
237 2HB LYS 69 1HB LYS 69 1.062 0.543 5.296
238 1HG LYS 69 2HG LYS 69 -0.967 -0.684 4.723
239 2HG LYS 69 1HG LYS 69 -0.912 -0.070 3.074
240 1HD LYS 69 2HD LYS 69 1.081 -1.300 2.580
241 2HD LYS 69 1HD LYS 69 1.368 -1.661 4.280
242 1HE LYS 69 2HE LYS 69 0.242 -3.475 2.684
243 2HE LYS 69 1HE LYS 69 -0.291 -3.300 4.352
244 1HZ LYS 69 2HZ LYS 69 -1.575 -1.639 2.316
245 2HZ LYS 69 1HZ LYS 69 -1.979 -3.288 2.372
246 3HZ LYS 69 3HZ LYS 69 -2.219 -2.309 3.739
247 H ALA 70 H ALA 70 1.145 2.019 6.675
248 HA ALA 70 HA ALA 70 2.455 3.613 7.784
249 1HB ALA 70 2HB ALA 70 3.687 3.342 5.572
250 2HB ALA 70 1HB ALA 70 2.778 4.714 4.947
251 3HB ALA 70 3HB ALA 70 3.898 4.936 6.287
No H/Q in entry = 251
Start of MODEL 39
1 1H ASP 39 3H ASP 39 -10.113 -13.521 -8.364
2 2H ASP 39 2H ASP 39 -9.745 -14.878 -9.316
3 3H ASP 39 1H ASP 39 -10.558 -15.072 -7.837
4 HA ASP 39 HA ASP 39 -8.639 -15.392 -6.845
5 1HB ASP 39 2HB ASP 39 -6.469 -14.970 -8.201
6 2HB ASP 39 1HB ASP 39 -7.590 -16.128 -8.912
7 H ARG 40 H ARG 40 -9.434 -13.570 -5.553
8 HA ARG 40 HA ARG 40 -9.176 -11.465 -4.532
9 1HB ARG 40 2HB ARG 40 -6.329 -12.290 -5.302
10 2HB ARG 40 1HB ARG 40 -6.651 -10.858 -4.334
11 1HG ARG 40 2HG ARG 40 -6.356 -12.414 -2.616
12 2HG ARG 40 1HG ARG 40 -8.086 -12.591 -2.856
13 1HD ARG 40 2HD ARG 40 -7.362 -14.420 -4.633
14 2HD ARG 40 1HD ARG 40 -5.858 -14.427 -3.716
15 HE ARG 40 HE ARG 40 -7.735 -14.676 -1.734
16 1HH1 ARG 40 HH2 ARG 40 -5.997 -16.808 -3.321
17 2HH1 ARG 40 HH2 ARG 40 -7.176 -18.067 -3.472
18 1HH2 ARG 40 HH1 ARG 40 -9.825 -15.976 -2.522
19 2HH2 ARG 40 HH1 ARG 40 -9.400 -17.583 -3.008
20 HA PRO 41 HA PRO 41 -8.812 -9.273 -8.599
21 1HB PRO 41 2HB PRO 41 -11.487 -8.213 -8.407
22 2HB PRO 41 1HB PRO 41 -10.965 -9.547 -9.439
23 1HG PRO 41 2HG PRO 41 -12.591 -9.674 -6.989
24 2HG PRO 41 1HG PRO 41 -12.247 -10.970 -8.144
25 1HD PRO 41 1HD PRO 41 -11.080 -10.594 -5.507
26 2HD PRO 41 2HD PRO 41 -10.726 -11.885 -6.668
27 H TYR 42 H TYR 42 -11.204 -7.704 -6.542
28 HA TYR 42 HA TYR 42 -11.054 -5.215 -6.324
29 1HB TYR 42 2HB TYR 42 -10.026 -6.822 -3.937
30 2HB TYR 42 1HB TYR 42 -10.532 -5.138 -3.842
31 HD1 TYR 42 HD2 TYR 42 -12.903 -4.615 -4.886
32 HD2 TYR 42 HD1 TYR 42 -11.669 -8.468 -3.582
33 HE1 TYR 42 HE2 TYR 42 -15.248 -5.295 -4.684
34 HE2 TYR 42 HE1 TYR 42 -14.012 -9.150 -3.380
35 HH TYR 42 HH TYR 42 -16.635 -7.092 -4.478
36 H SER 43 H SER 43 -9.273 -4.973 -7.896
37 HA SER 43 HA SER 43 -6.662 -4.308 -6.569
38 1HB SER 43 2HB SER 43 -6.719 -5.760 -8.691
39 2HB SER 43 1HB SER 43 -7.325 -4.341 -9.566
40 HG SER 43 HG SER 43 -5.354 -3.637 -9.565
41 H CYS 44 H CYS 44 -7.539 -2.379 -5.587
42 HA CYS 44 HA CYS 44 -8.848 -0.261 -6.824
43 1HB CYS 44 2HB CYS 44 -8.375 0.004 -4.531
44 2HB CYS 44 1HB CYS 44 -6.698 -0.423 -4.722
45 H ASP 45 H ASP 45 -8.394 1.168 -8.365
46 HA ASP 45 HA ASP 45 -5.628 1.147 -9.535
47 1HB ASP 45 2HB ASP 45 -7.787 0.599 -10.914
48 2HB ASP 45 1HB ASP 45 -8.144 2.321 -10.811
49 H HIS 46 H HIS 46 -5.831 2.627 -7.239
50 HA HIS 46 HA HIS 46 -6.563 5.359 -7.767
51 1HB HIS 46 2HB HIS 46 -6.523 4.533 -5.469
52 2HB HIS 46 1HB HIS 46 -4.873 3.960 -5.649
53 HD1 HIS 46 HD1 HIS 46 -6.729 6.932 -4.861
54 HD2 HIS 46 HD2 HIS 46 -2.880 5.994 -5.643
55 HE1 HIS 46 HE1 HIS 46 -5.467 8.858 -4.114
56 HA PRO 47 HA PRO 47 -3.096 6.683 -10.194
57 1HB PRO 47 2HB PRO 47 -2.679 9.051 -8.415
58 2HB PRO 47 1HB PRO 47 -3.115 9.013 -10.129
59 1HG PRO 47 2HG PRO 47 -4.887 9.559 -7.934
60 2HG PRO 47 1HG PRO 47 -5.357 9.308 -9.621
61 1HD PRO 47 1HD PRO 47 -5.822 7.524 -7.383
62 2HD PRO 47 2HD PRO 47 -6.272 7.261 -9.074
63 H GLY 48 H GLY 48 -1.555 5.189 -9.741
64 1HA GLY 48 2HA GLY 48 0.631 4.637 -8.978
65 2HA GLY 48 1HA GLY 48 0.539 5.962 -7.823
66 H CYS 49 H CYS 49 -0.965 2.789 -8.483
67 HA CYS 49 HA CYS 49 -0.511 2.020 -5.669
68 1HB CYS 49 2HB CYS 49 -2.665 3.214 -5.609
69 2HB CYS 49 1HB CYS 49 -3.278 2.238 -6.912
70 H ASP 50 H ASP 50 -1.238 -0.167 -5.239
71 HA ASP 50 HA ASP 50 -1.906 -1.974 -7.384
72 1HB ASP 50 2HB ASP 50 0.383 -3.193 -7.227
73 2HB ASP 50 1HB ASP 50 0.397 -1.665 -8.105
74 H LYS 51 H LYS 51 -2.478 -1.238 -4.553
75 HA LYS 51 HA LYS 51 -1.663 -3.553 -2.972
76 1HB LYS 51 2HB LYS 51 -2.216 -1.124 -2.146
77 2HB LYS 51 1HB LYS 51 -3.904 -1.601 -2.295
78 1HG LYS 51 2HG LYS 51 -3.490 -2.198 -0.067
79 2HG LYS 51 1HG LYS 51 -3.125 -3.717 -0.876
80 1HD LYS 51 2HD LYS 51 -0.676 -2.769 -1.021
81 2HD LYS 51 1HD LYS 51 -1.206 -1.648 0.225
82 1HE LYS 51 2HE LYS 51 -1.894 -3.559 1.647
83 2HE LYS 51 1HE LYS 51 -1.357 -4.677 0.400
84 1HZ LYS 51 3HZ LYS 51 0.807 -3.120 0.749
85 2HZ LYS 51 2HZ LYS 51 0.181 -3.197 2.327
86 3HZ LYS 51 1HZ LYS 51 0.563 -4.627 1.494
87 H ALA 52 H ALA 52 -2.484 -5.310 -4.179
88 HA ALA 52 HA ALA 52 -5.176 -5.586 -5.051
89 1HB ALA 52 1HB ALA 52 -3.296 -7.136 -5.678
90 2HB ALA 52 3HB ALA 52 -3.271 -7.753 -4.029
91 3HB ALA 52 2HB ALA 52 -4.679 -8.028 -5.050
92 H PHE 53 H PHE 53 -6.811 -7.032 -4.135
93 HA PHE 53 HA PHE 53 -6.717 -7.373 -1.181
94 1HB PHE 53 2HB PHE 53 -8.552 -5.492 -2.702
95 2HB PHE 53 1HB PHE 53 -9.113 -6.208 -1.203
96 HD1 PHE 53 HD1 PHE 53 -7.481 -5.959 0.857
97 HD2 PHE 53 HD2 PHE 53 -7.253 -3.530 -2.642
98 HE1 PHE 53 HE1 PHE 53 -6.280 -4.230 2.124
99 HE2 PHE 53 HE2 PHE 53 -6.052 -1.813 -1.367
100 HZ PHE 53 HZ PHE 53 -5.571 -2.156 1.011
101 H VAL 54 H VAL 54 -8.540 -8.606 -0.372
102 HA VAL 54 HA VAL 54 -9.640 -10.479 -2.457
103 HB VAL 54 HB VAL 54 -8.166 -11.489 -0.701
104 1HG1 VAL 54 1HG1 VAL 54 -8.895 -9.699 1.040
105 2HG1 VAL 54 3HG1 VAL 54 -10.222 -10.805 1.384
106 3HG1 VAL 54 2HG1 VAL 54 -8.560 -11.330 1.608
107 1HG2 VAL 54 2HG2 VAL 54 -10.090 -12.779 -1.634
108 2HG2 VAL 54 1HG2 VAL 54 -9.685 -13.268 0.009
109 3HG2 VAL 54 3HG2 VAL 54 -11.074 -12.225 -0.284
110 H ARG 55 H ARG 55 -10.416 -8.904 0.611
111 HA ARG 55 HA ARG 55 -13.308 -9.372 0.180
112 1HB ARG 55 2HB ARG 55 -11.551 -8.270 2.403
113 2HB ARG 55 1HB ARG 55 -13.248 -7.797 2.403
114 1HG ARG 55 2HG ARG 55 -13.993 -10.048 2.604
115 2HG ARG 55 1HG ARG 55 -12.430 -10.700 2.135
116 1HD ARG 55 2HD ARG 55 -12.697 -8.999 4.622
117 2HD ARG 55 1HD ARG 55 -13.053 -10.726 4.667
118 HE ARG 55 HE ARG 55 -10.466 -10.107 3.450
119 1HH1 ARG 55 HH2 ARG 55 -12.041 -12.003 5.625
120 2HH1 ARG 55 HH2 ARG 55 -10.809 -12.010 6.843
121 1HH2 ARG 55 HH1 ARG 55 -8.945 -9.503 5.256
122 2HH2 ARG 55 HH1 ARG 55 -9.010 -10.558 6.627
123 H ASN 56 H ASN 56 -14.827 -7.708 -0.092
124 HA ASN 56 HA ASN 56 -13.947 -5.544 -1.775
125 1HB ASN 56 2HB ASN 56 -16.270 -6.701 -1.715
126 2HB ASN 56 1HB ASN 56 -16.620 -5.698 -0.309
127 1HD2 ASN 56 HD2 ASN 56 -17.856 -3.688 -3.105
128 2HD2 ASN 56 HD2 ASN 56 -18.314 -5.053 -2.207
129 H HIS 57 H HIS 57 -15.431 -5.502 1.473
130 HA HIS 57 HA HIS 57 -15.373 -2.822 2.090
131 1HB HIS 57 2HB HIS 57 -14.201 -4.845 4.053
132 2HB HIS 57 1HB HIS 57 -15.261 -3.479 4.396
133 HD1 HIS 57 HD1 HIS 57 -15.485 -6.911 4.089
134 HD2 HIS 57 HD2 HIS 57 -17.898 -3.893 2.864
135 HE1 HIS 57 HE1 HIS 57 -17.640 -7.955 3.733
136 H ASP 58 H ASP 58 -12.523 -4.975 2.367
137 HA ASP 58 HA ASP 58 -10.665 -3.158 3.381
138 1HB ASP 58 2HB ASP 58 -10.141 -5.040 1.019
139 2HB ASP 58 1HB ASP 58 -8.953 -4.473 2.189
140 H LEU 59 H LEU 59 -11.800 -3.504 0.080
141 HA LEU 59 HA LEU 59 -10.099 -1.505 -1.108
142 1HB LEU 59 2HB LEU 59 -11.958 -3.416 -1.987
143 2HB LEU 59 1HB LEU 59 -12.888 -1.947 -2.230
144 HG LEU 59 HG LEU 59 -11.636 -2.565 -4.264
145 1HD1 LEU 59 HD1 LEU 59 -12.076 -0.172 -3.632
146 2HD1 LEU 59 HD1 LEU 59 -10.459 -0.109 -2.957
147 3HD1 LEU 59 HD1 LEU 59 -10.674 -0.380 -4.677
148 1HD2 LEU 59 HD2 LEU 59 -9.605 -3.411 -2.583
149 2HD2 LEU 59 HD2 LEU 59 -9.382 -3.098 -4.300
150 3HD2 LEU 59 HD2 LEU 59 -8.955 -1.866 -3.118
151 H ILE 60 H ILE 60 -13.211 -1.352 0.563
152 HA ILE 60 HA ILE 60 -13.712 1.397 -0.211
153 HB ILE 60 HB ILE 60 -14.865 -0.505 1.888
154 1HG1 ILE 60 2HG1 ILE 60 -16.887 -0.277 0.563
155 2HG1 ILE 60 1HG1 ILE 60 -16.173 1.011 -0.398
156 1HG2 ILE 60 2HG2 ILE 60 -15.390 2.497 1.542
157 2HG2 ILE 60 1HG2 ILE 60 -16.576 1.432 2.292
158 3HG2 ILE 60 3HG2 ILE 60 -14.993 1.648 3.032
159 1HD1 ILE 60 HD1 ILE 60 -14.934 -1.740 -0.246
160 2HD1 ILE 60 HD1 ILE 60 -16.155 -1.337 -1.443
161 3HD1 ILE 60 HD1 ILE 60 -14.618 -0.477 -1.428
162 H ARG 61 H ARG 61 -12.370 -0.192 2.641
163 HA ARG 61 HA ARG 61 -11.912 2.305 4.041
164 1HB ARG 61 2HB ARG 61 -12.072 -0.107 5.033
165 2HB ARG 61 1HB ARG 61 -10.414 -0.323 4.485
166 1HG ARG 61 2HG ARG 61 -9.902 1.875 5.755
167 2HG ARG 61 1HG ARG 61 -11.471 1.655 6.521
168 1HD ARG 61 2HD ARG 61 -9.003 -0.056 6.744
169 2HD ARG 61 1HD ARG 61 -10.059 0.539 8.025
170 HE ARG 61 HE ARG 61 -11.698 -1.145 6.567
171 1HH1 ARG 61 HH1 ARG 61 -9.364 -1.233 8.950
172 2HH1 ARG 61 HH1 ARG 61 -9.127 -2.948 8.927
173 1HH2 ARG 61 HH2 ARG 61 -11.114 -3.387 6.072
174 2HH2 ARG 61 HH2 ARG 61 -10.145 -4.201 7.254
175 H HIS 62 H HIS 62 -10.144 0.319 1.791
176 HA HIS 62 HA HIS 62 -7.631 1.709 2.190
177 1HB HIS 62 2HB HIS 62 -7.463 -0.587 1.426
178 2HB HIS 62 1HB HIS 62 -8.645 -0.302 0.170
179 HD1 HIS 62 HD1 HIS 62 -5.126 -0.049 0.760
180 HD2 HIS 62 HD2 HIS 62 -7.757 1.186 -2.053
181 HE1 HIS 62 HE1 HIS 62 -3.734 0.672 -1.091
182 H LYS 63 H LYS 63 -10.177 1.772 -0.216
183 HA LYS 63 HA LYS 63 -8.804 4.120 -1.508
184 1HB LYS 63 2HB LYS 63 -9.984 2.096 -2.746
185 2HB LYS 63 1HB LYS 63 -11.498 2.864 -2.324
186 1HG LYS 63 2HG LYS 63 -10.357 5.022 -3.351
187 2HG LYS 63 1HG LYS 63 -9.271 3.869 -4.111
188 1HD LYS 63 2HD LYS 63 -10.944 4.032 -5.745
189 2HD LYS 63 1HD LYS 63 -11.521 2.648 -4.826
190 1HE LYS 63 2HE LYS 63 -13.335 4.306 -5.260
191 2HE LYS 63 1HE LYS 63 -13.037 4.104 -3.540
192 1HZ LYS 63 2HZ LYS 63 -11.742 6.237 -5.121
193 2HZ LYS 63 1HZ LYS 63 -13.255 6.447 -4.380
194 3HZ LYS 63 3HZ LYS 63 -11.885 6.118 -3.433
195 H LYS 64 H LYS 64 -10.134 4.054 1.243
196 HA LYS 64 HA LYS 64 -12.595 5.354 1.352
197 1HB LYS 64 2HB LYS 64 -10.403 4.953 3.134
198 2HB LYS 64 1HB LYS 64 -10.673 6.691 3.156
199 1HG LYS 64 2HG LYS 64 -12.893 4.652 3.567
200 2HG LYS 64 1HG LYS 64 -11.992 5.378 4.891
201 1HD LYS 64 2HD LYS 64 -12.754 7.586 4.309
202 2HD LYS 64 1HD LYS 64 -13.424 7.018 2.784
203 1HE LYS 64 2HE LYS 64 -14.381 6.235 5.558
204 2HE LYS 64 1HE LYS 64 -15.225 7.293 4.434
205 1HZ LYS 64 1HZ LYS 64 -14.653 4.949 3.069
206 2HZ LYS 64 3HZ LYS 64 -15.267 4.485 4.584
207 3HZ LYS 64 2HZ LYS 64 -16.172 5.512 3.579
208 H SER 65 H SER 65 -9.704 6.220 0.197
209 HA SER 65 HA SER 65 -10.133 8.097 -1.669
210 1HB SER 65 2HB SER 65 -10.449 9.399 1.090
211 2HB SER 65 1HB SER 65 -9.722 10.341 -0.226
212 HG SER 65 HG SER 65 -11.972 10.546 -0.299
213 H HIS 66 H HIS 66 -8.387 6.148 -0.685
214 HA HIS 66 HA HIS 66 -6.167 5.718 -0.202
215 1HB HIS 66 2HB HIS 66 -6.500 7.580 -2.446
216 2HB HIS 66 1HB HIS 66 -4.974 7.915 -1.639
217 HD1 HIS 66 HD1 HIS 66 -3.243 6.512 -2.673
218 HD2 HIS 66 HD2 HIS 66 -6.755 4.497 -2.657
219 HE1 HIS 66 HE1 HIS 66 -2.715 4.324 -3.577
220 H GLN 67 H GLN 67 -7.726 7.246 1.534
221 HA GLN 67 HA GLN 67 -6.910 9.565 2.654
222 1HB GLN 67 2HB GLN 67 -7.328 8.229 4.914
223 2HB GLN 67 1HB GLN 67 -8.644 8.356 3.754
224 1HG GLN 67 2HG GLN 67 -8.397 6.139 3.021
225 2HG GLN 67 1HG GLN 67 -6.729 6.022 3.557
226 1HE2 GLN 67 2HE2 GLN 67 -7.954 5.863 7.101
227 2HE2 GLN 67 1HE2 GLN 67 -6.985 6.948 6.228
228 H GLU 68 H GLU 68 -5.745 6.984 4.611
229 HA GLU 68 HA GLU 68 -2.918 7.494 4.032
230 1HB GLU 68 2HB GLU 68 -3.919 9.425 5.566
231 2HB GLU 68 1HB GLU 68 -3.851 8.221 6.845
232 1HG GLU 68 2HG GLU 68 -1.765 9.432 6.920
233 2HG GLU 68 1HG GLU 68 -1.401 7.863 6.214
234 H LYS 69 H LYS 69 -1.491 6.238 5.442
235 HA LYS 69 HA LYS 69 -2.755 4.119 7.074
236 1HB LYS 69 2HB LYS 69 -2.827 3.200 4.763
237 2HB LYS 69 1HB LYS 69 -1.121 3.566 4.543
238 1HG LYS 69 2HG LYS 69 -0.468 1.949 6.195
239 2HG LYS 69 1HG LYS 69 -2.124 1.755 6.753
240 1HD LYS 69 2HD LYS 69 -1.404 -0.123 5.271
241 2HD LYS 69 1HD LYS 69 -2.770 0.764 4.604
242 1HE LYS 69 2HE LYS 69 -0.758 0.228 3.032
243 2HE LYS 69 1HE LYS 69 -1.438 1.848 2.990
244 1HZ LYS 69 1HZ LYS 69 0.682 1.381 4.924
245 2HZ LYS 69 3HZ LYS 69 1.139 1.373 3.288
246 3HZ LYS 69 2HZ LYS 69 0.375 2.738 3.949
247 H ALA 70 H ALA 70 -1.565 4.328 8.863
248 HA ALA 70 HA ALA 70 1.280 3.724 8.767
249 1HB ALA 70 2HB ALA 70 1.193 6.191 8.172
250 2HB ALA 70 1HB ALA 70 0.411 6.500 9.719
251 3HB ALA 70 3HB ALA 70 2.060 5.885 9.673
No H/Q in entry = 251
Start of MODEL 40
1 1H ASP 39 3H ASP 39 -7.057 -15.667 -6.721
2 2H ASP 39 2H ASP 39 -7.608 -17.272 -6.672
3 3H ASP 39 1H ASP 39 -8.339 -16.154 -7.721
4 HA ASP 39 HA ASP 39 -9.838 -15.741 -6.185
5 1HB ASP 39 2HB ASP 39 -9.024 -17.996 -5.183
6 2HB ASP 39 1HB ASP 39 -8.058 -17.035 -4.066
7 H ARG 40 H ARG 40 -8.584 -13.608 -6.723
8 HA ARG 40 HA ARG 40 -8.508 -12.081 -4.271
9 1HB ARG 40 2HB ARG 40 -6.259 -13.256 -4.227
10 2HB ARG 40 1HB ARG 40 -5.866 -12.498 -5.764
11 1HG ARG 40 2HG ARG 40 -5.767 -10.331 -4.813
12 2HG ARG 40 1HG ARG 40 -6.683 -10.813 -3.396
13 1HD ARG 40 2HD ARG 40 -4.842 -11.865 -2.387
14 2HD ARG 40 1HD ARG 40 -4.026 -12.147 -3.926
15 HE ARG 40 HE ARG 40 -4.310 -9.311 -3.178
16 1HH1 ARG 40 HH2 ARG 40 -2.177 -9.517 -4.851
17 2HH1 ARG 40 HH2 ARG 40 -0.780 -9.870 -3.888
18 1HH2 ARG 40 HH1 ARG 40 -2.683 -10.933 -1.146
19 2HH2 ARG 40 HH1 ARG 40 -1.073 -10.692 -1.738
20 HA PRO 41 HA PRO 41 -9.139 -9.751 -8.233
21 1HB PRO 41 2HB PRO 41 -11.852 -9.114 -7.799
22 2HB PRO 41 1HB PRO 41 -11.290 -10.520 -8.696
23 1HG PRO 41 2HG PRO 41 -12.451 -10.407 -5.948
24 2HG PRO 41 1HG PRO 41 -12.375 -11.775 -7.069
25 1HD PRO 41 1HD PRO 41 -10.660 -11.322 -4.806
26 2HD PRO 41 2HD PRO 41 -10.468 -12.572 -6.040
27 H TYR 42 H TYR 42 -11.610 -8.305 -6.225
28 HA TYR 42 HA TYR 42 -11.636 -5.830 -6.077
29 1HB TYR 42 2HB TYR 42 -10.768 -7.374 -3.565
30 2HB TYR 42 1HB TYR 42 -11.016 -5.619 -3.520
31 HD1 TYR 42 HD2 TYR 42 -13.198 -4.625 -4.122
32 HD2 TYR 42 HD1 TYR 42 -12.721 -8.833 -3.760
33 HE1 TYR 42 HE2 TYR 42 -15.625 -4.876 -3.961
34 HE2 TYR 42 HE1 TYR 42 -15.155 -9.087 -3.607
35 HH TYR 42 HH TYR 42 -17.144 -7.412 -2.796
36 H SER 43 H SER 43 -9.963 -5.347 -7.588
37 HA SER 43 HA SER 43 -7.498 -4.267 -6.219
38 1HB SER 43 2HB SER 43 -6.460 -4.511 -8.556
39 2HB SER 43 1HB SER 43 -6.927 -6.060 -7.830
40 HG SER 43 HG SER 43 -7.979 -6.135 -9.714
41 H CYS 44 H CYS 44 -7.739 -2.149 -5.997
42 HA CYS 44 HA CYS 44 -9.479 -0.524 -7.652
43 1HB CYS 44 2HB CYS 44 -9.142 0.439 -5.552
44 2HB CYS 44 1HB CYS 44 -7.499 -0.121 -5.459
45 H ASP 45 H ASP 45 -8.571 1.511 -8.679
46 HA ASP 45 HA ASP 45 -6.013 0.965 -10.163
47 1HB ASP 45 2HB ASP 45 -7.213 1.725 -12.273
48 2HB ASP 45 1HB ASP 45 -7.853 0.214 -11.632
49 H HIS 46 H HIS 46 -5.746 2.740 -8.256
50 HA HIS 46 HA HIS 46 -6.273 5.435 -9.456
51 1HB HIS 46 2HB HIS 46 -7.175 5.058 -7.170
52 2HB HIS 46 1HB HIS 46 -5.588 4.557 -6.614
53 HD1 HIS 46 HD1 HIS 46 -7.322 7.585 -7.756
54 HD2 HIS 46 HD2 HIS 46 -3.852 6.581 -5.923
55 HE1 HIS 46 HE1 HIS 46 -6.375 9.696 -7.036
56 HA PRO 47 HA PRO 47 -1.925 5.699 -10.476
57 1HB PRO 47 2HB PRO 47 -1.755 8.556 -9.726
58 2HB PRO 47 1HB PRO 47 -1.727 7.845 -11.344
59 1HG PRO 47 2HG PRO 47 -3.935 9.250 -10.070
60 2HG PRO 47 1HG PRO 47 -3.905 8.537 -11.690
61 1HD PRO 47 1HD PRO 47 -5.344 7.557 -9.392
62 2HD PRO 47 2HD PRO 47 -5.222 6.786 -10.981
63 H GLY 48 H GLY 48 -0.001 5.515 -9.399
64 1HA GLY 48 2HA GLY 48 1.426 5.212 -7.556
65 2HA GLY 48 1HA GLY 48 0.752 6.724 -6.957
66 H CYS 49 H CYS 49 -0.760 3.546 -7.501
67 HA CYS 49 HA CYS 49 -1.624 3.561 -4.615
68 1HB CYS 49 2HB CYS 49 -3.460 3.702 -6.172
69 2HB CYS 49 1HB CYS 49 -2.802 2.428 -7.163
70 H ASP 50 H ASP 50 -1.986 1.413 -3.665
71 HA ASP 50 HA ASP 50 -0.128 -0.719 -4.705
72 1HB ASP 50 2HB ASP 50 0.973 0.616 -2.857
73 2HB ASP 50 1HB ASP 50 -0.371 0.215 -1.791
74 H LYS 51 H LYS 51 -3.054 -0.405 -4.699
75 HA LYS 51 HA LYS 51 -4.410 -1.941 -2.769
76 1HB LYS 51 2HB LYS 51 -6.183 -2.080 -4.368
77 2HB LYS 51 1HB LYS 51 -5.357 -0.599 -4.750
78 1HG LYS 51 2HG LYS 51 -5.150 -3.212 -6.200
79 2HG LYS 51 1HG LYS 51 -5.720 -1.680 -6.815
80 1HD LYS 51 2HD LYS 51 -3.389 -0.769 -6.386
81 2HD LYS 51 1HD LYS 51 -2.872 -2.410 -6.098
82 1HE LYS 51 2HE LYS 51 -4.259 -1.497 -8.616
83 2HE LYS 51 1HE LYS 51 -2.517 -1.617 -8.447
84 1HZ LYS 51 2HZ LYS 51 -3.399 -4.021 -7.563
85 2HZ LYS 51 1HZ LYS 51 -4.454 -3.683 -8.851
86 3HZ LYS 51 3HZ LYS 51 -2.777 -3.704 -9.111
87 H ALA 52 H ALA 52 -5.740 -3.820 -3.914
88 HA ALA 52 HA ALA 52 -5.470 -6.014 -5.167
89 1HB ALA 52 2HB ALA 52 -2.914 -6.117 -3.458
90 2HB ALA 52 1HB ALA 52 -3.513 -7.431 -4.458
91 3HB ALA 52 3HB ALA 52 -2.957 -5.946 -5.214
92 H PHE 53 H PHE 53 -7.170 -6.965 -4.197
93 HA PHE 53 HA PHE 53 -6.810 -7.824 -1.346
94 1HB PHE 53 2HB PHE 53 -9.149 -6.292 -2.464
95 2HB PHE 53 1HB PHE 53 -9.047 -6.862 -0.845
96 HD1 PHE 53 HD2 PHE 53 -6.557 -6.140 0.237
97 HD2 PHE 53 HD1 PHE 53 -8.693 -4.034 -2.803
98 HE1 PHE 53 HE2 PHE 53 -5.207 -4.134 0.654
99 HE2 PHE 53 HE1 PHE 53 -7.357 -2.041 -2.352
100 HZ PHE 53 HZ PHE 53 -5.590 -2.102 -0.669
101 H VAL 54 H VAL 54 -8.863 -8.966 -0.593
102 HA VAL 54 HA VAL 54 -9.763 -10.888 -2.710
103 HB VAL 54 HB VAL 54 -9.297 -11.368 0.280
104 1HG1 VAL 54 3HG1 VAL 54 -10.349 -13.084 -1.981
105 2HG1 VAL 54 2HG1 VAL 54 -9.535 -13.829 -0.606
106 3HG1 VAL 54 1HG1 VAL 54 -10.999 -12.884 -0.356
107 1HG2 VAL 54 1HG2 VAL 54 -7.224 -11.070 -1.156
108 2HG2 VAL 54 3HG2 VAL 54 -7.350 -12.644 -0.383
109 3HG2 VAL 54 2HG2 VAL 54 -7.749 -12.468 -2.088
110 H ARG 55 H ARG 55 -10.634 -9.352 0.393
111 HA ARG 55 HA ARG 55 -13.471 -10.099 0.027
112 1HB ARG 55 2HB ARG 55 -12.164 -8.285 2.130
113 2HB ARG 55 1HB ARG 55 -13.786 -8.946 2.218
114 1HG ARG 55 2HG ARG 55 -11.419 -10.813 1.927
115 2HG ARG 55 1HG ARG 55 -11.823 -10.158 3.507
116 1HD ARG 55 2HD ARG 55 -14.119 -11.057 3.307
117 2HD ARG 55 1HD ARG 55 -13.737 -11.694 1.710
118 HE ARG 55 HE ARG 55 -13.010 -12.923 4.224
119 1HH1 ARG 55 HH1 ARG 55 -10.429 -13.144 3.879
120 2HH1 ARG 55 HH1 ARG 55 -10.096 -14.172 2.525
121 1HH2 ARG 55 HH2 ARG 55 -13.341 -13.871 1.238
122 2HH2 ARG 55 HH2 ARG 55 -11.787 -14.595 0.993
123 H ASN 56 H ASN 56 -14.691 -7.762 1.085
124 HA ASN 56 HA ASN 56 -14.446 -5.938 -1.302
125 1HB ASN 56 2HB ASN 56 -16.675 -7.121 -0.688
126 2HB ASN 56 1HB ASN 56 -16.745 -6.047 0.707
127 1HD2 ASN 56 HD2 ASN 56 -18.577 -4.311 -1.992
128 2HD2 ASN 56 HD2 ASN 56 -18.792 -5.704 -1.046
129 H HIS 57 H HIS 57 -15.454 -5.578 2.106
130 HA HIS 57 HA HIS 57 -15.224 -2.882 2.463
131 1HB HIS 57 2HB HIS 57 -14.698 -3.324 4.802
132 2HB HIS 57 1HB HIS 57 -15.646 -4.701 4.251
133 HD1 HIS 57 HD1 HIS 57 -14.503 -6.851 4.576
134 HD2 HIS 57 HD2 HIS 57 -11.794 -3.842 4.675
135 HE1 HIS 57 HE1 HIS 57 -12.414 -7.933 5.158
136 H ASP 58 H ASP 58 -12.484 -5.064 2.060
137 HA ASP 58 HA ASP 58 -10.405 -3.343 2.855
138 1HB ASP 58 2HB ASP 58 -9.238 -4.564 0.692
139 2HB ASP 58 1HB ASP 58 -9.563 -5.440 2.183
140 H LEU 59 H LEU 59 -11.989 -3.597 -0.310
141 HA LEU 59 HA LEU 59 -10.556 -1.562 -1.666
142 1HB LEU 59 2HB LEU 59 -12.578 -3.281 -2.317
143 2HB LEU 59 1HB LEU 59 -13.566 -1.858 -2.053
144 HG LEU 59 HG LEU 59 -12.986 -1.973 -4.405
145 1HD1 LEU 59 HD1 LEU 59 -12.924 0.263 -3.148
146 2HD1 LEU 59 HD1 LEU 59 -11.171 0.145 -3.204
147 3HD1 LEU 59 HD1 LEU 59 -12.093 0.229 -4.699
148 1HD2 LEU 59 HD2 LEU 59 -10.733 -3.300 -3.756
149 2HD2 LEU 59 HD2 LEU 59 -10.864 -2.412 -5.269
150 3HD2 LEU 59 HD2 LEU 59 -10.019 -1.698 -3.904
151 H ILE 60 H ILE 60 -13.329 -1.380 0.536
152 HA ILE 60 HA ILE 60 -13.736 1.446 0.154
153 HB ILE 60 HB ILE 60 -14.332 -0.166 2.685
154 1HG1 ILE 60 2HG1 ILE 60 -16.046 0.090 0.186
155 2HG1 ILE 60 1HG1 ILE 60 -15.177 -1.360 0.668
156 1HG2 ILE 60 2HG2 ILE 60 -14.653 2.362 2.693
157 2HG2 ILE 60 1HG2 ILE 60 -15.783 2.187 1.354
158 3HG2 ILE 60 3HG2 ILE 60 -16.165 1.488 2.925
159 1HD1 ILE 60 HD1 ILE 60 -16.494 -1.017 2.962
160 2HD1 ILE 60 HD1 ILE 60 -17.591 -0.092 1.943
161 3HD1 ILE 60 HD1 ILE 60 -17.288 -1.789 1.590
162 H ARG 61 H ARG 61 -12.213 -0.362 2.793
163 HA ARG 61 HA ARG 61 -11.208 1.961 4.117
164 1HB ARG 61 2HB ARG 61 -11.415 -0.381 5.109
165 2HB ARG 61 1HB ARG 61 -10.035 -0.868 4.130
166 1HG ARG 61 2HG ARG 61 -8.567 0.631 5.276
167 2HG ARG 61 1HG ARG 61 -9.909 1.496 6.016
168 1HD ARG 61 2HD ARG 61 -8.601 -0.270 7.452
169 2HD ARG 61 1HD ARG 61 -10.362 -0.248 7.534
170 HE ARG 61 HE ARG 61 -10.398 -2.334 6.404
171 1HH1 ARG 61 HH1 ARG 61 -8.205 -1.001 4.526
172 2HH1 ARG 61 HH1 ARG 61 -7.003 -2.246 4.586
173 1HH2 ARG 61 HH2 ARG 61 -8.533 -3.869 7.289
174 2HH2 ARG 61 HH2 ARG 61 -7.196 -3.915 6.192
175 H HIS 62 H HIS 62 -10.263 0.352 1.269
176 HA HIS 62 HA HIS 62 -7.489 1.354 1.373
177 1HB HIS 62 2HB HIS 62 -7.655 -0.820 0.370
178 2HB HIS 62 1HB HIS 62 -9.070 -0.362 -0.543
179 HD1 HIS 62 HD1 HIS 62 -5.519 -0.391 -0.831
180 HD2 HIS 62 HD2 HIS 62 -8.592 1.400 -2.745
181 HE1 HIS 62 HE1 HIS 62 -4.542 0.473 -2.879
182 H LYS 63 H LYS 63 -10.448 1.896 -0.503
183 HA LYS 63 HA LYS 63 -9.304 3.914 -2.206
184 1HB LYS 63 2HB LYS 63 -11.498 4.050 -3.126
185 2HB LYS 63 1HB LYS 63 -11.568 2.455 -2.412
186 1HG LYS 63 2HG LYS 63 -12.554 3.558 -0.336
187 2HG LYS 63 1HG LYS 63 -12.701 5.029 -1.281
188 1HD LYS 63 2HD LYS 63 -13.947 2.348 -1.979
189 2HD LYS 63 1HD LYS 63 -14.808 3.747 -1.356
190 1HE LYS 63 2HE LYS 63 -13.729 4.979 -3.435
191 2HE LYS 63 1HE LYS 63 -13.553 3.345 -4.066
192 1HZ LYS 63 2HZ LYS 63 -16.132 4.315 -3.006
193 2HZ LYS 63 1HZ LYS 63 -15.668 4.608 -4.613
194 3HZ LYS 63 3HZ LYS 63 -15.838 3.012 -4.056
195 H LYS 64 H LYS 64 -10.920 3.974 0.911
196 HA LYS 64 HA LYS 64 -11.496 6.743 1.081
197 1HB LYS 64 2HB LYS 64 -12.155 4.927 2.747
198 2HB LYS 64 1HB LYS 64 -10.500 4.943 3.341
199 1HG LYS 64 2HG LYS 64 -10.690 7.204 4.102
200 2HG LYS 64 1HG LYS 64 -12.179 7.459 3.204
201 1HD LYS 64 2HD LYS 64 -12.588 7.097 5.645
202 2HD LYS 64 1HD LYS 64 -13.369 5.878 4.645
203 1HE LYS 64 2HE LYS 64 -12.023 5.065 6.712
204 2HE LYS 64 1HE LYS 64 -11.757 4.234 5.184
205 1HZ LYS 64 1HZ LYS 64 -10.080 6.546 5.661
206 2HZ LYS 64 3HZ LYS 64 -9.809 5.226 6.691
207 3HZ LYS 64 2HZ LYS 64 -9.686 5.028 5.009
208 H SER 65 H SER 65 -8.492 5.227 0.817
209 HA SER 65 HA SER 65 -7.009 7.318 2.301
210 1HB SER 65 2HB SER 65 -6.016 4.993 0.553
211 2HB SER 65 1HB SER 65 -5.016 5.970 1.646
212 HG SER 65 HG SER 65 -5.856 4.023 2.620
213 H HIS 66 H HIS 66 -8.071 6.663 -0.914
214 HA HIS 66 HA HIS 66 -6.065 8.341 -2.222
215 1HB HIS 66 2HB HIS 66 -8.707 7.079 -3.086
216 2HB HIS 66 1HB HIS 66 -7.787 8.125 -4.169
217 HD1 HIS 66 HD1 HIS 66 -5.033 7.124 -3.505
218 HD2 HIS 66 HD2 HIS 66 -8.130 4.583 -4.122
219 HE1 HIS 66 HE1 HIS 66 -4.000 5.032 -4.155
220 H GLN 67 H GLN 67 -8.076 9.319 -0.042
221 HA GLN 67 HA GLN 67 -9.554 11.419 -1.456
222 1HB GLN 67 2HB GLN 67 -10.108 12.159 0.902
223 2HB GLN 67 1HB GLN 67 -10.456 10.454 0.637
224 1HG GLN 67 2HG GLN 67 -8.291 9.846 1.671
225 2HG GLN 67 1HG GLN 67 -7.929 11.548 1.927
226 1HE2 GLN 67 2HE2 GLN 67 -10.864 9.796 4.206
227 2HE2 GLN 67 1HE2 GLN 67 -10.499 9.150 2.682
228 H GLU 68 H GLU 68 -6.891 11.621 -2.112
229 HA GLU 68 HA GLU 68 -5.201 13.227 -0.598
230 1HB GLU 68 2HB GLU 68 -4.916 12.279 -3.019
231 2HB GLU 68 1HB GLU 68 -5.687 13.767 -3.560
232 1HG GLU 68 2HG GLU 68 -3.340 14.230 -3.597
233 2HG GLU 68 1HG GLU 68 -3.932 15.002 -2.129
234 H LYS 69 H LYS 69 -7.633 14.468 -2.908
235 HA LYS 69 HA LYS 69 -7.280 17.210 -2.254
236 1HB LYS 69 2HB LYS 69 -8.621 16.174 -4.202
237 2HB LYS 69 1HB LYS 69 -9.923 15.910 -3.050
238 1HG LYS 69 2HG LYS 69 -10.053 18.301 -2.574
239 2HG LYS 69 1HG LYS 69 -8.648 18.613 -3.589
240 1HD LYS 69 2HD LYS 69 -9.950 17.604 -5.526
241 2HD LYS 69 1HD LYS 69 -11.364 17.596 -4.478
242 1HE LYS 69 2HE LYS 69 -11.456 19.643 -5.743
243 2HE LYS 69 1HE LYS 69 -10.972 20.083 -4.111
244 1HZ LYS 69 3HZ LYS 69 -8.644 20.017 -4.890
245 2HZ LYS 69 2HZ LYS 69 -9.210 19.779 -6.473
246 3HZ LYS 69 1HZ LYS 69 -9.581 21.215 -5.646
247 H ALA 70 H ALA 70 -8.412 18.598 -0.894
248 HA ALA 70 HA ALA 70 -10.463 17.632 0.922
249 1HB ALA 70 2HB ALA 70 -7.634 18.150 1.967
250 2HB ALA 70 1HB ALA 70 -9.047 17.954 3.000
251 3HB ALA 70 3HB ALA 70 -8.489 16.611 2.007
No H/Q in entry = 251
Start of MODEL 41
1 1H ASP 39 1H ASP 39 -11.088 -15.624 -4.928
2 2H ASP 39 3H ASP 39 -10.543 -16.996 -5.766
3 3H ASP 39 2H ASP 39 -10.308 -16.877 -4.088
4 HA ASP 39 HA ASP 39 -8.242 -16.333 -4.827
5 1HB ASP 39 2HB ASP 39 -9.206 -16.257 -7.288
6 2HB ASP 39 1HB ASP 39 -9.387 -14.528 -7.009
7 H ARG 40 H ARG 40 -7.510 -13.700 -5.620
8 HA ARG 40 HA ARG 40 -8.920 -11.929 -3.681
9 1HB ARG 40 2HB ARG 40 -5.876 -12.092 -3.681
10 2HB ARG 40 1HB ARG 40 -6.940 -11.478 -2.421
11 1HG ARG 40 2HG ARG 40 -7.827 -13.858 -2.175
12 2HG ARG 40 1HG ARG 40 -6.525 -14.371 -3.237
13 1HD ARG 40 2HD ARG 40 -4.845 -13.660 -1.684
14 2HD ARG 40 1HD ARG 40 -6.016 -12.759 -0.718
15 HE ARG 40 HE ARG 40 -6.574 -15.636 -0.910
16 1HH1 ARG 40 HH1 ARG 40 -7.510 -14.173 1.396
17 2HH1 ARG 40 HH1 ARG 40 -6.333 -14.509 2.622
18 1HH2 ARG 40 HH2 ARG 40 -3.941 -15.609 0.307
19 2HH2 ARG 40 HH2 ARG 40 -4.258 -15.344 1.988
20 HA PRO 41 HA PRO 41 -7.599 -9.820 -7.558
21 1HB PRO 41 2HB PRO 41 -10.231 -8.972 -8.256
22 2HB PRO 41 1HB PRO 41 -9.412 -10.390 -8.904
23 1HG PRO 41 2HG PRO 41 -11.644 -10.289 -6.960
24 2HG PRO 41 1HG PRO 41 -11.038 -11.677 -7.874
25 1HD PRO 41 1HD PRO 41 -10.549 -11.054 -5.075
26 2HD PRO 41 2HD PRO 41 -9.914 -12.429 -5.999
27 H TYR 42 H TYR 42 -10.555 -8.141 -6.709
28 HA TYR 42 HA TYR 42 -10.671 -5.748 -6.417
29 1HB TYR 42 2HB TYR 42 -9.904 -7.151 -3.809
30 2HB TYR 42 1HB TYR 42 -10.287 -5.430 -3.842
31 HD1 TYR 42 HD1 TYR 42 -12.472 -4.816 -5.230
32 HD2 TYR 42 HD2 TYR 42 -11.720 -8.609 -3.467
33 HE1 TYR 42 HE1 TYR 42 -14.874 -5.287 -5.233
34 HE2 TYR 42 HE2 TYR 42 -14.124 -9.083 -3.466
35 HH TYR 42 HH TYR 42 -16.483 -6.650 -4.424
36 H SER 43 H SER 43 -8.799 -5.321 -7.811
37 HA SER 43 HA SER 43 -6.393 -4.377 -6.284
38 1HB SER 43 2HB SER 43 -6.879 -4.804 -9.282
39 2HB SER 43 1HB SER 43 -5.347 -4.264 -8.571
40 HG SER 43 HG SER 43 -6.239 -6.321 -7.160
41 H CYS 44 H CYS 44 -7.349 -2.498 -5.473
42 HA CYS 44 HA CYS 44 -8.816 -0.564 -6.873
43 1HB CYS 44 2HB CYS 44 -8.560 -0.141 -4.585
44 2HB CYS 44 1HB CYS 44 -6.863 -0.511 -4.596
45 H ASP 45 H ASP 45 -8.356 0.431 -8.707
46 HA ASP 45 HA ASP 45 -5.521 0.816 -9.517
47 1HB ASP 45 2HB ASP 45 -6.547 1.482 -11.702
48 2HB ASP 45 1HB ASP 45 -7.206 -0.062 -11.166
49 H HIS 46 H HIS 46 -6.095 2.370 -7.348
50 HA HIS 46 HA HIS 46 -7.090 4.969 -8.049
51 1HB HIS 46 2HB HIS 46 -7.122 4.406 -5.718
52 2HB HIS 46 1HB HIS 46 -5.498 3.747 -5.769
53 HD1 HIS 46 HD1 HIS 46 -7.197 6.691 -4.863
54 HD2 HIS 46 HD2 HIS 46 -3.444 5.859 -6.126
55 HE1 HIS 46 HE1 HIS 46 -5.891 8.623 -4.220
56 HA PRO 47 HA PRO 47 -3.739 6.734 -10.329
57 1HB PRO 47 2HB PRO 47 -3.610 9.094 -8.494
58 2HB PRO 47 1HB PRO 47 -4.014 9.046 -10.217
59 1HG PRO 47 2HG PRO 47 -5.866 9.336 -8.033
60 2HG PRO 47 1HG PRO 47 -6.280 9.094 -9.736
61 1HD PRO 47 1HD PRO 47 -6.603 7.198 -7.572
62 2HD PRO 47 2HD PRO 47 -6.967 6.937 -9.282
63 H GLY 48 H GLY 48 -2.130 5.305 -9.796
64 1HA GLY 48 2HA GLY 48 0.111 4.983 -9.029
65 2HA GLY 48 1HA GLY 48 -0.118 6.285 -7.864
66 H CYS 49 H CYS 49 -1.257 2.976 -8.581
67 HA CYS 49 HA CYS 49 -0.924 2.302 -5.701
68 1HB CYS 49 2HB CYS 49 -3.261 3.073 -5.969
69 2HB CYS 49 1HB CYS 49 -3.499 1.956 -7.281
70 H ASP 50 H ASP 50 -1.357 0.005 -5.310
71 HA ASP 50 HA ASP 50 -1.382 -1.901 -7.458
72 1HB ASP 50 2HB ASP 50 1.021 -2.661 -7.169
73 2HB ASP 50 1HB ASP 50 0.910 -1.038 -7.846
74 H LYS 51 H LYS 51 -2.431 -1.311 -4.736
75 HA LYS 51 HA LYS 51 -1.427 -3.630 -3.162
76 1HB LYS 51 2HB LYS 51 -1.841 -1.343 -2.112
77 2HB LYS 51 1HB LYS 51 -3.557 -1.564 -2.437
78 1HG LYS 51 2HG LYS 51 -3.704 -3.441 -0.967
79 2HG LYS 51 1HG LYS 51 -1.955 -3.617 -0.891
80 1HD LYS 51 2HD LYS 51 -1.829 -1.371 0.225
81 2HD LYS 51 1HD LYS 51 -3.587 -1.329 0.253
82 1HE LYS 51 2HE LYS 51 -2.586 -2.176 2.392
83 2HE LYS 51 1HE LYS 51 -3.666 -3.336 1.627
84 1HZ LYS 51 3HZ LYS 51 -0.801 -3.415 0.995
85 2HZ LYS 51 2HZ LYS 51 -1.342 -4.070 2.465
86 3HZ LYS 51 1HZ LYS 51 -1.942 -4.673 0.996
87 H ALA 52 H ALA 52 -2.353 -5.530 -3.559
88 HA ALA 52 HA ALA 52 -5.024 -5.720 -4.753
89 1HB ALA 52 1HB ALA 52 -3.080 -7.327 -5.202
90 2HB ALA 52 3HB ALA 52 -3.304 -7.947 -3.570
91 3HB ALA 52 2HB ALA 52 -4.589 -8.122 -4.761
92 H PHE 53 H PHE 53 -6.576 -7.312 -3.771
93 HA PHE 53 HA PHE 53 -6.577 -7.349 -0.804
94 1HB PHE 53 2HB PHE 53 -8.408 -5.687 -2.551
95 2HB PHE 53 1HB PHE 53 -9.055 -6.330 -1.052
96 HD1 PHE 53 HD2 PHE 53 -7.621 -5.874 1.103
97 HD2 PHE 53 HD1 PHE 53 -7.114 -3.716 -2.539
98 HE1 PHE 53 HE2 PHE 53 -6.459 -4.081 2.316
99 HE2 PHE 53 HE1 PHE 53 -5.956 -1.933 -1.317
100 HZ PHE 53 HZ PHE 53 -5.623 -2.116 1.107
101 H VAL 54 H VAL 54 -8.951 -8.193 -0.142
102 HA VAL 54 HA VAL 54 -9.432 -10.641 -1.830
103 HB VAL 54 HB VAL 54 -10.335 -11.526 0.489
104 1HG1 VAL 54 3HG1 VAL 54 -7.427 -10.966 -0.137
105 2HG1 VAL 54 2HG1 VAL 54 -7.910 -11.939 1.249
106 3HG1 VAL 54 1HG1 VAL 54 -8.322 -12.460 -0.378
107 1HG2 VAL 54 1HG2 VAL 54 -10.350 -9.260 1.566
108 2HG2 VAL 54 3HG2 VAL 54 -9.371 -10.417 2.455
109 3HG2 VAL 54 2HG2 VAL 54 -8.596 -9.212 1.434
110 H ARG 55 H ARG 55 -11.026 -8.219 0.232
111 HA ARG 55 HA ARG 55 -13.622 -8.891 -1.153
112 1HB ARG 55 2HB ARG 55 -13.032 -7.974 1.705
113 2HB ARG 55 1HB ARG 55 -14.651 -7.941 1.028
114 1HG ARG 55 2HG ARG 55 -12.886 -10.415 1.268
115 2HG ARG 55 1HG ARG 55 -14.234 -10.028 2.329
116 1HD ARG 55 2HD ARG 55 -14.273 -11.049 -0.489
117 2HD ARG 55 1HD ARG 55 -15.384 -11.393 0.840
118 HE ARG 55 HE ARG 55 -15.478 -8.675 -0.391
119 1HH1 ARG 55 HH1 ARG 55 -17.633 -9.553 1.397
120 2HH1 ARG 55 HH1 ARG 55 -18.859 -10.111 0.308
121 1HH2 ARG 55 HH2 ARG 55 -16.635 -10.348 -2.392
122 2HH2 ARG 55 HH2 ARG 55 -18.279 -10.573 -1.894
123 H ASN 56 H ASN 56 -15.180 -7.037 -1.048
124 HA ASN 56 HA ASN 56 -13.936 -4.754 -2.304
125 1HB ASN 56 2HB ASN 56 -16.282 -5.636 -2.789
126 2HB ASN 56 1HB ASN 56 -16.786 -5.017 -1.218
127 1HD2 ASN 56 HD2 ASN 56 -15.378 -1.798 -3.119
128 2HD2 ASN 56 HD2 ASN 56 -14.390 -2.978 -2.403
129 H HIS 57 H HIS 57 -15.522 -5.280 0.838
130 HA HIS 57 HA HIS 57 -15.554 -2.719 1.891
131 1HB HIS 57 2HB HIS 57 -14.572 -5.255 3.307
132 2HB HIS 57 1HB HIS 57 -15.146 -3.801 4.121
133 HD1 HIS 57 HD1 HIS 57 -16.375 -6.730 2.417
134 HD2 HIS 57 HD2 HIS 57 -17.951 -3.245 3.759
135 HE1 HIS 57 HE1 HIS 57 -18.771 -7.081 2.366
136 H ASP 58 H ASP 58 -12.732 -4.918 2.210
137 HA ASP 58 HA ASP 58 -10.946 -3.107 3.359
138 1HB ASP 58 2HB ASP 58 -10.294 -5.057 1.083
139 2HB ASP 58 1HB ASP 58 -9.151 -4.435 2.270
140 H LEU 59 H LEU 59 -12.010 -3.378 0.050
141 HA LEU 59 HA LEU 59 -10.168 -1.475 -1.109
142 1HB LEU 59 2HB LEU 59 -12.063 -3.290 -2.051
143 2HB LEU 59 1HB LEU 59 -12.966 -1.800 -2.254
144 HG LEU 59 HG LEU 59 -11.747 -2.362 -4.306
145 1HD1 LEU 59 HD1 LEU 59 -12.043 0.051 -3.438
146 2HD1 LEU 59 HD1 LEU 59 -10.331 0.003 -3.047
147 3HD1 LEU 59 HD1 LEU 59 -10.860 -0.199 -4.714
148 1HD2 LEU 59 HD2 LEU 59 -9.775 -3.427 -2.752
149 2HD2 LEU 59 HD2 LEU 59 -9.493 -2.923 -4.413
150 3HD2 LEU 59 HD2 LEU 59 -9.040 -1.868 -3.085
151 H ILE 60 H ILE 60 -13.353 -1.240 0.408
152 HA ILE 60 HA ILE 60 -13.773 1.522 -0.271
153 HB ILE 60 HB ILE 60 -14.848 -0.008 2.152
154 1HG1 ILE 60 2HG1 ILE 60 -15.942 0.149 -0.682
155 2HG1 ILE 60 1HG1 ILE 60 -15.241 -1.274 0.070
156 1HG2 ILE 60 2HG2 ILE 60 -15.182 2.566 1.903
157 2HG2 ILE 60 1HG2 ILE 60 -16.164 2.201 0.489
158 3HG2 ILE 60 3HG2 ILE 60 -16.655 1.621 2.078
159 1HD1 ILE 60 HD1 ILE 60 -17.041 -0.912 1.931
160 2HD1 ILE 60 HD1 ILE 60 -17.837 0.110 0.736
161 3HD1 ILE 60 HD1 ILE 60 -17.560 -1.594 0.392
162 H ARG 61 H ARG 61 -12.383 -0.148 2.494
163 HA ARG 61 HA ARG 61 -11.882 2.311 3.965
164 1HB ARG 61 2HB ARG 61 -10.759 -0.526 4.258
165 2HB ARG 61 1HB ARG 61 -10.510 0.760 5.430
166 1HG ARG 61 2HG ARG 61 -13.335 0.063 4.597
167 2HG ARG 61 1HG ARG 61 -12.508 -0.972 5.754
168 1HD ARG 61 2HD ARG 61 -12.494 2.015 6.203
169 2HD ARG 61 1HD ARG 61 -13.928 1.080 6.625
170 HE ARG 61 HE ARG 61 -12.551 -0.227 8.210
171 1HH1 ARG 61 HH2 ARG 61 -9.867 0.184 7.064
172 2HH1 ARG 61 HH2 ARG 61 -9.164 1.371 8.111
173 1HH2 ARG 61 HH1 ARG 61 -12.261 2.319 9.451
174 2HH2 ARG 61 HH1 ARG 61 -10.553 2.611 9.498
175 H HIS 62 H HIS 62 -10.128 0.277 1.723
176 HA HIS 62 HA HIS 62 -7.586 1.610 2.176
177 1HB HIS 62 2HB HIS 62 -7.419 -0.662 1.393
178 2HB HIS 62 1HB HIS 62 -8.623 -0.396 0.160
179 HD1 HIS 62 HD1 HIS 62 -5.091 -0.192 0.642
180 HD2 HIS 62 HD2 HIS 62 -7.773 1.120 -2.087
181 HE1 HIS 62 HE1 HIS 62 -3.737 0.473 -1.262
182 H LYS 63 H LYS 63 -10.307 2.007 0.115
183 HA LYS 63 HA LYS 63 -8.855 4.135 -1.444
184 1HB LYS 63 2HB LYS 63 -10.273 2.286 -2.592
185 2HB LYS 63 1HB LYS 63 -11.698 2.995 -1.844
186 1HG LYS 63 2HG LYS 63 -11.503 5.005 -3.089
187 2HG LYS 63 1HG LYS 63 -9.814 4.710 -3.481
188 1HD LYS 63 2HD LYS 63 -10.388 2.966 -5.026
189 2HD LYS 63 1HD LYS 63 -12.052 2.914 -4.454
190 1HE LYS 63 2HE LYS 63 -12.509 5.108 -5.368
191 2HE LYS 63 1HE LYS 63 -10.809 5.366 -5.739
192 1HZ LYS 63 2HZ LYS 63 -11.015 3.343 -7.209
193 2HZ LYS 63 1HZ LYS 63 -12.697 3.497 -7.030
194 3HZ LYS 63 3HZ LYS 63 -11.800 4.752 -7.741
195 H LYS 64 H LYS 64 -10.319 3.920 1.438
196 HA LYS 64 HA LYS 64 -12.462 5.601 1.735
197 1HB LYS 64 2HB LYS 64 -10.921 4.603 3.566
198 2HB LYS 64 1HB LYS 64 -9.951 6.058 3.365
199 1HG LYS 64 2HG LYS 64 -11.887 7.459 3.929
200 2HG LYS 64 1HG LYS 64 -12.914 6.033 4.039
201 1HD LYS 64 2HD LYS 64 -11.282 5.171 5.820
202 2HD LYS 64 1HD LYS 64 -10.589 6.788 5.831
203 1HE LYS 64 2HE LYS 64 -12.732 7.760 6.461
204 2HE LYS 64 1HE LYS 64 -13.533 6.203 6.291
205 1HZ LYS 64 3HZ LYS 64 -11.330 6.715 8.205
206 2HZ LYS 64 2HZ LYS 64 -12.977 6.830 8.607
207 3HZ LYS 64 1HZ LYS 64 -12.323 5.340 8.120
208 H SER 65 H SER 65 -9.417 6.295 0.750
209 HA SER 65 HA SER 65 -9.801 8.504 -0.846
210 1HB SER 65 2HB SER 65 -8.800 10.277 0.972
211 2HB SER 65 1HB SER 65 -10.552 9.997 0.919
212 HG SER 65 HG SER 65 -8.634 9.041 2.709
213 H HIS 66 H HIS 66 -8.430 6.173 -0.530
214 HA HIS 66 HA HIS 66 -6.355 5.216 -0.487
215 1HB HIS 66 2HB HIS 66 -6.491 7.360 -2.359
216 2HB HIS 66 1HB HIS 66 -4.939 7.594 -1.559
217 HD1 HIS 66 HD1 HIS 66 -3.337 6.419 -3.028
218 HD2 HIS 66 HD2 HIS 66 -6.704 4.186 -2.629
219 HE1 HIS 66 HE1 HIS 66 -2.792 4.285 -4.042
220 H GLN 67 H GLN 67 -7.295 6.581 1.752
221 HA GLN 67 HA GLN 67 -5.923 8.280 3.283
222 1HB GLN 67 2HB GLN 67 -7.592 5.992 3.724
223 2HB GLN 67 1HB GLN 67 -6.236 5.736 4.804
224 1HG GLN 67 2HG GLN 67 -7.815 8.325 4.667
225 2HG GLN 67 1HG GLN 67 -8.125 7.044 5.839
226 1HE2 GLN 67 2HE2 GLN 67 -4.589 7.591 7.095
227 2HE2 GLN 67 1HE2 GLN 67 -5.324 6.311 6.257
228 H GLU 68 H GLU 68 -3.871 8.095 2.025
229 HA GLU 68 HA GLU 68 -1.668 7.600 3.703
230 1HB GLU 68 2HB GLU 68 -0.694 5.534 2.473
231 2HB GLU 68 1HB GLU 68 -2.034 5.177 3.545
232 1HG GLU 68 2HG GLU 68 -3.580 5.024 1.708
233 2HG GLU 68 1HG GLU 68 -2.423 5.748 0.596
234 H LYS 69 H LYS 69 -2.804 9.254 1.503
235 HA LYS 69 HA LYS 69 -1.583 9.211 -0.947
236 1HB LYS 69 2HB LYS 69 -3.017 11.087 -0.009
237 2HB LYS 69 1HB LYS 69 -1.605 11.677 0.862
238 1HG LYS 69 2HG LYS 69 -0.441 12.190 -1.156
239 2HG LYS 69 1HG LYS 69 -1.547 11.232 -2.133
240 1HD LYS 69 2HD LYS 69 -2.078 13.601 -2.426
241 2HD LYS 69 1HD LYS 69 -3.387 12.827 -1.543
242 1HE LYS 69 2HE LYS 69 -1.105 14.156 -0.069
243 2HE LYS 69 1HE LYS 69 -2.480 15.093 -0.639
244 1HZ LYS 69 1HZ LYS 69 -3.331 12.731 0.686
245 2HZ LYS 69 3HZ LYS 69 -2.322 13.660 1.689
246 3HZ LYS 69 2HZ LYS 69 -3.718 14.352 1.013
247 H ALA 70 H ALA 70 0.351 10.001 -1.859
248 HA ALA 70 HA ALA 70 2.605 10.730 -0.158
249 1HB ALA 70 3HB ALA 70 2.427 7.981 -1.481
250 2HB ALA 70 2HB ALA 70 3.959 8.684 -0.972
251 3HB ALA 70 1HB ALA 70 2.714 8.329 0.222
No H/Q in entry = 251
Start of MODEL 42
1 1H ASP 39 3H ASP 39 -16.379 -9.858 -2.970
2 2H ASP 39 2H ASP 39 -16.936 -9.651 -1.380
3 3H ASP 39 1H ASP 39 -16.105 -8.392 -2.158
4 HA ASP 39 HA ASP 39 -14.277 -9.119 -1.206
5 1HB ASP 39 2HB ASP 39 -15.679 -11.791 -0.730
6 2HB ASP 39 1HB ASP 39 -14.222 -11.225 0.080
7 H ARG 40 H ARG 40 -12.945 -9.140 -2.948
8 HA ARG 40 HA ARG 40 -11.968 -11.643 -3.895
9 1HB ARG 40 2HB ARG 40 -14.390 -10.657 -5.174
10 2HB ARG 40 1HB ARG 40 -13.131 -10.543 -6.365
11 1HG ARG 40 2HG ARG 40 -12.568 -13.046 -5.559
12 2HG ARG 40 1HG ARG 40 -14.164 -12.979 -4.868
13 1HD ARG 40 2HD ARG 40 -13.897 -12.178 -7.748
14 2HD ARG 40 1HD ARG 40 -13.816 -13.889 -7.346
15 HE ARG 40 HE ARG 40 -16.197 -12.203 -7.172
16 1HH1 ARG 40 HH1 ARG 40 -15.898 -13.393 -4.468
17 2HH1 ARG 40 HH1 ARG 40 -16.709 -14.915 -4.625
18 1HH2 ARG 40 HH2 ARG 40 -16.637 -14.821 -8.128
19 2HH2 ARG 40 HH2 ARG 40 -17.139 -15.744 -6.751
20 HA PRO 41 HA PRO 41 -8.335 -9.678 -5.592
21 1HB PRO 41 2HB PRO 41 -9.437 -9.198 -8.335
22 2HB PRO 41 1HB PRO 41 -7.889 -9.906 -7.856
23 1HG PRO 41 2HG PRO 41 -10.194 -11.363 -8.646
24 2HG PRO 41 1HG PRO 41 -8.800 -12.037 -7.801
25 1HD PRO 41 1HD PRO 41 -11.411 -11.692 -6.770
26 2HD PRO 41 2HD PRO 41 -10.066 -12.337 -5.886
27 H TYR 42 H TYR 42 -10.489 -7.876 -7.731
28 HA TYR 42 HA TYR 42 -10.805 -5.543 -7.810
29 1HB TYR 42 2HB TYR 42 -10.667 -5.779 -4.752
30 2HB TYR 42 1HB TYR 42 -11.569 -4.598 -5.716
31 HD1 TYR 42 HD2 TYR 42 -12.681 -6.654 -7.795
32 HD2 TYR 42 HD1 TYR 42 -12.536 -6.624 -3.549
33 HE1 TYR 42 HE2 TYR 42 -14.627 -8.074 -7.734
34 HE2 TYR 42 HE1 TYR 42 -14.501 -8.052 -3.490
35 HH TYR 42 HH TYR 42 -16.554 -8.448 -6.055
36 H SER 43 H SER 43 -8.854 -4.955 -8.654
37 HA SER 43 HA SER 43 -6.689 -4.232 -6.725
38 1HB SER 43 2HB SER 43 -6.735 -4.192 -9.775
39 2HB SER 43 1HB SER 43 -5.308 -4.059 -8.735
40 HG SER 43 HG SER 43 -6.966 -6.167 -8.145
41 H CYS 44 H CYS 44 -7.657 -2.368 -5.868
42 HA CYS 44 HA CYS 44 -8.879 -0.281 -7.286
43 1HB CYS 44 2HB CYS 44 -8.816 -0.077 -4.924
44 2HB CYS 44 1HB CYS 44 -7.098 -0.379 -4.852
45 H ASP 45 H ASP 45 -8.055 0.314 -9.220
46 HA ASP 45 HA ASP 45 -5.171 0.792 -9.565
47 1HB ASP 45 2HB ASP 45 -7.385 1.454 -11.556
48 2HB ASP 45 1HB ASP 45 -5.710 1.030 -11.898
49 H HIS 46 H HIS 46 -5.767 2.518 -7.677
50 HA HIS 46 HA HIS 46 -6.674 5.071 -8.796
51 1HB HIS 46 2HB HIS 46 -7.233 4.815 -6.478
52 2HB HIS 46 1HB HIS 46 -5.694 4.062 -6.092
53 HD1 HIS 46 HD1 HIS 46 -7.237 7.325 -6.333
54 HD2 HIS 46 HD2 HIS 46 -3.497 5.870 -5.784
55 HE1 HIS 46 HE1 HIS 46 -5.938 9.234 -5.601
56 HA PRO 47 HA PRO 47 -2.772 6.437 -10.391
57 1HB PRO 47 2HB PRO 47 -2.977 9.069 -9.004
58 2HB PRO 47 1HB PRO 47 -3.023 8.728 -10.739
59 1HG PRO 47 2HG PRO 47 -5.270 9.374 -9.038
60 2HG PRO 47 1HG PRO 47 -5.331 8.923 -10.748
61 1HD PRO 47 1HD PRO 47 -6.199 7.331 -8.496
62 2HD PRO 47 2HD PRO 47 -6.179 6.848 -10.198
63 H GLY 48 H GLY 48 -1.226 5.291 -9.357
64 1HA GLY 48 2HA GLY 48 0.715 5.220 -7.949
65 2HA GLY 48 1HA GLY 48 0.025 6.507 -6.959
66 H CYS 49 H CYS 49 -0.823 3.171 -7.933
67 HA CYS 49 HA CYS 49 -1.007 2.387 -5.088
68 1HB CYS 49 2HB CYS 49 -3.237 3.326 -5.562
69 2HB CYS 49 1HB CYS 49 -3.375 2.360 -7.005
70 H ASP 50 H ASP 50 -1.405 0.105 -4.825
71 HA ASP 50 HA ASP 50 -1.419 -1.716 -7.055
72 1HB ASP 50 2HB ASP 50 0.938 -0.774 -7.220
73 2HB ASP 50 1HB ASP 50 1.253 -1.378 -5.595
74 H LYS 51 H LYS 51 -2.721 -1.374 -4.508
75 HA LYS 51 HA LYS 51 -1.719 -3.706 -2.934
76 1HB LYS 51 2HB LYS 51 -3.811 -1.588 -2.286
77 2HB LYS 51 1HB LYS 51 -3.316 -2.872 -1.192
78 1HG LYS 51 2HG LYS 51 -0.867 -1.899 -1.686
79 2HG LYS 51 1HG LYS 51 -1.767 -0.446 -2.104
80 1HD LYS 51 2HD LYS 51 -2.955 -0.704 0.162
81 2HD LYS 51 1HD LYS 51 -1.727 -1.902 0.554
82 1HE LYS 51 2HE LYS 51 -1.339 1.038 -0.053
83 2HE LYS 51 1HE LYS 51 -0.868 0.160 1.398
84 1HZ LYS 51 2HZ LYS 51 0.683 -1.129 -0.020
85 2HZ LYS 51 1HZ LYS 51 0.319 -0.082 -1.307
86 3HZ LYS 51 3HZ LYS 51 1.060 0.523 0.096
87 H ALA 52 H ALA 52 -2.495 -5.301 -4.435
88 HA ALA 52 HA ALA 52 -5.131 -5.565 -5.401
89 1HB ALA 52 2HB ALA 52 -3.154 -7.103 -5.890
90 2HB ALA 52 1HB ALA 52 -3.418 -7.842 -4.315
91 3HB ALA 52 3HB ALA 52 -4.659 -7.956 -5.558
92 H PHE 53 H PHE 53 -6.600 -7.443 -4.553
93 HA PHE 53 HA PHE 53 -6.707 -7.430 -1.580
94 1HB PHE 53 2HB PHE 53 -8.502 -5.851 -3.416
95 2HB PHE 53 1HB PHE 53 -9.313 -6.625 -2.066
96 HD1 PHE 53 HD1 PHE 53 -7.986 -6.338 0.270
97 HD2 PHE 53 HD2 PHE 53 -7.522 -3.747 -3.082
98 HE1 PHE 53 HE1 PHE 53 -7.006 -4.619 1.720
99 HE2 PHE 53 HE2 PHE 53 -6.580 -2.023 -1.613
100 HZ PHE 53 HZ PHE 53 -6.325 -2.455 0.788
101 H VAL 54 H VAL 54 -9.134 -8.269 -1.080
102 HA VAL 54 HA VAL 54 -10.006 -10.597 -2.691
103 HB VAL 54 HB VAL 54 -8.628 -10.925 0.059
104 1HG1 VAL 54 2HG1 VAL 54 -10.270 -12.851 -1.623
105 2HG1 VAL 54 1HG1 VAL 54 -9.213 -13.382 -0.319
106 3HG1 VAL 54 3HG1 VAL 54 -10.589 -12.347 0.033
107 1HG2 VAL 54 2HG2 VAL 54 -7.969 -11.829 -2.758
108 2HG2 VAL 54 1HG2 VAL 54 -6.946 -10.938 -1.638
109 3HG2 VAL 54 3HG2 VAL 54 -7.286 -12.636 -1.352
110 H ARG 55 H ARG 55 -10.096 -8.618 0.233
111 HA ARG 55 HA ARG 55 -12.822 -9.544 0.906
112 1HB ARG 55 2HB ARG 55 -10.938 -7.503 2.175
113 2HB ARG 55 1HB ARG 55 -12.505 -7.938 2.841
114 1HG ARG 55 2HG ARG 55 -11.698 -10.352 2.856
115 2HG ARG 55 1HG ARG 55 -10.096 -9.741 2.457
116 1HD ARG 55 2HD ARG 55 -10.373 -8.192 4.516
117 2HD ARG 55 1HD ARG 55 -11.713 -9.245 4.966
118 HE ARG 55 HE ARG 55 -9.026 -9.875 5.463
119 1HH1 ARG 55 HH2 ARG 55 -11.969 -11.311 5.307
120 2HH1 ARG 55 HH2 ARG 55 -11.421 -12.899 4.886
121 1HH2 ARG 55 HH1 ARG 55 -8.144 -11.822 4.258
122 2HH2 ARG 55 HH1 ARG 55 -9.198 -13.196 4.277
123 H ASN 56 H ASN 56 -14.479 -7.811 1.332
124 HA ASN 56 HA ASN 56 -14.510 -5.950 -0.986
125 1HB ASN 56 2HB ASN 56 -16.498 -7.413 -0.469
126 2HB ASN 56 1HB ASN 56 -16.678 -6.590 1.079
127 1HD2 ASN 56 HD2 ASN 56 -16.996 -3.665 -1.628
128 2HD2 ASN 56 HD2 ASN 56 -15.519 -4.365 -1.169
129 H HIS 57 H HIS 57 -15.794 -5.531 2.306
130 HA HIS 57 HA HIS 57 -15.806 -2.787 2.430
131 1HB HIS 57 2HB HIS 57 -15.782 -3.004 4.823
132 2HB HIS 57 1HB HIS 57 -16.371 -4.571 4.280
133 HD1 HIS 57 HD1 HIS 57 -15.043 -6.432 5.160
134 HD2 HIS 57 HD2 HIS 57 -12.837 -3.035 5.278
135 HE1 HIS 57 HE1 HIS 57 -12.988 -7.075 6.272
136 H ASP 58 H ASP 58 -12.920 -4.805 2.768
137 HA ASP 58 HA ASP 58 -11.153 -2.782 3.650
138 1HB ASP 58 2HB ASP 58 -10.817 -5.398 3.117
139 2HB ASP 58 1HB ASP 58 -10.233 -4.802 1.567
140 H LEU 59 H LEU 59 -12.171 -3.662 0.363
141 HA LEU 59 HA LEU 59 -10.515 -1.782 -1.056
142 1HB LEU 59 2HB LEU 59 -12.421 -3.746 -1.699
143 2HB LEU 59 1HB LEU 59 -13.330 -2.297 -2.078
144 HG LEU 59 HG LEU 59 -12.161 -3.142 -4.067
145 1HD1 LEU 59 HD1 LEU 59 -12.462 -0.686 -3.802
146 2HD1 LEU 59 HD1 LEU 59 -10.888 -0.578 -3.027
147 3HD1 LEU 59 HD1 LEU 59 -11.004 -1.060 -4.716
148 1HD2 LEU 59 HD2 LEU 59 -10.144 -3.982 -2.454
149 2HD2 LEU 59 HD2 LEU 59 -9.892 -3.654 -4.163
150 3HD2 LEU 59 HD2 LEU 59 -9.439 -2.450 -2.969
151 H ILE 60 H ILE 60 -13.532 -1.475 0.704
152 HA ILE 60 HA ILE 60 -14.118 1.193 -0.283
153 HB ILE 60 HB ILE 60 -15.096 -0.098 2.304
154 1HG1 ILE 60 2HG1 ILE 60 -16.205 -0.395 -0.513
155 2HG1 ILE 60 1HG1 ILE 60 -15.426 -1.665 0.421
156 1HG2 ILE 60 3HG2 ILE 60 -15.571 2.374 1.755
157 2HG2 ILE 60 2HG2 ILE 60 -16.478 1.814 0.353
158 3HG2 ILE 60 1HG2 ILE 60 -17.013 1.388 1.975
159 1HD1 ILE 60 HD1 ILE 60 -17.288 -1.007 2.237
160 2HD1 ILE 60 HD1 ILE 60 -18.134 -0.412 0.812
161 3HD1 ILE 60 HD1 ILE 60 -17.672 -2.107 0.916
162 H ARG 61 H ARG 61 -12.688 -0.185 2.623
163 HA ARG 61 HA ARG 61 -12.200 2.417 3.830
164 1HB ARG 61 2HB ARG 61 -12.492 0.131 5.039
165 2HB ARG 61 1HB ARG 61 -10.845 -0.227 4.537
166 1HG ARG 61 2HG ARG 61 -10.210 2.034 5.613
167 2HG ARG 61 1HG ARG 61 -11.800 1.992 6.364
168 1HD ARG 61 2HD ARG 61 -9.518 0.034 6.719
169 2HD ARG 61 1HD ARG 61 -10.347 0.972 7.959
170 HE ARG 61 HE ARG 61 -12.341 -0.616 6.836
171 1HH1 ARG 61 HH2 ARG 61 -9.237 -1.743 7.127
172 2HH1 ARG 61 HH2 ARG 61 -9.583 -2.999 8.269
173 1HH2 ARG 61 HH1 ARG 61 -12.866 -1.895 8.797
174 2HH2 ARG 61 HH1 ARG 61 -11.690 -3.087 9.240
175 H HIS 62 H HIS 62 -10.607 0.375 1.583
176 HA HIS 62 HA HIS 62 -7.962 1.561 2.027
177 1HB HIS 62 2HB HIS 62 -7.841 -0.738 1.309
178 2HB HIS 62 1HB HIS 62 -9.080 -0.494 0.101
179 HD1 HIS 62 HD1 HIS 62 -5.534 -0.306 0.477
180 HD2 HIS 62 HD2 HIS 62 -8.285 1.009 -2.205
181 HE1 HIS 62 HE1 HIS 62 -4.207 0.515 -1.383
182 H LYS 63 H LYS 63 -10.688 1.906 -0.096
183 HA LYS 63 HA LYS 63 -9.343 3.547 -2.041
184 1HB LYS 63 2HB LYS 63 -11.390 2.301 -2.605
185 2HB LYS 63 1HB LYS 63 -12.292 3.172 -1.372
186 1HG LYS 63 2HG LYS 63 -12.113 5.245 -2.566
187 2HG LYS 63 1HG LYS 63 -10.898 4.586 -3.657
188 1HD LYS 63 2HD LYS 63 -12.506 3.134 -4.709
189 2HD LYS 63 1HD LYS 63 -13.708 3.464 -3.467
190 1HE LYS 63 2HE LYS 63 -14.085 4.732 -5.617
191 2HE LYS 63 1HE LYS 63 -13.936 5.763 -4.200
192 1HZ LYS 63 3HZ LYS 63 -11.466 5.827 -4.843
193 2HZ LYS 63 2HZ LYS 63 -12.001 5.306 -6.367
194 3HZ LYS 63 1HZ LYS 63 -12.567 6.773 -5.724
195 H LYS 64 H LYS 64 -11.608 4.303 0.613
196 HA LYS 64 HA LYS 64 -11.716 7.087 0.244
197 1HB LYS 64 2HB LYS 64 -12.316 7.215 2.624
198 2HB LYS 64 1HB LYS 64 -13.023 5.746 1.964
199 1HG LYS 64 2HG LYS 64 -10.954 4.511 2.787
200 2HG LYS 64 1HG LYS 64 -10.509 5.982 3.646
201 1HD LYS 64 2HD LYS 64 -13.162 4.543 3.988
202 2HD LYS 64 1HD LYS 64 -11.790 4.358 5.075
203 1HE LYS 64 2HE LYS 64 -11.875 6.964 5.262
204 2HE LYS 64 1HE LYS 64 -13.496 6.806 4.597
205 1HZ LYS 64 1HZ LYS 64 -13.296 4.911 6.587
206 2HZ LYS 64 3HZ LYS 64 -12.595 6.320 7.226
207 3HZ LYS 64 2HZ LYS 64 -14.183 6.358 6.625
208 H SER 65 H SER 65 -9.077 5.153 1.361
209 HA SER 65 HA SER 65 -7.649 7.212 2.768
210 1HB SER 65 2HB SER 65 -7.135 4.691 2.813
211 2HB SER 65 1HB SER 65 -6.420 4.883 1.200
212 HG SER 65 HG SER 65 -4.928 5.204 2.990
213 H HIS 66 H HIS 66 -7.920 6.355 -0.609
214 HA HIS 66 HA HIS 66 -5.668 7.885 -1.529
215 1HB HIS 66 2HB HIS 66 -8.221 6.821 -2.797
216 2HB HIS 66 1HB HIS 66 -7.144 7.853 -3.731
217 HD1 HIS 66 HD1 HIS 66 -4.517 6.816 -3.167
218 HD2 HIS 66 HD2 HIS 66 -7.634 4.250 -3.402
219 HE1 HIS 66 HE1 HIS 66 -3.518 4.665 -3.671
220 H GLN 67 H GLN 67 -8.891 8.742 -0.571
221 HA GLN 67 HA GLN 67 -9.406 11.098 -1.943
222 1HB GLN 67 2HB GLN 67 -9.752 10.471 1.025
223 2HB GLN 67 1HB GLN 67 -10.447 11.896 0.260
224 1HG GLN 67 2HG GLN 67 -10.942 9.075 -0.739
225 2HG GLN 67 1HG GLN 67 -12.013 9.897 0.394
226 1HE2 GLN 67 2HE2 GLN 67 -12.927 12.421 -2.107
227 2HE2 GLN 67 1HE2 GLN 67 -12.438 12.357 -0.482
228 H GLU 68 H GLU 68 -7.283 10.740 0.886
229 HA GLU 68 HA GLU 68 -5.669 12.186 1.777
230 1HB GLU 68 2HB GLU 68 -5.548 12.877 -1.199
231 2HB GLU 68 1HB GLU 68 -4.383 13.474 -0.027
232 1HG GLU 68 2HG GLU 68 -3.755 11.176 0.561
233 2HG GLU 68 1HG GLU 68 -4.979 10.539 -0.535
234 H LYS 69 H LYS 69 -6.381 13.743 3.073
235 HA LYS 69 HA LYS 69 -8.380 15.610 2.684
236 1HB LYS 69 2HB LYS 69 -5.728 16.092 4.133
237 2HB LYS 69 1HB LYS 69 -7.209 17.005 4.397
238 1HG LYS 69 2HG LYS 69 -8.349 15.075 5.265
239 2HG LYS 69 1HG LYS 69 -7.063 13.998 4.733
240 1HD LYS 69 2HD LYS 69 -5.493 15.186 6.288
241 2HD LYS 69 1HD LYS 69 -6.855 16.131 6.882
242 1HE LYS 69 2HE LYS 69 -7.964 14.160 7.710
243 2HE LYS 69 1HE LYS 69 -6.822 13.101 6.893
244 1HZ LYS 69 1HZ LYS 69 -5.458 14.911 8.585
245 2HZ LYS 69 3HZ LYS 69 -6.650 14.076 9.462
246 3HZ LYS 69 2HZ LYS 69 -5.461 13.213 8.608
247 H ALA 70 H ALA 70 -8.702 17.124 1.218
248 HA ALA 70 HA ALA 70 -6.641 18.006 -0.592
249 1HB ALA 70 3HB ALA 70 -9.458 19.018 0.025
250 2HB ALA 70 2HB ALA 70 -8.461 19.711 -1.249
251 3HB ALA 70 1HB ALA 70 -8.960 18.025 -1.341
No H/Q in entry = 251
Start of MODEL 43
1 1H ASP 39 3H ASP 39 -9.592 -13.192 -9.799
2 2H ASP 39 2H ASP 39 -9.065 -14.796 -9.981
3 3H ASP 39 1H ASP 39 -10.231 -14.414 -8.807
4 HA ASP 39 HA ASP 39 -8.510 -14.421 -7.410
5 1HB ASP 39 2HB ASP 39 -6.146 -13.912 -8.248
6 2HB ASP 39 1HB ASP 39 -6.893 -15.296 -9.042
7 H ARG 40 H ARG 40 -8.723 -12.793 -6.045
8 HA ARG 40 HA ARG 40 -8.930 -10.592 -5.249
9 1HB ARG 40 2HB ARG 40 -6.631 -10.226 -7.228
10 2HB ARG 40 1HB ARG 40 -6.979 -9.181 -5.854
11 1HG ARG 40 2HG ARG 40 -6.603 -11.058 -4.306
12 2HG ARG 40 1HG ARG 40 -6.314 -12.139 -5.664
13 1HD ARG 40 2HD ARG 40 -4.680 -9.628 -5.210
14 2HD ARG 40 1HD ARG 40 -4.217 -11.194 -4.547
15 HE ARG 40 HE ARG 40 -4.745 -11.284 -7.417
16 1HH1 ARG 40 HH1 ARG 40 -2.539 -10.549 -4.895
17 2HH1 ARG 40 HH1 ARG 40 -1.120 -10.870 -5.837
18 1HH2 ARG 40 HH2 ARG 40 -2.965 -11.743 -8.687
19 2HH2 ARG 40 HH2 ARG 40 -1.368 -11.563 -8.039
20 HA PRO 41 HA PRO 41 -11.131 -9.269 -9.133
21 1HB PRO 41 2HB PRO 41 -13.622 -9.041 -7.645
22 2HB PRO 41 1HB PRO 41 -13.218 -10.254 -8.865
23 1HG PRO 41 2HG PRO 41 -13.425 -10.623 -5.971
24 2HG PRO 41 1HG PRO 41 -13.101 -11.855 -7.199
25 1HD PRO 41 1HD PRO 41 -11.215 -10.663 -5.328
26 2HD PRO 41 2HD PRO 41 -10.894 -11.927 -6.528
27 H TYR 42 H TYR 42 -10.666 -8.062 -5.957
28 HA TYR 42 HA TYR 42 -11.691 -5.377 -6.707
29 1HB TYR 42 2HB TYR 42 -11.069 -6.720 -4.028
30 2HB TYR 42 1HB TYR 42 -11.097 -4.966 -4.139
31 HD1 TYR 42 HD2 TYR 42 -13.420 -4.396 -5.958
32 HD2 TYR 42 HD1 TYR 42 -13.021 -7.314 -2.879
33 HE1 TYR 42 HE2 TYR 42 -15.795 -4.268 -5.549
34 HE2 TYR 42 HE1 TYR 42 -15.422 -7.170 -2.479
35 HH TYR 42 HH TYR 42 -17.298 -4.968 -3.149
36 H SER 43 H SER 43 -9.838 -5.269 -8.149
37 HA SER 43 HA SER 43 -7.312 -4.486 -6.710
38 1HB SER 43 2HB SER 43 -7.907 -5.336 -9.577
39 2HB SER 43 1HB SER 43 -6.340 -4.685 -9.071
40 HG SER 43 HG SER 43 -6.847 -6.339 -7.224
41 H CYS 44 H CYS 44 -8.156 -2.371 -6.146
42 HA CYS 44 HA CYS 44 -9.286 -0.462 -7.832
43 1HB CYS 44 2HB CYS 44 -8.673 -0.191 -5.381
44 2HB CYS 44 1HB CYS 44 -7.012 0.004 -5.872
45 H ASP 45 H ASP 45 -8.191 1.468 -8.819
46 HA ASP 45 HA ASP 45 -5.494 0.864 -9.960
47 1HB ASP 45 2HB ASP 45 -7.406 -0.045 -11.461
48 2HB ASP 45 1HB ASP 45 -7.832 1.637 -11.762
49 H HIS 46 H HIS 46 -5.499 2.784 -8.248
50 HA HIS 46 HA HIS 46 -5.885 5.370 -9.735
51 1HB HIS 46 2HB HIS 46 -7.157 5.260 -7.659
52 2HB HIS 46 1HB HIS 46 -5.797 4.595 -6.787
53 HD1 HIS 46 HD1 HIS 46 -7.078 7.760 -7.999
54 HD2 HIS 46 HD2 HIS 46 -3.858 6.428 -5.954
55 HE1 HIS 46 HE1 HIS 46 -6.074 9.758 -7.076
56 HA PRO 47 HA PRO 47 -1.452 5.826 -10.120
57 1HB PRO 47 2HB PRO 47 -1.561 8.612 -9.050
58 2HB PRO 47 1HB PRO 47 -1.098 8.063 -10.666
59 1HG PRO 47 2HG PRO 47 -3.597 9.293 -9.926
60 2HG PRO 47 1HG PRO 47 -3.202 8.579 -11.495
61 1HD PRO 47 1HD PRO 47 -5.036 7.536 -9.509
62 2HD PRO 47 2HD PRO 47 -4.613 6.803 -11.061
63 H GLY 48 H GLY 48 0.064 5.087 -8.717
64 1HA GLY 48 2HA GLY 48 1.134 4.594 -6.665
65 2HA GLY 48 1HA GLY 48 0.643 6.214 -6.156
66 H CYS 49 H CYS 49 -0.715 2.984 -6.726
67 HA CYS 49 HA CYS 49 -2.451 3.349 -4.307
68 1HB CYS 49 2HB CYS 49 -3.853 3.508 -6.181
69 2HB CYS 49 1HB CYS 49 -2.924 2.365 -7.103
70 H ASP 50 H ASP 50 -2.725 1.650 -2.934
71 HA ASP 50 HA ASP 50 -0.833 -0.626 -3.184
72 1HB ASP 50 2HB ASP 50 -2.756 0.220 -0.948
73 2HB ASP 50 1HB ASP 50 -1.589 -1.093 -0.816
74 H LYS 51 H LYS 51 -3.123 -0.398 -4.896
75 HA LYS 51 HA LYS 51 -5.424 -1.788 -4.536
76 1HB LYS 51 2HB LYS 51 -4.728 -2.824 -6.969
77 2HB LYS 51 1HB LYS 51 -5.148 -1.131 -6.756
78 1HG LYS 51 2HG LYS 51 -2.982 -1.535 -8.020
79 2HG LYS 51 1HG LYS 51 -2.823 -0.478 -6.640
80 1HD LYS 51 2HD LYS 51 -1.741 -2.120 -5.335
81 2HD LYS 51 1HD LYS 51 -2.335 -3.423 -6.323
82 1HE LYS 51 2HE LYS 51 -0.489 -1.302 -7.403
83 2HE LYS 51 1HE LYS 51 0.133 -2.725 -6.579
84 1HZ LYS 51 3HZ LYS 51 -1.061 -4.109 -8.185
85 2HZ LYS 51 2HZ LYS 51 -1.573 -2.712 -9.004
86 3HZ LYS 51 1HZ LYS 51 0.080 -3.098 -8.936
87 H ALA 52 H ALA 52 -5.916 -3.945 -5.606
88 HA ALA 52 HA ALA 52 -5.688 -6.310 -5.738
89 1HB ALA 52 1HB ALA 52 -3.075 -5.746 -5.482
90 2HB ALA 52 3HB ALA 52 -3.322 -6.283 -3.823
91 3HB ALA 52 2HB ALA 52 -3.651 -7.378 -5.163
92 H PHE 53 H PHE 53 -7.319 -7.161 -4.639
93 HA PHE 53 HA PHE 53 -7.067 -7.495 -1.720
94 1HB PHE 53 2HB PHE 53 -9.218 -5.802 -3.032
95 2HB PHE 53 1HB PHE 53 -9.349 -6.369 -1.394
96 HD1 PHE 53 HD2 PHE 53 -7.013 -5.926 0.004
97 HD2 PHE 53 HD1 PHE 53 -8.355 -3.661 -3.353
98 HE1 PHE 53 HE2 PHE 53 -5.495 -4.093 0.618
99 HE2 PHE 53 HE1 PHE 53 -6.854 -1.843 -2.719
100 HZ PHE 53 HZ PHE 53 -5.395 -2.065 -0.771
101 H VAL 54 H VAL 54 -8.402 -9.016 -0.847
102 HA VAL 54 HA VAL 54 -9.851 -10.740 -2.825
103 HB VAL 54 HB VAL 54 -7.961 -11.683 -1.358
104 1HG1 VAL 54 2HG1 VAL 54 -8.689 -10.311 0.676
105 2HG1 VAL 54 1HG1 VAL 54 -9.962 -11.506 0.892
106 3HG1 VAL 54 3HG1 VAL 54 -8.275 -11.991 0.984
107 1HG2 VAL 54 2HG2 VAL 54 -9.729 -13.119 -2.351
108 2HG2 VAL 54 1HG2 VAL 54 -9.186 -13.741 -0.796
109 3HG2 VAL 54 3HG2 VAL 54 -10.712 -12.870 -0.911
110 H ARG 55 H ARG 55 -10.070 -9.250 0.350
111 HA ARG 55 HA ARG 55 -12.925 -9.956 0.613
112 1HB ARG 55 2HB ARG 55 -10.779 -8.683 2.331
113 2HB ARG 55 1HB ARG 55 -12.433 -8.195 2.691
114 1HG ARG 55 2HG ARG 55 -13.103 -10.418 3.199
115 2HG ARG 55 1HG ARG 55 -11.699 -11.117 2.408
116 1HD ARG 55 2HD ARG 55 -10.221 -10.262 4.145
117 2HD ARG 55 1HD ARG 55 -11.547 -9.368 4.887
118 HE ARG 55 HE ARG 55 -12.235 -11.379 5.915
119 1HH1 ARG 55 HH1 ARG 55 -12.936 -13.235 4.029
120 2HH1 ARG 55 HH1 ARG 55 -11.642 -14.380 3.925
121 1HH2 ARG 55 HH2 ARG 55 -9.347 -12.232 5.476
122 2HH2 ARG 55 HH2 ARG 55 -9.556 -13.798 4.765
123 H ASN 56 H ASN 56 -14.321 -7.969 1.412
124 HA ASN 56 HA ASN 56 -14.227 -6.023 -0.829
125 1HB ASN 56 2HB ASN 56 -16.371 -7.182 -0.222
126 2HB ASN 56 1HB ASN 56 -16.303 -6.453 1.380
127 1HD2 ASN 56 HD2 ASN 56 -16.783 -3.806 -1.738
128 2HD2 ASN 56 HD2 ASN 56 -15.665 -5.074 -1.891
129 H HIS 57 H HIS 57 -15.030 -5.658 2.627
130 HA HIS 57 HA HIS 57 -14.785 -2.973 3.005
131 1HB HIS 57 2HB HIS 57 -13.210 -4.812 4.861
132 2HB HIS 57 1HB HIS 57 -14.217 -3.430 5.286
133 HD1 HIS 57 HD1 HIS 57 -14.433 -6.763 5.658
134 HD2 HIS 57 HD2 HIS 57 -17.056 -4.136 4.027
135 HE1 HIS 57 HE1 HIS 57 -16.575 -7.887 5.766
136 H ASP 58 H ASP 58 -12.092 -5.085 2.259
137 HA ASP 58 HA ASP 58 -9.971 -3.343 2.979
138 1HB ASP 58 2HB ASP 58 -10.068 -5.175 0.528
139 2HB ASP 58 1HB ASP 58 -8.626 -4.652 1.391
140 H LEU 59 H LEU 59 -11.601 -3.723 -0.173
141 HA LEU 59 HA LEU 59 -10.220 -1.586 -1.461
142 1HB LEU 59 2HB LEU 59 -11.592 -3.310 -2.640
143 2HB LEU 59 1HB LEU 59 -13.050 -2.679 -1.912
144 HG LEU 59 HG LEU 59 -12.951 -0.671 -3.197
145 1HD1 LEU 59 HD1 LEU 59 -10.085 -1.497 -3.791
146 2HD1 LEU 59 HD1 LEU 59 -10.916 -0.299 -4.780
147 3HD1 LEU 59 HD1 LEU 59 -10.638 0.012 -3.081
148 1HD2 LEU 59 HD2 LEU 59 -12.013 -2.958 -4.917
149 2HD2 LEU 59 HD2 LEU 59 -13.679 -2.574 -4.499
150 3HD2 LEU 59 HD2 LEU 59 -12.763 -1.491 -5.531
151 H ILE 60 H ILE 60 -12.907 -1.592 0.777
152 HA ILE 60 HA ILE 60 -13.732 1.117 0.142
153 HB ILE 60 HB ILE 60 -14.256 -0.767 2.490
154 1HG1 ILE 60 2HG1 ILE 60 -16.586 -0.642 1.609
155 2HG1 ILE 60 1HG1 ILE 60 -16.029 0.416 0.318
156 1HG2 ILE 60 1HG2 ILE 60 -15.101 2.150 2.090
157 2HG2 ILE 60 3HG2 ILE 60 -16.024 1.059 3.121
158 3HG2 ILE 60 2HG2 ILE 60 -14.350 1.437 3.515
159 1HD1 ILE 60 HD1 ILE 60 -14.740 -2.277 0.756
160 2HD1 ILE 60 HD1 ILE 60 -16.221 -2.135 -0.179
161 3HD1 ILE 60 HD1 ILE 60 -14.766 -1.297 -0.706
162 H ARG 61 H ARG 61 -11.776 -0.347 2.704
163 HA ARG 61 HA ARG 61 -11.135 2.236 3.874
164 1HB ARG 61 2HB ARG 61 -11.082 0.030 5.131
165 2HB ARG 61 1HB ARG 61 -9.685 -0.446 4.172
166 1HG ARG 61 2HG ARG 61 -8.295 1.207 5.140
167 2HG ARG 61 1HG ARG 61 -9.660 2.167 5.698
168 1HD ARG 61 2HD ARG 61 -8.960 -0.592 6.765
169 2HD ARG 61 1HD ARG 61 -8.533 0.922 7.561
170 HE ARG 61 HE ARG 61 -11.079 -0.334 7.746
171 1HH1 ARG 61 HH2 ARG 61 -9.583 2.278 8.869
172 2HH1 ARG 61 HH2 ARG 61 -10.889 3.405 8.719
173 1HH2 ARG 61 HH1 ARG 61 -12.804 1.232 6.745
174 2HH2 ARG 61 HH1 ARG 61 -12.762 2.798 7.484
175 H HIS 62 H HIS 62 -9.835 0.242 1.355
176 HA HIS 62 HA HIS 62 -7.245 1.574 1.306
177 1HB HIS 62 2HB HIS 62 -7.142 -0.639 0.415
178 2HB HIS 62 1HB HIS 62 -8.662 -0.462 -0.410
179 HD1 HIS 62 HD1 HIS 62 -5.226 -0.333 -1.109
180 HD2 HIS 62 HD2 HIS 62 -8.511 1.379 -2.744
181 HE1 HIS 62 HE1 HIS 62 -4.477 0.542 -3.263
182 H LYS 63 H LYS 63 -10.254 1.747 -0.600
183 HA LYS 63 HA LYS 63 -9.268 3.723 -2.434
184 1HB LYS 63 2HB LYS 63 -11.369 2.229 -2.656
185 2HB LYS 63 1HB LYS 63 -12.170 3.355 -1.569
186 1HG LYS 63 2HG LYS 63 -11.424 5.205 -3.192
187 2HG LYS 63 1HG LYS 63 -11.028 3.911 -4.317
188 1HD LYS 63 2HD LYS 63 -13.348 3.078 -4.198
189 2HD LYS 63 1HD LYS 63 -13.751 4.339 -3.037
190 1HE LYS 63 2HE LYS 63 -13.013 6.033 -4.785
191 2HE LYS 63 1HE LYS 63 -12.923 4.701 -5.931
192 1HZ LYS 63 3HZ LYS 63 -15.370 5.248 -4.368
193 2HZ LYS 63 2HZ LYS 63 -15.064 6.013 -5.853
194 3HZ LYS 63 1HZ LYS 63 -15.204 4.322 -5.782
195 H LYS 64 H LYS 64 -11.144 3.972 0.573
196 HA LYS 64 HA LYS 64 -11.651 6.733 0.544
197 1HB LYS 64 2HB LYS 64 -10.947 4.861 2.857
198 2HB LYS 64 1HB LYS 64 -11.493 6.513 3.112
199 1HG LYS 64 2HG LYS 64 -13.138 4.693 1.344
200 2HG LYS 64 1HG LYS 64 -13.249 4.505 3.088
201 1HD LYS 64 2HD LYS 64 -13.952 6.808 3.368
202 2HD LYS 64 1HD LYS 64 -13.631 7.167 1.678
203 1HE LYS 64 2HE LYS 64 -15.382 5.580 0.987
204 2HE LYS 64 1HE LYS 64 -15.684 5.165 2.668
205 1HZ LYS 64 1HZ LYS 64 -15.990 7.882 1.524
206 2HZ LYS 64 3HZ LYS 64 -17.264 6.789 1.772
207 3HZ LYS 64 2HZ LYS 64 -16.395 7.394 3.099
208 H SER 65 H SER 65 -8.641 5.105 0.859
209 HA SER 65 HA SER 65 -7.238 7.251 2.214
210 1HB SER 65 2HB SER 65 -6.151 5.011 0.417
211 2HB SER 65 1HB SER 65 -5.203 5.965 1.572
212 HG SER 65 HG SER 65 -7.328 5.168 2.865
213 H HIS 66 H HIS 66 -8.012 6.502 -1.103
214 HA HIS 66 HA HIS 66 -6.100 8.263 -2.328
215 1HB HIS 66 2HB HIS 66 -8.792 7.125 -3.219
216 2HB HIS 66 1HB HIS 66 -7.825 8.155 -4.272
217 HD1 HIS 66 HD1 HIS 66 -5.131 7.019 -3.578
218 HD2 HIS 66 HD2 HIS 66 -8.305 4.617 -4.344
219 HE1 HIS 66 HE1 HIS 66 -4.175 4.897 -4.228
220 H GLN 67 H GLN 67 -8.339 9.087 -0.177
221 HA GLN 67 HA GLN 67 -9.591 11.354 -1.506
222 1HB GLN 67 2HB GLN 67 -10.425 10.036 0.590
223 2HB GLN 67 1HB GLN 67 -9.249 10.974 1.505
224 1HG GLN 67 2HG GLN 67 -11.250 12.250 1.668
225 2HG GLN 67 1HG GLN 67 -10.337 13.060 0.399
226 1HE2 GLN 67 2HE2 GLN 67 -13.830 12.467 -0.829
227 2HE2 GLN 67 1HE2 GLN 67 -13.161 13.295 0.494
228 H GLU 68 H GLU 68 -7.260 11.207 1.202
229 HA GLU 68 HA GLU 68 -6.477 14.002 0.677
230 1HB GLU 68 2HB GLU 68 -4.822 13.362 2.651
231 2HB GLU 68 1HB GLU 68 -6.544 13.481 3.001
232 1HG GLU 68 2HG GLU 68 -6.831 11.120 2.990
233 2HG GLU 68 1HG GLU 68 -5.299 10.852 2.170
234 H LYS 69 H LYS 69 -5.335 14.089 -1.216
235 HA LYS 69 HA LYS 69 -3.530 13.816 -2.679
236 1HB LYS 69 2HB LYS 69 -2.507 14.540 -0.309
237 2HB LYS 69 1HB LYS 69 -1.875 12.899 -0.289
238 1HG LYS 69 2HG LYS 69 -0.733 13.278 -2.425
239 2HG LYS 69 1HG LYS 69 -1.445 14.883 -2.553
240 1HD LYS 69 2HD LYS 69 -0.313 15.492 -0.390
241 2HD LYS 69 1HD LYS 69 0.492 13.930 -0.417
242 1HE LYS 69 2HE LYS 69 1.388 14.543 -2.712
243 2HE LYS 69 1HE LYS 69 0.758 16.164 -2.450
244 1HZ LYS 69 2HZ LYS 69 2.101 15.898 -0.223
245 2HZ LYS 69 1HZ LYS 69 3.001 14.807 -1.164
246 3HZ LYS 69 3HZ LYS 69 2.847 16.425 -1.655
247 H ALA 70 H ALA 70 -1.835 12.205 -3.427
248 HA ALA 70 HA ALA 70 -2.998 9.729 -4.000
249 1HB ALA 70 3HB ALA 70 -0.057 10.520 -3.765
250 2HB ALA 70 2HB ALA 70 -0.579 8.981 -4.435
251 3HB ALA 70 1HB ALA 70 -1.028 10.483 -5.230
No H/Q in entry = 251
Start of MODEL 44
1 1H ASP 39 3H ASP 39 -13.351 -15.508 -4.850
2 2H ASP 39 2H ASP 39 -13.480 -16.327 -6.332
3 3H ASP 39 1H ASP 39 -12.904 -17.143 -4.958
4 HA ASP 39 HA ASP 39 -10.868 -16.669 -5.599
5 1HB ASP 39 2HB ASP 39 -12.082 -16.080 -7.881
6 2HB ASP 39 1HB ASP 39 -11.819 -14.403 -7.411
7 H ARG 40 H ARG 40 -9.793 -14.069 -6.316
8 HA ARG 40 HA ARG 40 -10.500 -12.328 -4.017
9 1HB ARG 40 2HB ARG 40 -8.065 -12.277 -3.306
10 2HB ARG 40 1HB ARG 40 -8.781 -13.861 -3.090
11 1HG ARG 40 2HG ARG 40 -7.825 -14.182 -5.610
12 2HG ARG 40 1HG ARG 40 -6.699 -12.948 -5.067
13 1HD ARG 40 2HD ARG 40 -6.320 -14.424 -2.991
14 2HD ARG 40 1HD ARG 40 -7.156 -15.696 -3.881
15 HE ARG 40 HE ARG 40 -4.989 -14.467 -5.407
16 1HH1 ARG 40 HH2 ARG 40 -5.998 -17.345 -5.401
17 2HH1 ARG 40 HH2 ARG 40 -4.649 -18.176 -4.700
18 1HH2 ARG 40 HH1 ARG 40 -3.202 -15.222 -3.488
19 2HH2 ARG 40 HH1 ARG 40 -3.024 -16.943 -3.588
20 HA PRO 41 HA PRO 41 -9.122 -10.070 -7.781
21 1HB PRO 41 2HB PRO 41 -11.589 -8.790 -8.286
22 2HB PRO 41 1HB PRO 41 -11.095 -10.319 -9.008
23 1HG PRO 41 2HG PRO 41 -13.115 -9.849 -6.876
24 2HG PRO 41 1HG PRO 41 -12.909 -11.267 -7.914
25 1HD PRO 41 1HD PRO 41 -12.055 -10.969 -5.149
26 2HD PRO 41 2HD PRO 41 -11.802 -12.365 -6.207
27 H TYR 42 H TYR 42 -11.724 -8.058 -6.663
28 HA TYR 42 HA TYR 42 -11.614 -5.779 -6.092
29 1HB TYR 42 2HB TYR 42 -10.467 -7.342 -3.706
30 2HB TYR 42 1HB TYR 42 -10.935 -5.640 -3.635
31 HD1 TYR 42 HD1 TYR 42 -13.269 -4.943 -4.037
32 HD2 TYR 42 HD2 TYR 42 -12.196 -9.049 -3.787
33 HE1 TYR 42 HE1 TYR 42 -15.621 -5.531 -3.708
34 HE2 TYR 42 HE2 TYR 42 -14.552 -9.639 -3.448
35 HH TYR 42 HH TYR 42 -17.101 -7.428 -3.965
36 H SER 43 H SER 43 -10.169 -4.971 -7.570
37 HA SER 43 HA SER 43 -7.491 -4.273 -6.390
38 1HB SER 43 2HB SER 43 -6.558 -4.493 -8.741
39 2HB SER 43 1HB SER 43 -7.215 -6.039 -8.166
40 HG SER 43 HG SER 43 -9.213 -5.421 -9.152
41 H CYS 44 H CYS 44 -7.946 -2.215 -5.879
42 HA CYS 44 HA CYS 44 -9.572 -0.385 -7.326
43 1HB CYS 44 2HB CYS 44 -8.977 0.754 -5.414
44 2HB CYS 44 1HB CYS 44 -7.627 -0.305 -5.150
45 H ASP 45 H ASP 45 -8.399 1.722 -8.146
46 HA ASP 45 HA ASP 45 -6.195 1.017 -10.036
47 1HB ASP 45 2HB ASP 45 -8.417 0.633 -11.193
48 2HB ASP 45 1HB ASP 45 -8.834 2.318 -10.894
49 H HIS 46 H HIS 46 -5.605 2.587 -7.933
50 HA HIS 46 HA HIS 46 -5.874 5.405 -8.891
51 1HB HIS 46 2HB HIS 46 -6.556 4.572 -6.490
52 2HB HIS 46 1HB HIS 46 -4.823 4.521 -6.175
53 HD1 HIS 46 HD1 HIS 46 -7.059 7.055 -7.733
54 HD2 HIS 46 HD2 HIS 46 -4.026 6.836 -5.076
55 HE1 HIS 46 HE1 HIS 46 -6.688 9.348 -7.044
56 HA PRO 47 HA PRO 47 -1.548 5.127 -10.020
57 1HB PRO 47 2HB PRO 47 -0.956 7.940 -9.815
58 2HB PRO 47 1HB PRO 47 -1.484 7.087 -11.270
59 1HG PRO 47 2HG PRO 47 -3.049 8.893 -9.510
60 2HG PRO 47 1HG PRO 47 -3.413 8.363 -11.158
61 1HD PRO 47 1HD PRO 47 -4.684 7.429 -8.784
62 2HD PRO 47 2HD PRO 47 -4.805 6.692 -10.393
63 H GLY 48 H GLY 48 0.428 5.031 -9.005
64 1HA GLY 48 2HA GLY 48 1.993 5.082 -7.261
65 2HA GLY 48 1HA GLY 48 1.184 6.530 -6.684
66 H CYS 49 H CYS 49 -0.692 3.614 -7.028
67 HA CYS 49 HA CYS 49 -0.648 3.300 -4.020
68 1HB CYS 49 2HB CYS 49 -2.749 4.185 -4.837
69 2HB CYS 49 1HB CYS 49 -2.831 2.983 -6.077
70 H ASP 50 H ASP 50 -1.179 1.118 -3.236
71 HA ASP 50 HA ASP 50 0.372 -0.901 -4.675
72 1HB ASP 50 2HB ASP 50 -0.252 -2.323 -2.622
73 2HB ASP 50 1HB ASP 50 0.644 -0.845 -2.281
74 H LYS 51 H LYS 51 -2.967 -0.799 -3.586
75 HA LYS 51 HA LYS 51 -4.816 -1.939 -4.355
76 1HB LYS 51 2HB LYS 51 -3.090 -2.003 -6.842
77 2HB LYS 51 1HB LYS 51 -4.636 -2.815 -6.839
78 1HG LYS 51 2HG LYS 51 -5.231 -0.710 -7.618
79 2HG LYS 51 1HG LYS 51 -5.527 -0.520 -5.923
80 1HD LYS 51 2HD LYS 51 -4.318 1.382 -6.416
81 2HD LYS 51 1HD LYS 51 -3.066 0.314 -5.826
82 1HE LYS 51 2HE LYS 51 -2.447 1.529 -7.925
83 2HE LYS 51 1HE LYS 51 -2.369 -0.214 -8.077
84 1HZ LYS 51 2HZ LYS 51 -4.827 1.223 -8.808
85 2HZ LYS 51 1HZ LYS 51 -3.525 1.146 -9.897
86 3HZ LYS 51 3HZ LYS 51 -4.265 -0.283 -9.356
87 H ALA 52 H ALA 52 -5.558 -3.968 -5.508
88 HA ALA 52 HA ALA 52 -5.517 -6.326 -5.751
89 1HB ALA 52 3HB ALA 52 -2.864 -5.920 -5.723
90 2HB ALA 52 2HB ALA 52 -2.989 -6.551 -4.083
91 3HB ALA 52 1HB ALA 52 -3.511 -7.532 -5.447
92 H PHE 53 H PHE 53 -7.092 -7.166 -4.542
93 HA PHE 53 HA PHE 53 -6.560 -7.552 -1.633
94 1HB PHE 53 2HB PHE 53 -8.886 -5.998 -2.788
95 2HB PHE 53 1HB PHE 53 -8.836 -6.519 -1.139
96 HD1 PHE 53 HD1 PHE 53 -6.451 -5.890 0.041
97 HD2 PHE 53 HD2 PHE 53 -8.126 -3.848 -3.310
98 HE1 PHE 53 HE1 PHE 53 -4.991 -3.959 0.467
99 HE2 PHE 53 HE2 PHE 53 -6.662 -1.929 -2.870
100 HZ PHE 53 HZ PHE 53 -5.094 -2.000 -0.993
101 H VAL 54 H VAL 54 -8.764 -8.550 -0.684
102 HA VAL 54 HA VAL 54 -9.608 -10.720 -2.604
103 HB VAL 54 HB VAL 54 -9.578 -12.267 -0.673
104 1HG1 VAL 54 3HG1 VAL 54 -7.189 -10.903 -1.654
105 2HG1 VAL 54 2HG1 VAL 54 -6.933 -11.302 0.037
106 3HG1 VAL 54 1HG1 VAL 54 -7.331 -12.573 -1.112
107 1HG2 VAL 54 1HG2 VAL 54 -9.040 -9.748 0.916
108 2HG2 VAL 54 3HG2 VAL 54 -10.300 -10.953 1.169
109 3HG2 VAL 54 2HG2 VAL 54 -8.634 -11.334 1.561
110 H ARG 55 H ARG 55 -10.553 -8.982 0.361
111 HA ARG 55 HA ARG 55 -13.394 -9.724 -0.153
112 1HB ARG 55 2HB ARG 55 -11.950 -9.606 2.192
113 2HB ARG 55 1HB ARG 55 -12.612 -7.982 2.200
114 1HG ARG 55 2HG ARG 55 -14.330 -9.138 3.302
115 2HG ARG 55 1HG ARG 55 -14.902 -9.229 1.645
116 1HD ARG 55 2HD ARG 55 -13.164 -11.416 2.846
117 2HD ARG 55 1HD ARG 55 -14.919 -11.427 2.995
118 HE ARG 55 HE ARG 55 -14.937 -11.315 0.415
119 1HH1 ARG 55 HH2 ARG 55 -13.309 -13.465 2.367
120 2HH1 ARG 55 HH2 ARG 55 -12.348 -14.183 1.118
121 1HH2 ARG 55 HH1 ARG 55 -13.328 -11.810 -1.272
122 2HH2 ARG 55 HH1 ARG 55 -12.359 -13.220 -0.998
123 H ASN 56 H ASN 56 -14.819 -7.670 0.791
124 HA ASN 56 HA ASN 56 -14.303 -5.549 -1.241
125 1HB ASN 56 2HB ASN 56 -16.561 -6.578 -1.200
126 2HB ASN 56 1HB ASN 56 -16.738 -6.188 0.509
127 1HD2 ASN 56 HD2 ASN 56 -16.527 -2.876 -1.913
128 2HD2 ASN 56 HD2 ASN 56 -15.363 -4.102 -2.064
129 H HIS 57 H HIS 57 -15.064 -5.864 2.237
130 HA HIS 57 HA HIS 57 -15.098 -3.190 2.975
131 1HB HIS 57 2HB HIS 57 -14.571 -3.935 5.196
132 2HB HIS 57 1HB HIS 57 -15.239 -5.381 4.453
133 HD1 HIS 57 HD1 HIS 57 -13.744 -7.302 4.699
134 HD2 HIS 57 HD2 HIS 57 -11.575 -3.889 4.946
135 HE1 HIS 57 HE1 HIS 57 -11.493 -8.043 5.203
136 H ASP 58 H ASP 58 -12.228 -5.138 2.245
137 HA ASP 58 HA ASP 58 -10.281 -3.260 3.089
138 1HB ASP 58 2HB ASP 58 -10.247 -5.102 0.629
139 2HB ASP 58 1HB ASP 58 -8.823 -4.334 1.324
140 H LEU 59 H LEU 59 -11.729 -3.710 -0.108
141 HA LEU 59 HA LEU 59 -10.627 -1.520 -1.455
142 1HB LEU 59 2HB LEU 59 -12.599 -3.461 -1.944
143 2HB LEU 59 1HB LEU 59 -13.570 -2.000 -1.932
144 HG LEU 59 HG LEU 59 -12.790 -2.563 -4.217
145 1HD1 LEU 59 HD1 LEU 59 -11.500 -0.062 -3.064
146 2HD1 LEU 59 HD1 LEU 59 -11.824 -0.340 -4.769
147 3HD1 LEU 59 HD1 LEU 59 -13.162 -0.198 -3.631
148 1HD2 LEU 59 HD2 LEU 59 -10.444 -3.421 -3.084
149 2HD2 LEU 59 HD2 LEU 59 -10.585 -2.998 -4.785
150 3HD2 LEU 59 HD2 LEU 59 -9.936 -1.828 -3.640
151 H ILE 60 H ILE 60 -13.220 -1.592 0.922
152 HA ILE 60 HA ILE 60 -14.028 1.146 0.466
153 HB ILE 60 HB ILE 60 -14.369 -0.480 3.022
154 1HG1 ILE 60 2HG1 ILE 60 -16.091 -0.449 0.520
155 2HG1 ILE 60 1HG1 ILE 60 -15.141 -1.804 1.100
156 1HG2 ILE 60 2HG2 ILE 60 -14.966 2.027 2.942
157 2HG2 ILE 60 1HG2 ILE 60 -16.173 1.625 1.726
158 3HG2 ILE 60 3HG2 ILE 60 -16.313 0.971 3.354
159 1HD1 ILE 60 HD1 ILE 60 -16.547 -1.406 3.346
160 2HD1 ILE 60 HD1 ILE 60 -17.679 -0.650 2.228
161 3HD1 ILE 60 HD1 ILE 60 -17.229 -2.338 2.016
162 H ARG 61 H ARG 61 -12.308 -0.374 3.167
163 HA ARG 61 HA ARG 61 -11.488 2.163 4.253
164 1HB ARG 61 2HB ARG 61 -10.770 -0.751 4.706
165 2HB ARG 61 1HB ARG 61 -9.694 0.465 5.387
166 1HG ARG 61 2HG ARG 61 -12.681 0.695 5.837
167 2HG ARG 61 1HG ARG 61 -11.738 -0.419 6.819
168 1HD ARG 61 2HD ARG 61 -10.217 1.457 7.460
169 2HD ARG 61 1HD ARG 61 -11.216 2.566 6.526
170 HE ARG 61 HE ARG 61 -13.008 1.342 8.259
171 1HH1 ARG 61 HH1 ARG 61 -10.023 3.021 8.454
172 2HH1 ARG 61 HH1 ARG 61 -10.336 3.708 10.013
173 1HH2 ARG 61 HH2 ARG 61 -13.487 2.192 10.270
174 2HH2 ARG 61 HH2 ARG 61 -12.350 3.226 11.068
175 H HIS 62 H HIS 62 -10.488 0.409 1.558
176 HA HIS 62 HA HIS 62 -7.704 1.393 1.642
177 1HB HIS 62 2HB HIS 62 -7.960 -0.829 0.704
178 2HB HIS 62 1HB HIS 62 -9.287 -0.299 -0.292
179 HD1 HIS 62 HD1 HIS 62 -5.748 -0.492 -0.336
180 HD2 HIS 62 HD2 HIS 62 -8.589 1.389 -2.483
181 HE1 HIS 62 HE1 HIS 62 -4.578 0.401 -2.268
182 H LYS 63 H LYS 63 -10.623 1.831 -0.370
183 HA LYS 63 HA LYS 63 -9.384 3.863 -2.042
184 1HB LYS 63 2HB LYS 63 -11.491 2.363 -2.492
185 2HB LYS 63 1HB LYS 63 -12.384 3.562 -1.561
186 1HG LYS 63 2HG LYS 63 -11.378 5.330 -3.102
187 2HG LYS 63 1HG LYS 63 -10.802 4.010 -4.111
188 1HD LYS 63 2HD LYS 63 -13.692 4.621 -3.393
189 2HD LYS 63 1HD LYS 63 -12.951 4.762 -4.982
190 1HE LYS 63 2HE LYS 63 -14.014 2.672 -5.128
191 2HE LYS 63 1HE LYS 63 -12.381 2.212 -4.661
192 1HZ LYS 63 3HZ LYS 63 -14.004 2.791 -2.392
193 2HZ LYS 63 2HZ LYS 63 -14.693 1.573 -3.354
194 3HZ LYS 63 1HZ LYS 63 -13.114 1.391 -2.757
195 H LYS 64 H LYS 64 -10.792 3.946 1.101
196 HA LYS 64 HA LYS 64 -11.829 6.593 1.142
197 1HB LYS 64 2HB LYS 64 -10.627 4.736 3.227
198 2HB LYS 64 1HB LYS 64 -11.015 6.389 3.692
199 1HG LYS 64 2HG LYS 64 -13.089 4.729 2.236
200 2HG LYS 64 1HG LYS 64 -12.841 4.482 3.959
201 1HD LYS 64 2HD LYS 64 -13.194 6.940 4.328
202 2HD LYS 64 1HD LYS 64 -13.554 7.115 2.616
203 1HE LYS 64 2HE LYS 64 -15.083 5.443 4.630
204 2HE LYS 64 1HE LYS 64 -15.656 6.892 3.811
205 1HZ LYS 64 1HZ LYS 64 -14.974 5.363 1.739
206 2HZ LYS 64 3HZ LYS 64 -15.467 4.173 2.845
207 3HZ LYS 64 2HZ LYS 64 -16.535 5.418 2.405
208 H SER 65 H SER 65 -8.630 5.537 0.727
209 HA SER 65 HA SER 65 -7.465 8.086 1.757
210 1HB SER 65 2HB SER 65 -5.278 6.861 0.992
211 2HB SER 65 1HB SER 65 -6.170 6.087 2.316
212 HG SER 65 HG SER 65 -7.375 5.055 0.471
213 H HIS 66 H HIS 66 -8.939 7.137 -1.002
214 HA HIS 66 HA HIS 66 -7.077 8.640 -2.817
215 1HB HIS 66 2HB HIS 66 -9.416 6.746 -3.336
216 2HB HIS 66 1HB HIS 66 -8.602 7.640 -4.615
217 HD1 HIS 66 HD1 HIS 66 -5.777 7.181 -3.303
218 HD2 HIS 66 HD2 HIS 66 -8.442 4.282 -4.174
219 HE1 HIS 66 HE1 HIS 66 -4.459 5.158 -3.583
220 H GLN 67 H GLN 67 -10.581 8.164 -2.863
221 HA GLN 67 HA GLN 67 -12.347 9.713 -2.849
222 1HB GLN 67 2HB GLN 67 -10.571 10.971 -1.214
223 2HB GLN 67 1HB GLN 67 -10.437 12.072 -2.580
224 1HG GLN 67 2HG GLN 67 -13.058 12.078 -2.534
225 2HG GLN 67 1HG GLN 67 -12.877 11.430 -0.907
226 1HE2 GLN 67 1HE2 GLN 67 -13.967 13.670 -0.460
227 2HE2 GLN 67 2HE2 GLN 67 -12.920 14.985 -0.218
228 H GLU 68 H GLU 68 -10.672 8.923 -5.150
229 HA GLU 68 HA GLU 68 -10.500 9.417 -7.422
230 1HB GLU 68 2HB GLU 68 -13.076 9.933 -6.706
231 2HB GLU 68 1HB GLU 68 -12.621 11.578 -7.128
232 1HG GLU 68 2HG GLU 68 -13.457 10.637 -9.159
233 2HG GLU 68 1HG GLU 68 -11.706 10.568 -9.334
234 H LYS 69 H LYS 69 -11.183 12.091 -8.535
235 HA LYS 69 HA LYS 69 -10.048 14.072 -9.037
236 1HB LYS 69 2HB LYS 69 -10.652 14.289 -6.461
237 2HB LYS 69 1HB LYS 69 -8.934 14.021 -6.198
238 1HG LYS 69 2HG LYS 69 -8.494 15.908 -7.840
239 2HG LYS 69 1HG LYS 69 -10.220 16.245 -7.810
240 1HD LYS 69 2HD LYS 69 -8.450 16.168 -5.339
241 2HD LYS 69 1HD LYS 69 -8.907 17.644 -6.178
242 1HE LYS 69 2HE LYS 69 -11.363 16.795 -5.854
243 2HE LYS 69 1HE LYS 69 -10.666 15.738 -4.632
244 1HZ LYS 69 2HZ LYS 69 -9.652 17.786 -3.653
245 2HZ LYS 69 1HZ LYS 69 -10.630 18.694 -4.704
246 3HZ LYS 69 3HZ LYS 69 -11.343 17.683 -3.540
247 H ALA 70 H ALA 70 -8.020 14.774 -9.708
248 HA ALA 70 HA ALA 70 -5.552 13.622 -8.782
249 1HB ALA 70 3HB ALA 70 -6.796 12.529 -11.351
250 2HB ALA 70 2HB ALA 70 -5.089 12.346 -10.963
251 3HB ALA 70 1HB ALA 70 -6.309 11.605 -9.933
No H/Q in entry = 251
Start of MODEL 45
1 1H ASP 39 3H ASP 39 -7.657 -16.684 -3.014
2 2H ASP 39 2H ASP 39 -9.137 -17.513 -3.082
3 3H ASP 39 1H ASP 39 -7.938 -17.821 -4.244
4 HA ASP 39 HA ASP 39 -8.445 -16.060 -5.484
5 1HB ASP 39 2HB ASP 39 -10.856 -15.440 -5.303
6 2HB ASP 39 1HB ASP 39 -10.666 -17.177 -5.077
7 H ARG 40 H ARG 40 -7.940 -13.966 -5.610
8 HA ARG 40 HA ARG 40 -8.473 -12.171 -3.273
9 1HB ARG 40 2HB ARG 40 -5.765 -12.493 -4.680
10 2HB ARG 40 1HB ARG 40 -6.116 -11.324 -3.413
11 1HG ARG 40 2HG ARG 40 -6.698 -13.233 -1.886
12 2HG ARG 40 1HG ARG 40 -6.196 -14.348 -3.150
13 1HD ARG 40 2HD ARG 40 -4.377 -13.914 -1.488
14 2HD ARG 40 1HD ARG 40 -3.927 -13.419 -3.119
15 HE ARG 40 HE ARG 40 -5.081 -11.164 -1.852
16 1HH1 ARG 40 HH1 ARG 40 -3.045 -13.180 -0.237
17 2HH1 ARG 40 HH1 ARG 40 -1.712 -12.083 -0.103
18 1HH2 ARG 40 HH2 ARG 40 -3.139 -9.760 -2.306
19 2HH2 ARG 40 HH2 ARG 40 -1.766 -10.096 -1.304
20 HA PRO 41 HA PRO 41 -9.206 -10.181 -7.347
21 1HB PRO 41 2HB PRO 41 -11.975 -9.619 -6.759
22 2HB PRO 41 1HB PRO 41 -11.382 -10.923 -7.776
23 1HG PRO 41 2HG PRO 41 -12.586 -11.102 -5.116
24 2HG PRO 41 1HG PRO 41 -12.094 -12.428 -6.184
25 1HD PRO 41 1HD PRO 41 -10.691 -11.350 -3.838
26 2HD PRO 41 2HD PRO 41 -10.331 -12.807 -4.760
27 H TYR 42 H TYR 42 -11.168 -8.135 -7.088
28 HA TYR 42 HA TYR 42 -11.312 -5.911 -6.663
29 1HB TYR 42 2HB TYR 42 -10.695 -7.100 -3.921
30 2HB TYR 42 1HB TYR 42 -10.727 -5.343 -4.106
31 HD1 TYR 42 HD1 TYR 42 -12.905 -4.699 -5.857
32 HD2 TYR 42 HD2 TYR 42 -12.720 -7.801 -2.968
33 HE1 TYR 42 HE1 TYR 42 -15.305 -4.553 -5.586
34 HE2 TYR 42 HE2 TYR 42 -15.144 -7.660 -2.704
35 HH TYR 42 HH TYR 42 -17.159 -6.186 -4.868
36 H SER 43 H SER 43 -9.989 -4.760 -7.738
37 HA SER 43 HA SER 43 -7.316 -4.124 -6.552
38 1HB SER 43 2HB SER 43 -6.856 -5.787 -8.332
39 2HB SER 43 1HB SER 43 -7.887 -4.903 -9.473
40 HG SER 43 HG SER 43 -6.149 -3.785 -9.866
41 H CYS 44 H CYS 44 -7.843 -2.058 -5.994
42 HA CYS 44 HA CYS 44 -9.527 -0.271 -7.441
43 1HB CYS 44 2HB CYS 44 -9.007 0.846 -5.501
44 2HB CYS 44 1HB CYS 44 -7.575 -0.109 -5.265
45 H ASP 45 H ASP 45 -8.445 1.898 -8.198
46 HA ASP 45 HA ASP 45 -6.253 1.304 -10.148
47 1HB ASP 45 2HB ASP 45 -8.525 1.009 -11.261
48 2HB ASP 45 1HB ASP 45 -8.889 2.689 -10.878
49 H HIS 46 H HIS 46 -5.832 2.784 -7.832
50 HA HIS 46 HA HIS 46 -6.120 5.629 -8.586
51 1HB HIS 46 2HB HIS 46 -6.531 4.654 -6.224
52 2HB HIS 46 1HB HIS 46 -4.789 4.445 -6.114
53 HD1 HIS 46 HD1 HIS 46 -7.135 7.226 -6.822
54 HD2 HIS 46 HD2 HIS 46 -3.491 6.618 -5.176
55 HE1 HIS 46 HE1 HIS 46 -6.457 9.410 -6.023
56 HA PRO 47 HA PRO 47 -2.030 5.733 -10.389
57 1HB PRO 47 2HB PRO 47 -1.458 8.451 -9.390
58 2HB PRO 47 1HB PRO 47 -1.831 7.948 -11.043
59 1HG PRO 47 2HG PRO 47 -3.584 9.322 -9.164
60 2HG PRO 47 1HG PRO 47 -3.947 8.851 -10.831
61 1HD PRO 47 1HD PRO 47 -4.996 7.657 -8.426
62 2HD PRO 47 2HD PRO 47 -5.259 7.108 -10.092
63 H GLY 48 H GLY 48 -0.144 5.014 -9.699
64 1HA GLY 48 2HA GLY 48 1.556 4.314 -8.254
65 2HA GLY 48 1HA GLY 48 1.435 5.926 -7.569
66 H CYS 49 H CYS 49 -0.735 3.066 -7.502
67 HA CYS 49 HA CYS 49 -0.584 3.184 -4.493
68 1HB CYS 49 2HB CYS 49 -2.680 4.092 -5.205
69 2HB CYS 49 1HB CYS 49 -2.926 2.845 -6.374
70 H ASP 50 H ASP 50 -0.913 1.174 -3.393
71 HA ASP 50 HA ASP 50 0.423 -1.064 -4.570
72 1HB ASP 50 2HB ASP 50 0.156 -0.446 -2.071
73 2HB ASP 50 1HB ASP 50 -1.412 -1.244 -2.171
74 H LYS 51 H LYS 51 -2.963 -0.765 -3.717
75 HA LYS 51 HA LYS 51 -4.795 -1.910 -4.490
76 1HB LYS 51 2HB LYS 51 -2.962 -1.994 -6.890
77 2HB LYS 51 1HB LYS 51 -4.427 -2.957 -6.947
78 1HG LYS 51 2HG LYS 51 -5.155 -0.931 -7.828
79 2HG LYS 51 1HG LYS 51 -5.599 -0.737 -6.166
80 1HD LYS 51 2HD LYS 51 -4.510 1.254 -6.491
81 2HD LYS 51 1HD LYS 51 -3.137 0.276 -5.994
82 1HE LYS 51 2HE LYS 51 -3.867 1.287 -8.721
83 2HE LYS 51 1HE LYS 51 -2.296 1.242 -7.938
84 1HZ LYS 51 3HZ LYS 51 -3.754 -1.144 -8.919
85 2HZ LYS 51 2HZ LYS 51 -2.504 -0.360 -9.757
86 3HZ LYS 51 1HZ LYS 51 -2.186 -1.113 -8.269
87 H ALA 52 H ALA 52 -5.511 -3.989 -5.609
88 HA ALA 52 HA ALA 52 -5.519 -6.359 -5.697
89 1HB ALA 52 2HB ALA 52 -2.857 -5.988 -5.550
90 2HB ALA 52 1HB ALA 52 -3.086 -6.528 -3.890
91 3HB ALA 52 3HB ALA 52 -3.551 -7.571 -5.229
92 H PHE 53 H PHE 53 -6.917 -7.479 -4.406
93 HA PHE 53 HA PHE 53 -6.589 -7.292 -1.471
94 1HB PHE 53 2HB PHE 53 -8.854 -6.043 -3.032
95 2HB PHE 53 1HB PHE 53 -9.053 -6.427 -1.341
96 HD1 PHE 53 HD1 PHE 53 -6.854 -5.629 0.104
97 HD2 PHE 53 HD2 PHE 53 -8.163 -3.866 -3.553
98 HE1 PHE 53 HE1 PHE 53 -5.459 -3.666 0.544
99 HE2 PHE 53 HE2 PHE 53 -6.763 -1.904 -3.094
100 HZ PHE 53 HZ PHE 53 -5.402 -1.826 -1.060
101 H VAL 54 H VAL 54 -8.722 -8.184 -0.427
102 HA VAL 54 HA VAL 54 -9.621 -10.635 -1.892
103 HB VAL 54 HB VAL 54 -8.904 -10.656 1.080
104 1HG1 VAL 54 2HG1 VAL 54 -10.273 -12.488 -0.047
105 2HG1 VAL 54 1HG1 VAL 54 -8.839 -12.864 -0.994
106 3HG1 VAL 54 3HG1 VAL 54 -8.807 -13.040 0.757
107 1HG2 VAL 54 3HG2 VAL 54 -7.067 -10.997 -1.300
108 2HG2 VAL 54 2HG2 VAL 54 -6.828 -9.989 0.121
109 3HG2 VAL 54 1HG2 VAL 54 -6.708 -11.740 0.254
110 H ARG 55 H ARG 55 -10.016 -8.757 1.113
111 HA ARG 55 HA ARG 55 -12.861 -9.508 1.286
112 1HB ARG 55 2HB ARG 55 -10.816 -8.101 3.001
113 2HB ARG 55 1HB ARG 55 -12.465 -7.527 3.222
114 1HG ARG 55 2HG ARG 55 -11.878 -10.499 3.230
115 2HG ARG 55 1HG ARG 55 -11.602 -9.544 4.680
116 1HD ARG 55 2HD ARG 55 -13.982 -8.715 4.520
117 2HD ARG 55 1HD ARG 55 -14.230 -9.834 3.177
118 HE ARG 55 HE ARG 55 -13.325 -11.551 5.060
119 1HH1 ARG 55 HH1 ARG 55 -16.059 -9.657 4.604
120 2HH1 ARG 55 HH1 ARG 55 -16.784 -10.002 6.139
121 1HH2 ARG 55 HH2 ARG 55 -13.960 -11.714 7.316
122 2HH2 ARG 55 HH2 ARG 55 -15.565 -11.197 7.714
123 H ASN 56 H ASN 56 -14.577 -8.159 0.909
124 HA ASN 56 HA ASN 56 -14.246 -6.111 -1.048
125 1HB ASN 56 2HB ASN 56 -16.378 -7.475 -0.494
126 2HB ASN 56 1HB ASN 56 -16.608 -6.380 0.866
127 1HD2 ASN 56 HD2 ASN 56 -18.496 -4.944 -1.990
128 2HD2 ASN 56 HD2 ASN 56 -18.590 -6.349 -1.043
129 H HIS 57 H HIS 57 -15.173 -5.850 2.369
130 HA HIS 57 HA HIS 57 -15.264 -3.094 2.625
131 1HB HIS 57 2HB HIS 57 -15.731 -4.204 4.660
132 2HB HIS 57 1HB HIS 57 -14.443 -5.378 4.437
133 HD1 HIS 57 HD1 HIS 57 -12.243 -4.727 5.426
134 HD2 HIS 57 HD2 HIS 57 -14.902 -1.691 5.789
135 HE1 HIS 57 HE1 HIS 57 -11.164 -3.149 6.899
136 H ASP 58 H ASP 58 -12.504 -5.015 1.866
137 HA ASP 58 HA ASP 58 -10.512 -3.156 2.782
138 1HB ASP 58 2HB ASP 58 -10.271 -5.663 1.922
139 2HB ASP 58 1HB ASP 58 -10.141 -4.929 0.326
140 H LEU 59 H LEU 59 -11.621 -3.826 -0.561
141 HA LEU 59 HA LEU 59 -10.425 -1.583 -1.774
142 1HB LEU 59 2HB LEU 59 -11.569 -3.323 -3.113
143 2HB LEU 59 1HB LEU 59 -13.115 -2.955 -2.358
144 HG LEU 59 HG LEU 59 -13.159 -0.780 -3.393
145 1HD1 LEU 59 HD1 LEU 59 -10.319 -1.447 -4.168
146 2HD1 LEU 59 HD1 LEU 59 -11.229 -0.261 -5.099
147 3HD1 LEU 59 HD1 LEU 59 -10.910 0.015 -3.399
148 1HD2 LEU 59 HD2 LEU 59 -13.755 -2.848 -4.746
149 2HD2 LEU 59 HD2 LEU 59 -13.484 -1.362 -5.640
150 3HD2 LEU 59 HD2 LEU 59 -12.224 -2.585 -5.578
151 H ILE 60 H ILE 60 -13.309 -1.792 0.228
152 HA ILE 60 HA ILE 60 -14.247 0.864 -0.419
153 HB ILE 60 HB ILE 60 -14.794 -0.758 2.113
154 1HG1 ILE 60 2HG1 ILE 60 -16.097 -0.855 -0.635
155 2HG1 ILE 60 1HG1 ILE 60 -15.289 -2.168 0.203
156 1HG2 ILE 60 2HG2 ILE 60 -15.523 1.730 1.931
157 2HG2 ILE 60 1HG2 ILE 60 -16.569 1.239 0.604
158 3HG2 ILE 60 3HG2 ILE 60 -16.836 0.598 2.222
159 1HD1 ILE 60 HD1 ILE 60 -17.082 -1.731 2.085
160 2HD1 ILE 60 HD1 ILE 60 -17.969 -0.925 0.794
161 3HD1 ILE 60 HD1 ILE 60 -17.553 -2.629 0.646
162 H ARG 61 H ARG 61 -12.743 -0.412 2.541
163 HA ARG 61 HA ARG 61 -12.286 2.234 3.592
164 1HB ARG 61 2HB ARG 61 -12.358 0.238 5.070
165 2HB ARG 61 1HB ARG 61 -10.958 -0.448 4.250
166 1HG ARG 61 2HG ARG 61 -9.482 1.180 5.133
167 2HG ARG 61 1HG ARG 61 -10.786 2.301 5.506
168 1HD ARG 61 2HD ARG 61 -9.964 1.258 7.577
169 2HD ARG 61 1HD ARG 61 -11.612 0.727 7.255
170 HE ARG 61 HE ARG 61 -10.712 -1.440 7.239
171 1HH1 ARG 61 HH1 ARG 61 -9.677 -1.831 4.754
172 2HH1 ARG 61 HH1 ARG 61 -7.951 -1.834 4.899
173 1HH2 ARG 61 HH2 ARG 61 -8.011 -0.253 8.027
174 2HH2 ARG 61 HH2 ARG 61 -6.983 -0.916 6.801
175 H HIS 62 H HIS 62 -10.781 0.390 1.201
176 HA HIS 62 HA HIS 62 -8.111 1.521 1.525
177 1HB HIS 62 2HB HIS 62 -8.240 -0.647 0.468
178 2HB HIS 62 1HB HIS 62 -9.526 -0.107 -0.571
179 HD1 HIS 62 HD1 HIS 62 -5.992 -0.295 -0.509
180 HD2 HIS 62 HD2 HIS 62 -8.756 1.660 -2.670
181 HE1 HIS 62 HE1 HIS 62 -4.790 0.554 -2.457
182 H LYS 63 H LYS 63 -10.848 1.981 -0.729
183 HA LYS 63 HA LYS 63 -9.640 4.005 -2.309
184 1HB LYS 63 2HB LYS 63 -11.792 2.873 -2.893
185 2HB LYS 63 1HB LYS 63 -12.584 3.633 -1.518
186 1HG LYS 63 2HG LYS 63 -11.203 5.553 -3.365
187 2HG LYS 63 1HG LYS 63 -12.557 4.698 -4.092
188 1HD LYS 63 2HD LYS 63 -14.049 5.440 -2.288
189 2HD LYS 63 1HD LYS 63 -12.707 6.222 -1.464
190 1HE LYS 63 2HE LYS 63 -13.812 7.961 -2.675
191 2HE LYS 63 1HE LYS 63 -12.365 7.586 -3.603
192 1HZ LYS 63 3HZ LYS 63 -14.008 5.913 -4.749
193 2HZ LYS 63 2HZ LYS 63 -15.164 7.039 -4.222
194 3HZ LYS 63 1HZ LYS 63 -13.900 7.534 -5.243
195 H LYS 64 H LYS 64 -11.579 4.253 0.655
196 HA LYS 64 HA LYS 64 -11.710 7.070 0.792
197 1HB LYS 64 2HB LYS 64 -11.356 5.101 3.110
198 2HB LYS 64 1HB LYS 64 -12.013 6.724 3.243
199 1HG LYS 64 2HG LYS 64 -13.244 4.611 1.441
200 2HG LYS 64 1HG LYS 64 -13.734 4.817 3.117
201 1HD LYS 64 2HD LYS 64 -14.123 7.312 2.507
202 2HD LYS 64 1HD LYS 64 -14.017 6.788 0.831
203 1HE LYS 64 2HE LYS 64 -15.830 5.143 1.241
204 2HE LYS 64 1HE LYS 64 -15.949 5.702 2.905
205 1HZ LYS 64 3HZ LYS 64 -16.116 7.979 1.425
206 2HZ LYS 64 2HZ LYS 64 -17.014 6.853 0.524
207 3HZ LYS 64 1HZ LYS 64 -17.413 7.156 2.148
208 H SER 65 H SER 65 -9.017 4.980 1.118
209 HA SER 65 HA SER 65 -7.401 6.701 2.792
210 1HB SER 65 2HB SER 65 -5.601 5.161 2.248
211 2HB SER 65 1HB SER 65 -7.055 4.147 2.162
212 HG SER 65 HG SER 65 -5.364 4.689 0.214
213 H HIS 66 H HIS 66 -8.147 6.580 -0.600
214 HA HIS 66 HA HIS 66 -5.910 8.242 -1.427
215 1HB HIS 66 2HB HIS 66 -8.552 7.436 -2.741
216 2HB HIS 66 1HB HIS 66 -7.375 8.469 -3.552
217 HD1 HIS 66 HD1 HIS 66 -4.868 7.111 -2.882
218 HD2 HIS 66 HD2 HIS 66 -8.141 4.929 -3.837
219 HE1 HIS 66 HE1 HIS 66 -4.019 4.949 -3.547
220 H GLN 67 H GLN 67 -7.781 9.125 0.761
221 HA GLN 67 HA GLN 67 -8.265 11.883 -0.312
222 1HB GLN 67 2HB GLN 67 -10.122 10.373 1.603
223 2HB GLN 67 1HB GLN 67 -10.411 11.957 0.894
224 1HG GLN 67 2HG GLN 67 -10.125 9.383 -0.697
225 2HG GLN 67 1HG GLN 67 -11.660 10.147 -0.293
226 1HE2 GLN 67 2HE2 GLN 67 -10.892 13.055 -2.400
227 2HE2 GLN 67 1HE2 GLN 67 -11.433 12.748 -0.822
228 H GLU 68 H GLU 68 -6.392 10.235 1.593
229 HA GLU 68 HA GLU 68 -5.163 10.707 3.522
230 1HB GLU 68 2HB GLU 68 -5.167 12.996 2.237
231 2HB GLU 68 1HB GLU 68 -6.376 13.505 3.411
232 1HG GLU 68 2HG GLU 68 -4.830 12.991 5.257
233 2HG GLU 68 1HG GLU 68 -3.626 12.414 4.108
234 H LYS 69 H LYS 69 -5.696 9.964 5.450
235 HA LYS 69 HA LYS 69 -7.763 11.258 7.058
236 1HB LYS 69 2HB LYS 69 -9.193 9.235 7.255
237 2HB LYS 69 1HB LYS 69 -9.084 9.711 5.564
238 1HG LYS 69 2HG LYS 69 -7.125 8.072 5.369
239 2HG LYS 69 1HG LYS 69 -7.593 7.471 6.956
240 1HD LYS 69 2HD LYS 69 -9.960 7.189 5.968
241 2HD LYS 69 1HD LYS 69 -9.208 7.424 4.394
242 1HE LYS 69 2HE LYS 69 -7.669 5.533 4.854
243 2HE LYS 69 1HE LYS 69 -8.433 5.294 6.420
244 1HZ LYS 69 1HZ LYS 69 -10.556 4.960 5.197
245 2HZ LYS 69 3HZ LYS 69 -9.669 4.967 3.748
246 3HZ LYS 69 2HZ LYS 69 -9.384 3.764 4.912
247 H ALA 70 H ALA 70 -8.234 9.072 8.792
248 HA ALA 70 HA ALA 70 -6.009 9.276 10.531
249 1HB ALA 70 3HB ALA 70 -8.410 8.478 11.066
250 2HB ALA 70 2HB ALA 70 -7.940 6.909 10.417
251 3HB ALA 70 1HB ALA 70 -7.127 7.554 11.839
No H/Q in entry = 251
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