Below, everything WHAT IF has so far read in will be listed.
First the molecules are counted per molecule type. Thereafter
the contents of every molecule will be listed. Attached groups
that consist of protons only are skipped.
Protein .................... : 1
Drug, ligand or co-factor .. : 0
DNA or RNA ................. : 0
Single atom entity ......... : 3 (Cl, Na, OXT)
(Groups of) water .......... : 1
Drug with known topology ... : 0
Sugar or sugar-like ........ : 0
Group of only protons ...... : 0
Molecule Range Type Set name
1 1 ( 1) 129 ( 129) Protein y
2 130 ( 130) 130 ( 130) CL y
3 131 ( 131) 131 ( 131) NA y
4 132 ( O2 ) 132 ( O2 ) L O2 <- y (That is the C-0terminal OXT)
5 133 ( HOH ) 133 ( HOH ) water ( 142) y
1- 10 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA
11- 20 ALA MET LYS ARG HIS GLY LEU ASP ASN TYR
21- 30 ARG GLY TYR SER LEU GLY ASN TRP VAL CYS
31- 40 ALA ALA LYS PHE GLU SER ASN PHE ASN THR
41- 50 GLN ALA THR ASN ARG ASN THR ASP GLY SER
51- 60 THR ASP TYR GLY ILE LEU GLN ILE ASN SER
61- 70 ARG TRP TRP CYS ASN ASP GLY ARG THR PRO
71- 80 GLY SER ARG ASN LEU CYS ASN ILE PRO CYS
81- 90 SER ALA LEU LEU SER SER ASP ILE THR ALA
91- 100 SER VAL ASN CYS ALA LYS LYS ILE VAL SER
101- 110 ASP GLY ASN GLY MET ASN ALA TRP VAL ALA
111- 120 TRP ARG ASN ARG CYS LYS GLY THR ASP VAL
121- 129 GLN ALA TRP ILE ARG GLY CYS ARG LEU
In deze struktuur zijn de alternatieve strukturen voor Lys-1 verkeerd
om weergegeven in de PDB file. WHAT IF neemt automatisch de B-keten
omdat deze de hogere occupancy heeft.
In the table below the contact partners are given. D = distance. H-ene is relative hydrogen bond
quality; 1.0 is perfect hydrogen bond; 0.1 is very weak hydrogen bond; -- means either not
a hydrogen bond, or too weak to seriously take into account as a hydrogen bond.
The Sym number refers to the table of symmetry matrices at the end.
Contacts are mentioned if the distance between their Van der Waals radii is less
than 0.5 Angstrom. In the last column W=Water; B=backbone; S=Side chain.
I am not sure if the contacts with the second C-terminal oxygen are dealt with
correctly. If that becomes important, tell me and I look at that.
Symmetry loaded with distance: 0.500 1 1 LYS ( 1 ) CA <> 133 HOH (HOH ) 210 D= 3.58 H-ene= -- Sym= 4 (B-W) 2 2 VAL ( 2 ) CG2 <> 133 HOH (HOH ) 212 D= 3.48 H-ene= -- Sym= 4 (S-W) 3 7 GLU ( 7 ) CG <> 14 ARG ( 14 ) NH1 D= 3.67 H-ene= -- Sym= 3 (S-S) 4 10 ALA ( 10 ) CB <> 14 ARG ( 14 ) CG D= 3.50 H-ene= -- Sym= 3 (S-S) 5 10 ALA ( 10 ) CB <> 14 ARG ( 14 ) CD D= 3.83 H-ene= -- Sym= 3 (S-S) 6 13 LYS ( 13 ) O <> 128 ARG ( 128 ) CD D= 3.49 H-ene= -- Sym= 3 (B-S) 7 13 LYS ( 13 ) O <> 128 ARG ( 128 ) NE D= 3.45 H-ene= -- Sym= 3 (B-S) 8 13 LYS ( 13 ) NZ <> 129 LEU ( 129 ) C D= 2.79 H-ene= -- Sym= 3 (S-B) 9 13 LYS ( 13 ) NZ <> 129 LEU ( 129 ) O D= 2.59 H-ene= 0.35 Sym= 3 (S-B) 10 13 LYS ( 13 ) NZ <> 132 LEU ( OXT ) O2 D= 2.48 H-ene= -- Sym= 3 (S-B) 11 13 LYS ( 13 ) C <> 133 HOH (HOH ) 260 D= 3.16 H-ene= -- Sym= 3 (B-W) 12 13 LYS ( 13 ) O <> 133 HOH (HOH ) 260 D= 3.28 H-ene= -- Sym= 3 (B-W) 13 13 LYS ( 13 ) CB <> 133 HOH (HOH ) 260 D= 3.67 H-ene= -- Sym= 3 (S-W) 14 13 LYS ( 13 ) CG <> 133 HOH (HOH ) 260 D= 3.11 H-ene= -- Sym= 3 (S-W) 15 14 ARG ( 14 ) NH1 <> 7 GLU ( 7 ) CG D= 3.67 H-ene= -- Sym= 3 (S-S) 16 14 ARG ( 14 ) CG <> 10 ALA ( 10 ) CB D= 3.50 H-ene= -- Sym= 3 (S-S) 17 14 ARG ( 14 ) CD <> 10 ALA ( 10 ) CB D= 3.83 H-ene= -- Sym= 3 (S-S) 18 14 ARG ( 14 ) C <> 128 ARG ( 128 ) NE D= 3.81 H-ene= -- Sym= 3 (B-S) 19 14 ARG ( 14 ) O <> 128 ARG ( 128 ) NE D= 3.17 H-ene= 0.50 Sym= 3 (B-S) 20 14 ARG ( 14 ) O <> 128 ARG ( 128 ) CZ D= 3.60 H-ene= -- Sym= 3 (B-S) 21 14 ARG ( 14 ) O <> 128 ARG ( 128 ) NH2 D= 3.14 H-ene= 0.56 Sym= 3 (B-S) 22 14 ARG ( 14 ) N <> 133 HOH (HOH ) 260 D= 3.12 H-ene= -- Sym= 3 (B-W) 23 14 ARG ( 14 ) CA <> 133 HOH (HOH ) 260 D= 3.18 H-ene= -- Sym= 3 (B-W) 24 14 ARG ( 14 ) CG <> 133 HOH (HOH ) 182 D= 3.58 H-ene= -- Sym= 3 (S-W) 25 14 ARG ( 14 ) NE <> 133 HOH (HOH ) 156 D= 3.43 H-ene= -- Sym= 3 (S-W) 26 14 ARG ( 14 ) CZ <> 133 HOH (HOH ) 156 D= 3.49 H-ene= -- Sym= 3 (S-W) 27 15 HIS ( 15 ) C <> 128 ARG ( 128 ) NH2 D= 3.71 H-ene= -- Sym= 3 (B-S) 28 16 GLY ( 16 ) N <> 128 ARG ( 128 ) NE D= 3.29 H-ene= -- Sym= 3 (B-S) 29 16 GLY ( 16 ) N <> 128 ARG ( 128 ) CZ D= 3.54 H-ene= -- Sym= 3 (B-S) 30 16 GLY ( 16 ) N <> 128 ARG ( 128 ) NH2 D= 3.58 H-ene= -- Sym= 3 (B-S) 31 16 GLY ( 16 ) CA <> 128 ARG ( 128 ) CD D= 3.81 H-ene= -- Sym= 3 (B-S) 32 16 GLY ( 16 ) CA <> 128 ARG ( 128 ) NE D= 3.38 H-ene= -- Sym= 3 (B-S) 33 16 GLY ( 16 ) CA <> 128 ARG ( 128 ) CZ D= 3.47 H-ene= -- Sym= 3 (B-S) 34 16 GLY ( 16 ) CA <> 128 ARG ( 128 ) NH1 D= 3.90 H-ene= -- Sym= 3 (B-S) 35 16 GLY ( 16 ) CA <> 128 ARG ( 128 ) NH2 D= 3.87 H-ene= -- Sym= 3 (B-S) 36 21 ARG ( 21 ) CZ <> 133 HOH (HOH ) 193 D= 3.48 H-ene= -- Sym= 8 (S-W) 37 21 ARG ( 21 ) NH1 <> 133 HOH (HOH ) 193 D= 3.16 H-ene= 0.36 Sym= 8 (S-W) 38 21 ARG ( 21 ) NH2 <> 133 HOH (HOH ) 193 D= 3.25 H-ene= 0.30 Sym= 8 (S-W) 39 22 GLY ( 22 ) C <> 114 ARG ( 114 ) NH1 D= 3.50 H-ene= -- Sym= 8 (B-S) 40 22 GLY ( 22 ) O <> 114 ARG ( 114 ) NH1 D= 2.78 H-ene= 0.55 Sym= 8 (B-S) 41 22 GLY ( 22 ) O <> 133 HOH (HOH ) 147 D= 2.91 H-ene= 0.88 Sym= 8 (B-W) 42 23 TYR ( 23 ) CA <> 114 ARG ( 114 ) NH1 D= 3.99 H-ene= -- Sym= 8 (B-S) 43 23 TYR ( 23 ) CG <> 114 ARG ( 114 ) NH1 D= 3.94 H-ene= -- Sym= 8 (S-S) 44 23 TYR ( 23 ) CD1 <> 114 ARG ( 114 ) NE D= 3.94 H-ene= -- Sym= 8 (S-S) 45 23 TYR ( 23 ) CD1 <> 114 ARG ( 114 ) CZ D= 3.53 H-ene= -- Sym= 8 (S-S) 46 23 TYR ( 23 ) CD1 <> 114 ARG ( 114 ) NH1 D= 3.57 H-ene= -- Sym= 8 (S-S) 47 23 TYR ( 23 ) CD1 <> 114 ARG ( 114 ) NH2 D= 3.81 H-ene= -- Sym= 8 (S-S) 48 23 TYR ( 23 ) CE1 <> 114 ARG ( 114 ) CD D= 3.62 H-ene= -- Sym= 8 (S-S) 49 23 TYR ( 23 ) CE1 <> 114 ARG ( 114 ) NE D= 3.46 H-ene= -- Sym= 8 (S-S) 50 23 TYR ( 23 ) CE1 <> 114 ARG ( 114 ) CZ D= 3.54 H-ene= -- Sym= 8 (S-S) 51 23 TYR ( 23 ) CE1 <> 114 ARG ( 114 ) NH1 D= 3.72 H-ene= -- Sym= 8 (S-S) 52 23 TYR ( 23 ) CZ <> 114 ARG ( 114 ) CD D= 3.79 H-ene= -- Sym= 8 (S-S) 53 23 TYR ( 23 ) CA <> 133 HOH (HOH ) 147 D= 3.65 H-ene= -- Sym= 8 (B-W) 54 24 SER ( 24 ) N <> 133 HOH (HOH ) 147 D= 2.96 H-ene= 0.83 Sym= 8 (B-W) 55 24 SER ( 24 ) CB <> 133 HOH (HOH ) 147 D= 3.63 H-ene= -- Sym= 8 (S-W) 56 27 ASN ( 27 ) ND2 <> 114 ARG ( 114 ) NH2 D= 3.67 H-ene= -- Sym= 8 (S-S) 57 27 ASN ( 27 ) ND2 <> 133 HOH (HOH ) 147 D= 3.41 H-ene= -- Sym= 8 (S-W) 58 34 PHE ( 34 ) C <> 133 HOH (HOH ) 170 D= 3.48 H-ene= -- Sym= 6 (B-W) 59 34 PHE ( 34 ) O <> 133 HOH (HOH ) 170 D= 2.87 H-ene= 0.68 Sym= 6 (B-W) 60 39 ASN ( 39 ) CG <> 66 ASP ( 66 ) O D= 3.55 H-ene= -- Sym= 4 (S-B) 61 39 ASN ( 39 ) ND2 <> 66 ASP ( 66 ) C D= 3.86 H-ene= -- Sym= 4 (S-B) 62 39 ASN ( 39 ) ND2 <> 66 ASP ( 66 ) O D= 2.75 H-ene= 0.79 Sym= 4 (S-B) 63 39 ASN ( 39 ) ND2 <> 67 GLY ( 67 ) CA D= 3.86 H-ene= -- Sym= 4 (S-B) 64 39 ASN ( 39 ) ND2 <> 67 GLY ( 67 ) C D= 3.60 H-ene= -- Sym= 4 (S-B) 65 39 ASN ( 39 ) ND2 <> 68 ARG ( 68 ) CB D= 3.90 H-ene= -- Sym= 4 (S-S) 66 41 GLN ( 41 ) CD <> 65 ASN ( 65 ) O D= 3.62 H-ene= -- Sym= 4 (S-B) 67 41 GLN ( 41 ) NE2 <> 65 ASN ( 65 ) C D= 3.89 H-ene= -- Sym= 4 (S-B) 68 41 GLN ( 41 ) NE2 <> 65 ASN ( 65 ) O D= 2.97 H-ene= 0.51 Sym= 4 (S-B) 69 41 GLN ( 41 ) CD <> 66 ASP ( 66 ) CA D= 3.91 H-ene= -- Sym= 4 (S-B) 70 41 GLN ( 41 ) NE2 <> 66 ASP ( 66 ) CA D= 3.57 H-ene= -- Sym= 4 (S-B) 71 41 GLN ( 41 ) NE2 <> 66 ASP ( 66 ) C D= 3.90 H-ene= -- Sym= 4 (S-B) 72 41 GLN ( 41 ) CD <> 79 PRO ( 79 ) CB D= 4.03 H-ene= -- Sym= 4 (S-S) 73 41 GLN ( 41 ) NE2 <> 79 PRO ( 79 ) CB D= 3.76 H-ene= -- Sym= 4 (S-S) 74 41 GLN ( 41 ) OE1 <> 80 CYS ( 80 ) N D= 3.16 H-ene= 0.16 Sym= 4 (S-B) 75 41 GLN ( 41 ) OE1 <> 80 CYS ( 80 ) C D= 3.66 H-ene= -- Sym= 4 (S-B) 76 41 GLN ( 41 ) CD <> 81 SER ( 81 ) N D= 3.97 H-ene= -- Sym= 4 (S-B) 77 41 GLN ( 41 ) CD <> 81 SER ( 81 ) CB D= 4.09 H-ene= -- Sym= 4 (S-S) 78 41 GLN ( 41 ) OE1 <> 81 SER ( 81 ) N D= 2.79 H-ene= 0.53 Sym= 4 (S-B) 79 41 GLN ( 41 ) OE1 <> 81 SER ( 81 ) CA D= 3.62 H-ene= -- Sym= 4 (S-B) 80 41 GLN ( 41 ) OE1 <> 81 SER ( 81 ) CB D= 3.37 H-ene= -- Sym= 4 (S-S) 81 41 GLN ( 41 ) CG <> 133 HOH (HOH ) 186 D= 3.42 H-ene= -- Sym= 4 (S-W) 82 41 GLN ( 41 ) CD <> 133 HOH (HOH ) 186 D= 3.60 H-ene= -- Sym= 4 (S-W) 83 42 ALA ( 42 ) CA <> 68 ARG ( 68 ) NH1 D= 3.96 H-ene= -- Sym= 4 (B-S) 84 42 ALA ( 42 ) CB <> 133 HOH (HOH ) 165 D= 3.65 H-ene= -- Sym= 4 (S-W) 85 43 THR ( 43 ) N <> 68 ARG ( 68 ) CZ D= 3.90 H-ene= -- Sym= 4 (B-S) 86 43 THR ( 43 ) N <> 68 ARG ( 68 ) NH1 D= 3.29 H-ene= -- Sym= 4 (B-S) 87 43 THR ( 43 ) C <> 68 ARG ( 68 ) NH1 D= 3.68 H-ene= -- Sym= 4 (B-S) 88 43 THR ( 43 ) C <> 68 ARG ( 68 ) NH2 D= 4.00 H-ene= -- Sym= 4 (B-S) 89 43 THR ( 43 ) O <> 68 ARG ( 68 ) CZ D= 3.25 H-ene= -- Sym= 4 (B-S) 90 43 THR ( 43 ) O <> 68 ARG ( 68 ) NH1 D= 2.68 H-ene= 0.57 Sym= 4 (B-S) 91 43 THR ( 43 ) O <> 68 ARG ( 68 ) NH2 D= 3.00 H-ene= 0.47 Sym= 4 (B-S) 92 43 THR ( 43 ) OG1 <> 68 ARG ( 68 ) NH2 D= 3.32 H-ene= 0.25 Sym= 4 (S-S) 93 43 THR ( 43 ) CB <> 133 HOH (HOH ) 273 D= 3.32 H-ene= -- Sym= 4 (S-W) 94 43 THR ( 43 ) OG1 <> 133 HOH (HOH ) 273 D= 2.78 H-ene= -- Sym= 4 (S-W) 95 44 ASN ( 44 ) ND2 <> 133 HOH (HOH ) 271 D= 2.96 H-ene= 0.41 Sym= 4 (S-W) 96 47 THR ( 47 ) OG1 <> 126 GLY ( 126 ) O D= 2.75 H-ene= 0.55 Sym= 2 (S-B) 97 47 THR ( 47 ) O <> 128 ARG ( 128 ) CB D= 3.67 H-ene= -- Sym= 2 (B-S) 98 47 THR ( 47 ) O <> 128 ARG ( 128 ) NH1 D= 3.53 H-ene= -- Sym= 2 (B-S) 99 47 THR ( 47 ) O <> 133 HOH (HOH ) 248 D= 3.08 H-ene= 0.69 Sym= 2 (B-W) 100 48 ASP ( 48 ) CA <> 127 CYS ( 127 ) O D= 3.67 H-ene= -- Sym= 2 (B-B) 101 48 ASP ( 48 ) CB <> 127 CYS ( 127 ) C D= 4.06 H-ene= -- Sym= 2 (S-B) 102 48 ASP ( 48 ) CB <> 127 CYS ( 127 ) O D= 3.24 H-ene= -- Sym= 2 (S-B) 103 48 ASP ( 48 ) O <> 133 HOH (HOH ) 213 D= 3.14 H-ene= 0.81 Sym= 2 (B-W) 104 53 TYR ( 53 ) CZ <> 133 HOH (HOH ) 134 D= 3.67 H-ene= -- Sym= 4 (S-W) 105 53 TYR ( 53 ) OH <> 133 HOH (HOH ) 134 D= 2.71 H-ene= 0.96 Sym= 4 (S-W) 106 62 TRP ( 62 ) CZ2 <> 121 GLN ( 121 ) CD D= 3.51 H-ene= -- Sym= 2 (S-S) 107 62 TRP ( 62 ) CZ2 <> 121 GLN ( 121 ) OE1 D= 3.49 H-ene= -- Sym= 2 (S-S) 108 62 TRP ( 62 ) CZ2 <> 121 GLN ( 121 ) NE2 D= 3.66 H-ene= -- Sym= 2 (S-S) 109 62 TRP ( 62 ) CH2 <> 121 GLN ( 121 ) CG D= 3.89 H-ene= -- Sym= 2 (S-S) 110 62 TRP ( 62 ) CH2 <> 121 GLN ( 121 ) CD D= 3.74 H-ene= -- Sym= 2 (S-S) 111 65 ASN ( 65 ) C <> 41 GLN ( 41 ) NE2 D= 3.89 H-ene= -- Sym= 4 (B-S) 112 65 ASN ( 65 ) O <> 41 GLN ( 41 ) CD D= 3.62 H-ene= -- Sym= 4 (B-S) 113 65 ASN ( 65 ) O <> 41 GLN ( 41 ) NE2 D= 2.97 H-ene= 0.51 Sym= 4 (B-S) 114 66 ASP ( 66 ) C <> 39 ASN ( 39 ) ND2 D= 3.86 H-ene= -- Sym= 4 (B-S) 115 66 ASP ( 66 ) O <> 39 ASN ( 39 ) CG D= 3.55 H-ene= -- Sym= 4 (B-S) 116 66 ASP ( 66 ) O <> 39 ASN ( 39 ) ND2 D= 2.75 H-ene= 0.79 Sym= 4 (B-S) 117 66 ASP ( 66 ) CA <> 41 GLN ( 41 ) CD D= 3.91 H-ene= -- Sym= 4 (B-S) 118 66 ASP ( 66 ) CA <> 41 GLN ( 41 ) NE2 D= 3.57 H-ene= -- Sym= 4 (B-S) 119 66 ASP ( 66 ) C <> 41 GLN ( 41 ) NE2 D= 3.90 H-ene= -- Sym= 4 (B-S) 120 67 GLY ( 67 ) CA <> 39 ASN ( 39 ) ND2 D= 3.86 H-ene= -- Sym= 4 (B-S) 121 67 GLY ( 67 ) C <> 39 ASN ( 39 ) ND2 D= 3.60 H-ene= -- Sym= 4 (B-S) 122 68 ARG ( 68 ) CB <> 39 ASN ( 39 ) ND2 D= 3.90 H-ene= -- Sym= 4 (S-S) 123 68 ARG ( 68 ) NH1 <> 42 ALA ( 42 ) CA D= 3.96 H-ene= -- Sym= 4 (S-B) 124 68 ARG ( 68 ) CZ <> 43 THR ( 43 ) N D= 3.90 H-ene= -- Sym= 4 (S-B) 125 68 ARG ( 68 ) CZ <> 43 THR ( 43 ) O D= 3.25 H-ene= -- Sym= 4 (S-B) 126 68 ARG ( 68 ) NH1 <> 43 THR ( 43 ) N D= 3.29 H-ene= -- Sym= 4 (S-B) 127 68 ARG ( 68 ) NH1 <> 43 THR ( 43 ) C D= 3.68 H-ene= -- Sym= 4 (S-B) 128 68 ARG ( 68 ) NH1 <> 43 THR ( 43 ) O D= 2.68 H-ene= 0.57 Sym= 4 (S-B) 129 68 ARG ( 68 ) NH2 <> 43 THR ( 43 ) C D= 4.00 H-ene= -- Sym= 4 (S-B) 130 68 ARG ( 68 ) NH2 <> 43 THR ( 43 ) O D= 3.00 H-ene= 0.47 Sym= 4 (S-B) 131 68 ARG ( 68 ) NH2 <> 43 THR ( 43 ) OG1 D= 3.32 H-ene= 0.25 Sym= 4 (S-S) 132 68 ARG ( 68 ) CZ <> 133 HOH (HOH ) 134 D= 3.32 H-ene= -- Sym= 4 (S-W) 133 68 ARG ( 68 ) NH2 <> 133 HOH (HOH ) 134 D= 3.18 H-ene= -- Sym= 4 (S-W) 134 70 PRO ( 70 ) CB <> 71 GLY ( 71 ) CA D= 3.98 H-ene= -- Sym= 5 (S-B) 135 71 GLY ( 71 ) CA <> 70 PRO ( 70 ) CB D= 3.98 H-ene= -- Sym= 5 (B-S) 136 71 GLY ( 71 ) N <> 71 GLY ( 71 ) N D= 3.88 H-ene= -- Sym= 5 (B-B) 137 71 GLY ( 71 ) N <> 133 HOH (HOH ) 272 D= 2.95 H-ene= -- Sym= 5 (B-W) 138 71 GLY ( 71 ) CA <> 133 HOH (HOH ) 272 D= 3.69 H-ene= -- Sym= 5 (B-W) 139 79 PRO ( 79 ) CB <> 41 GLN ( 41 ) CD D= 4.03 H-ene= -- Sym= 4 (S-S) 140 79 PRO ( 79 ) CB <> 41 GLN ( 41 ) NE2 D= 3.76 H-ene= -- Sym= 4 (S-S) 141 80 CYS ( 80 ) N <> 41 GLN ( 41 ) OE1 D= 3.16 H-ene= 0.16 Sym= 4 (B-S) 142 80 CYS ( 80 ) C <> 41 GLN ( 41 ) OE1 D= 3.66 H-ene= -- Sym= 4 (B-S) 143 81 SER ( 81 ) N <> 41 GLN ( 41 ) CD D= 3.97 H-ene= -- Sym= 4 (B-S) 144 81 SER ( 81 ) N <> 41 GLN ( 41 ) OE1 D= 2.79 H-ene= 0.53 Sym= 4 (B-S) 145 81 SER ( 81 ) CA <> 41 GLN ( 41 ) OE1 D= 3.62 H-ene= -- Sym= 4 (B-S) 146 81 SER ( 81 ) CB <> 41 GLN ( 41 ) CD D= 4.09 H-ene= -- Sym= 4 (S-S) 147 81 SER ( 81 ) CB <> 41 GLN ( 41 ) OE1 D= 3.37 H-ene= -- Sym= 4 (S-S) 148 81 SER ( 81 ) CB <> 84 LEU ( 84 ) CB D= 4.04 H-ene= -- Sym= 4 (S-S) 149 81 SER ( 81 ) CB <> 133 HOH (HOH ) 219 D= 3.54 H-ene= -- Sym= 4 (S-W) 150 84 LEU ( 84 ) CB <> 81 SER ( 81 ) CB D= 4.04 H-ene= -- Sym= 4 (S-S) 151 84 LEU ( 84 ) CD1 <> 84 LEU ( 84 ) CD1 D= 3.36 H-ene= -- Sym= 4 (S-S) 152 84 LEU ( 84 ) O <> 133 HOH (HOH ) 186 D= 2.84 H-ene= 0.76 Sym= 4 (B-W) 153 102 GLY ( 102 ) O <> 112 ARG ( 112 ) NH1 D= 3.45 H-ene= -- Sym= 8 (B-S) 154 102 GLY ( 102 ) C <> 113 ASN ( 113 ) ND2 D= 3.88 H-ene= -- Sym= 8 (B-S) 155 102 GLY ( 102 ) O <> 113 ASN ( 113 ) ND2 D= 3.10 H-ene= 0.68 Sym= 8 (B-S) 156 103 ASN ( 103 ) CA <> 113 ASN ( 113 ) CG D= 3.88 H-ene= -- Sym= 8 (B-S) 157 103 ASN ( 103 ) CA <> 113 ASN ( 113 ) OD1 D= 3.49 H-ene= -- Sym= 8 (B-S) 158 103 ASN ( 103 ) CA <> 113 ASN ( 113 ) ND2 D= 3.78 H-ene= -- Sym= 8 (B-S) 159 103 ASN ( 103 ) C <> 113 ASN ( 113 ) CG D= 3.48 H-ene= -- Sym= 8 (B-S) 160 103 ASN ( 103 ) C <> 113 ASN ( 113 ) OD1 D= 3.51 H-ene= -- Sym= 8 (B-S) 161 103 ASN ( 103 ) C <> 113 ASN ( 113 ) ND2 D= 3.38 H-ene= -- Sym= 8 (B-S) 162 103 ASN ( 103 ) O <> 113 ASN ( 113 ) CG D= 3.41 H-ene= -- Sym= 8 (B-S) 163 104 GLY ( 104 ) N <> 113 ASN ( 113 ) CG D= 3.94 H-ene= -- Sym= 8 (B-S) 164 104 GLY ( 104 ) N <> 113 ASN ( 113 ) ND2 D= 3.42 H-ene= -- Sym= 8 (B-S) 165 104 GLY ( 104 ) CA <> 113 ASN ( 113 ) ND2 D= 3.87 H-ene= -- Sym= 8 (B-S) 166 106 ASN ( 106 ) CG <> 113 ASN ( 113 ) O D= 3.69 H-ene= -- Sym= 8 (S-B) 167 106 ASN ( 106 ) ND2 <> 113 ASN ( 113 ) CA D= 3.59 H-ene= -- Sym= 8 (S-B) 168 106 ASN ( 106 ) ND2 <> 113 ASN ( 113 ) C D= 3.59 H-ene= -- Sym= 8 (S-B) 169 106 ASN ( 106 ) ND2 <> 113 ASN ( 113 ) O D= 2.82 H-ene= 0.92 Sym= 8 (S-B) 170 106 ASN ( 106 ) ND2 <> 113 ASN ( 113 ) CB D= 3.50 H-ene= -- Sym= 8 (S-S) 171 106 ASN ( 106 ) ND2 <> 113 ASN ( 113 ) CG D= 3.92 H-ene= -- Sym= 8 (S-S) 172 106 ASN ( 106 ) ND2 <> 133 HOH (HOH ) 201 D= 3.56 H-ene= -- Sym= 8 (S-W) 173 109 VAL ( 109 ) CG1 <> 130 CL ( 130 ) CL D= 3.82 H-ene= -- Sym= 6 (S-B) 174 110 ALA ( 110 ) CA <> 130 CL ( 130 ) CL D= 3.95 H-ene= -- Sym= 6 (B-B) 175 111 TRP ( 111 ) CZ2 <> 133 HOH (HOH ) 161 D= 3.67 H-ene= -- Sym= 8 (S-W) 176 112 ARG ( 112 ) NH1 <> 102 GLY ( 102 ) O D= 3.45 H-ene= -- Sym= 6 (S-B) 177 112 ARG ( 112 ) CD <> 133 HOH (HOH ) 192 D= 3.09 H-ene= -- Sym= 6 (S-W) 178 112 ARG ( 112 ) NH1 <> 133 HOH (HOH ) 192 D= 2.72 H-ene= 0.73 Sym= 6 (S-W) 179 113 ASN ( 113 ) ND2 <> 102 GLY ( 102 ) C D= 3.88 H-ene= -- Sym= 6 (S-B) 180 113 ASN ( 113 ) ND2 <> 102 GLY ( 102 ) O D= 3.10 H-ene= 0.68 Sym= 6 (S-B) 181 113 ASN ( 113 ) CG <> 103 ASN ( 103 ) CA D= 3.88 H-ene= -- Sym= 6 (S-B) 182 113 ASN ( 113 ) CG <> 103 ASN ( 103 ) C D= 3.48 H-ene= -- Sym= 6 (S-B) 183 113 ASN ( 113 ) CG <> 103 ASN ( 103 ) O D= 3.41 H-ene= -- Sym= 6 (S-B) 184 113 ASN ( 113 ) OD1 <> 103 ASN ( 103 ) CA D= 3.49 H-ene= -- Sym= 6 (S-B) 185 113 ASN ( 113 ) OD1 <> 103 ASN ( 103 ) C D= 3.51 H-ene= -- Sym= 6 (S-B) 186 113 ASN ( 113 ) ND2 <> 103 ASN ( 103 ) CA D= 3.78 H-ene= -- Sym= 6 (S-B) 187 113 ASN ( 113 ) ND2 <> 103 ASN ( 103 ) C D= 3.38 H-ene= -- Sym= 6 (S-B) 188 113 ASN ( 113 ) CG <> 104 GLY ( 104 ) N D= 3.94 H-ene= -- Sym= 6 (S-B) 189 113 ASN ( 113 ) ND2 <> 104 GLY ( 104 ) N D= 3.42 H-ene= -- Sym= 6 (S-B) 190 113 ASN ( 113 ) ND2 <> 104 GLY ( 104 ) CA D= 3.87 H-ene= -- Sym= 6 (S-B) 191 113 ASN ( 113 ) CA <> 106 ASN ( 106 ) ND2 D= 3.59 H-ene= -- Sym= 6 (B-S) 192 113 ASN ( 113 ) C <> 106 ASN ( 106 ) ND2 D= 3.59 H-ene= -- Sym= 6 (B-S) 193 113 ASN ( 113 ) O <> 106 ASN ( 106 ) CG D= 3.69 H-ene= -- Sym= 6 (B-S) 194 113 ASN ( 113 ) O <> 106 ASN ( 106 ) ND2 D= 2.82 H-ene= 0.92 Sym= 6 (B-S) 195 113 ASN ( 113 ) CB <> 106 ASN ( 106 ) ND2 D= 3.50 H-ene= -- Sym= 6 (S-S) 196 113 ASN ( 113 ) CG <> 106 ASN ( 106 ) ND2 D= 3.92 H-ene= -- Sym= 6 (S-S) 197 113 ASN ( 113 ) C <> 116 LYS ( 116 ) NZ D= 3.95 H-ene= -- Sym= 6 (B-S) 198 113 ASN ( 113 ) O <> 116 LYS ( 116 ) CE D= 3.26 H-ene= -- Sym= 6 (B-S) 199 113 ASN ( 113 ) O <> 116 LYS ( 116 ) NZ D= 2.87 H-ene= 0.47 Sym= 6 (B-S) 200 113 ASN ( 113 ) CB <> 130 CL ( 130 ) CL D= 3.56 H-ene= -- Sym= 6 (S-B) 201 113 ASN ( 113 ) CG <> 130 CL ( 130 ) CL D= 3.87 H-ene= -- Sym= 6 (S-B) 202 113 ASN ( 113 ) ND2 <> 130 CL ( 130 ) CL D= 3.19 H-ene= -- Sym= 6 (S-B) 203 113 ASN ( 113 ) CG <> 133 HOH (HOH ) 192 D= 3.59 H-ene= -- Sym= 6 (S-W) 204 113 ASN ( 113 ) OD1 <> 133 HOH (HOH ) 192 D= 2.68 H-ene= 0.78 Sym= 6 (S-W) 205 114 ARG ( 114 ) NH1 <> 22 GLY ( 22 ) C D= 3.50 H-ene= -- Sym= 6 (S-B) 206 114 ARG ( 114 ) NH1 <> 22 GLY ( 22 ) O D= 2.78 H-ene= 0.55 Sym= 6 (S-B) 207 114 ARG ( 114 ) CD <> 23 TYR ( 23 ) CE1 D= 3.62 H-ene= -- Sym= 6 (S-S) 208 114 ARG ( 114 ) CD <> 23 TYR ( 23 ) CZ D= 3.79 H-ene= -- Sym= 6 (S-S) 209 114 ARG ( 114 ) NE <> 23 TYR ( 23 ) CD1 D= 3.94 H-ene= -- Sym= 6 (S-S) 210 114 ARG ( 114 ) NE <> 23 TYR ( 23 ) CE1 D= 3.46 H-ene= -- Sym= 6 (S-S) 211 114 ARG ( 114 ) CZ <> 23 TYR ( 23 ) CD1 D= 3.53 H-ene= -- Sym= 6 (S-S) 212 114 ARG ( 114 ) CZ <> 23 TYR ( 23 ) CE1 D= 3.54 H-ene= -- Sym= 6 (S-S) 213 114 ARG ( 114 ) NH1 <> 23 TYR ( 23 ) CA D= 3.99 H-ene= -- Sym= 6 (S-B) 214 114 ARG ( 114 ) NH1 <> 23 TYR ( 23 ) CG D= 3.94 H-ene= -- Sym= 6 (S-S) 215 114 ARG ( 114 ) NH1 <> 23 TYR ( 23 ) CD1 D= 3.57 H-ene= -- Sym= 6 (S-S) 216 114 ARG ( 114 ) NH1 <> 23 TYR ( 23 ) CE1 D= 3.72 H-ene= -- Sym= 6 (S-S) 217 114 ARG ( 114 ) NH2 <> 23 TYR ( 23 ) CD1 D= 3.81 H-ene= -- Sym= 6 (S-S) 218 114 ARG ( 114 ) NH2 <> 27 ASN ( 27 ) ND2 D= 3.67 H-ene= -- Sym= 6 (S-S) 219 114 ARG ( 114 ) CA <> 116 LYS ( 116 ) CE D= 4.01 H-ene= -- Sym= 6 (B-S) 220 114 ARG ( 114 ) CD <> 133 HOH (HOH ) 141 D= 3.44 H-ene= -- Sym= 6 (S-W) 221 114 ARG ( 114 ) NH1 <> 133 HOH (HOH ) 141 D= 2.93 H-ene= 0.73 Sym= 6 (S-W) 222 114 ARG ( 114 ) NH2 <> 133 HOH (HOH ) 162 D= 3.14 H-ene= 0.19 Sym= 6 (S-W) 223 116 LYS ( 116 ) CE <> 113 ASN ( 113 ) O D= 3.26 H-ene= -- Sym= 8 (S-B) 224 116 LYS ( 116 ) NZ <> 113 ASN ( 113 ) C D= 3.95 H-ene= -- Sym= 8 (S-B) 225 116 LYS ( 116 ) NZ <> 113 ASN ( 113 ) O D= 2.87 H-ene= 0.47 Sym= 8 (S-B) 226 116 LYS ( 116 ) CE <> 114 ARG ( 114 ) CA D= 4.01 H-ene= -- Sym= 8 (S-B) 227 116 LYS ( 116 ) CE <> 133 HOH (HOH ) 136 D= 3.63 H-ene= -- Sym= 8 (S-W) 228 116 LYS ( 116 ) NZ <> 133 HOH (HOH ) 136 D= 2.90 H-ene= 0.78 Sym= 8 (S-W) 229 118 THR ( 118 ) CG2 <> 133 HOH (HOH ) 174 D= 3.58 H-ene= -- Sym= 6 (S-W) 230 121 GLN ( 121 ) CG <> 62 TRP ( 62 ) CH2 D= 3.89 H-ene= -- Sym= 7 (S-S) 231 121 GLN ( 121 ) CD <> 62 TRP ( 62 ) CZ2 D= 3.51 H-ene= -- Sym= 7 (S-S) 232 121 GLN ( 121 ) CD <> 62 TRP ( 62 ) CH2 D= 3.74 H-ene= -- Sym= 7 (S-S) 233 121 GLN ( 121 ) OE1 <> 62 TRP ( 62 ) CZ2 D= 3.49 H-ene= -- Sym= 7 (S-S) 234 121 GLN ( 121 ) NE2 <> 62 TRP ( 62 ) CZ2 D= 3.66 H-ene= -- Sym= 7 (S-S) 235 125 ARG ( 125 ) CA <> 133 HOH (HOH ) 223 D= 3.51 H-ene= -- Sym= 7 (B-W) 236 126 GLY ( 126 ) O <> 47 THR ( 47 ) OG1 D= 2.75 H-ene= 0.55 Sym= 7 (B-S) 237 126 GLY ( 126 ) N <> 133 HOH (HOH ) 223 D= 2.97 H-ene= 0.88 Sym= 7 (B-W) 238 126 GLY ( 126 ) CA <> 133 HOH (HOH ) 198 D= 3.47 H-ene= -- Sym= 7 (B-W) 239 127 CYS ( 127 ) C <> 48 ASP ( 48 ) CB D= 4.06 H-ene= -- Sym= 7 (B-S) 240 127 CYS ( 127 ) O <> 48 ASP ( 48 ) CA D= 3.67 H-ene= -- Sym= 7 (B-B) 241 127 CYS ( 127 ) O <> 48 ASP ( 48 ) CB D= 3.24 H-ene= -- Sym= 7 (B-S) 242 128 ARG ( 128 ) CD <> 13 LYS ( 13 ) O D= 3.49 H-ene= -- Sym= 3 (S-B) 243 128 ARG ( 128 ) NE <> 13 LYS ( 13 ) O D= 3.45 H-ene= -- Sym= 3 (S-B) 244 128 ARG ( 128 ) NE <> 14 ARG ( 14 ) C D= 3.81 H-ene= -- Sym= 3 (S-B) 245 128 ARG ( 128 ) NE <> 14 ARG ( 14 ) O D= 3.17 H-ene= 0.50 Sym= 3 (S-B) 246 128 ARG ( 128 ) CZ <> 14 ARG ( 14 ) O D= 3.60 H-ene= -- Sym= 3 (S-B) 247 128 ARG ( 128 ) NH2 <> 14 ARG ( 14 ) O D= 3.14 H-ene= 0.56 Sym= 3 (S-B) 248 128 ARG ( 128 ) NH2 <> 15 HIS ( 15 ) C D= 3.71 H-ene= -- Sym= 3 (S-B) 249 128 ARG ( 128 ) CD <> 16 GLY ( 16 ) CA D= 3.81 H-ene= -- Sym= 3 (S-B) 250 128 ARG ( 128 ) NE <> 16 GLY ( 16 ) N D= 3.29 H-ene= -- Sym= 3 (S-B) 251 128 ARG ( 128 ) NE <> 16 GLY ( 16 ) CA D= 3.38 H-ene= -- Sym= 3 (S-B) 252 128 ARG ( 128 ) CZ <> 16 GLY ( 16 ) N D= 3.54 H-ene= -- Sym= 3 (S-B) 253 128 ARG ( 128 ) CZ <> 16 GLY ( 16 ) CA D= 3.47 H-ene= -- Sym= 3 (S-B) 254 128 ARG ( 128 ) NH1 <> 16 GLY ( 16 ) CA D= 3.90 H-ene= -- Sym= 3 (S-B) 255 128 ARG ( 128 ) NH2 <> 16 GLY ( 16 ) N D= 3.58 H-ene= -- Sym= 3 (S-B) 256 128 ARG ( 128 ) NH2 <> 16 GLY ( 16 ) CA D= 3.87 H-ene= -- Sym= 3 (S-B) 257 128 ARG ( 128 ) N <> 133 HOH (HOH ) 255 D= 3.43 H-ene= 0.70 Sym= 3 (B-W) 258 128 ARG ( 128 ) CB <> 47 THR ( 47 ) O D= 3.67 H-ene= -- Sym= 7 (S-B) 259 128 ARG ( 128 ) NH1 <> 47 THR ( 47 ) O D= 3.53 H-ene= -- Sym= 7 (S-B) 260 129 LEU ( 129 ) C <> 13 LYS ( 13 ) NZ D= 2.79 H-ene= -- Sym= 3 (B-S) 261 129 LEU ( 129 ) O <> 13 LYS ( 13 ) NZ D= 2.59 H-ene= 0.35 Sym= 3 (B-S) 262 129 LEU ( 129 ) C <> 129 LEU ( 129 ) O D= 3.69 H-ene= -- Sym= 3 (B-B) 263 129 LEU ( 129 ) O <> 129 LEU ( 129 ) C D= 3.69 H-ene= -- Sym= 3 (B-B) 264 129 LEU ( 129 ) O <> 129 LEU ( 129 ) O D= 3.09 H-ene= -- Sym= 3 (B-B) 265 129 LEU ( 129 ) O <> 133 HOH (HOH ) 188 D= 3.25 H-ene= 0.73 Sym= 3 (B-W) 266 130 CL ( 130 ) CL <> 109 VAL ( 109 ) CG1 D= 3.82 H-ene= -- Sym= 8 (B-S) 267 130 CL ( 130 ) CL <> 110 ALA ( 110 ) CA D= 3.95 H-ene= -- Sym= 8 (B-B) 268 130 CL ( 130 ) CL <> 113 ASN ( 113 ) CB D= 3.56 H-ene= -- Sym= 8 (B-S) 269 130 CL ( 130 ) CL <> 113 ASN ( 113 ) CG D= 3.87 H-ene= -- Sym= 8 (B-S) 270 130 CL ( 130 ) CL <> 113 ASN ( 113 ) ND2 D= 3.19 H-ene= -- Sym= 8 (B-S) 271 132 LEU ( OXT ) O2 <> 13 LYS ( 13 ) NZ D= 2.48 H-ene= -- Sym= 3 (B-S) 272 133 HOH (HOH ) 223 <> 125 ARG ( 125 ) CA D= 3.51 H-ene= -- Sym= 2 (W-B) 273 133 HOH (HOH ) 198 <> 126 GLY ( 126 ) CA D= 3.47 H-ene= -- Sym= 2 (W-B) 274 133 HOH (HOH ) 223 <> 126 GLY ( 126 ) N D= 2.97 H-ene= 0.88 Sym= 2 (W-B) 275 133 HOH (HOH ) 260 <> 13 LYS ( 13 ) C D= 3.16 H-ene= -- Sym= 3 (W-B) 276 133 HOH (HOH ) 260 <> 13 LYS ( 13 ) O D= 3.28 H-ene= -- Sym= 3 (W-B) 277 133 HOH (HOH ) 260 <> 13 LYS ( 13 ) CB D= 3.67 H-ene= -- Sym= 3 (W-S) 278 133 HOH (HOH ) 260 <> 13 LYS ( 13 ) CG D= 3.11 H-ene= -- Sym= 3 (W-S) 279 133 HOH (HOH ) 156 <> 14 ARG ( 14 ) NE D= 3.43 H-ene= -- Sym= 3 (W-S) 280 133 HOH (HOH ) 156 <> 14 ARG ( 14 ) CZ D= 3.49 H-ene= -- Sym= 3 (W-S) 281 133 HOH (HOH ) 182 <> 14 ARG ( 14 ) CG D= 3.58 H-ene= -- Sym= 3 (W-S) 282 133 HOH (HOH ) 260 <> 14 ARG ( 14 ) N D= 3.12 H-ene= -- Sym= 3 (W-B) 283 133 HOH (HOH ) 260 <> 14 ARG ( 14 ) CA D= 3.18 H-ene= -- Sym= 3 (W-B) 284 133 HOH (HOH ) 255 <> 128 ARG ( 128 ) N D= 3.43 H-ene= 0.70 Sym= 3 (W-B) 285 133 HOH (HOH ) 188 <> 129 LEU ( 129 ) O D= 3.25 H-ene= 0.73 Sym= 3 (W-B) 286 133 HOH (HOH ) 182 <> 133 HOH (HOH ) 255 D= 2.97 H-ene= 0.84 Sym= 3 (W-W) 287 133 HOH (HOH ) 188 <> 133 HOH (HOH ) 188 D= 3.04 H-ene= 0.82 Sym= 3 (W-W) 288 133 HOH (HOH ) 188 <> 133 HOH (HOH ) 260 D= 3.00 H-ene= 0.84 Sym= 3 (W-W) 289 133 HOH (HOH ) 199 <> 133 HOH (HOH ) 255 D= 2.69 H-ene= 0.80 Sym= 3 (W-W) 290 133 HOH (HOH ) 255 <> 133 HOH (HOH ) 182 D= 2.97 H-ene= 0.84 Sym= 3 (W-W) 291 133 HOH (HOH ) 255 <> 133 HOH (HOH ) 199 D= 2.69 H-ene= 0.80 Sym= 3 (W-W) 292 133 HOH (HOH ) 260 <> 133 HOH (HOH ) 188 D= 3.00 H-ene= 0.84 Sym= 3 (W-W) 293 133 HOH (HOH ) 210 <> 1 LYS ( 1 ) CA D= 3.58 H-ene= -- Sym= 4 (W-B) 294 133 HOH (HOH ) 212 <> 2 VAL ( 2 ) CG2 D= 3.48 H-ene= -- Sym= 4 (W-S) 295 133 HOH (HOH ) 186 <> 41 GLN ( 41 ) CG D= 3.42 H-ene= -- Sym= 4 (W-S) 296 133 HOH (HOH ) 186 <> 41 GLN ( 41 ) CD D= 3.60 H-ene= -- Sym= 4 (W-S) 297 133 HOH (HOH ) 165 <> 42 ALA ( 42 ) CB D= 3.65 H-ene= -- Sym= 4 (W-S) 298 133 HOH (HOH ) 273 <> 43 THR ( 43 ) CB D= 3.32 H-ene= -- Sym= 4 (W-S) 299 133 HOH (HOH ) 273 <> 43 THR ( 43 ) OG1 D= 2.78 H-ene= -- Sym= 4 (W-S) 300 133 HOH (HOH ) 271 <> 44 ASN ( 44 ) ND2 D= 2.96 H-ene= 0.41 Sym= 4 (W-S) 301 133 HOH (HOH ) 134 <> 53 TYR ( 53 ) CZ D= 3.67 H-ene= -- Sym= 4 (W-S) 302 133 HOH (HOH ) 134 <> 53 TYR ( 53 ) OH D= 2.71 H-ene= 0.96 Sym= 4 (W-S) 303 133 HOH (HOH ) 134 <> 68 ARG ( 68 ) CZ D= 3.32 H-ene= -- Sym= 4 (W-S) 304 133 HOH (HOH ) 134 <> 68 ARG ( 68 ) NH2 D= 3.18 H-ene= -- Sym= 4 (W-S) 305 133 HOH (HOH ) 219 <> 81 SER ( 81 ) CB D= 3.54 H-ene= -- Sym= 4 (W-S) 306 133 HOH (HOH ) 186 <> 84 LEU ( 84 ) O D= 2.84 H-ene= 0.76 Sym= 4 (W-B) 307 133 HOH (HOH ) 145 <> 133 HOH (HOH ) 148 D= 2.78 H-ene= 0.83 Sym= 4 (W-W) 308 133 HOH (HOH ) 148 <> 133 HOH (HOH ) 145 D= 2.78 H-ene= 0.83 Sym= 4 (W-W) 309 133 HOH (HOH ) 165 <> 133 HOH (HOH ) 175 D= 2.87 H-ene= 0.85 Sym= 4 (W-W) 310 133 HOH (HOH ) 165 <> 133 HOH (HOH ) 232 D= 2.70 H-ene= 0.80 Sym= 4 (W-W) 311 133 HOH (HOH ) 168 <> 133 HOH (HOH ) 271 D= 2.60 H-ene= 0.80 Sym= 4 (W-W) 312 133 HOH (HOH ) 169 <> 133 HOH (HOH ) 186 D= 2.76 H-ene= 0.83 Sym= 4 (W-W) 313 133 HOH (HOH ) 169 <> 133 HOH (HOH ) 210 D= 3.19 H-ene= 0.78 Sym= 4 (W-W) 314 133 HOH (HOH ) 175 <> 133 HOH (HOH ) 165 D= 2.87 H-ene= 0.85 Sym= 4 (W-W) 315 133 HOH (HOH ) 175 <> 133 HOH (HOH ) 191 D= 2.97 H-ene= 0.84 Sym= 4 (W-W) 316 133 HOH (HOH ) 186 <> 133 HOH (HOH ) 169 D= 2.76 H-ene= 0.83 Sym= 4 (W-W) 317 133 HOH (HOH ) 191 <> 133 HOH (HOH ) 175 D= 2.97 H-ene= 0.84 Sym= 4 (W-W) 318 133 HOH (HOH ) 191 <> 133 HOH (HOH ) 204 D= 2.88 H-ene= 0.85 Sym= 4 (W-W) 319 133 HOH (HOH ) 204 <> 133 HOH (HOH ) 191 D= 2.88 H-ene= 0.85 Sym= 4 (W-W) 320 133 HOH (HOH ) 210 <> 133 HOH (HOH ) 169 D= 3.19 H-ene= 0.78 Sym= 4 (W-W) 321 133 HOH (HOH ) 219 <> 133 HOH (HOH ) 219 D= 2.71 H-ene= 0.83 Sym= 4 (W-W) 322 133 HOH (HOH ) 219 <> 133 HOH (HOH ) 238 D= 3.00 H-ene= 0.82 Sym= 4 (W-W) 323 133 HOH (HOH ) 232 <> 133 HOH (HOH ) 165 D= 2.70 H-ene= 0.80 Sym= 4 (W-W) 324 133 HOH (HOH ) 238 <> 133 HOH (HOH ) 219 D= 3.00 H-ene= 0.82 Sym= 4 (W-W) 325 133 HOH (HOH ) 238 <> 133 HOH (HOH ) 243 D= 3.20 H-ene= 0.78 Sym= 4 (W-W) 326 133 HOH (HOH ) 243 <> 133 HOH (HOH ) 238 D= 3.20 H-ene= 0.78 Sym= 4 (W-W) 327 133 HOH (HOH ) 271 <> 133 HOH (HOH ) 168 D= 2.60 H-ene= 0.80 Sym= 4 (W-W) 328 133 HOH (HOH ) 273 <> 133 HOH (HOH ) 273 D= -- H-ene= 0.00 Sym= 4 (W-W) 329 133 HOH (HOH ) 272 <> 71 GLY ( 71 ) N D= 2.95 H-ene= -- Sym= 5 (W-B) 330 133 HOH (HOH ) 272 <> 71 GLY ( 71 ) CA D= 3.69 H-ene= -- Sym= 5 (W-B) 331 133 HOH (HOH ) 187 <> 133 HOH (HOH ) 272 D= 3.26 H-ene= -- Sym= 5 (W-W) 332 133 HOH (HOH ) 272 <> 133 HOH (HOH ) 187 D= 3.26 H-ene= -- Sym= 5 (W-W) 333 133 HOH (HOH ) 272 <> 133 HOH (HOH ) 272 D= -- H-ene= 0.00 Sym= 5 (W-W) 334 133 HOH (HOH ) 193 <> 21 ARG ( 21 ) CZ D= 3.48 H-ene= -- Sym= 6 (W-S) 335 133 HOH (HOH ) 193 <> 21 ARG ( 21 ) NH1 D= 3.16 H-ene= 0.36 Sym= 6 (W-S) 336 133 HOH (HOH ) 193 <> 21 ARG ( 21 ) NH2 D= 3.25 H-ene= 0.30 Sym= 6 (W-S) 337 133 HOH (HOH ) 147 <> 22 GLY ( 22 ) O D= 2.91 H-ene= 0.88 Sym= 6 (W-B) 338 133 HOH (HOH ) 147 <> 23 TYR ( 23 ) CA D= 3.65 H-ene= -- Sym= 6 (W-B) 339 133 HOH (HOH ) 147 <> 24 SER ( 24 ) N D= 2.96 H-ene= 0.83 Sym= 6 (W-B) 340 133 HOH (HOH ) 147 <> 24 SER ( 24 ) CB D= 3.63 H-ene= -- Sym= 6 (W-S) 341 133 HOH (HOH ) 147 <> 27 ASN ( 27 ) ND2 D= 3.41 H-ene= -- Sym= 6 (W-S) 342 133 HOH (HOH ) 201 <> 106 ASN ( 106 ) ND2 D= 3.56 H-ene= -- Sym= 6 (W-S) 343 133 HOH (HOH ) 161 <> 111 TRP ( 111 ) CZ2 D= 3.67 H-ene= -- Sym= 6 (W-S) 344 133 HOH (HOH ) 136 <> 116 LYS ( 116 ) CE D= 3.63 H-ene= -- Sym= 6 (W-S) 345 133 HOH (HOH ) 136 <> 116 LYS ( 116 ) NZ D= 2.90 H-ene= 0.78 Sym= 6 (W-S) 346 133 HOH (HOH ) 136 <> 133 HOH (HOH ) 211 D= 3.17 H-ene= 0.78 Sym= 6 (W-W) 347 133 HOH (HOH ) 147 <> 133 HOH (HOH ) 162 D= 3.27 H-ene= 0.72 Sym= 6 (W-W) 348 133 HOH (HOH ) 147 <> 133 HOH (HOH ) 245 D= 2.73 H-ene= 0.83 Sym= 6 (W-W) 349 133 HOH (HOH ) 154 <> 133 HOH (HOH ) 174 D= 2.92 H-ene= 0.84 Sym= 6 (W-W) 350 133 HOH (HOH ) 161 <> 133 HOH (HOH ) 159 D= 2.73 H-ene= 0.83 Sym= 6 (W-W) 351 133 HOH (HOH ) 183 <> 133 HOH (HOH ) 170 D= 2.89 H-ene= 0.85 Sym= 6 (W-W) 352 133 HOH (HOH ) 183 <> 133 HOH (HOH ) 245 D= 3.21 H-ene= 0.72 Sym= 6 (W-W) 353 133 HOH (HOH ) 196 <> 133 HOH (HOH ) 172 D= 3.00 H-ene= 0.82 Sym= 6 (W-W) 354 133 HOH (HOH ) 200 <> 133 HOH (HOH ) 141 D= 2.75 H-ene= 0.83 Sym= 6 (W-W) 355 133 HOH (HOH ) 209 <> 133 HOH (HOH ) 170 D= 2.70 H-ene= 0.80 Sym= 6 (W-W) 356 133 HOH (HOH ) 217 <> 133 HOH (HOH ) 211 D= 2.78 H-ene= 0.83 Sym= 6 (W-W) 357 133 HOH (HOH ) 250 <> 133 HOH (HOH ) 185 D= 2.87 H-ene= 0.85 Sym= 6 (W-W) 358 133 HOH (HOH ) 248 <> 47 THR ( 47 ) O D= 3.08 H-ene= 0.69 Sym= 7 (W-B) 359 133 HOH (HOH ) 213 <> 48 ASP ( 48 ) O D= 3.14 H-ene= 0.81 Sym= 7 (W-B) 360 133 HOH (HOH ) 170 <> 34 PHE ( 34 ) C D= 3.48 H-ene= -- Sym= 8 (W-B) 361 133 HOH (HOH ) 170 <> 34 PHE ( 34 ) O D= 2.87 H-ene= 0.68 Sym= 8 (W-B) 362 133 HOH (HOH ) 192 <> 112 ARG ( 112 ) CD D= 3.09 H-ene= -- Sym= 8 (W-S) 363 133 HOH (HOH ) 192 <> 112 ARG ( 112 ) NH1 D= 2.72 H-ene= 0.73 Sym= 8 (W-S) 364 133 HOH (HOH ) 192 <> 113 ASN ( 113 ) CG D= 3.59 H-ene= -- Sym= 8 (W-S) 365 133 HOH (HOH ) 192 <> 113 ASN ( 113 ) OD1 D= 2.68 H-ene= 0.78 Sym= 8 (W-S) 366 133 HOH (HOH ) 141 <> 114 ARG ( 114 ) CD D= 3.44 H-ene= -- Sym= 8 (W-S) 367 133 HOH (HOH ) 141 <> 114 ARG ( 114 ) NH1 D= 2.93 H-ene= 0.73 Sym= 8 (W-S) 368 133 HOH (HOH ) 162 <> 114 ARG ( 114 ) NH2 D= 3.14 H-ene= 0.19 Sym= 8 (W-S) 369 133 HOH (HOH ) 174 <> 118 THR ( 118 ) CG2 D= 3.58 H-ene= -- Sym= 8 (W-S) 370 133 HOH (HOH ) 141 <> 133 HOH (HOH ) 200 D= 2.75 H-ene= 0.83 Sym= 8 (W-W) 371 133 HOH (HOH ) 159 <> 133 HOH (HOH ) 161 D= 2.73 H-ene= 0.83 Sym= 8 (W-W) 372 133 HOH (HOH ) 162 <> 133 HOH (HOH ) 147 D= 3.27 H-ene= 0.72 Sym= 8 (W-W) 373 133 HOH (HOH ) 170 <> 133 HOH (HOH ) 183 D= 2.89 H-ene= 0.85 Sym= 8 (W-W) 374 133 HOH (HOH ) 170 <> 133 HOH (HOH ) 209 D= 2.70 H-ene= 0.80 Sym= 8 (W-W) 375 133 HOH (HOH ) 172 <> 133 HOH (HOH ) 196 D= 3.00 H-ene= 0.82 Sym= 8 (W-W) 376 133 HOH (HOH ) 174 <> 133 HOH (HOH ) 154 D= 2.92 H-ene= 0.84 Sym= 8 (W-W) 377 133 HOH (HOH ) 185 <> 133 HOH (HOH ) 250 D= 2.87 H-ene= 0.85 Sym= 8 (W-W) 378 133 HOH (HOH ) 211 <> 133 HOH (HOH ) 136 D= 3.17 H-ene= 0.78 Sym= 8 (W-W) 379 133 HOH (HOH ) 211 <> 133 HOH (HOH ) 217 D= 2.78 H-ene= 0.83 Sym= 8 (W-W) 380 133 HOH (HOH ) 245 <> 133 HOH (HOH ) 147 D= 2.73 H-ene= 0.83 Sym= 8 (W-W) 381 133 HOH (HOH ) 245 <> 133 HOH (HOH ) 183 D= 3.21 H-ene= 0.72 Sym= 8 (W-W) Transformation 1 Transformation ID : 1555 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 Transformation 2 Transformation ID : 4555 0.00000 -1.00000 0.00000 39.27113 1.00000 0.00000 0.00000 39.27113 0.00000 0.00000 1.00000 28.32754 Transformation 3 Transformation ID : 6555 0.00000 -1.00000 0.00000 0.00000 -1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -1.00000 18.88503 Transformation 4 Transformation ID : 2556 0.00000 1.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -1.00000 37.77006 Transformation 5 Transformation ID : 2557 0.00000 1.00000 0.00000 0.00000 1.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -1.00000 75.54012 Transformation 6 Transformation ID : 4554 0.00000 -1.00000 0.00000 39.27112 1.00000 0.00000 0.00000 39.27112 0.00000 0.00000 1.00000 -9.44251 Transformation 7 Transformation ID : 5454 0.00000 1.00000 0.00000 -39.27113 -1.00000 0.00000 0.00000 39.27112 0.00000 0.00000 1.00000 -28.32754 Transformation 8 Transformation ID : 5455 0.00000 1.00000 0.00000 -39.27113 -1.00000 0.00000 0.00000 39.27112 0.00000 0.00000 1.00000 9.44251 And again, but now in fractional coordinates Transformation 1 ===> Unit matrix Transformation ID : 1555 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 Transformation 2 ===> An improper 4-fold axis along the c axis Transformation ID : 4555 0.000000 -1.000000 0.000000 0.500000 1.000000 0.000000 0.000000 0.500000 0.000000 0.000000 1.000000 0.750000 Transformation 3 ===> A proper 2-fold axis along an a/b plane diagonal Transformation ID : 6555 0.000000 -1.000000 0.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -1.000000 0.500000 Transformation 4 ===> A proper 2-fold axis along an a/b plane diagonal Transformation ID : 2556 0.000000 1.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -1.000000 1.000000 Transformation 5 ===> A proper 2-fold axis along an a/b plane diagonal Transformation ID : 2557 0.000000 1.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -1.000000 2.000000 Transformation 6 ===> An improper 4-fold axis along the c axis Transformation ID : 4554 0.000000 -1.000000 0.000000 0.500000 1.000000 0.000000 0.000000 0.500000 0.000000 0.000000 1.000000 -0.250000 Transformation 7 ===> An improper 4-fold axis along the c axis Transformation ID : 5454 0.000000 1.000000 0.000000 -0.500000 -1.000000 0.000000 0.000000 0.500000 0.000000 0.000000 1.000000 -0.750000 Transformation 8 ===> An improper 4-fold axis along the c axis Transformation ID : 5455 0.000000 1.000000 0.000000 -0.500000 -1.000000 0.000000 0.000000 0.500000 0.000000 0.000000 1.000000 0.250000
Calculate contacts 1 - 129 -> 1 - 133 d= 0.500 1 1 LYS ( 1 ) C <> 3 PHE ( 3 ) N D= 3.82 H-ene= -- Sym= (B-B) 2 1 LYS ( 1 ) CD <> 3 PHE ( 3 ) CE1 D= 3.74 H-ene= -- Sym= (S-S) 3 1 LYS ( 1 ) CD <> 3 PHE ( 3 ) CZ D= 3.94 H-ene= -- Sym= (S-S) 4 1 LYS ( 1 ) CE <> 3 PHE ( 3 ) CG D= 3.97 H-ene= -- Sym= (S-S) 5 1 LYS ( 1 ) CE <> 3 PHE ( 3 ) CD1 D= 3.90 H-ene= -- Sym= (S-S) 6 1 LYS ( 1 ) CE <> 3 PHE ( 3 ) CD2 D= 3.82 H-ene= -- Sym= (S-S) 7 1 LYS ( 1 ) CE <> 3 PHE ( 3 ) CE1 D= 3.70 H-ene= -- Sym= (S-S) 8 1 LYS ( 1 ) CE <> 3 PHE ( 3 ) CE2 D= 3.61 H-ene= -- Sym= (S-S) 9 1 LYS ( 1 ) CE <> 3 PHE ( 3 ) CZ D= 3.54 H-ene= -- Sym= (S-S) 10 1 LYS ( 1 ) CE <> 7 GLU ( 7 ) CD D= 3.81 H-ene= -- Sym= (S-S) 11 1 LYS ( 1 ) CE <> 7 GLU ( 7 ) OE2 D= 3.29 H-ene= -- Sym= (S-S) 12 1 LYS ( 1 ) NZ <> 7 GLU ( 7 ) CD D= 3.39 H-ene= -- Sym= (S-S) 13 1 LYS ( 1 ) NZ <> 7 GLU ( 7 ) OE1 D= 3.30 H-ene= -- Sym= (S-S) 14 1 LYS ( 1 ) NZ <> 7 GLU ( 7 ) OE2 D= 2.78 H-ene= 0.59 Sym= (S-S) 15 1 LYS ( 1 ) O <> 39 ASN ( 39 ) CA D= 3.52 H-ene= -- Sym= (B-B) 16 1 LYS ( 1 ) O <> 39 ASN ( 39 ) C D= 3.68 H-ene= -- Sym= (B-B) 17 1 LYS ( 1 ) N <> 40 THR ( 40 ) OG1 D= 2.73 H-ene= 0.89 Sym= (B-S) 18 1 LYS ( 1 ) CA <> 40 THR ( 40 ) OG1 D= 3.68 H-ene= -- Sym= (B-S) 19 1 LYS ( 1 ) O <> 40 THR ( 40 ) N D= 2.89 H-ene= 0.76 Sym= (B-B) 20 1 LYS ( 1 ) O <> 40 THR ( 40 ) CG2 D= 3.42 H-ene= -- Sym= (B-S) 21 1 LYS ( 1 ) N <> 41 GLN ( 41 ) CG D= 3.94 H-ene= -- Sym= (B-S) 22 1 LYS ( 1 ) CB <> 86 SER ( 86 ) CA D= 4.10 H-ene= -- Sym= (S-B) 23 1 LYS ( 1 ) CB <> 86 SER ( 86 ) CB D= 3.81 H-ene= -- Sym= (S-S) 24 1 LYS ( 1 ) CD <> 86 SER ( 86 ) CB D= 4.08 H-ene= -- Sym= (S-S) 25 1 LYS ( 1 ) N <> 133 HOH (HOH ) 145 D= 2.69 H-ene= 0.76 Sym= (B-W) 26 1 LYS ( 1 ) N <> 133 HOH (HOH ) 169 D= 2.68 H-ene= 0.80 Sym= (B-W) 27 1 LYS ( 1 ) CA <> 133 HOH (HOH ) 145 D= 3.35 H-ene= -- Sym= (B-W) 28 1 LYS ( 1 ) CA <> 133 HOH (HOH ) 160 D= 3.63 H-ene= -- Sym= (B-W) 29 1 LYS ( 1 ) CA <> 133 HOH (HOH ) 169 D= 3.54 H-ene= -- Sym= (B-W) 30 1 LYS ( 1 ) C <> 133 HOH (HOH ) 145 D= 3.50 H-ene= -- Sym= (B-W) 31 1 LYS ( 1 ) CB <> 133 HOH (HOH ) 220 D= 3.46 H-ene= -- Sym= (S-W) 32 1 LYS ( 1 ) CD <> 133 HOH (HOH ) 227 D= 3.34 H-ene= -- Sym= (S-W) 33 1 LYS ( 1 ) CD <> 133 HOH (HOH ) 236 D= 3.56 H-ene= -- Sym= (S-W) 34 1 LYS ( 1 ) CE <> 133 HOH (HOH ) 227 D= 3.32 H-ene= -- Sym= (S-W) 35 1 LYS ( 1 ) CE <> 133 HOH (HOH ) 236 D= 3.30 H-ene= -- Sym= (S-W) 36 1 LYS ( 1 ) NZ <> 133 HOH (HOH ) 236 D= 2.74 H-ene= 0.68 Sym= (S-W) 37 2 VAL ( 2 ) CA <> 38 PHE ( 38 ) O D= 3.38 H-ene= -- Sym= (B-B) 38 2 VAL ( 2 ) C <> 38 PHE ( 38 ) O D= 3.58 H-ene= -- Sym= (B-B) 39 2 VAL ( 2 ) CG2 <> 39 ASN ( 39 ) CG D= 3.95 H-ene= -- Sym= (S-S) 40 2 VAL ( 2 ) N <> 133 HOH (HOH ) 160 D= 2.94 H-ene= 0.94 Sym= (B-W) 41 3 PHE ( 3 ) N <> 1 LYS ( 1 ) C D= 3.82 H-ene= -- Sym= (B-B) 42 3 PHE ( 3 ) CG <> 1 LYS ( 1 ) CE D= 3.97 H-ene= -- Sym= (S-S) 43 3 PHE ( 3 ) CD1 <> 1 LYS ( 1 ) CE D= 3.90 H-ene= -- Sym= (S-S) 44 3 PHE ( 3 ) CD2 <> 1 LYS ( 1 ) CE D= 3.82 H-ene= -- Sym= (S-S) 45 3 PHE ( 3 ) CE1 <> 1 LYS ( 1 ) CD D= 3.74 H-ene= -- Sym= (S-S) 46 3 PHE ( 3 ) CE1 <> 1 LYS ( 1 ) CE D= 3.70 H-ene= -- Sym= (S-S) 47 3 PHE ( 3 ) CE2 <> 1 LYS ( 1 ) CE D= 3.61 H-ene= -- Sym= (S-S) 48 3 PHE ( 3 ) CZ <> 1 LYS ( 1 ) CD D= 3.94 H-ene= -- Sym= (S-S) 49 3 PHE ( 3 ) CZ <> 1 LYS ( 1 ) CE D= 3.54 H-ene= -- Sym= (S-S) 50 3 PHE ( 3 ) CA <> 7 GLU ( 7 ) OE1 D= 3.63 H-ene= -- Sym= (B-S) 51 3 PHE ( 3 ) CD2 <> 7 GLU ( 7 ) C D= 3.95 H-ene= -- Sym= (S-B) 52 3 PHE ( 3 ) CD2 <> 7 GLU ( 7 ) CG D= 3.70 H-ene= -- Sym= (S-S) 53 3 PHE ( 3 ) CD2 <> 7 GLU ( 7 ) CD D= 3.65 H-ene= -- Sym= (S-S) 54 3 PHE ( 3 ) CD2 <> 7 GLU ( 7 ) OE1 D= 3.64 H-ene= -- Sym= (S-S) 55 3 PHE ( 3 ) CE2 <> 7 GLU ( 7 ) CG D= 4.08 H-ene= -- Sym= (S-S) 56 3 PHE ( 3 ) CE2 <> 7 GLU ( 7 ) CD D= 4.07 H-ene= -- Sym= (S-S) 57 3 PHE ( 3 ) CB <> 8 LEU ( 8 ) CB D= 3.82 H-ene= -- Sym= (S-S) 58 3 PHE ( 3 ) CG <> 8 LEU ( 8 ) CB D= 4.10 H-ene= -- Sym= (S-S) 59 3 PHE ( 3 ) CG <> 8 LEU ( 8 ) CD1 D= 4.03 H-ene= -- Sym= (S-S) 60 3 PHE ( 3 ) CD2 <> 8 LEU ( 8 ) N D= 3.71 H-ene= -- Sym= (S-B) 61 3 PHE ( 3 ) CD2 <> 8 LEU ( 8 ) CA D= 3.69 H-ene= -- Sym= (S-B) 62 3 PHE ( 3 ) CD2 <> 8 LEU ( 8 ) CB D= 4.00 H-ene= -- Sym= (S-S) 63 3 PHE ( 3 ) CD2 <> 8 LEU ( 8 ) CD1 D= 4.08 H-ene= -- Sym= (S-S) 64 3 PHE ( 3 ) N <> 38 PHE ( 38 ) C D= 3.98 H-ene= -- Sym= (B-B) 65 3 PHE ( 3 ) N <> 38 PHE ( 38 ) O D= 2.86 H-ene= 0.67 Sym= (B-B) 66 3 PHE ( 3 ) O <> 38 PHE ( 38 ) CB D= 3.45 H-ene= -- Sym= (B-S) 67 3 PHE ( 3 ) O <> 38 PHE ( 38 ) CD2 D= 3.70 H-ene= -- Sym= (B-S) 68 3 PHE ( 3 ) CD1 <> 40 THR ( 40 ) CG2 D= 3.95 H-ene= -- Sym= (S-S) 69 3 PHE ( 3 ) CE1 <> 40 THR ( 40 ) CG2 D= 3.66 H-ene= -- Sym= (S-S) 70 3 PHE ( 3 ) CD1 <> 55 ILE ( 55 ) CD1 D= 3.90 H-ene= -- Sym= (S-S) 71 3 PHE ( 3 ) CZ <> 86 SER ( 86 ) O D= 3.67 H-ene= -- Sym= (S-B) 72 3 PHE ( 3 ) CE1 <> 88 ILE ( 88 ) CG2 D= 3.67 H-ene= -- Sym= (S-S) 73 3 PHE ( 3 ) CZ <> 88 ILE ( 88 ) CG2 D= 3.77 H-ene= -- Sym= (S-S) 74 3 PHE ( 3 ) O <> 133 HOH (HOH ) 171 D= 2.64 H-ene= 0.72 Sym= (B-W) 75 3 PHE ( 3 ) CZ <> 133 HOH (HOH ) 227 D= 3.12 H-ene= -- Sym= (S-W) 76 4 GLY ( 4 ) C <> 6 CYS ( 6 ) N D= 3.42 H-ene= -- Sym= (B-B) 77 4 GLY ( 4 ) O <> 6 CYS ( 6 ) N D= 3.45 H-ene= -- Sym= (B-B) 78 4 GLY ( 4 ) N <> 7 GLU ( 7 ) CB D= 3.87 H-ene= -- Sym= (B-S) 79 4 GLY ( 4 ) N <> 7 GLU ( 7 ) OE1 D= 3.11 H-ene= 0.80 Sym= (B-S) 80 4 GLY ( 4 ) C <> 7 GLU ( 7 ) N D= 3.79 H-ene= -- Sym= (B-B) 81 4 GLY ( 4 ) O <> 7 GLU ( 7 ) N D= 3.26 H-ene= -- Sym= (B-B) 82 4 GLY ( 4 ) O <> 7 GLU ( 7 ) CB D= 3.58 H-ene= -- Sym= (B-S) 83 4 GLY ( 4 ) O <> 8 LEU ( 8 ) N D= 2.92 H-ene= 0.63 Sym= (B-B) 84 4 GLY ( 4 ) O <> 8 LEU ( 8 ) CB D= 3.48 H-ene= -- Sym= (B-S) 85 4 GLY ( 4 ) CA <> 133 HOH (HOH ) 177 D= 3.44 H-ene= -- Sym= (B-W) 86 4 GLY ( 4 ) C <> 133 HOH (HOH ) 177 D= 3.43 H-ene= -- Sym= (B-W) 87 5 ARG ( 5 ) C <> 7 GLU ( 7 ) N D= 3.27 H-ene= -- Sym= (B-B) 88 5 ARG ( 5 ) O <> 7 GLU ( 7 ) N D= 3.44 H-ene= -- Sym= (B-B) 89 5 ARG ( 5 ) C <> 8 LEU ( 8 ) N D= 3.91 H-ene= -- Sym= (B-B) 90 5 ARG ( 5 ) O <> 8 LEU ( 8 ) N D= 3.34 H-ene= -- Sym= (B-B) 91 5 ARG ( 5 ) O <> 8 LEU ( 8 ) CB D= 3.65 H-ene= -- Sym= (B-S) 92 5 ARG ( 5 ) O <> 9 ALA ( 9 ) N D= 3.03 H-ene= 0.72 Sym= (B-B) 93 5 ARG ( 5 ) O <> 9 ALA ( 9 ) CB D= 3.61 H-ene= -- Sym= (B-S) 94 5 ARG ( 5 ) CA <> 38 PHE ( 38 ) CE2 D= 3.91 H-ene= -- Sym= (B-S) 95 5 ARG ( 5 ) CB <> 38 PHE ( 38 ) CE2 D= 4.05 H-ene= -- Sym= (S-S) 96 5 ARG ( 5 ) CG <> 123 TRP ( 123 ) O D= 3.25 H-ene= -- Sym= (S-B) 97 5 ARG ( 5 ) CD <> 123 TRP ( 123 ) C D= 4.07 H-ene= -- Sym= (S-B) 98 5 ARG ( 5 ) CD <> 123 TRP ( 123 ) O D= 3.22 H-ene= -- Sym= (S-B) 99 5 ARG ( 5 ) CD <> 123 TRP ( 123 ) CE3 D= 3.93 H-ene= -- Sym= (S-S) 100 5 ARG ( 5 ) NH1 <> 123 TRP ( 123 ) C D= 3.31 H-ene= -- Sym= (S-B) 101 5 ARG ( 5 ) NH1 <> 123 TRP ( 123 ) O D= 2.72 H-ene= 0.59 Sym= (S-B) 102 5 ARG ( 5 ) NH1 <> 124 ILE ( 124 ) N D= 3.75 H-ene= -- Sym= (S-B) 103 5 ARG ( 5 ) NH1 <> 124 ILE ( 124 ) CA D= 3.66 H-ene= -- Sym= (S-B) 104 5 ARG ( 5 ) NH1 <> 124 ILE ( 124 ) C D= 3.60 H-ene= -- Sym= (S-B) 105 5 ARG ( 5 ) NE <> 125 ARG ( 125 ) NH1 D= 3.83 H-ene= -- Sym= (S-S) 106 5 ARG ( 5 ) CZ <> 125 ARG ( 125 ) O D= 3.39 H-ene= -- Sym= (S-B) 107 5 ARG ( 5 ) CZ <> 125 ARG ( 125 ) NH1 D= 3.53 H-ene= -- Sym= (S-S) 108 5 ARG ( 5 ) NH1 <> 125 ARG ( 125 ) N D= 3.58 H-ene= -- Sym= (S-B) 109 5 ARG ( 5 ) NH1 <> 125 ARG ( 125 ) C D= 3.90 H-ene= -- Sym= (S-B) 110 5 ARG ( 5 ) NH1 <> 125 ARG ( 125 ) O D= 2.91 H-ene= 0.58 Sym= (S-B) 111 5 ARG ( 5 ) NH1 <> 125 ARG ( 125 ) NH1 D= 3.79 H-ene= -- Sym= (S-S) 112 5 ARG ( 5 ) NH2 <> 125 ARG ( 125 ) O D= 3.01 H-ene= 0.50 Sym= (S-B) 113 5 ARG ( 5 ) NH2 <> 125 ARG ( 125 ) CZ D= 3.83 H-ene= -- Sym= (S-S) 114 5 ARG ( 5 ) NH2 <> 125 ARG ( 125 ) NH1 D= 3.67 H-ene= -- Sym= (S-S) 115 5 ARG ( 5 ) CZ <> 127 CYS ( 127 ) SG D= 4.07 H-ene= -- Sym= (S-S) 116 5 ARG ( 5 ) NH1 <> 127 CYS ( 127 ) SG D= 3.32 H-ene= 0.07 Sym= (S-S) 117 5 ARG ( 5 ) N <> 133 HOH (HOH ) 140 D= 3.47 H-ene= -- Sym= (B-W) 118 5 ARG ( 5 ) N <> 133 HOH (HOH ) 190 D= 3.19 H-ene= 0.54 Sym= (B-W) 119 5 ARG ( 5 ) CB <> 133 HOH (HOH ) 190 D= 3.51 H-ene= -- Sym= (S-W) 120 5 ARG ( 5 ) CB <> 133 HOH (HOH ) 246 D= 3.68 H-ene= -- Sym= (S-W) 121 5 ARG ( 5 ) CD <> 133 HOH (HOH ) 246 D= 3.70 H-ene= -- Sym= (S-W) 122 5 ARG ( 5 ) NE <> 133 HOH (HOH ) 246 D= 2.87 H-ene= 0.78 Sym= (S-W) 123 6 CYS ( 6 ) N <> 4 GLY ( 4 ) C D= 3.42 H-ene= -- Sym= (B-B) 124 6 CYS ( 6 ) N <> 4 GLY ( 4 ) O D= 3.45 H-ene= -- Sym= (B-B) 125 6 CYS ( 6 ) C <> 8 LEU ( 8 ) N D= 3.25 H-ene= -- Sym= (B-B) 126 6 CYS ( 6 ) O <> 8 LEU ( 8 ) N D= 3.43 H-ene= -- Sym= (B-B) 127 6 CYS ( 6 ) CA <> 9 ALA ( 9 ) CB D= 4.06 H-ene= -- Sym= (B-S) 128 6 CYS ( 6 ) C <> 9 ALA ( 9 ) N D= 3.71 H-ene= -- Sym= (B-B) 129 6 CYS ( 6 ) C <> 9 ALA ( 9 ) CB D= 4.08 H-ene= -- Sym= (B-S) 130 6 CYS ( 6 ) O <> 9 ALA ( 9 ) N D= 3.33 H-ene= -- Sym= (B-B) 131 6 CYS ( 6 ) O <> 9 ALA ( 9 ) CB D= 3.55 H-ene= -- Sym= (B-S) 132 6 CYS ( 6 ) O <> 10 ALA ( 10 ) N D= 2.91 H-ene= 0.69 Sym= (B-B) 133 6 CYS ( 6 ) O <> 10 ALA ( 10 ) CB D= 3.47 H-ene= -- Sym= (B-S) 134 6 CYS ( 6 ) N <> 127 CYS ( 127 ) SG D= 4.04 H-ene= -- Sym= (B-S) 135 6 CYS ( 6 ) CA <> 127 CYS ( 127 ) SG D= 3.37 H-ene= -- Sym= (B-S) 136 6 CYS ( 6 ) CB <> 127 CYS ( 127 ) CB D= 3.53 H-ene= -- Sym= (S-S) 137 6 CYS ( 6 ) SG <> 127 CYS ( 127 ) N D= 3.82 H-ene= -- Sym= (S-B) 138 6 CYS ( 6 ) SG <> 127 CYS ( 127 ) CA D= 3.44 H-ene= -- Sym= (S-B) 139 6 CYS ( 6 ) N <> 133 HOH (HOH ) 140 D= 3.06 H-ene= 0.91 Sym= (B-W) 140 6 CYS ( 6 ) N <> 133 HOH (HOH ) 177 D= 3.34 H-ene= 0.19 Sym= (B-W) 141 6 CYS ( 6 ) C <> 133 HOH (HOH ) 182 D= 3.64 H-ene= -- Sym= (B-W) 142 6 CYS ( 6 ) O <> 133 HOH (HOH ) 182 D= 2.92 H-ene= 0.70 Sym= (B-W) 143 6 CYS ( 6 ) CB <> 133 HOH (HOH ) 140 D= 3.64 H-ene= -- Sym= (S-W) 144 6 CYS ( 6 ) SG <> 133 HOH (HOH ) 140 D= 3.66 H-ene= 0.11 Sym= (S-W) 145 6 CYS ( 6 ) SG <> 133 HOH (HOH ) 199 D= 3.81 H-ene= -- Sym= (S-W) 146 7 GLU ( 7 ) CD <> 1 LYS ( 1 ) CE D= 3.81 H-ene= -- Sym= (S-S) 147 7 GLU ( 7 ) CD <> 1 LYS ( 1 ) NZ D= 3.39 H-ene= -- Sym= (S-S) 148 7 GLU ( 7 ) OE1 <> 1 LYS ( 1 ) NZ D= 3.30 H-ene= -- Sym= (S-S) 149 7 GLU ( 7 ) OE2 <> 1 LYS ( 1 ) CE D= 3.29 H-ene= -- Sym= (S-S) 150 7 GLU ( 7 ) OE2 <> 1 LYS ( 1 ) NZ D= 2.78 H-ene= 0.59 Sym= (S-S) 151 7 GLU ( 7 ) C <> 3 PHE ( 3 ) CD2 D= 3.95 H-ene= -- Sym= (B-S) 152 7 GLU ( 7 ) CG <> 3 PHE ( 3 ) CD2 D= 3.70 H-ene= -- Sym= (S-S) 153 7 GLU ( 7 ) CG <> 3 PHE ( 3 ) CE2 D= 4.08 H-ene= -- Sym= (S-S) 154 7 GLU ( 7 ) CD <> 3 PHE ( 3 ) CD2 D= 3.65 H-ene= -- Sym= (S-S) 155 7 GLU ( 7 ) CD <> 3 PHE ( 3 ) CE2 D= 4.07 H-ene= -- Sym= (S-S) 156 7 GLU ( 7 ) OE1 <> 3 PHE ( 3 ) CA D= 3.63 H-ene= -- Sym= (S-B) 157 7 GLU ( 7 ) OE1 <> 3 PHE ( 3 ) CD2 D= 3.64 H-ene= -- Sym= (S-S) 158 7 GLU ( 7 ) N <> 4 GLY ( 4 ) C D= 3.79 H-ene= -- Sym= (B-B) 159 7 GLU ( 7 ) N <> 4 GLY ( 4 ) O D= 3.26 H-ene= -- Sym= (B-B) 160 7 GLU ( 7 ) CB <> 4 GLY ( 4 ) N D= 3.87 H-ene= -- Sym= (S-B) 161 7 GLU ( 7 ) CB <> 4 GLY ( 4 ) O D= 3.58 H-ene= -- Sym= (S-B) 162 7 GLU ( 7 ) OE1 <> 4 GLY ( 4 ) N D= 3.11 H-ene= 0.80 Sym= (S-B) 163 7 GLU ( 7 ) N <> 5 ARG ( 5 ) C D= 3.27 H-ene= -- Sym= (B-B) 164 7 GLU ( 7 ) N <> 5 ARG ( 5 ) O D= 3.44 H-ene= -- Sym= (B-B) 165 7 GLU ( 7 ) C <> 9 ALA ( 9 ) N D= 3.38 H-ene= -- Sym= (B-B) 166 7 GLU ( 7 ) C <> 10 ALA ( 10 ) N D= 3.91 H-ene= -- Sym= (B-B) 167 7 GLU ( 7 ) O <> 10 ALA ( 10 ) N D= 3.52 H-ene= -- Sym= (B-B) 168 7 GLU ( 7 ) O <> 11 ALA ( 11 ) N D= 3.07 H-ene= 0.64 Sym= (B-B) 169 7 GLU ( 7 ) O <> 11 ALA ( 11 ) CB D= 3.51 H-ene= -- Sym= (B-S) 170 7 GLU ( 7 ) N <> 133 HOH (HOH ) 177 D= 2.98 H-ene= 0.62 Sym= (B-W) 171 7 GLU ( 7 ) C <> 133 HOH (HOH ) 156 D= 3.59 H-ene= -- Sym= (B-W) 172 7 GLU ( 7 ) O <> 133 HOH (HOH ) 156 D= 2.71 H-ene= 0.86 Sym= (B-W) 173 7 GLU ( 7 ) CB <> 133 HOH (HOH ) 177 D= 3.56 H-ene= -- Sym= (S-W) 174 7 GLU ( 7 ) CG <> 133 HOH (HOH ) 156 D= 3.35 H-ene= -- Sym= (S-W) 175 7 GLU ( 7 ) CG <> 133 HOH (HOH ) 231 D= 3.30 H-ene= -- Sym= (S-W) 176 7 GLU ( 7 ) CD <> 133 HOH (HOH ) 231 D= 3.37 H-ene= -- Sym= (S-W) 177 7 GLU ( 7 ) OE2 <> 133 HOH (HOH ) 231 D= 2.72 H-ene= 0.78 Sym= (S-W) 178 8 LEU ( 8 ) N <> 3 PHE ( 3 ) CD2 D= 3.71 H-ene= -- Sym= (B-S) 179 8 LEU ( 8 ) CA <> 3 PHE ( 3 ) CD2 D= 3.69 H-ene= -- Sym= (B-S) 180 8 LEU ( 8 ) CB <> 3 PHE ( 3 ) CB D= 3.82 H-ene= -- Sym= (S-S) 181 8 LEU ( 8 ) CB <> 3 PHE ( 3 ) CG D= 4.10 H-ene= -- Sym= (S-S) 182 8 LEU ( 8 ) CB <> 3 PHE ( 3 ) CD2 D= 4.00 H-ene= -- Sym= (S-S) 183 8 LEU ( 8 ) CD1 <> 3 PHE ( 3 ) CG D= 4.03 H-ene= -- Sym= (S-S) 184 8 LEU ( 8 ) CD1 <> 3 PHE ( 3 ) CD2 D= 4.08 H-ene= -- Sym= (S-S) 185 8 LEU ( 8 ) N <> 4 GLY ( 4 ) O D= 2.92 H-ene= 0.63 Sym= (B-B) 186 8 LEU ( 8 ) CB <> 4 GLY ( 4 ) O D= 3.48 H-ene= -- Sym= (S-B) 187 8 LEU ( 8 ) N <> 5 ARG ( 5 ) C D= 3.91 H-ene= -- Sym= (B-B) 188 8 LEU ( 8 ) N <> 5 ARG ( 5 ) O D= 3.34 H-ene= -- Sym= (B-B) 189 8 LEU ( 8 ) CB <> 5 ARG ( 5 ) O D= 3.65 H-ene= -- Sym= (S-B) 190 8 LEU ( 8 ) N <> 6 CYS ( 6 ) C D= 3.25 H-ene= -- Sym= (B-B) 191 8 LEU ( 8 ) N <> 6 CYS ( 6 ) O D= 3.43 H-ene= -- Sym= (B-B) 192 8 LEU ( 8 ) C <> 10 ALA ( 10 ) N D= 3.22 H-ene= -- Sym= (B-B) 193 8 LEU ( 8 ) O <> 10 ALA ( 10 ) N D= 3.32 H-ene= -- Sym= (B-B) 194 8 LEU ( 8 ) C <> 11 ALA ( 11 ) N D= 3.69 H-ene= -- Sym= (B-B) 195 8 LEU ( 8 ) O <> 11 ALA ( 11 ) N D= 3.11 H-ene= -- Sym= (B-B) 196 8 LEU ( 8 ) O <> 11 ALA ( 11 ) CA D= 3.59 H-ene= -- Sym= (B-B) 197 8 LEU ( 8 ) O <> 11 ALA ( 11 ) C D= 3.64 H-ene= -- Sym= (B-B) 198 8 LEU ( 8 ) O <> 11 ALA ( 11 ) CB D= 3.56 H-ene= -- Sym= (B-S) 199 8 LEU ( 8 ) C <> 12 MET ( 12 ) N D= 3.99 H-ene= -- Sym= (B-B) 200 8 LEU ( 8 ) O <> 12 MET ( 12 ) N D= 2.79 H-ene= 0.66 Sym= (B-B) 201 8 LEU ( 8 ) O <> 12 MET ( 12 ) CA D= 3.69 H-ene= -- Sym= (B-B) 202 8 LEU ( 8 ) O <> 12 MET ( 12 ) CB D= 3.43 H-ene= -- Sym= (B-S) 203 8 LEU ( 8 ) O <> 12 MET ( 12 ) CG D= 3.32 H-ene= -- Sym= (B-S) 204 8 LEU ( 8 ) CG <> 12 MET ( 12 ) SD D= 3.94 H-ene= -- Sym= (S-S) 205 8 LEU ( 8 ) CD1 <> 12 MET ( 12 ) CG D= 4.09 H-ene= -- Sym= (S-S) 206 8 LEU ( 8 ) CD2 <> 32 ALA ( 32 ) CB D= 3.55 H-ene= -- Sym= (S-S) 207 8 LEU ( 8 ) CD2 <> 38 PHE ( 38 ) CD1 D= 3.43 H-ene= -- Sym= (S-S) 208 8 LEU ( 8 ) CD2 <> 38 PHE ( 38 ) CE1 D= 3.65 H-ene= -- Sym= (S-S) 209 8 LEU ( 8 ) CD1 <> 55 ILE ( 55 ) CD1 D= 3.61 H-ene= -- Sym= (S-S) 210 8 LEU ( 8 ) CD2 <> 55 ILE ( 55 ) CD1 D= 3.87 H-ene= -- Sym= (S-S) 211 9 ALA ( 9 ) N <> 5 ARG ( 5 ) O D= 3.03 H-ene= 0.72 Sym= (B-B) 212 9 ALA ( 9 ) CB <> 5 ARG ( 5 ) O D= 3.61 H-ene= -- Sym= (S-B) 213 9 ALA ( 9 ) N <> 6 CYS ( 6 ) C D= 3.71 H-ene= -- Sym= (B-B) 214 9 ALA ( 9 ) N <> 6 CYS ( 6 ) O D= 3.33 H-ene= -- Sym= (B-B) 215 9 ALA ( 9 ) CB <> 6 CYS ( 6 ) CA D= 4.06 H-ene= -- Sym= (S-B) 216 9 ALA ( 9 ) CB <> 6 CYS ( 6 ) C D= 4.08 H-ene= -- Sym= (S-B) 217 9 ALA ( 9 ) CB <> 6 CYS ( 6 ) O D= 3.55 H-ene= -- Sym= (S-B) 218 9 ALA ( 9 ) N <> 7 GLU ( 7 ) C D= 3.38 H-ene= -- Sym= (B-B) 219 9 ALA ( 9 ) C <> 11 ALA ( 11 ) N D= 3.31 H-ene= -- Sym= (B-B) 220 9 ALA ( 9 ) O <> 11 ALA ( 11 ) N D= 3.43 H-ene= -- Sym= (B-B) 221 9 ALA ( 9 ) C <> 12 MET ( 12 ) N D= 3.84 H-ene= -- Sym= (B-B) 222 9 ALA ( 9 ) O <> 12 MET ( 12 ) N D= 3.29 H-ene= -- Sym= (B-B) 223 9 ALA ( 9 ) O <> 12 MET ( 12 ) CB D= 3.70 H-ene= -- Sym= (B-S) 224 9 ALA ( 9 ) O <> 13 LYS ( 13 ) N D= 2.91 H-ene= 0.64 Sym= (B-B) 225 9 ALA ( 9 ) O <> 13 LYS ( 13 ) CB D= 3.37 H-ene= -- Sym= (B-S) 226 9 ALA ( 9 ) O <> 25 LEU ( 25 ) CD2 D= 3.60 H-ene= -- Sym= (B-S) 227 9 ALA ( 9 ) CA <> 29 VAL ( 29 ) CG2 D= 3.84 H-ene= -- Sym= (B-S) 228 9 ALA ( 9 ) CB <> 29 VAL ( 29 ) CG2 D= 3.92 H-ene= -- Sym= (S-S) 229 9 ALA ( 9 ) CB <> 124 ILE ( 124 ) CG2 D= 4.03 H-ene= -- Sym= (S-S) 230 9 ALA ( 9 ) C <> 129 LEU ( 129 ) CD1 D= 3.74 H-ene= -- Sym= (B-S) 231 9 ALA ( 9 ) CB <> 129 LEU ( 129 ) CD1 D= 3.91 H-ene= -- Sym= (S-S) 232 10 ALA ( 10 ) N <> 6 CYS ( 6 ) O D= 2.91 H-ene= 0.69 Sym= (B-B) 233 10 ALA ( 10 ) CB <> 6 CYS ( 6 ) O D= 3.47 H-ene= -- Sym= (S-B) 234 10 ALA ( 10 ) N <> 7 GLU ( 7 ) C D= 3.91 H-ene= -- Sym= (B-B) 235 10 ALA ( 10 ) N <> 7 GLU ( 7 ) O D= 3.52 H-ene= -- Sym= (B-B) 236 10 ALA ( 10 ) N <> 8 LEU ( 8 ) C D= 3.22 H-ene= -- Sym= (B-B) 237 10 ALA ( 10 ) N <> 8 LEU ( 8 ) O D= 3.32 H-ene= -- Sym= (B-B) 238 10 ALA ( 10 ) C <> 12 MET ( 12 ) N D= 3.29 H-ene= -- Sym= (B-B) 239 10 ALA ( 10 ) O <> 12 MET ( 12 ) N D= 3.42 H-ene= -- Sym= (B-B) 240 10 ALA ( 10 ) C <> 13 LYS ( 13 ) N D= 3.80 H-ene= -- Sym= (B-B) 241 10 ALA ( 10 ) O <> 13 LYS ( 13 ) N D= 3.31 H-ene= -- Sym= (B-B) 242 10 ALA ( 10 ) O <> 13 LYS ( 13 ) CB D= 3.58 H-ene= -- Sym= (B-S) 243 10 ALA ( 10 ) O <> 14 ARG ( 14 ) N D= 2.94 H-ene= 0.72 Sym= (B-B) 244 10 ALA ( 10 ) O <> 14 ARG ( 14 ) CB D= 3.45 H-ene= -- Sym= (B-S) 245 10 ALA ( 10 ) N <> 129 LEU ( 129 ) CD1 D= 3.49 H-ene= -- Sym= (B-S) 246 10 ALA ( 10 ) CA <> 129 LEU ( 129 ) CD1 D= 3.54 H-ene= -- Sym= (B-S) 247 10 ALA ( 10 ) CB <> 129 LEU ( 129 ) CD1 D= 3.98 H-ene= -- Sym= (S-S) 248 10 ALA ( 10 ) O <> 133 HOH (HOH ) 188 D= 2.98 H-ene= 0.79 Sym= (B-W) 249 10 ALA ( 10 ) CB <> 133 HOH (HOH ) 182 D= 3.40 H-ene= -- Sym= (S-W) 250 11 ALA ( 11 ) N <> 7 GLU ( 7 ) O D= 3.07 H-ene= 0.64 Sym= (B-B) 251 11 ALA ( 11 ) CB <> 7 GLU ( 7 ) O D= 3.51 H-ene= -- Sym= (S-B) 252 11 ALA ( 11 ) N <> 8 LEU ( 8 ) C D= 3.69 H-ene= -- Sym= (B-B) 253 11 ALA ( 11 ) N <> 8 LEU ( 8 ) O D= 3.11 H-ene= -- Sym= (B-B) 254 11 ALA ( 11 ) CA <> 8 LEU ( 8 ) O D= 3.59 H-ene= -- Sym= (B-B) 255 11 ALA ( 11 ) C <> 8 LEU ( 8 ) O D= 3.64 H-ene= -- Sym= (B-B) 256 11 ALA ( 11 ) CB <> 8 LEU ( 8 ) O D= 3.56 H-ene= -- Sym= (S-B) 257 11 ALA ( 11 ) N <> 9 ALA ( 9 ) C D= 3.31 H-ene= -- Sym= (B-B) 258 11 ALA ( 11 ) N <> 9 ALA ( 9 ) O D= 3.43 H-ene= -- Sym= (B-B) 259 11 ALA ( 11 ) C <> 13 LYS ( 13 ) N D= 3.28 H-ene= -- Sym= (B-B) 260 11 ALA ( 11 ) O <> 13 LYS ( 13 ) N D= 3.48 H-ene= -- Sym= (B-B) 261 11 ALA ( 11 ) C <> 14 ARG ( 14 ) N D= 3.82 H-ene= -- Sym= (B-B) 262 11 ALA ( 11 ) O <> 14 ARG ( 14 ) N D= 3.38 H-ene= -- Sym= (B-B) 263 11 ALA ( 11 ) O <> 14 ARG ( 14 ) CB D= 3.62 H-ene= -- Sym= (B-S) 264 11 ALA ( 11 ) C <> 15 HIS ( 15 ) ND1 D= 3.93 H-ene= -- Sym= (B-S) 265 11 ALA ( 11 ) O <> 15 HIS ( 15 ) N D= 3.04 H-ene= 0.46 Sym= (B-B) 266 11 ALA ( 11 ) O <> 15 HIS ( 15 ) CB D= 3.50 H-ene= -- Sym= (B-S) 267 11 ALA ( 11 ) O <> 15 HIS ( 15 ) CG D= 3.61 H-ene= -- Sym= (B-S) 268 11 ALA ( 11 ) O <> 15 HIS ( 15 ) ND1 D= 2.90 H-ene= 0.62 Sym= (B-S) 269 11 ALA ( 11 ) C <> 88 ILE ( 88 ) CD1 D= 4.00 H-ene= -- Sym= (B-S) 270 11 ALA ( 11 ) CB <> 88 ILE ( 88 ) CD1 D= 3.66 H-ene= -- Sym= (S-S) 271 12 MET ( 12 ) N <> 8 LEU ( 8 ) C D= 3.99 H-ene= -- Sym= (B-B) 272 12 MET ( 12 ) N <> 8 LEU ( 8 ) O D= 2.79 H-ene= 0.66 Sym= (B-B) 273 12 MET ( 12 ) CA <> 8 LEU ( 8 ) O D= 3.69 H-ene= -- Sym= (B-B) 274 12 MET ( 12 ) CB <> 8 LEU ( 8 ) O D= 3.43 H-ene= -- Sym= (S-B) 275 12 MET ( 12 ) CG <> 8 LEU ( 8 ) O D= 3.32 H-ene= -- Sym= (S-B) 276 12 MET ( 12 ) CG <> 8 LEU ( 8 ) CD1 D= 4.09 H-ene= -- Sym= (S-S) 277 12 MET ( 12 ) SD <> 8 LEU ( 8 ) CG D= 3.94 H-ene= -- Sym= (S-S) 278 12 MET ( 12 ) N <> 9 ALA ( 9 ) C D= 3.84 H-ene= -- Sym= (B-B) 279 12 MET ( 12 ) N <> 9 ALA ( 9 ) O D= 3.29 H-ene= -- Sym= (B-B) 280 12 MET ( 12 ) CB <> 9 ALA ( 9 ) O D= 3.70 H-ene= -- Sym= (S-B) 281 12 MET ( 12 ) N <> 10 ALA ( 10 ) C D= 3.29 H-ene= -- Sym= (B-B) 282 12 MET ( 12 ) N <> 10 ALA ( 10 ) O D= 3.42 H-ene= -- Sym= (B-B) 283 12 MET ( 12 ) C <> 14 ARG ( 14 ) N D= 3.29 H-ene= -- Sym= (B-B) 284 12 MET ( 12 ) O <> 14 ARG ( 14 ) N D= 3.47 H-ene= -- Sym= (B-B) 285 12 MET ( 12 ) C <> 15 HIS ( 15 ) N D= 3.64 H-ene= -- Sym= (B-B) 286 12 MET ( 12 ) O <> 15 HIS ( 15 ) N D= 3.11 H-ene= -- Sym= (B-B) 287 12 MET ( 12 ) O <> 15 HIS ( 15 ) CA D= 3.52 H-ene= -- Sym= (B-B) 288 12 MET ( 12 ) O <> 15 HIS ( 15 ) C D= 3.48 H-ene= -- Sym= (B-B) 289 12 MET ( 12 ) O <> 16 GLY ( 16 ) N D= 3.23 H-ene= -- Sym= (B-B) 290 12 MET ( 12 ) O <> 17 LEU ( 17 ) N D= 3.05 H-ene= 0.76 Sym= (B-B) 291 12 MET ( 12 ) O <> 17 LEU ( 17 ) CB D= 3.53 H-ene= -- Sym= (B-S) 292 12 MET ( 12 ) CG <> 17 LEU ( 17 ) CD1 D= 4.02 H-ene= -- Sym= (S-S) 293 12 MET ( 12 ) CB <> 25 LEU ( 25 ) CD1 D= 3.79 H-ene= -- Sym= (S-S) 294 12 MET ( 12 ) SD <> 28 TRP ( 28 ) C D= 3.98 H-ene= -- Sym= (S-B) 295 12 MET ( 12 ) SD <> 28 TRP ( 28 ) CB D= 3.68 H-ene= -- Sym= (S-S) 296 12 MET ( 12 ) CE <> 28 TRP ( 28 ) C D= 4.09 H-ene= -- Sym= (S-B) 297 12 MET ( 12 ) CE <> 28 TRP ( 28 ) O D= 3.68 H-ene= -- Sym= (S-B) 298 12 MET ( 12 ) CE <> 28 TRP ( 28 ) CB D= 4.03 H-ene= -- Sym= (S-S) 299 12 MET ( 12 ) SD <> 29 VAL ( 29 ) N D= 4.10 H-ene= -- Sym= (S-B) 300 12 MET ( 12 ) SD <> 29 VAL ( 29 ) CG2 D= 4.10 H-ene= -- Sym= (S-S) 301 13 LYS ( 13 ) N <> 9 ALA ( 9 ) O D= 2.91 H-ene= 0.64 Sym= (B-B) 302 13 LYS ( 13 ) CB <> 9 ALA ( 9 ) O D= 3.37 H-ene= -- Sym= (S-B) 303 13 LYS ( 13 ) N <> 10 ALA ( 10 ) C D= 3.80 H-ene= -- Sym= (B-B) 304 13 LYS ( 13 ) N <> 10 ALA ( 10 ) O D= 3.31 H-ene= -- Sym= (B-B) 305 13 LYS ( 13 ) CB <> 10 ALA ( 10 ) O D= 3.58 H-ene= -- Sym= (S-B) 306 13 LYS ( 13 ) N <> 11 ALA ( 11 ) C D= 3.28 H-ene= -- Sym= (B-B) 307 13 LYS ( 13 ) N <> 11 ALA ( 11 ) O D= 3.48 H-ene= -- Sym= (B-B) 308 13 LYS ( 13 ) C <> 15 HIS ( 15 ) N D= 3.12 H-ene= -- Sym= (B-B) 309 13 LYS ( 13 ) O <> 15 HIS ( 15 ) N D= 3.21 H-ene= -- Sym= (B-B) 310 13 LYS ( 13 ) C <> 16 GLY ( 16 ) N D= 3.67 H-ene= -- Sym= (B-B) 311 13 LYS ( 13 ) O <> 16 GLY ( 16 ) N D= 2.94 H-ene= 0.53 Sym= (B-B) 312 13 LYS ( 13 ) O <> 16 GLY ( 16 ) CA D= 3.56 H-ene= -- Sym= (B-B) 313 13 LYS ( 13 ) N <> 25 LEU ( 25 ) CD1 D= 3.85 H-ene= -- Sym= (B-S) 314 13 LYS ( 13 ) CB <> 25 LEU ( 25 ) CD2 D= 3.86 H-ene= -- Sym= (S-S) 315 13 LYS ( 13 ) CD <> 25 LEU ( 25 ) CD2 D= 3.97 H-ene= -- Sym= (S-S) 316 13 LYS ( 13 ) CD <> 129 LEU ( 129 ) CB D= 3.60 H-ene= -- Sym= (S-S) 317 13 LYS ( 13 ) CD <> 129 LEU ( 129 ) CG D= 3.88 H-ene= -- Sym= (S-S) 318 13 LYS ( 13 ) CE <> 129 LEU ( 129 ) CB D= 3.88 H-ene= -- Sym= (S-S) 319 13 LYS ( 13 ) NZ <> 129 LEU ( 129 ) C D= 3.47 H-ene= -- Sym= (S-B) 320 13 LYS ( 13 ) NZ <> 132 LEU ( OXT ) O2 D= 2.91 H-ene= -- Sym= (S-B) 321 13 LYS ( 13 ) CA <> 133 HOH (HOH ) 166 D= 3.42 H-ene= -- Sym= (B-W) 322 13 LYS ( 13 ) C <> 133 HOH (HOH ) 166 D= 3.46 H-ene= -- Sym= (B-W) 323 13 LYS ( 13 ) O <> 133 HOH (HOH ) 166 D= 2.72 H-ene= 0.95 Sym= (B-W) 324 14 ARG ( 14 ) N <> 10 ALA ( 10 ) O D= 2.94 H-ene= 0.72 Sym= (B-B) 325 14 ARG ( 14 ) CB <> 10 ALA ( 10 ) O D= 3.45 H-ene= -- Sym= (S-B) 326 14 ARG ( 14 ) N <> 11 ALA ( 11 ) C D= 3.82 H-ene= -- Sym= (B-B) 327 14 ARG ( 14 ) N <> 11 ALA ( 11 ) O D= 3.38 H-ene= -- Sym= (B-B) 328 14 ARG ( 14 ) CB <> 11 ALA ( 11 ) O D= 3.62 H-ene= -- Sym= (S-B) 329 14 ARG ( 14 ) N <> 12 MET ( 12 ) C D= 3.29 H-ene= -- Sym= (B-B) 330 14 ARG ( 14 ) N <> 12 MET ( 12 ) O D= 3.47 H-ene= -- Sym= (B-B) 331 14 ARG ( 14 ) C <> 16 GLY ( 16 ) N D= 3.20 H-ene= -- Sym= (B-B) 332 14 ARG ( 14 ) O <> 16 GLY ( 16 ) N D= 3.37 H-ene= -- Sym= (B-B) 333 14 ARG ( 14 ) CB <> 133 HOH (HOH ) 188 D= 3.46 H-ene= -- Sym= (S-W) 334 14 ARG ( 14 ) CG <> 133 HOH (HOH ) 188 D= 3.60 H-ene= -- Sym= (S-W) 335 14 ARG ( 14 ) CD <> 133 HOH (HOH ) 254 D= 3.02 H-ene= -- Sym= (S-W) 336 14 ARG ( 14 ) CZ <> 133 HOH (HOH ) 228 D= 3.65 H-ene= -- Sym= (S-W) 337 14 ARG ( 14 ) NH1 <> 133 HOH (HOH ) 254 D= 3.35 H-ene= 0.83 Sym= (S-W) 338 14 ARG ( 14 ) NH2 <> 133 HOH (HOH ) 228 D= 2.69 H-ene= 0.63 Sym= (S-W) 339 15 HIS ( 15 ) N <> 11 ALA ( 11 ) O D= 3.04 H-ene= 0.46 Sym= (B-B) 340 15 HIS ( 15 ) CB <> 11 ALA ( 11 ) O D= 3.50 H-ene= -- Sym= (S-B) 341 15 HIS ( 15 ) CG <> 11 ALA ( 11 ) O D= 3.61 H-ene= -- Sym= (S-B) 342 15 HIS ( 15 ) ND1 <> 11 ALA ( 11 ) C D= 3.93 H-ene= -- Sym= (S-B) 343 15 HIS ( 15 ) ND1 <> 11 ALA ( 11 ) O D= 2.90 H-ene= 0.62 Sym= (S-B) 344 15 HIS ( 15 ) N <> 12 MET ( 12 ) C D= 3.64 H-ene= -- Sym= (B-B) 345 15 HIS ( 15 ) N <> 12 MET ( 12 ) O D= 3.11 H-ene= -- Sym= (B-B) 346 15 HIS ( 15 ) CA <> 12 MET ( 12 ) O D= 3.52 H-ene= -- Sym= (B-B) 347 15 HIS ( 15 ) C <> 12 MET ( 12 ) O D= 3.48 H-ene= -- Sym= (B-B) 348 15 HIS ( 15 ) N <> 13 LYS ( 13 ) C D= 3.12 H-ene= -- Sym= (B-B) 349 15 HIS ( 15 ) N <> 13 LYS ( 13 ) O D= 3.21 H-ene= -- Sym= (B-B) 350 15 HIS ( 15 ) C <> 17 LEU ( 17 ) N D= 3.48 H-ene= -- Sym= (B-B) 351 15 HIS ( 15 ) CD2 <> 89 THR ( 89 ) CA D= 4.07 H-ene= -- Sym= (S-B) 352 15 HIS ( 15 ) CD2 <> 89 THR ( 89 ) OG1 D= 3.60 H-ene= -- Sym= (S-S) 353 15 HIS ( 15 ) CE1 <> 89 THR ( 89 ) OG1 D= 3.69 H-ene= -- Sym= (S-S) 354 15 HIS ( 15 ) NE2 <> 89 THR ( 89 ) CA D= 3.92 H-ene= -- Sym= (S-B) 355 15 HIS ( 15 ) NE2 <> 89 THR ( 89 ) CB D= 3.81 H-ene= -- Sym= (S-S) 356 15 HIS ( 15 ) NE2 <> 89 THR ( 89 ) OG1 D= 2.81 H-ene= 0.67 Sym= (S-S) 357 15 HIS ( 15 ) CB <> 92 VAL ( 92 ) CG1 D= 3.74 H-ene= -- Sym= (S-S) 358 15 HIS ( 15 ) C <> 96 LYS ( 96 ) NZ D= 3.89 H-ene= -- Sym= (B-S) 359 15 HIS ( 15 ) O <> 96 LYS ( 96 ) CE D= 3.33 H-ene= -- Sym= (B-S) 360 15 HIS ( 15 ) O <> 96 LYS ( 96 ) NZ D= 2.70 H-ene= 0.54 Sym= (B-S) 361 15 HIS ( 15 ) CA <> 133 HOH (HOH ) 247 D= 3.55 H-ene= -- Sym= (B-W) 362 15 HIS ( 15 ) C <> 133 HOH (HOH ) 247 D= 3.68 H-ene= -- Sym= (B-W) 363 15 HIS ( 15 ) CD2 <> 133 HOH (HOH ) 247 D= 3.60 H-ene= -- Sym= (S-W) 364 15 HIS ( 15 ) CD2 <> 133 HOH (HOH ) 258 D= 2.89 H-ene= -- Sym= (S-W) 365 15 HIS ( 15 ) CE1 <> 133 HOH (HOH ) 228 D= 3.23 H-ene= -- Sym= (S-W) 366 15 HIS ( 15 ) NE2 <> 133 HOH (HOH ) 228 D= 3.58 H-ene= -- Sym= (S-W) 367 15 HIS ( 15 ) NE2 <> 133 HOH (HOH ) 258 D= 3.37 H-ene= 0.23 Sym= (S-W) 368 15 HIS ( 15 ) NE2 <> 133 HOH (HOH ) 259 D= 3.54 H-ene= 0.57 Sym= (S-W) 369 16 GLY ( 16 ) N <> 12 MET ( 12 ) O D= 3.23 H-ene= -- Sym= (B-B) 370 16 GLY ( 16 ) N <> 13 LYS ( 13 ) C D= 3.67 H-ene= -- Sym= (B-B) 371 16 GLY ( 16 ) N <> 13 LYS ( 13 ) O D= 2.94 H-ene= 0.53 Sym= (B-B) 372 16 GLY ( 16 ) CA <> 13 LYS ( 13 ) O D= 3.56 H-ene= -- Sym= (B-B) 373 16 GLY ( 16 ) N <> 14 ARG ( 14 ) C D= 3.20 H-ene= -- Sym= (B-B) 374 16 GLY ( 16 ) N <> 14 ARG ( 14 ) O D= 3.37 H-ene= -- Sym= (B-B) 375 16 GLY ( 16 ) C <> 18 ASP ( 18 ) N D= 3.44 H-ene= -- Sym= (B-B) 376 16 GLY ( 16 ) O <> 20 TYR ( 20 ) CB D= 3.61 H-ene= -- Sym= (B-S) 377 16 GLY ( 16 ) CA <> 133 HOH (HOH ) 166 D= 3.37 H-ene= -- Sym= (B-W) 378 16 GLY ( 16 ) C <> 133 HOH (HOH ) 166 D= 3.36 H-ene= -- Sym= (B-W) 379 17 LEU ( 17 ) N <> 12 MET ( 12 ) O D= 3.05 H-ene= 0.76 Sym= (B-B) 380 17 LEU ( 17 ) CB <> 12 MET ( 12 ) O D= 3.53 H-ene= -- Sym= (S-B) 381 17 LEU ( 17 ) CD1 <> 12 MET ( 12 ) CG D= 4.02 H-ene= -- Sym= (S-S) 382 17 LEU ( 17 ) N <> 15 HIS ( 15 ) C D= 3.48 H-ene= -- Sym= (B-B) 383 17 LEU ( 17 ) C <> 19 ASN ( 19 ) N D= 3.54 H-ene= -- Sym= (B-B) 384 17 LEU ( 17 ) O <> 19 ASN ( 19 ) N D= 2.96 H-ene= -- Sym= (B-B) 385 17 LEU ( 17 ) CA <> 20 TYR ( 20 ) CB D= 3.90 H-ene= -- Sym= (B-S) 386 17 LEU ( 17 ) C <> 20 TYR ( 20 ) N D= 3.73 H-ene= -- Sym= (B-B) 387 17 LEU ( 17 ) C <> 20 TYR ( 20 ) CB D= 3.91 H-ene= -- Sym= (B-S) 388 17 LEU ( 17 ) O <> 20 TYR ( 20 ) N D= 2.96 H-ene= 0.71 Sym= (B-B) 389 17 LEU ( 17 ) O <> 20 TYR ( 20 ) CB D= 3.42 H-ene= -- Sym= (B-S) 390 17 LEU ( 17 ) O <> 28 TRP ( 28 ) CD1 D= 3.40 H-ene= -- Sym= (B-S) 391 17 LEU ( 17 ) O <> 28 TRP ( 28 ) NE1 D= 3.10 H-ene= 0.17 Sym= (B-S) 392 17 LEU ( 17 ) CB <> 28 TRP ( 28 ) CD1 D= 4.10 H-ene= -- Sym= (S-S) 393 17 LEU ( 17 ) CD1 <> 28 TRP ( 28 ) CD2 D= 4.01 H-ene= -- Sym= (S-S) 394 17 LEU ( 17 ) CD1 <> 28 TRP ( 28 ) CE3 D= 4.07 H-ene= -- Sym= (S-S) 395 17 LEU ( 17 ) CD2 <> 28 TRP ( 28 ) CE2 D= 4.08 H-ene= -- Sym= (S-S) 396 17 LEU ( 17 ) CD2 <> 28 TRP ( 28 ) CZ2 D= 4.10 H-ene= -- Sym= (S-S) 397 17 LEU ( 17 ) CG <> 92 VAL ( 92 ) CG1 D= 3.63 H-ene= -- Sym= (S-S) 398 17 LEU ( 17 ) CD1 <> 92 VAL ( 92 ) CG1 D= 3.96 H-ene= -- Sym= (S-S) 399 17 LEU ( 17 ) CD1 <> 92 VAL ( 92 ) CG2 D= 3.95 H-ene= -- Sym= (S-S) 400 17 LEU ( 17 ) CD2 <> 92 VAL ( 92 ) CG1 D= 3.92 H-ene= -- Sym= (S-S) 401 17 LEU ( 17 ) CD2 <> 96 LYS ( 96 ) CG D= 4.00 H-ene= -- Sym= (S-S) 402 17 LEU ( 17 ) CD2 <> 96 LYS ( 96 ) CE D= 4.09 H-ene= -- Sym= (S-S) 403 17 LEU ( 17 ) N <> 133 HOH (HOH ) 166 D= 3.37 H-ene= -- Sym= (B-W) 404 18 ASP ( 18 ) N <> 16 GLY ( 16 ) C D= 3.44 H-ene= -- Sym= (B-B) 405 18 ASP ( 18 ) C <> 20 TYR ( 20 ) N D= 3.18 H-ene= -- Sym= (B-B) 406 18 ASP ( 18 ) O <> 20 TYR ( 20 ) N D= 3.28 H-ene= -- Sym= (B-B) 407 18 ASP ( 18 ) N <> 25 LEU ( 25 ) CD1 D= 3.99 H-ene= -- Sym= (B-S) 408 18 ASP ( 18 ) CA <> 25 LEU ( 25 ) CD1 D= 4.05 H-ene= -- Sym= (B-S) 409 18 ASP ( 18 ) CB <> 25 LEU ( 25 ) CB D= 4.08 H-ene= -- Sym= (S-S) 410 18 ASP ( 18 ) CB <> 25 LEU ( 25 ) CD1 D= 4.04 H-ene= -- Sym= (S-S) 411 18 ASP ( 18 ) CG <> 25 LEU ( 25 ) N D= 3.98 H-ene= -- Sym= (S-B) 412 18 ASP ( 18 ) CG <> 25 LEU ( 25 ) CB D= 3.84 H-ene= -- Sym= (S-S) 413 18 ASP ( 18 ) OD1 <> 25 LEU ( 25 ) N D= 2.99 H-ene= 0.53 Sym= (S-B) 414 18 ASP ( 18 ) OD1 <> 25 LEU ( 25 ) CB D= 3.50 H-ene= -- Sym= (S-S) 415 18 ASP ( 18 ) N <> 133 HOH (HOH ) 166 D= 2.79 H-ene= 0.65 Sym= (B-W) 416 18 ASP ( 18 ) CA <> 133 HOH (HOH ) 166 D= 3.39 H-ene= -- Sym= (B-W) 417 18 ASP ( 18 ) O <> 133 HOH (HOH ) 214 D= 3.00 H-ene= 0.73 Sym= (B-W) 418 18 ASP ( 18 ) CB <> 133 HOH (HOH ) 166 D= 3.05 H-ene= -- Sym= (S-W) 419 19 ASN ( 19 ) N <> 17 LEU ( 17 ) C D= 3.54 H-ene= -- Sym= (B-B) 420 19 ASN ( 19 ) N <> 17 LEU ( 17 ) O D= 2.96 H-ene= -- Sym= (B-B) 421 19 ASN ( 19 ) C <> 21 ARG ( 21 ) N D= 3.65 H-ene= -- Sym= (B-B) 422 19 ASN ( 19 ) O <> 21 ARG ( 21 ) N D= 3.15 H-ene= -- Sym= (B-B) 423 19 ASN ( 19 ) C <> 22 GLY ( 22 ) N D= 3.66 H-ene= -- Sym= (B-B) 424 19 ASN ( 19 ) O <> 22 GLY ( 22 ) N D= 2.94 H-ene= 0.52 Sym= (B-B) 425 19 ASN ( 19 ) O <> 22 GLY ( 22 ) CA D= 3.57 H-ene= -- Sym= (B-B) 426 19 ASN ( 19 ) N <> 23 TYR ( 23 ) C D= 3.68 H-ene= -- Sym= (B-B) 427 19 ASN ( 19 ) N <> 23 TYR ( 23 ) O D= 2.83 H-ene= 0.45 Sym= (B-B) 428 19 ASN ( 19 ) CA <> 23 TYR ( 23 ) N D= 3.96 H-ene= -- Sym= (B-B) 429 19 ASN ( 19 ) CA <> 23 TYR ( 23 ) C D= 3.64 H-ene= -- Sym= (B-B) 430 19 ASN ( 19 ) CA <> 23 TYR ( 23 ) O D= 3.11 H-ene= -- Sym= (B-B) 431 19 ASN ( 19 ) C <> 23 TYR ( 23 ) N D= 3.80 H-ene= -- Sym= (B-B) 432 19 ASN ( 19 ) C <> 23 TYR ( 23 ) O D= 3.62 H-ene= -- Sym= (B-B) 433 19 ASN ( 19 ) N <> 24 SER ( 24 ) CA D= 3.83 H-ene= -- Sym= (B-B) 434 19 ASN ( 19 ) CA <> 133 HOH (HOH ) 244 D= 3.08 H-ene= -- Sym= (B-W) 435 19 ASN ( 19 ) C <> 133 HOH (HOH ) 214 D= 3.55 H-ene= -- Sym= (B-W) 436 19 ASN ( 19 ) CB <> 133 HOH (HOH ) 244 D= 2.97 H-ene= -- Sym= (S-W) 437 19 ASN ( 19 ) CG <> 133 HOH (HOH ) 244 D= 3.18 H-ene= -- Sym= (S-W) 438 19 ASN ( 19 ) OD1 <> 133 HOH (HOH ) 244 D= 2.66 H-ene= 0.75 Sym= (S-W) 439 20 TYR ( 20 ) CB <> 16 GLY ( 16 ) O D= 3.61 H-ene= -- Sym= (S-B) 440 20 TYR ( 20 ) N <> 17 LEU ( 17 ) C D= 3.73 H-ene= -- Sym= (B-B) 441 20 TYR ( 20 ) N <> 17 LEU ( 17 ) O D= 2.96 H-ene= 0.71 Sym= (B-B) 442 20 TYR ( 20 ) CB <> 17 LEU ( 17 ) CA D= 3.90 H-ene= -- Sym= (S-B) 443 20 TYR ( 20 ) CB <> 17 LEU ( 17 ) C D= 3.91 H-ene= -- Sym= (S-B) 444 20 TYR ( 20 ) CB <> 17 LEU ( 17 ) O D= 3.42 H-ene= -- Sym= (S-B) 445 20 TYR ( 20 ) N <> 18 ASP ( 18 ) C D= 3.18 H-ene= -- Sym= (B-B) 446 20 TYR ( 20 ) N <> 18 ASP ( 18 ) O D= 3.28 H-ene= -- Sym= (B-B) 447 20 TYR ( 20 ) C <> 22 GLY ( 22 ) N D= 3.04 H-ene= -- Sym= (B-B) 448 20 TYR ( 20 ) O <> 22 GLY ( 22 ) N D= 3.12 H-ene= -- Sym= (B-B) 449 20 TYR ( 20 ) N <> 23 TYR ( 23 ) O D= 3.53 H-ene= -- Sym= (B-B) 450 20 TYR ( 20 ) C <> 23 TYR ( 23 ) N D= 3.80 H-ene= -- Sym= (B-B) 451 20 TYR ( 20 ) O <> 23 TYR ( 23 ) N D= 3.04 H-ene= 0.67 Sym= (B-B) 452 20 TYR ( 20 ) O <> 23 TYR ( 23 ) CB D= 3.63 H-ene= -- Sym= (B-S) 453 20 TYR ( 20 ) O <> 23 TYR ( 23 ) CD2 D= 3.62 H-ene= -- Sym= (B-S) 454 20 TYR ( 20 ) CD2 <> 96 LYS ( 96 ) CG D= 4.06 H-ene= -- Sym= (S-S) 455 20 TYR ( 20 ) CE1 <> 96 LYS ( 96 ) CG D= 4.02 H-ene= -- Sym= (S-S) 456 20 TYR ( 20 ) CE1 <> 96 LYS ( 96 ) CD D= 3.91 H-ene= -- Sym= (S-S) 457 20 TYR ( 20 ) CE2 <> 96 LYS ( 96 ) CA D= 3.77 H-ene= -- Sym= (S-B) 458 20 TYR ( 20 ) CE2 <> 96 LYS ( 96 ) O D= 3.65 H-ene= -- Sym= (S-B) 459 20 TYR ( 20 ) CE2 <> 96 LYS ( 96 ) CB D= 3.71 H-ene= -- Sym= (S-S) 460 20 TYR ( 20 ) CE2 <> 96 LYS ( 96 ) CG D= 3.81 H-ene= -- Sym= (S-S) 461 20 TYR ( 20 ) CZ <> 96 LYS ( 96 ) CB D= 3.71 H-ene= -- Sym= (S-S) 462 20 TYR ( 20 ) CZ <> 96 LYS ( 96 ) CG D= 3.77 H-ene= -- Sym= (S-S) 463 20 TYR ( 20 ) CZ <> 96 LYS ( 96 ) CD D= 4.06 H-ene= -- Sym= (S-S) 464 20 TYR ( 20 ) CD2 <> 99 VAL ( 99 ) CG1 D= 3.63 H-ene= -- Sym= (S-S) 465 20 TYR ( 20 ) CE2 <> 99 VAL ( 99 ) CG1 D= 3.61 H-ene= -- Sym= (S-S) 466 20 TYR ( 20 ) N <> 133 HOH (HOH ) 214 D= 3.37 H-ene= -- Sym= (B-W) 467 20 TYR ( 20 ) CA <> 133 HOH (HOH ) 214 D= 3.42 H-ene= -- Sym= (B-W) 468 20 TYR ( 20 ) CD1 <> 133 HOH (HOH ) 269 D= 3.27 H-ene= -- Sym= (S-W) 469 20 TYR ( 20 ) CE1 <> 133 HOH (HOH ) 253 D= 3.47 H-ene= -- Sym= (S-W) 470 20 TYR ( 20 ) CE1 <> 133 HOH (HOH ) 256 D= 3.67 H-ene= -- Sym= (S-W) 471 20 TYR ( 20 ) CE1 <> 133 HOH (HOH ) 269 D= 3.49 H-ene= -- Sym= (S-W) 472 20 TYR ( 20 ) OH <> 133 HOH (HOH ) 252 D= 3.29 H-ene= 0.85 Sym= (S-W) 473 20 TYR ( 20 ) OH <> 133 HOH (HOH ) 253 D= 3.15 H-ene= 0.90 Sym= (S-W) 474 21 ARG ( 21 ) N <> 19 ASN ( 19 ) C D= 3.65 H-ene= -- Sym= (B-B) 475 21 ARG ( 21 ) N <> 19 ASN ( 19 ) O D= 3.15 H-ene= -- Sym= (B-B) 476 21 ARG ( 21 ) C <> 23 TYR ( 23 ) N D= 3.34 H-ene= -- Sym= (B-B) 477 21 ARG ( 21 ) C <> 23 TYR ( 23 ) CD2 D= 3.96 H-ene= -- Sym= (B-S) 478 21 ARG ( 21 ) O <> 23 TYR ( 23 ) N D= 3.54 H-ene= -- Sym= (B-B) 479 21 ARG ( 21 ) O <> 23 TYR ( 23 ) CD2 D= 3.39 H-ene= -- Sym= (B-S) 480 21 ARG ( 21 ) O <> 23 TYR ( 23 ) CE2 D= 3.60 H-ene= -- Sym= (B-S) 481 21 ARG ( 21 ) CG <> 99 VAL ( 99 ) CG1 D= 3.85 H-ene= -- Sym= (S-S) 482 21 ARG ( 21 ) NE <> 100 SER ( 100 ) CB D= 3.97 H-ene= -- Sym= (S-S) 483 21 ARG ( 21 ) NE <> 100 SER ( 100 ) OG D= 3.00 H-ene= -- Sym= (S-S) 484 21 ARG ( 21 ) CZ <> 100 SER ( 100 ) CB D= 3.66 H-ene= -- Sym= (S-S) 485 21 ARG ( 21 ) CZ <> 100 SER ( 100 ) OG D= 3.03 H-ene= -- Sym= (S-S) 486 21 ARG ( 21 ) NH1 <> 100 SER ( 100 ) CB D= 3.78 H-ene= -- Sym= (S-S) 487 21 ARG ( 21 ) NH2 <> 100 SER ( 100 ) CB D= 3.86 H-ene= -- Sym= (S-S) 488 21 ARG ( 21 ) NH2 <> 100 SER ( 100 ) OG D= 3.22 H-ene= -- Sym= (S-S) 489 21 ARG ( 21 ) N <> 133 HOH (HOH ) 222 D= 2.98 H-ene= 0.88 Sym= (B-W) 490 21 ARG ( 21 ) O <> 133 HOH (HOH ) 141 D= 2.83 H-ene= 0.90 Sym= (B-W) 491 21 ARG ( 21 ) CD <> 133 HOH (HOH ) 270 D= 3.45 H-ene= -- Sym= (S-W) 492 21 ARG ( 21 ) NH1 <> 133 HOH (HOH ) 270 D= 2.78 H-ene= 0.66 Sym= (S-W) 493 22 GLY ( 22 ) N <> 19 ASN ( 19 ) C D= 3.66 H-ene= -- Sym= (B-B) 494 22 GLY ( 22 ) N <> 19 ASN ( 19 ) O D= 2.94 H-ene= 0.52 Sym= (B-B) 495 22 GLY ( 22 ) CA <> 19 ASN ( 19 ) O D= 3.57 H-ene= -- Sym= (B-B) 496 22 GLY ( 22 ) N <> 20 TYR ( 20 ) C D= 3.04 H-ene= -- Sym= (B-B) 497 22 GLY ( 22 ) N <> 20 TYR ( 20 ) O D= 3.12 H-ene= -- Sym= (B-B) 498 22 GLY ( 22 ) C <> 24 SER ( 24 ) N D= 3.86 H-ene= -- Sym= (B-B) 499 22 GLY ( 22 ) CA <> 133 HOH (HOH ) 244 D= 3.18 H-ene= -- Sym= (B-W) 500 22 GLY ( 22 ) C <> 133 HOH (HOH ) 244 D= 2.96 H-ene= -- Sym= (B-W) 501 22 GLY ( 22 ) O <> 133 HOH (HOH ) 170 D= 2.97 H-ene= 0.91 Sym= (B-W) 502 22 GLY ( 22 ) O <> 133 HOH (HOH ) 244 D= 2.98 H-ene= -- Sym= (B-W) 503 23 TYR ( 23 ) N <> 19 ASN ( 19 ) CA D= 3.96 H-ene= -- Sym= (B-B) 504 23 TYR ( 23 ) N <> 19 ASN ( 19 ) C D= 3.80 H-ene= -- Sym= (B-B) 505 23 TYR ( 23 ) C <> 19 ASN ( 19 ) N D= 3.68 H-ene= -- Sym= (B-B) 506 23 TYR ( 23 ) C <> 19 ASN ( 19 ) CA D= 3.64 H-ene= -- Sym= (B-B) 507 23 TYR ( 23 ) O <> 19 ASN ( 19 ) N D= 2.83 H-ene= 0.45 Sym= (B-B) 508 23 TYR ( 23 ) O <> 19 ASN ( 19 ) CA D= 3.11 H-ene= -- Sym= (B-B) 509 23 TYR ( 23 ) O <> 19 ASN ( 19 ) C D= 3.62 H-ene= -- Sym= (B-B) 510 23 TYR ( 23 ) N <> 20 TYR ( 20 ) C D= 3.80 H-ene= -- Sym= (B-B) 511 23 TYR ( 23 ) N <> 20 TYR ( 20 ) O D= 3.04 H-ene= 0.67 Sym= (B-B) 512 23 TYR ( 23 ) O <> 20 TYR ( 20 ) N D= 3.53 H-ene= -- Sym= (B-B) 513 23 TYR ( 23 ) CB <> 20 TYR ( 20 ) O D= 3.63 H-ene= -- Sym= (S-B) 514 23 TYR ( 23 ) CD2 <> 20 TYR ( 20 ) O D= 3.62 H-ene= -- Sym= (S-B) 515 23 TYR ( 23 ) N <> 21 ARG ( 21 ) C D= 3.34 H-ene= -- Sym= (B-B) 516 23 TYR ( 23 ) N <> 21 ARG ( 21 ) O D= 3.54 H-ene= -- Sym= (B-B) 517 23 TYR ( 23 ) CD2 <> 21 ARG ( 21 ) C D= 3.96 H-ene= -- Sym= (S-B) 518 23 TYR ( 23 ) CD2 <> 21 ARG ( 21 ) O D= 3.39 H-ene= -- Sym= (S-B) 519 23 TYR ( 23 ) CE2 <> 21 ARG ( 21 ) O D= 3.60 H-ene= -- Sym= (S-B) 520 23 TYR ( 23 ) C <> 28 TRP ( 28 ) NE1 D= 3.97 H-ene= -- Sym= (B-S) 521 23 TYR ( 23 ) O <> 28 TRP ( 28 ) CD1 D= 3.57 H-ene= -- Sym= (B-S) 522 23 TYR ( 23 ) O <> 28 TRP ( 28 ) NE1 D= 3.18 H-ene= 0.41 Sym= (B-S) 523 23 TYR ( 23 ) CB <> 28 TRP ( 28 ) NE1 D= 3.54 H-ene= -- Sym= (S-S) 524 23 TYR ( 23 ) CB <> 28 TRP ( 28 ) CE2 D= 4.06 H-ene= -- Sym= (S-S) 525 23 TYR ( 23 ) CD2 <> 99 VAL ( 99 ) CG2 D= 3.85 H-ene= -- Sym= (S-S) 526 23 TYR ( 23 ) CE2 <> 99 VAL ( 99 ) CG2 D= 3.67 H-ene= -- Sym= (S-S) 527 23 TYR ( 23 ) OH <> 104 GLY ( 104 ) CA D= 3.41 H-ene= -- Sym= (S-B) 528 23 TYR ( 23 ) CB <> 105 MET ( 105 ) SD D= 3.83 H-ene= -- Sym= (S-S) 529 23 TYR ( 23 ) CG <> 105 MET ( 105 ) CG D= 3.76 H-ene= -- Sym= (S-S) 530 23 TYR ( 23 ) CG <> 105 MET ( 105 ) SD D= 3.59 H-ene= -- Sym= (S-S) 531 23 TYR ( 23 ) CD1 <> 105 MET ( 105 ) CB D= 4.07 H-ene= -- Sym= (S-S) 532 23 TYR ( 23 ) CD1 <> 105 MET ( 105 ) CG D= 3.59 H-ene= -- Sym= (S-S) 533 23 TYR ( 23 ) CD1 <> 105 MET ( 105 ) SD D= 3.38 H-ene= -- Sym= (S-S) 534 23 TYR ( 23 ) CD2 <> 105 MET ( 105 ) CG D= 3.93 H-ene= -- Sym= (S-S) 535 23 TYR ( 23 ) CE1 <> 105 MET ( 105 ) CB D= 3.63 H-ene= -- Sym= (S-S) 536 23 TYR ( 23 ) CE1 <> 105 MET ( 105 ) CG D= 3.60 H-ene= -- Sym= (S-S) 537 23 TYR ( 23 ) CE1 <> 105 MET ( 105 ) SD D= 3.97 H-ene= -- Sym= (S-S) 538 23 TYR ( 23 ) CE2 <> 105 MET ( 105 ) N D= 3.92 H-ene= -- Sym= (S-B) 539 23 TYR ( 23 ) CE2 <> 105 MET ( 105 ) CG D= 3.95 H-ene= -- Sym= (S-S) 540 23 TYR ( 23 ) CZ <> 105 MET ( 105 ) N D= 3.45 H-ene= -- Sym= (S-B) 541 23 TYR ( 23 ) CZ <> 105 MET ( 105 ) CB D= 3.86 H-ene= -- Sym= (S-S) 542 23 TYR ( 23 ) CZ <> 105 MET ( 105 ) CG D= 3.78 H-ene= -- Sym= (S-S) 543 23 TYR ( 23 ) OH <> 105 MET ( 105 ) N D= 3.04 H-ene= 0.94 Sym= (S-B) 544 23 TYR ( 23 ) CE1 <> 111 TRP ( 111 ) CZ2 D= 3.80 H-ene= -- Sym= (S-S) 545 23 TYR ( 23 ) CE1 <> 111 TRP ( 111 ) CH2 D= 3.90 H-ene= -- Sym= (S-S) 546 23 TYR ( 23 ) CE2 <> 130 CL ( 130 ) CL D= 3.70 H-ene= -- Sym= (S-B) 547 23 TYR ( 23 ) CZ <> 130 CL ( 130 ) CL D= 3.68 H-ene= -- Sym= (S-B) 548 23 TYR ( 23 ) OH <> 130 CL ( 130 ) CL D= 3.02 H-ene= -- Sym= (S-B) 549 23 TYR ( 23 ) N <> 133 HOH (HOH ) 244 D= 3.59 H-ene= -- Sym= (B-W) 550 24 SER ( 24 ) CA <> 19 ASN ( 19 ) N D= 3.83 H-ene= -- Sym= (B-B) 551 24 SER ( 24 ) N <> 22 GLY ( 22 ) C D= 3.86 H-ene= -- Sym= (B-B) 552 24 SER ( 24 ) C <> 26 GLY ( 26 ) N D= 3.19 H-ene= -- Sym= (B-B) 553 24 SER ( 24 ) O <> 26 GLY ( 26 ) N D= 3.13 H-ene= -- Sym= (B-B) 554 24 SER ( 24 ) N <> 27 ASN ( 27 ) ND2 D= 3.50 H-ene= -- Sym= (B-S) 555 24 SER ( 24 ) C <> 27 ASN ( 27 ) N D= 3.86 H-ene= -- Sym= (B-B) 556 24 SER ( 24 ) O <> 27 ASN ( 27 ) N D= 2.92 H-ene= 0.48 Sym= (B-B) 557 24 SER ( 24 ) O <> 27 ASN ( 27 ) CA D= 3.59 H-ene= -- Sym= (B-B) 558 24 SER ( 24 ) O <> 27 ASN ( 27 ) CB D= 3.27 H-ene= -- Sym= (B-S) 559 24 SER ( 24 ) O <> 27 ASN ( 27 ) ND2 D= 3.47 H-ene= 0.38 Sym= (B-S) 560 24 SER ( 24 ) OG <> 27 ASN ( 27 ) ND2 D= 3.04 H-ene= 0.48 Sym= (S-S) 561 24 SER ( 24 ) C <> 28 TRP ( 28 ) CD1 D= 4.08 H-ene= -- Sym= (B-S) 562 24 SER ( 24 ) O <> 28 TRP ( 28 ) CD1 D= 3.46 H-ene= -- Sym= (B-S) 563 24 SER ( 24 ) CB <> 133 HOH (HOH ) 143 D= 3.56 H-ene= -- Sym= (S-W) 564 24 SER ( 24 ) OG <> 133 HOH (HOH ) 143 D= 3.20 H-ene= 0.90 Sym= (S-W) 565 24 SER ( 24 ) OG <> 133 HOH (HOH ) 241 D= 2.96 H-ene= 0.97 Sym= (S-W) 566 25 LEU ( 25 ) CD2 <> 9 ALA ( 9 ) O D= 3.60 H-ene= -- Sym= (S-B) 567 25 LEU ( 25 ) CD1 <> 12 MET ( 12 ) CB D= 3.79 H-ene= -- Sym= (S-S) 568 25 LEU ( 25 ) CD1 <> 13 LYS ( 13 ) N D= 3.85 H-ene= -- Sym= (S-B) 569 25 LEU ( 25 ) CD2 <> 13 LYS ( 13 ) CB D= 3.86 H-ene= -- Sym= (S-S) 570 25 LEU ( 25 ) CD2 <> 13 LYS ( 13 ) CD D= 3.97 H-ene= -- Sym= (S-S) 571 25 LEU ( 25 ) N <> 18 ASP ( 18 ) CG D= 3.98 H-ene= -- Sym= (B-S) 572 25 LEU ( 25 ) N <> 18 ASP ( 18 ) OD1 D= 2.99 H-ene= 0.53 Sym= (B-S) 573 25 LEU ( 25 ) CB <> 18 ASP ( 18 ) CB D= 4.08 H-ene= -- Sym= (S-S) 574 25 LEU ( 25 ) CB <> 18 ASP ( 18 ) CG D= 3.84 H-ene= -- Sym= (S-S) 575 25 LEU ( 25 ) CB <> 18 ASP ( 18 ) OD1 D= 3.50 H-ene= -- Sym= (S-S) 576 25 LEU ( 25 ) CD1 <> 18 ASP ( 18 ) N D= 3.99 H-ene= -- Sym= (S-B) 577 25 LEU ( 25 ) CD1 <> 18 ASP ( 18 ) CA D= 4.05 H-ene= -- Sym= (S-B) 578 25 LEU ( 25 ) CD1 <> 18 ASP ( 18 ) CB D= 4.04 H-ene= -- Sym= (S-S) 579 25 LEU ( 25 ) C <> 27 ASN ( 27 ) N D= 3.11 H-ene= -- Sym= (B-B) 580 25 LEU ( 25 ) O <> 27 ASN ( 27 ) N D= 3.13 H-ene= -- Sym= (B-B) 581 25 LEU ( 25 ) C <> 28 TRP ( 28 ) N D= 3.81 H-ene= -- Sym= (B-B) 582 25 LEU ( 25 ) O <> 28 TRP ( 28 ) N D= 3.05 H-ene= 0.12 Sym= (B-B) 583 25 LEU ( 25 ) O <> 28 TRP ( 28 ) CA D= 3.62 H-ene= -- Sym= (B-B) 584 25 LEU ( 25 ) O <> 28 TRP ( 28 ) CB D= 3.56 H-ene= -- Sym= (B-S) 585 25 LEU ( 25 ) O <> 29 VAL ( 29 ) N D= 3.06 H-ene= 0.73 Sym= (B-B) 586 25 LEU ( 25 ) O <> 29 VAL ( 29 ) CG2 D= 3.47 H-ene= -- Sym= (B-S) 587 25 LEU ( 25 ) CD2 <> 129 LEU ( 129 ) CG D= 4.09 H-ene= -- Sym= (S-S) 588 26 GLY ( 26 ) N <> 24 SER ( 24 ) C D= 3.19 H-ene= -- Sym= (B-B) 589 26 GLY ( 26 ) N <> 24 SER ( 24 ) O D= 3.13 H-ene= -- Sym= (B-B) 590 26 GLY ( 26 ) C <> 28 TRP ( 28 ) N D= 3.31 H-ene= -- Sym= (B-B) 591 26 GLY ( 26 ) O <> 28 TRP ( 28 ) N D= 3.50 H-ene= -- Sym= (B-B) 592 26 GLY ( 26 ) C <> 29 VAL ( 29 ) N D= 3.87 H-ene= -- Sym= (B-B) 593 26 GLY ( 26 ) O <> 29 VAL ( 29 ) N D= 3.48 H-ene= -- Sym= (B-B) 594 26 GLY ( 26 ) O <> 30 CYS ( 30 ) N D= 2.92 H-ene= 0.63 Sym= (B-B) 595 26 GLY ( 26 ) O <> 30 CYS ( 30 ) CA D= 3.66 H-ene= -- Sym= (B-B) 596 26 GLY ( 26 ) O <> 30 CYS ( 30 ) CB D= 3.20 H-ene= -- Sym= (B-S) 597 26 GLY ( 26 ) CA <> 120 VAL ( 120 ) C D= 4.02 H-ene= -- Sym= (B-B) 598 26 GLY ( 26 ) CA <> 120 VAL ( 120 ) O D= 3.24 H-ene= -- Sym= (B-B) 599 26 GLY ( 26 ) C <> 120 VAL ( 120 ) CB D= 3.70 H-ene= -- Sym= (B-S) 600 26 GLY ( 26 ) CA <> 124 ILE ( 124 ) CG2 D= 4.07 H-ene= -- Sym= (B-S) 601 26 GLY ( 26 ) N <> 133 HOH (HOH ) 143 D= 3.01 H-ene= 0.62 Sym= (B-W) 602 26 GLY ( 26 ) CA <> 133 HOH (HOH ) 143 D= 3.37 H-ene= -- Sym= (B-W) 603 27 ASN ( 27 ) N <> 24 SER ( 24 ) C D= 3.86 H-ene= -- Sym= (B-B) 604 27 ASN ( 27 ) N <> 24 SER ( 24 ) O D= 2.92 H-ene= 0.48 Sym= (B-B) 605 27 ASN ( 27 ) CA <> 24 SER ( 24 ) O D= 3.59 H-ene= -- Sym= (B-B) 606 27 ASN ( 27 ) CB <> 24 SER ( 24 ) O D= 3.27 H-ene= -- Sym= (S-B) 607 27 ASN ( 27 ) ND2 <> 24 SER ( 24 ) N D= 3.50 H-ene= -- Sym= (S-B) 608 27 ASN ( 27 ) ND2 <> 24 SER ( 24 ) O D= 3.47 H-ene= 0.38 Sym= (S-B) 609 27 ASN ( 27 ) ND2 <> 24 SER ( 24 ) OG D= 3.04 H-ene= 0.48 Sym= (S-S) 610 27 ASN ( 27 ) N <> 25 LEU ( 25 ) C D= 3.11 H-ene= -- Sym= (B-B) 611 27 ASN ( 27 ) N <> 25 LEU ( 25 ) O D= 3.13 H-ene= -- Sym= (B-B) 612 27 ASN ( 27 ) C <> 29 VAL ( 29 ) N D= 3.35 H-ene= -- Sym= (B-B) 613 27 ASN ( 27 ) O <> 29 VAL ( 29 ) N D= 3.55 H-ene= -- Sym= (B-B) 614 27 ASN ( 27 ) C <> 30 CYS ( 30 ) N D= 3.87 H-ene= -- Sym= (B-B) 615 27 ASN ( 27 ) O <> 30 CYS ( 30 ) N D= 3.46 H-ene= -- Sym= (B-B) 616 27 ASN ( 27 ) O <> 30 CYS ( 30 ) CB D= 3.69 H-ene= -- Sym= (B-S) 617 27 ASN ( 27 ) O <> 31 ALA ( 31 ) N D= 2.91 H-ene= 0.60 Sym= (B-B) 618 27 ASN ( 27 ) O <> 31 ALA ( 31 ) CB D= 3.38 H-ene= -- Sym= (B-S) 619 27 ASN ( 27 ) C <> 105 MET ( 105 ) CE D= 4.09 H-ene= -- Sym= (B-S) 620 27 ASN ( 27 ) CB <> 105 MET ( 105 ) SD D= 3.79 H-ene= -- Sym= (S-S) 621 27 ASN ( 27 ) O <> 111 TRP ( 111 ) CD1 D= 3.69 H-ene= -- Sym= (B-S) 622 27 ASN ( 27 ) CB <> 111 TRP ( 111 ) NE1 D= 3.75 H-ene= -- Sym= (S-S) 623 27 ASN ( 27 ) CG <> 111 TRP ( 111 ) NE1 D= 3.70 H-ene= -- Sym= (S-S) 624 27 ASN ( 27 ) OD1 <> 111 TRP ( 111 ) NE1 D= 2.92 H-ene= 0.75 Sym= (S-S) 625 27 ASN ( 27 ) OD1 <> 111 TRP ( 111 ) CE2 D= 3.63 H-ene= -- Sym= (S-S) 626 27 ASN ( 27 ) OD1 <> 111 TRP ( 111 ) CZ2 D= 3.68 H-ene= -- Sym= (S-S) 627 27 ASN ( 27 ) N <> 120 VAL ( 120 ) CB D= 3.86 H-ene= -- Sym= (B-S) 628 27 ASN ( 27 ) CG <> 120 VAL ( 120 ) CG2 D= 3.84 H-ene= -- Sym= (S-S) 629 27 ASN ( 27 ) ND2 <> 120 VAL ( 120 ) CG2 D= 3.60 H-ene= -- Sym= (S-S) 630 27 ASN ( 27 ) OD1 <> 133 HOH (HOH ) 159 D= 2.91 H-ene= 0.91 Sym= (S-W) 631 27 ASN ( 27 ) ND2 <> 133 HOH (HOH ) 162 D= 3.03 H-ene= 0.91 Sym= (S-W) 632 28 TRP ( 28 ) C <> 12 MET ( 12 ) SD D= 3.98 H-ene= -- Sym= (B-S) 633 28 TRP ( 28 ) C <> 12 MET ( 12 ) CE D= 4.09 H-ene= -- Sym= (B-S) 634 28 TRP ( 28 ) O <> 12 MET ( 12 ) CE D= 3.68 H-ene= -- Sym= (B-S) 635 28 TRP ( 28 ) CB <> 12 MET ( 12 ) SD D= 3.68 H-ene= -- Sym= (S-S) 636 28 TRP ( 28 ) CB <> 12 MET ( 12 ) CE D= 4.03 H-ene= -- Sym= (S-S) 637 28 TRP ( 28 ) CD1 <> 17 LEU ( 17 ) O D= 3.40 H-ene= -- Sym= (S-B) 638 28 TRP ( 28 ) CD1 <> 17 LEU ( 17 ) CB D= 4.10 H-ene= -- Sym= (S-S) 639 28 TRP ( 28 ) CD2 <> 17 LEU ( 17 ) CD1 D= 4.01 H-ene= -- Sym= (S-S) 640 28 TRP ( 28 ) NE1 <> 17 LEU ( 17 ) O D= 3.10 H-ene= 0.17 Sym= (S-B) 641 28 TRP ( 28 ) CE2 <> 17 LEU ( 17 ) CD2 D= 4.08 H-ene= -- Sym= (S-S) 642 28 TRP ( 28 ) CE3 <> 17 LEU ( 17 ) CD1 D= 4.07 H-ene= -- Sym= (S-S) 643 28 TRP ( 28 ) CZ2 <> 17 LEU ( 17 ) CD2 D= 4.10 H-ene= -- Sym= (S-S) 644 28 TRP ( 28 ) CD1 <> 23 TYR ( 23 ) O D= 3.57 H-ene= -- Sym= (S-B) 645 28 TRP ( 28 ) NE1 <> 23 TYR ( 23 ) C D= 3.97 H-ene= -- Sym= (S-B) 646 28 TRP ( 28 ) NE1 <> 23 TYR ( 23 ) O D= 3.18 H-ene= 0.41 Sym= (S-B) 647 28 TRP ( 28 ) NE1 <> 23 TYR ( 23 ) CB D= 3.54 H-ene= -- Sym= (S-S) 648 28 TRP ( 28 ) CE2 <> 23 TYR ( 23 ) CB D= 4.06 H-ene= -- Sym= (S-S) 649 28 TRP ( 28 ) CD1 <> 24 SER ( 24 ) C D= 4.08 H-ene= -- Sym= (S-B) 650 28 TRP ( 28 ) CD1 <> 24 SER ( 24 ) O D= 3.46 H-ene= -- Sym= (S-B) 651 28 TRP ( 28 ) N <> 25 LEU ( 25 ) C D= 3.81 H-ene= -- Sym= (B-B) 652 28 TRP ( 28 ) N <> 25 LEU ( 25 ) O D= 3.05 H-ene= 0.12 Sym= (B-B) 653 28 TRP ( 28 ) CA <> 25 LEU ( 25 ) O D= 3.62 H-ene= -- Sym= (B-B) 654 28 TRP ( 28 ) CB <> 25 LEU ( 25 ) O D= 3.56 H-ene= -- Sym= (S-B) 655 28 TRP ( 28 ) N <> 26 GLY ( 26 ) C D= 3.31 H-ene= -- Sym= (B-B) 656 28 TRP ( 28 ) N <> 26 GLY ( 26 ) O D= 3.50 H-ene= -- Sym= (B-B) 657 28 TRP ( 28 ) C <> 30 CYS ( 30 ) N D= 3.31 H-ene= -- Sym= (B-B) 658 28 TRP ( 28 ) O <> 30 CYS ( 30 ) N D= 3.55 H-ene= -- Sym= (B-B) 659 28 TRP ( 28 ) C <> 31 ALA ( 31 ) N D= 3.76 H-ene= -- Sym= (B-B) 660 28 TRP ( 28 ) O <> 31 ALA ( 31 ) N D= 3.37 H-ene= -- Sym= (B-B) 661 28 TRP ( 28 ) O <> 31 ALA ( 31 ) CB D= 3.63 H-ene= -- Sym= (B-S) 662 28 TRP ( 28 ) O <> 32 ALA ( 32 ) N D= 2.97 H-ene= 0.69 Sym= (B-B) 663 28 TRP ( 28 ) O <> 32 ALA ( 32 ) CB D= 3.53 H-ene= -- Sym= (B-S) 664 28 TRP ( 28 ) CH2 <> 99 VAL ( 99 ) CB D= 3.80 H-ene= -- Sym= (S-S) 665 28 TRP ( 28 ) CH2 <> 99 VAL ( 99 ) CG1 D= 3.88 H-ene= -- Sym= (S-S) 666 28 TRP ( 28 ) CH2 <> 99 VAL ( 99 ) CG2 D= 3.98 H-ene= -- Sym= (S-S) 667 28 TRP ( 28 ) CD2 <> 105 MET ( 105 ) SD D= 4.17 H-ene= -- Sym= (S-S) 668 28 TRP ( 28 ) CD2 <> 105 MET ( 105 ) CE D= 4.01 H-ene= -- Sym= (S-S) 669 28 TRP ( 28 ) CE2 <> 105 MET ( 105 ) SD D= 4.05 H-ene= -- Sym= (S-S) 670 28 TRP ( 28 ) CE3 <> 105 MET ( 105 ) CE D= 3.72 H-ene= -- Sym= (S-S) 671 28 TRP ( 28 ) CZ2 <> 105 MET ( 105 ) SD D= 4.13 H-ene= -- Sym= (S-S) 672 28 TRP ( 28 ) CZ3 <> 105 MET ( 105 ) CE D= 3.93 H-ene= -- Sym= (S-S) 673 28 TRP ( 28 ) CH2 <> 105 MET ( 105 ) SD D= 4.29 H-ene= -- Sym= (S-S) 674 28 TRP ( 28 ) CZ3 <> 108 TRP ( 108 ) CZ3 D= 3.97 H-ene= -- Sym= (S-S) 675 28 TRP ( 28 ) CZ3 <> 108 TRP ( 108 ) CH2 D= 3.85 H-ene= -- Sym= (S-S) 676 29 VAL ( 29 ) CG2 <> 9 ALA ( 9 ) CA D= 3.84 H-ene= -- Sym= (S-B) 677 29 VAL ( 29 ) CG2 <> 9 ALA ( 9 ) CB D= 3.92 H-ene= -- Sym= (S-S) 678 29 VAL ( 29 ) N <> 12 MET ( 12 ) SD D= 4.10 H-ene= -- Sym= (B-S) 679 29 VAL ( 29 ) CG2 <> 12 MET ( 12 ) SD D= 4.10 H-ene= -- Sym= (S-S) 680 29 VAL ( 29 ) N <> 25 LEU ( 25 ) O D= 3.06 H-ene= 0.73 Sym= (B-B) 681 29 VAL ( 29 ) CG2 <> 25 LEU ( 25 ) O D= 3.47 H-ene= -- Sym= (S-B) 682 29 VAL ( 29 ) N <> 26 GLY ( 26 ) C D= 3.87 H-ene= -- Sym= (B-B) 683 29 VAL ( 29 ) N <> 26 GLY ( 26 ) O D= 3.48 H-ene= -- Sym= (B-B) 684 29 VAL ( 29 ) N <> 27 ASN ( 27 ) C D= 3.35 H-ene= -- Sym= (B-B) 685 29 VAL ( 29 ) N <> 27 ASN ( 27 ) O D= 3.55 H-ene= -- Sym= (B-B) 686 29 VAL ( 29 ) C <> 31 ALA ( 31 ) N D= 3.25 H-ene= -- Sym= (B-B) 687 29 VAL ( 29 ) O <> 31 ALA ( 31 ) N D= 3.38 H-ene= -- Sym= (B-B) 688 29 VAL ( 29 ) C <> 32 ALA ( 32 ) N D= 3.78 H-ene= -- Sym= (B-B) 689 29 VAL ( 29 ) O <> 32 ALA ( 32 ) N D= 3.24 H-ene= -- Sym= (B-B) 690 29 VAL ( 29 ) O <> 32 ALA ( 32 ) CA D= 3.70 H-ene= -- Sym= (B-B) 691 29 VAL ( 29 ) O <> 32 ALA ( 32 ) CB D= 3.64 H-ene= -- Sym= (B-S) 692 29 VAL ( 29 ) O <> 33 LYS ( 33 ) N D= 2.88 H-ene= 0.64 Sym= (B-B) 693 29 VAL ( 29 ) O <> 33 LYS ( 33 ) CB D= 3.52 H-ene= -- Sym= (B-S) 694 29 VAL ( 29 ) O <> 38 PHE ( 38 ) CE1 D= 3.42 H-ene= -- Sym= (B-S) 695 29 VAL ( 29 ) CG1 <> 38 PHE ( 38 ) CE1 D= 3.95 H-ene= -- Sym= (S-S) 696 29 VAL ( 29 ) CG1 <> 38 PHE ( 38 ) CZ D= 3.90 H-ene= -- Sym= (S-S) 697 29 VAL ( 29 ) CB <> 123 TRP ( 123 ) CB D= 4.02 H-ene= -- Sym= (S-S) 698 29 VAL ( 29 ) CG1 <> 123 TRP ( 123 ) CB D= 3.86 H-ene= -- Sym= (S-S) 699 30 CYS ( 30 ) N <> 26 GLY ( 26 ) O D= 2.92 H-ene= 0.63 Sym= (B-B) 700 30 CYS ( 30 ) CA <> 26 GLY ( 26 ) O D= 3.66 H-ene= -- Sym= (B-B) 701 30 CYS ( 30 ) CB <> 26 GLY ( 26 ) O D= 3.20 H-ene= -- Sym= (S-B) 702 30 CYS ( 30 ) N <> 27 ASN ( 27 ) C D= 3.87 H-ene= -- Sym= (B-B) 703 30 CYS ( 30 ) N <> 27 ASN ( 27 ) O D= 3.46 H-ene= -- Sym= (B-B) 704 30 CYS ( 30 ) CB <> 27 ASN ( 27 ) O D= 3.69 H-ene= -- Sym= (S-B) 705 30 CYS ( 30 ) N <> 28 TRP ( 28 ) C D= 3.31 H-ene= -- Sym= (B-B) 706 30 CYS ( 30 ) N <> 28 TRP ( 28 ) O D= 3.55 H-ene= -- Sym= (B-B) 707 30 CYS ( 30 ) C <> 32 ALA ( 32 ) N D= 3.28 H-ene= -- Sym= (B-B) 708 30 CYS ( 30 ) O <> 32 ALA ( 32 ) N D= 3.42 H-ene= -- Sym= (B-B) 709 30 CYS ( 30 ) C <> 33 LYS ( 33 ) N D= 3.74 H-ene= -- Sym= (B-B) 710 30 CYS ( 30 ) O <> 33 LYS ( 33 ) N D= 3.22 H-ene= -- Sym= (B-B) 711 30 CYS ( 30 ) O <> 33 LYS ( 33 ) CA D= 3.68 H-ene= -- Sym= (B-B) 712 30 CYS ( 30 ) O <> 33 LYS ( 33 ) CB D= 3.44 H-ene= -- Sym= (B-S) 713 30 CYS ( 30 ) O <> 34 PHE ( 34 ) N D= 3.09 H-ene= 0.69 Sym= (B-B) 714 30 CYS ( 30 ) O <> 34 PHE ( 34 ) CD2 D= 3.47 H-ene= -- Sym= (B-S) 715 30 CYS ( 30 ) SG <> 34 PHE ( 34 ) CD2 D= 3.76 H-ene= -- Sym= (S-S) 716 30 CYS ( 30 ) SG <> 34 PHE ( 34 ) CE2 D= 3.66 H-ene= -- Sym= (S-S) 717 30 CYS ( 30 ) CA <> 115 CYS ( 115 ) SG D= 3.79 H-ene= -- Sym= (B-S) 718 30 CYS ( 30 ) C <> 115 CYS ( 115 ) SG D= 3.38 H-ene= -- Sym= (B-S) 719 30 CYS ( 30 ) O <> 115 CYS ( 115 ) SG D= 3.51 H-ene= -- Sym= (B-S) 720 30 CYS ( 30 ) CB <> 115 CYS ( 115 ) CB D= 3.83 H-ene= -- Sym= (S-S) 721 30 CYS ( 30 ) SG <> 115 CYS ( 115 ) CA D= 3.59 H-ene= -- Sym= (S-B) 722 30 CYS ( 30 ) CA <> 123 TRP ( 123 ) CG D= 4.03 H-ene= -- Sym= (B-S) 723 30 CYS ( 30 ) CA <> 123 TRP ( 123 ) CD1 D= 4.01 H-ene= -- Sym= (B-S) 724 30 CYS ( 30 ) CB <> 123 TRP ( 123 ) CG D= 3.91 H-ene= -- Sym= (S-S) 725 30 CYS ( 30 ) CB <> 123 TRP ( 123 ) CD1 D= 3.39 H-ene= -- Sym= (S-S) 726 30 CYS ( 30 ) CB <> 123 TRP ( 123 ) NE1 D= 3.48 H-ene= -- Sym= (S-S) 727 30 CYS ( 30 ) CB <> 123 TRP ( 123 ) CE2 D= 4.03 H-ene= -- Sym= (S-S) 728 30 CYS ( 30 ) SG <> 123 TRP ( 123 ) CD1 D= 3.87 H-ene= -- Sym= (S-S) 729 30 CYS ( 30 ) SG <> 123 TRP ( 123 ) NE1 D= 3.32 H-ene= -- Sym= (S-S) 730 30 CYS ( 30 ) SG <> 123 TRP ( 123 ) CE2 D= 3.91 H-ene= -- Sym= (S-S) 731 31 ALA ( 31 ) N <> 27 ASN ( 27 ) O D= 2.91 H-ene= 0.60 Sym= (B-B) 732 31 ALA ( 31 ) CB <> 27 ASN ( 27 ) O D= 3.38 H-ene= -- Sym= (S-B) 733 31 ALA ( 31 ) N <> 28 TRP ( 28 ) C D= 3.76 H-ene= -- Sym= (B-B) 734 31 ALA ( 31 ) N <> 28 TRP ( 28 ) O D= 3.37 H-ene= -- Sym= (B-B) 735 31 ALA ( 31 ) CB <> 28 TRP ( 28 ) O D= 3.63 H-ene= -- Sym= (S-B) 736 31 ALA ( 31 ) N <> 29 VAL ( 29 ) C D= 3.25 H-ene= -- Sym= (B-B) 737 31 ALA ( 31 ) N <> 29 VAL ( 29 ) O D= 3.38 H-ene= -- Sym= (B-B) 738 31 ALA ( 31 ) C <> 33 LYS ( 33 ) N D= 3.26 H-ene= -- Sym= (B-B) 739 31 ALA ( 31 ) O <> 33 LYS ( 33 ) N D= 3.37 H-ene= -- Sym= (B-B) 740 31 ALA ( 31 ) C <> 34 PHE ( 34 ) N D= 3.95 H-ene= -- Sym= (B-B) 741 31 ALA ( 31 ) O <> 34 PHE ( 34 ) N D= 3.34 H-ene= -- Sym= (B-B) 742 31 ALA ( 31 ) C <> 35 GLU ( 35 ) CG D= 4.01 H-ene= -- Sym= (B-S) 743 31 ALA ( 31 ) O <> 35 GLU ( 35 ) N D= 2.81 H-ene= 0.52 Sym= (B-B) 744 31 ALA ( 31 ) O <> 35 GLU ( 35 ) CA D= 3.56 H-ene= -- Sym= (B-B) 745 31 ALA ( 31 ) O <> 35 GLU ( 35 ) CB D= 3.15 H-ene= -- Sym= (B-S) 746 31 ALA ( 31 ) O <> 35 GLU ( 35 ) CG D= 3.07 H-ene= -- Sym= (B-S) 747 31 ALA ( 31 ) CB <> 105 MET ( 105 ) CE D= 3.74 H-ene= -- Sym= (S-S) 748 31 ALA ( 31 ) N <> 115 CYS ( 115 ) SG D= 3.67 H-ene= -- Sym= (B-S) 749 31 ALA ( 31 ) CA <> 115 CYS ( 115 ) SG D= 4.14 H-ene= -- Sym= (B-S) 750 32 ALA ( 32 ) CB <> 8 LEU ( 8 ) CD2 D= 3.55 H-ene= -- Sym= (S-S) 751 32 ALA ( 32 ) N <> 28 TRP ( 28 ) O D= 2.97 H-ene= 0.69 Sym= (B-B) 752 32 ALA ( 32 ) CB <> 28 TRP ( 28 ) O D= 3.53 H-ene= -- Sym= (S-B) 753 32 ALA ( 32 ) N <> 29 VAL ( 29 ) C D= 3.78 H-ene= -- Sym= (B-B) 754 32 ALA ( 32 ) N <> 29 VAL ( 29 ) O D= 3.24 H-ene= -- Sym= (B-B) 755 32 ALA ( 32 ) CA <> 29 VAL ( 29 ) O D= 3.70 H-ene= -- Sym= (B-B) 756 32 ALA ( 32 ) CB <> 29 VAL ( 29 ) O D= 3.64 H-ene= -- Sym= (S-B) 757 32 ALA ( 32 ) N <> 30 CYS ( 30 ) C D= 3.28 H-ene= -- Sym= (B-B) 758 32 ALA ( 32 ) N <> 30 CYS ( 30 ) O D= 3.42 H-ene= -- Sym= (B-B) 759 32 ALA ( 32 ) C <> 34 PHE ( 34 ) N D= 3.33 H-ene= -- Sym= (B-B) 760 32 ALA ( 32 ) O <> 34 PHE ( 34 ) N D= 3.44 H-ene= -- Sym= (B-B) 761 32 ALA ( 32 ) C <> 35 GLU ( 35 ) N D= 3.85 H-ene= -- Sym= (B-B) 762 32 ALA ( 32 ) O <> 35 GLU ( 35 ) N D= 3.44 H-ene= -- Sym= (B-B) 763 32 ALA ( 32 ) O <> 36 SER ( 36 ) N D= 2.99 H-ene= 0.67 Sym= (B-B) 764 32 ALA ( 32 ) O <> 36 SER ( 36 ) OG D= 3.04 H-ene= 0.81 Sym= (B-S) 765 32 ALA ( 32 ) O <> 37 ASN ( 37 ) N D= 3.29 H-ene= 0.28 Sym= (B-B) 766 32 ALA ( 32 ) C <> 38 PHE ( 38 ) CD1 D= 3.92 H-ene= -- Sym= (B-S) 767 32 ALA ( 32 ) C <> 38 PHE ( 38 ) CE1 D= 4.01 H-ene= -- Sym= (B-S) 768 32 ALA ( 32 ) O <> 38 PHE ( 38 ) N D= 3.50 H-ene= 0.57 Sym= (B-B) 769 32 ALA ( 32 ) CB <> 38 PHE ( 38 ) CD1 D= 3.99 H-ene= -- Sym= (S-S) 770 32 ALA ( 32 ) CA <> 55 ILE ( 55 ) O D= 3.62 H-ene= -- Sym= (B-B) 771 32 ALA ( 32 ) CB <> 55 ILE ( 55 ) CG1 D= 4.02 H-ene= -- Sym= (S-S) 772 32 ALA ( 32 ) N <> 56 LEU ( 56 ) CD2 D= 3.96 H-ene= -- Sym= (B-S) 773 32 ALA ( 32 ) CA <> 56 LEU ( 56 ) CD2 D= 4.04 H-ene= -- Sym= (B-S) 774 33 LYS ( 33 ) N <> 29 VAL ( 29 ) O D= 2.88 H-ene= 0.64 Sym= (B-B) 775 33 LYS ( 33 ) CB <> 29 VAL ( 29 ) O D= 3.52 H-ene= -- Sym= (S-B) 776 33 LYS ( 33 ) N <> 30 CYS ( 30 ) C D= 3.74 H-ene= -- Sym= (B-B) 777 33 LYS ( 33 ) N <> 30 CYS ( 30 ) O D= 3.22 H-ene= -- Sym= (B-B) 778 33 LYS ( 33 ) CA <> 30 CYS ( 30 ) O D= 3.68 H-ene= -- Sym= (B-B) 779 33 LYS ( 33 ) CB <> 30 CYS ( 30 ) O D= 3.44 H-ene= -- Sym= (S-B) 780 33 LYS ( 33 ) N <> 31 ALA ( 31 ) C D= 3.26 H-ene= -- Sym= (B-B) 781 33 LYS ( 33 ) N <> 31 ALA ( 31 ) O D= 3.37 H-ene= -- Sym= (B-B) 782 33 LYS ( 33 ) C <> 35 GLU ( 35 ) N D= 3.38 H-ene= -- Sym= (B-B) 783 33 LYS ( 33 ) O <> 35 GLU ( 35 ) N D= 3.59 H-ene= -- Sym= (B-B) 784 33 LYS ( 33 ) C <> 37 ASN ( 37 ) N D= 3.74 H-ene= -- Sym= (B-B) 785 33 LYS ( 33 ) C <> 37 ASN ( 37 ) CA D= 4.02 H-ene= -- Sym= (B-B) 786 33 LYS ( 33 ) O <> 37 ASN ( 37 ) N D= 2.86 H-ene= 0.42 Sym= (B-B) 787 33 LYS ( 33 ) O <> 37 ASN ( 37 ) CA D= 3.06 H-ene= -- Sym= (B-B) 788 33 LYS ( 33 ) CD <> 37 ASN ( 37 ) OD1 D= 3.64 H-ene= -- Sym= (S-S) 789 33 LYS ( 33 ) CE <> 37 ASN ( 37 ) OD1 D= 3.36 H-ene= -- Sym= (S-S) 790 33 LYS ( 33 ) NZ <> 37 ASN ( 37 ) CG D= 3.93 H-ene= -- Sym= (S-S) 791 33 LYS ( 33 ) NZ <> 37 ASN ( 37 ) OD1 D= 2.73 H-ene= 0.63 Sym= (S-S) 792 33 LYS ( 33 ) N <> 38 PHE ( 38 ) CD1 D= 3.69 H-ene= -- Sym= (B-S) 793 33 LYS ( 33 ) N <> 38 PHE ( 38 ) CE1 D= 3.38 H-ene= -- Sym= (B-S) 794 33 LYS ( 33 ) CA <> 38 PHE ( 38 ) CD1 D= 3.76 H-ene= -- Sym= (B-S) 795 33 LYS ( 33 ) CA <> 38 PHE ( 38 ) CE1 D= 3.46 H-ene= -- Sym= (B-S) 796 33 LYS ( 33 ) CA <> 38 PHE ( 38 ) CZ D= 3.98 H-ene= -- Sym= (B-S) 797 33 LYS ( 33 ) CB <> 38 PHE ( 38 ) CE1 D= 3.58 H-ene= -- Sym= (S-S) 798 33 LYS ( 33 ) CB <> 38 PHE ( 38 ) CZ D= 3.63 H-ene= -- Sym= (S-S) 799 33 LYS ( 33 ) CD <> 38 PHE ( 38 ) CE2 D= 3.89 H-ene= -- Sym= (S-S) 800 33 LYS ( 33 ) CD <> 38 PHE ( 38 ) CZ D= 3.94 H-ene= -- Sym= (S-S) 801 33 LYS ( 33 ) CB <> 123 TRP ( 123 ) CZ3 D= 4.03 H-ene= -- Sym= (S-S) 802 33 LYS ( 33 ) CG <> 123 TRP ( 123 ) CZ3 D= 3.73 H-ene= -- Sym= (S-S) 803 33 LYS ( 33 ) CG <> 123 TRP ( 123 ) CH2 D= 3.55 H-ene= -- Sym= (S-S) 804 33 LYS ( 33 ) O <> 133 HOH (HOH ) 183 D= 2.97 H-ene= 0.72 Sym= (B-W) 805 33 LYS ( 33 ) CE <> 133 HOH (HOH ) 180 D= 3.53 H-ene= -- Sym= (S-W) 806 33 LYS ( 33 ) CE <> 133 HOH (HOH ) 183 D= 3.46 H-ene= -- Sym= (S-W) 807 34 PHE ( 34 ) N <> 30 CYS ( 30 ) O D= 3.09 H-ene= 0.69 Sym= (B-B) 808 34 PHE ( 34 ) CD2 <> 30 CYS ( 30 ) O D= 3.47 H-ene= -- Sym= (S-B) 809 34 PHE ( 34 ) CD2 <> 30 CYS ( 30 ) SG D= 3.76 H-ene= -- Sym= (S-S) 810 34 PHE ( 34 ) CE2 <> 30 CYS ( 30 ) SG D= 3.66 H-ene= -- Sym= (S-S) 811 34 PHE ( 34 ) N <> 31 ALA ( 31 ) C D= 3.95 H-ene= -- Sym= (B-B) 812 34 PHE ( 34 ) N <> 31 ALA ( 31 ) O D= 3.34 H-ene= -- Sym= (B-B) 813 34 PHE ( 34 ) N <> 32 ALA ( 32 ) C D= 3.33 H-ene= -- Sym= (B-B) 814 34 PHE ( 34 ) N <> 32 ALA ( 32 ) O D= 3.44 H-ene= -- Sym= (B-B) 815 34 PHE ( 34 ) C <> 36 SER ( 36 ) N D= 3.58 H-ene= -- Sym= (B-B) 816 34 PHE ( 34 ) C <> 110 ALA ( 110 ) CB D= 3.99 H-ene= -- Sym= (B-S) 817 34 PHE ( 34 ) CB <> 110 ALA ( 110 ) CB D= 3.78 H-ene= -- Sym= (S-S) 818 34 PHE ( 34 ) CB <> 114 ARG ( 114 ) CD D= 4.09 H-ene= -- Sym= (S-S) 819 34 PHE ( 34 ) CG <> 114 ARG ( 114 ) CD D= 3.99 H-ene= -- Sym= (S-S) 820 34 PHE ( 34 ) CG <> 114 ARG ( 114 ) NE D= 3.78 H-ene= -- Sym= (S-S) 821 34 PHE ( 34 ) CG <> 114 ARG ( 114 ) CZ D= 3.84 H-ene= -- Sym= (S-S) 822 34 PHE ( 34 ) CD1 <> 114 ARG ( 114 ) NE D= 3.65 H-ene= -- Sym= (S-S) 823 34 PHE ( 34 ) CD1 <> 114 ARG ( 114 ) CZ D= 3.30 H-ene= -- Sym= (S-S) 824 34 PHE ( 34 ) CD1 <> 114 ARG ( 114 ) NH1 D= 3.59 H-ene= -- Sym= (S-S) 825 34 PHE ( 34 ) CD1 <> 114 ARG ( 114 ) NH2 D= 3.42 H-ene= -- Sym= (S-S) 826 34 PHE ( 34 ) CD2 <> 114 ARG ( 114 ) CB D= 3.73 H-ene= -- Sym= (S-S) 827 34 PHE ( 34 ) CE1 <> 114 ARG ( 114 ) NE D= 4.00 H-ene= -- Sym= (S-S) 828 34 PHE ( 34 ) CE1 <> 114 ARG ( 114 ) CZ D= 3.71 H-ene= -- Sym= (S-S) 829 34 PHE ( 34 ) CE1 <> 114 ARG ( 114 ) NH2 D= 3.39 H-ene= -- Sym= (S-S) 830 34 PHE ( 34 ) CD2 <> 115 CYS ( 115 ) SG D= 3.80 H-ene= -- Sym= (S-S) 831 34 PHE ( 34 ) CE2 <> 115 CYS ( 115 ) SG D= 4.30 H-ene= -- Sym= (S-S) 832 34 PHE ( 34 ) CE2 <> 123 TRP ( 123 ) CZ2 D= 3.75 H-ene= -- Sym= (S-S) 833 34 PHE ( 34 ) CZ <> 123 TRP ( 123 ) CZ2 D= 3.73 H-ene= -- Sym= (S-S) 834 34 PHE ( 34 ) CZ <> 123 TRP ( 123 ) CH2 D= 4.06 H-ene= -- Sym= (S-S) 835 34 PHE ( 34 ) O <> 133 HOH (HOH ) 200 D= 2.73 H-ene= 0.75 Sym= (B-W) 836 34 PHE ( 34 ) CE1 <> 133 HOH (HOH ) 180 D= 3.55 H-ene= -- Sym= (S-W) 837 34 PHE ( 34 ) CZ <> 133 HOH (HOH ) 250 D= 3.47 H-ene= -- Sym= (S-W) 838 35 GLU ( 35 ) N <> 31 ALA ( 31 ) O D= 2.81 H-ene= 0.52 Sym= (B-B) 839 35 GLU ( 35 ) CA <> 31 ALA ( 31 ) O D= 3.56 H-ene= -- Sym= (B-B) 840 35 GLU ( 35 ) CB <> 31 ALA ( 31 ) O D= 3.15 H-ene= -- Sym= (S-B) 841 35 GLU ( 35 ) CG <> 31 ALA ( 31 ) C D= 4.01 H-ene= -- Sym= (S-B) 842 35 GLU ( 35 ) CG <> 31 ALA ( 31 ) O D= 3.07 H-ene= -- Sym= (S-B) 843 35 GLU ( 35 ) N <> 32 ALA ( 32 ) C D= 3.85 H-ene= -- Sym= (B-B) 844 35 GLU ( 35 ) N <> 32 ALA ( 32 ) O D= 3.44 H-ene= -- Sym= (B-B) 845 35 GLU ( 35 ) N <> 33 LYS ( 33 ) C D= 3.38 H-ene= -- Sym= (B-B) 846 35 GLU ( 35 ) N <> 33 LYS ( 33 ) O D= 3.59 H-ene= -- Sym= (B-B) 847 35 GLU ( 35 ) C <> 37 ASN ( 37 ) N D= 3.90 H-ene= -- Sym= (B-B) 848 35 GLU ( 35 ) C <> 57 GLN ( 57 ) CG D= 3.71 H-ene= -- Sym= (B-S) 849 35 GLU ( 35 ) O <> 57 GLN ( 57 ) CG D= 3.27 H-ene= -- Sym= (B-S) 850 35 GLU ( 35 ) CB <> 57 GLN ( 57 ) CB D= 4.09 H-ene= -- Sym= (S-S) 851 35 GLU ( 35 ) CB <> 57 GLN ( 57 ) CG D= 3.76 H-ene= -- Sym= (S-S) 852 35 GLU ( 35 ) OE1 <> 57 GLN ( 57 ) CB D= 3.34 H-ene= -- Sym= (S-S) 853 35 GLU ( 35 ) OE1 <> 57 GLN ( 57 ) CG D= 3.53 H-ene= -- Sym= (S-S) 854 35 GLU ( 35 ) CG <> 108 TRP ( 108 ) CD1 D= 4.10 H-ene= -- Sym= (S-S) 855 35 GLU ( 35 ) CD <> 108 TRP ( 108 ) CD1 D= 4.02 H-ene= -- Sym= (S-S) 856 35 GLU ( 35 ) OE2 <> 108 TRP ( 108 ) CB D= 3.61 H-ene= -- Sym= (S-S) 857 35 GLU ( 35 ) CG <> 110 ALA ( 110 ) CB D= 4.07 H-ene= -- Sym= (S-S) 858 35 GLU ( 35 ) CD <> 110 ALA ( 110 ) CB D= 3.71 H-ene= -- Sym= (S-S) 859 35 GLU ( 35 ) OE2 <> 110 ALA ( 110 ) N D= 3.19 H-ene= 0.51 Sym= (S-B) 860 35 GLU ( 35 ) OE2 <> 110 ALA ( 110 ) CB D= 3.36 H-ene= -- Sym= (S-S) 861 35 GLU ( 35 ) O <> 133 HOH (HOH ) 224 D= 3.07 H-ene= 0.84 Sym= (B-W) 862 35 GLU ( 35 ) O <> 133 HOH (HOH ) 232 D= 2.80 H-ene= 0.85 Sym= (B-W) 863 35 GLU ( 35 ) CD <> 133 HOH (HOH ) 152 D= 3.62 H-ene= -- Sym= (S-W) 864 35 GLU ( 35 ) OE1 <> 133 HOH (HOH ) 152 D= 2.77 H-ene= 0.98 Sym= (S-W) 865 36 SER ( 36 ) N <> 32 ALA ( 32 ) O D= 2.99 H-ene= 0.67 Sym= (B-B) 866 36 SER ( 36 ) OG <> 32 ALA ( 32 ) O D= 3.04 H-ene= 0.81 Sym= (S-B) 867 36 SER ( 36 ) N <> 34 PHE ( 34 ) C D= 3.58 H-ene= -- Sym= (B-B) 868 36 SER ( 36 ) C <> 38 PHE ( 38 ) N D= 3.08 H-ene= -- Sym= (B-B) 869 36 SER ( 36 ) O <> 38 PHE ( 38 ) N D= 3.24 H-ene= -- Sym= (B-B) 870 36 SER ( 36 ) OG <> 38 PHE ( 38 ) N D= 3.21 H-ene= 0.46 Sym= (S-B) 871 36 SER ( 36 ) OG <> 38 PHE ( 38 ) CA D= 3.64 H-ene= -- Sym= (S-B) 872 36 SER ( 36 ) C <> 39 ASN ( 39 ) N D= 3.76 H-ene= -- Sym= (B-B) 873 36 SER ( 36 ) O <> 39 ASN ( 39 ) N D= 3.09 H-ene= 0.45 Sym= (B-B) 874 36 SER ( 36 ) O <> 39 ASN ( 39 ) CB D= 3.30 H-ene= -- Sym= (B-S) 875 36 SER ( 36 ) CB <> 39 ASN ( 39 ) N D= 3.96 H-ene= -- Sym= (S-B) 876 36 SER ( 36 ) CB <> 39 ASN ( 39 ) O D= 3.49 H-ene= -- Sym= (S-B) 877 36 SER ( 36 ) OG <> 39 ASN ( 39 ) N D= 3.42 H-ene= 0.38 Sym= (S-B) 878 36 SER ( 36 ) CB <> 42 ALA ( 42 ) CB D= 3.86 H-ene= -- Sym= (S-S) 879 36 SER ( 36 ) CB <> 54 GLY ( 54 ) O D= 3.54 H-ene= -- Sym= (S-B) 880 36 SER ( 36 ) CB <> 55 ILE ( 55 ) CA D= 3.63 H-ene= -- Sym= (S-B) 881 36 SER ( 36 ) CB <> 55 ILE ( 55 ) C D= 3.75 H-ene= -- Sym= (S-B) 882 36 SER ( 36 ) CB <> 55 ILE ( 55 ) O D= 3.29 H-ene= -- Sym= (S-B) 883 36 SER ( 36 ) OG <> 55 ILE ( 55 ) CA D= 3.23 H-ene= -- Sym= (S-B) 884 36 SER ( 36 ) OG <> 55 ILE ( 55 ) C D= 3.39 H-ene= -- Sym= (S-B) 885 36 SER ( 36 ) OG <> 55 ILE ( 55 ) O D= 2.79 H-ene= 0.65 Sym= (S-B) 886 36 SER ( 36 ) OG <> 55 ILE ( 55 ) CG1 D= 3.40 H-ene= -- Sym= (S-S) 887 36 SER ( 36 ) CA <> 133 HOH (HOH ) 232 D= 3.52 H-ene= -- Sym= (B-W) 888 36 SER ( 36 ) C <> 133 HOH (HOH ) 209 D= 3.62 H-ene= -- Sym= (B-W) 889 36 SER ( 36 ) O <> 133 HOH (HOH ) 175 D= 2.85 H-ene= 0.73 Sym= (B-W) 890 37 ASN ( 37 ) N <> 32 ALA ( 32 ) O D= 3.29 H-ene= 0.28 Sym= (B-B) 891 37 ASN ( 37 ) N <> 33 LYS ( 33 ) C D= 3.74 H-ene= -- Sym= (B-B) 892 37 ASN ( 37 ) N <> 33 LYS ( 33 ) O D= 2.86 H-ene= 0.42 Sym= (B-B) 893 37 ASN ( 37 ) CA <> 33 LYS ( 33 ) C D= 4.02 H-ene= -- Sym= (B-B) 894 37 ASN ( 37 ) CA <> 33 LYS ( 33 ) O D= 3.06 H-ene= -- Sym= (B-B) 895 37 ASN ( 37 ) CG <> 33 LYS ( 33 ) NZ D= 3.93 H-ene= -- Sym= (S-S) 896 37 ASN ( 37 ) OD1 <> 33 LYS ( 33 ) CD D= 3.64 H-ene= -- Sym= (S-S) 897 37 ASN ( 37 ) OD1 <> 33 LYS ( 33 ) CE D= 3.36 H-ene= -- Sym= (S-S) 898 37 ASN ( 37 ) OD1 <> 33 LYS ( 33 ) NZ D= 2.73 H-ene= 0.63 Sym= (S-S) 899 37 ASN ( 37 ) N <> 35 GLU ( 35 ) C D= 3.90 H-ene= -- Sym= (B-B) 900 37 ASN ( 37 ) C <> 39 ASN ( 39 ) N D= 3.18 H-ene= -- Sym= (B-B) 901 37 ASN ( 37 ) O <> 39 ASN ( 39 ) N D= 3.25 H-ene= -- Sym= (B-B) 902 37 ASN ( 37 ) CG <> 133 HOH (HOH ) 183 D= 3.56 H-ene= -- Sym= (S-W) 903 37 ASN ( 37 ) OD1 <> 133 HOH (HOH ) 183 D= 3.10 H-ene= 0.54 Sym= (S-W) 904 37 ASN ( 37 ) ND2 <> 133 HOH (HOH ) 204 D= 2.89 H-ene= 0.65 Sym= (S-W) 905 38 PHE ( 38 ) O <> 2 VAL ( 2 ) CA D= 3.38 H-ene= -- Sym= (B-B) 906 38 PHE ( 38 ) O <> 2 VAL ( 2 ) C D= 3.58 H-ene= -- Sym= (B-B) 907 38 PHE ( 38 ) C <> 3 PHE ( 3 ) N D= 3.98 H-ene= -- Sym= (B-B) 908 38 PHE ( 38 ) O <> 3 PHE ( 3 ) N D= 2.86 H-ene= 0.67 Sym= (B-B) 909 38 PHE ( 38 ) CB <> 3 PHE ( 3 ) O D= 3.45 H-ene= -- Sym= (S-B) 910 38 PHE ( 38 ) CD2 <> 3 PHE ( 3 ) O D= 3.70 H-ene= -- Sym= (S-B) 911 38 PHE ( 38 ) CE2 <> 5 ARG ( 5 ) CA D= 3.91 H-ene= -- Sym= (S-B) 912 38 PHE ( 38 ) CE2 <> 5 ARG ( 5 ) CB D= 4.05 H-ene= -- Sym= (S-S) 913 38 PHE ( 38 ) CD1 <> 8 LEU ( 8 ) CD2 D= 3.43 H-ene= -- Sym= (S-S) 914 38 PHE ( 38 ) CE1 <> 8 LEU ( 8 ) CD2 D= 3.65 H-ene= -- Sym= (S-S) 915 38 PHE ( 38 ) CE1 <> 29 VAL ( 29 ) O D= 3.42 H-ene= -- Sym= (S-B) 916 38 PHE ( 38 ) CE1 <> 29 VAL ( 29 ) CG1 D= 3.95 H-ene= -- Sym= (S-S) 917 38 PHE ( 38 ) CZ <> 29 VAL ( 29 ) CG1 D= 3.90 H-ene= -- Sym= (S-S) 918 38 PHE ( 38 ) N <> 32 ALA ( 32 ) O D= 3.50 H-ene= 0.57 Sym= (B-B) 919 38 PHE ( 38 ) CD1 <> 32 ALA ( 32 ) C D= 3.92 H-ene= -- Sym= (S-B) 920 38 PHE ( 38 ) CD1 <> 32 ALA ( 32 ) CB D= 3.99 H-ene= -- Sym= (S-S) 921 38 PHE ( 38 ) CE1 <> 32 ALA ( 32 ) C D= 4.01 H-ene= -- Sym= (S-B) 922 38 PHE ( 38 ) CD1 <> 33 LYS ( 33 ) N D= 3.69 H-ene= -- Sym= (S-B) 923 38 PHE ( 38 ) CD1 <> 33 LYS ( 33 ) CA D= 3.76 H-ene= -- Sym= (S-B) 924 38 PHE ( 38 ) CE1 <> 33 LYS ( 33 ) N D= 3.38 H-ene= -- Sym= (S-B) 925 38 PHE ( 38 ) CE1 <> 33 LYS ( 33 ) CA D= 3.46 H-ene= -- Sym= (S-B) 926 38 PHE ( 38 ) CE1 <> 33 LYS ( 33 ) CB D= 3.58 H-ene= -- Sym= (S-S) 927 38 PHE ( 38 ) CE2 <> 33 LYS ( 33 ) CD D= 3.89 H-ene= -- Sym= (S-S) 928 38 PHE ( 38 ) CZ <> 33 LYS ( 33 ) CA D= 3.98 H-ene= -- Sym= (S-B) 929 38 PHE ( 38 ) CZ <> 33 LYS ( 33 ) CB D= 3.63 H-ene= -- Sym= (S-S) 930 38 PHE ( 38 ) CZ <> 33 LYS ( 33 ) CD D= 3.94 H-ene= -- Sym= (S-S) 931 38 PHE ( 38 ) N <> 36 SER ( 36 ) C D= 3.08 H-ene= -- Sym= (B-B) 932 38 PHE ( 38 ) N <> 36 SER ( 36 ) O D= 3.24 H-ene= -- Sym= (B-B) 933 38 PHE ( 38 ) N <> 36 SER ( 36 ) OG D= 3.21 H-ene= 0.46 Sym= (B-S) 934 38 PHE ( 38 ) CA <> 36 SER ( 36 ) OG D= 3.64 H-ene= -- Sym= (B-S) 935 38 PHE ( 38 ) C <> 40 THR ( 40 ) N D= 3.94 H-ene= -- Sym= (B-B) 936 38 PHE ( 38 ) CA <> 55 ILE ( 55 ) CG1 D= 4.07 H-ene= -- Sym= (B-S) 937 38 PHE ( 38 ) CA <> 55 ILE ( 55 ) CD1 D= 4.01 H-ene= -- Sym= (B-S) 938 38 PHE ( 38 ) C <> 55 ILE ( 55 ) CD1 D= 3.92 H-ene= -- Sym= (B-S) 939 38 PHE ( 38 ) CE2 <> 133 HOH (HOH ) 181 D= 3.64 H-ene= -- Sym= (S-W) 940 39 ASN ( 39 ) CA <> 1 LYS ( 1 ) O D= 3.52 H-ene= -- Sym= (B-B) 941 39 ASN ( 39 ) C <> 1 LYS ( 1 ) O D= 3.68 H-ene= -- Sym= (B-B) 942 39 ASN ( 39 ) CG <> 2 VAL ( 2 ) CG2 D= 3.95 H-ene= -- Sym= (S-S) 943 39 ASN ( 39 ) N <> 36 SER ( 36 ) C D= 3.76 H-ene= -- Sym= (B-B) 944 39 ASN ( 39 ) N <> 36 SER ( 36 ) O D= 3.09 H-ene= 0.45 Sym= (B-B) 945 39 ASN ( 39 ) N <> 36 SER ( 36 ) CB D= 3.96 H-ene= -- Sym= (B-S) 946 39 ASN ( 39 ) N <> 36 SER ( 36 ) OG D= 3.42 H-ene= 0.38 Sym= (B-S) 947 39 ASN ( 39 ) O <> 36 SER ( 36 ) CB D= 3.49 H-ene= -- Sym= (B-S) 948 39 ASN ( 39 ) CB <> 36 SER ( 36 ) O D= 3.30 H-ene= -- Sym= (S-B) 949 39 ASN ( 39 ) N <> 37 ASN ( 37 ) C D= 3.18 H-ene= -- Sym= (B-B) 950 39 ASN ( 39 ) N <> 37 ASN ( 37 ) O D= 3.25 H-ene= -- Sym= (B-B) 951 39 ASN ( 39 ) C <> 41 GLN ( 41 ) N D= 3.10 H-ene= -- Sym= (B-B) 952 39 ASN ( 39 ) O <> 41 GLN ( 41 ) N D= 3.16 H-ene= -- Sym= (B-B) 953 39 ASN ( 39 ) CG <> 41 GLN ( 41 ) N D= 3.71 H-ene= -- Sym= (S-B) 954 39 ASN ( 39 ) OD1 <> 41 GLN ( 41 ) N D= 2.97 H-ene= 0.61 Sym= (S-B) 955 39 ASN ( 39 ) OD1 <> 41 GLN ( 41 ) CA D= 3.68 H-ene= -- Sym= (S-B) 956 39 ASN ( 39 ) OD1 <> 41 GLN ( 41 ) CB D= 3.55 H-ene= -- Sym= (S-S) 957 39 ASN ( 39 ) O <> 42 ALA ( 42 ) N D= 3.27 H-ene= 0.65 Sym= (B-B) 958 39 ASN ( 39 ) O <> 42 ALA ( 42 ) CB D= 3.51 H-ene= -- Sym= (B-S) 959 39 ASN ( 39 ) CB <> 133 HOH (HOH ) 175 D= 3.40 H-ene= -- Sym= (S-W) 960 39 ASN ( 39 ) OD1 <> 133 HOH (HOH ) 145 D= 2.73 H-ene= 0.75 Sym= (S-W) 961 39 ASN ( 39 ) ND2 <> 133 HOH (HOH ) 175 D= 3.43 H-ene= 0.53 Sym= (S-W) 962 40 THR ( 40 ) N <> 1 LYS ( 1 ) O D= 2.89 H-ene= 0.76 Sym= (B-B) 963 40 THR ( 40 ) OG1 <> 1 LYS ( 1 ) N D= 2.73 H-ene= 0.89 Sym= (S-B) 964 40 THR ( 40 ) OG1 <> 1 LYS ( 1 ) CA D= 3.68 H-ene= -- Sym= (S-B) 965 40 THR ( 40 ) CG2 <> 1 LYS ( 1 ) O D= 3.42 H-ene= -- Sym= (S-B) 966 40 THR ( 40 ) CG2 <> 3 PHE ( 3 ) CD1 D= 3.95 H-ene= -- Sym= (S-S) 967 40 THR ( 40 ) CG2 <> 3 PHE ( 3 ) CE1 D= 3.66 H-ene= -- Sym= (S-S) 968 40 THR ( 40 ) N <> 38 PHE ( 38 ) C D= 3.94 H-ene= -- Sym= (B-B) 969 40 THR ( 40 ) C <> 42 ALA ( 42 ) N D= 3.34 H-ene= -- Sym= (B-B) 970 40 THR ( 40 ) O <> 42 ALA ( 42 ) N D= 3.56 H-ene= -- Sym= (B-B) 971 40 THR ( 40 ) O <> 54 GLY ( 54 ) CA D= 3.30 H-ene= -- Sym= (B-B) 972 40 THR ( 40 ) C <> 84 LEU ( 84 ) CA D= 4.04 H-ene= -- Sym= (B-B) 973 40 THR ( 40 ) C <> 84 LEU ( 84 ) O D= 3.67 H-ene= -- Sym= (B-B) 974 40 THR ( 40 ) O <> 84 LEU ( 84 ) CA D= 3.08 H-ene= -- Sym= (B-B) 975 40 THR ( 40 ) O <> 84 LEU ( 84 ) C D= 3.58 H-ene= -- Sym= (B-B) 976 40 THR ( 40 ) O <> 84 LEU ( 84 ) CB D= 3.63 H-ene= -- Sym= (B-S) 977 40 THR ( 40 ) O <> 84 LEU ( 84 ) CD2 D= 3.32 H-ene= -- Sym= (B-S) 978 40 THR ( 40 ) CB <> 84 LEU ( 84 ) C D= 4.09 H-ene= -- Sym= (S-B) 979 40 THR ( 40 ) CB <> 84 LEU ( 84 ) O D= 3.50 H-ene= -- Sym= (S-B) 980 40 THR ( 40 ) OG1 <> 84 LEU ( 84 ) O D= 3.14 H-ene= 0.21 Sym= (S-B) 981 40 THR ( 40 ) CB <> 85 SER ( 85 ) O D= 3.33 H-ene= -- Sym= (S-B) 982 40 THR ( 40 ) CG2 <> 85 SER ( 85 ) O D= 3.52 H-ene= -- Sym= (S-B) 983 41 GLN ( 41 ) CG <> 1 LYS ( 1 ) N D= 3.94 H-ene= -- Sym= (S-B) 984 41 GLN ( 41 ) N <> 39 ASN ( 39 ) C D= 3.10 H-ene= -- Sym= (B-B) 985 41 GLN ( 41 ) N <> 39 ASN ( 39 ) O D= 3.16 H-ene= -- Sym= (B-B) 986 41 GLN ( 41 ) N <> 39 ASN ( 39 ) CG D= 3.71 H-ene= -- Sym= (B-S) 987 41 GLN ( 41 ) N <> 39 ASN ( 39 ) OD1 D= 2.97 H-ene= 0.61 Sym= (B-S) 988 41 GLN ( 41 ) CA <> 39 ASN ( 39 ) OD1 D= 3.68 H-ene= -- Sym= (B-S) 989 41 GLN ( 41 ) CB <> 39 ASN ( 39 ) OD1 D= 3.55 H-ene= -- Sym= (S-S) 990 41 GLN ( 41 ) C <> 43 THR ( 43 ) N D= 3.90 H-ene= -- Sym= (B-B) 991 41 GLN ( 41 ) O <> 43 THR ( 43 ) N D= 3.44 H-ene= -- Sym= (B-B) 992 41 GLN ( 41 ) CA <> 84 LEU ( 84 ) CD2 D= 4.03 H-ene= -- Sym= (B-S) 993 41 GLN ( 41 ) C <> 84 LEU ( 84 ) CD2 D= 3.97 H-ene= -- Sym= (B-S) 994 41 GLN ( 41 ) O <> 133 HOH (HOH ) 134 D= 2.70 H-ene= 0.74 Sym= (B-W) 995 41 GLN ( 41 ) CG <> 133 HOH (HOH ) 145 D= 3.48 H-ene= -- Sym= (S-W) 996 41 GLN ( 41 ) CD <> 133 HOH (HOH ) 145 D= 3.65 H-ene= -- Sym= (S-W) 997 41 GLN ( 41 ) NE2 <> 133 HOH (HOH ) 145 D= 2.89 H-ene= 0.78 Sym= (S-W) 998 42 ALA ( 42 ) CB <> 36 SER ( 36 ) CB D= 3.86 H-ene= -- Sym= (S-S) 999 42 ALA ( 42 ) N <> 39 ASN ( 39 ) O D= 3.27 H-ene= 0.65 Sym= (B-B) 1000 42 ALA ( 42 ) CB <> 39 ASN ( 39 ) O D= 3.51 H-ene= -- Sym= (S-B) 1001 42 ALA ( 42 ) N <> 40 THR ( 40 ) C D= 3.34 H-ene= -- Sym= (B-B) 1002 42 ALA ( 42 ) N <> 40 THR ( 40 ) O D= 3.56 H-ene= -- Sym= (B-B) 1003 42 ALA ( 42 ) O <> 53 TYR ( 53 ) CA D= 3.69 H-ene= -- Sym= (B-B) 1004 42 ALA ( 42 ) O <> 53 TYR ( 53 ) C D= 3.68 H-ene= -- Sym= (B-B) 1005 42 ALA ( 42 ) O <> 54 GLY ( 54 ) N D= 2.84 H-ene= 0.59 Sym= (B-B) 1006 42 ALA ( 42 ) O <> 54 GLY ( 54 ) CA D= 3.67 H-ene= -- Sym= (B-B) 1007 42 ALA ( 42 ) C <> 57 GLN ( 57 ) NE2 D= 3.53 H-ene= -- Sym= (B-S) 1008 42 ALA ( 42 ) O <> 57 GLN ( 57 ) NE2 D= 3.11 H-ene= -- Sym= (B-S) 1009 42 ALA ( 42 ) CB <> 57 GLN ( 57 ) NE2 D= 3.73 H-ene= -- Sym= (S-S) 1010 42 ALA ( 42 ) O <> 84 LEU ( 84 ) CD2 D= 3.60 H-ene= -- Sym= (B-S) 1011 43 THR ( 43 ) N <> 41 GLN ( 41 ) C D= 3.90 H-ene= -- Sym= (B-B) 1012 43 THR ( 43 ) N <> 41 GLN ( 41 ) O D= 3.44 H-ene= -- Sym= (B-B) 1013 43 THR ( 43 ) CA <> 52 ASP ( 52 ) O D= 3.19 H-ene= -- Sym= (B-B) 1014 43 THR ( 43 ) C <> 52 ASP ( 52 ) O D= 3.59 H-ene= -- Sym= (B-B) 1015 43 THR ( 43 ) CG2 <> 53 TYR ( 53 ) CD2 D= 3.83 H-ene= -- Sym= (S-S) 1016 43 THR ( 43 ) CG2 <> 84 LEU ( 84 ) CD2 D= 3.96 H-ene= -- Sym= (S-S) 1017 43 THR ( 43 ) N <> 133 HOH (HOH ) 134 D= 3.19 H-ene= 0.31 Sym= (B-W) 1018 43 THR ( 43 ) CB <> 133 HOH (HOH ) 134 D= 3.47 H-ene= -- Sym= (S-W) 1019 43 THR ( 43 ) CB <> 133 HOH (HOH ) 273 D= 3.32 H-ene= -- Sym= (S-W) 1020 43 THR ( 43 ) OG1 <> 133 HOH (HOH ) 134 D= 2.60 H-ene= 0.87 Sym= (S-W) 1021 43 THR ( 43 ) OG1 <> 133 HOH (HOH ) 273 D= 2.78 H-ene= -- Sym= (S-W) 1022 43 THR ( 43 ) CG2 <> 133 HOH (HOH ) 134 D= 3.59 H-ene= -- Sym= (S-W) 1023 44 ASN ( 44 ) N <> 51 THR ( 51 ) CG2 D= 3.98 H-ene= -- Sym= (B-S) 1024 44 ASN ( 44 ) C <> 51 THR ( 51 ) CG2 D= 3.82 H-ene= -- Sym= (B-S) 1025 44 ASN ( 44 ) O <> 51 THR ( 51 ) CA D= 3.34 H-ene= -- Sym= (B-B) 1026 44 ASN ( 44 ) O <> 51 THR ( 51 ) C D= 3.51 H-ene= -- Sym= (B-B) 1027 44 ASN ( 44 ) O <> 51 THR ( 51 ) CG2 D= 3.34 H-ene= -- Sym= (B-S) 1028 44 ASN ( 44 ) N <> 52 ASP ( 52 ) O D= 3.03 H-ene= 0.65 Sym= (B-B) 1029 44 ASN ( 44 ) C <> 52 ASP ( 52 ) N D= 3.89 H-ene= -- Sym= (B-B) 1030 44 ASN ( 44 ) O <> 52 ASP ( 52 ) N D= 2.74 H-ene= 0.72 Sym= (B-B) 1031 44 ASN ( 44 ) CB <> 57 GLN ( 57 ) OE1 D= 3.51 H-ene= -- Sym= (S-S) 1032 44 ASN ( 44 ) CG <> 57 GLN ( 57 ) OE1 D= 3.53 H-ene= -- Sym= (S-S) 1033 44 ASN ( 44 ) OD1 <> 57 GLN ( 57 ) CD D= 3.64 H-ene= -- Sym= (S-S) 1034 44 ASN ( 44 ) OD1 <> 57 GLN ( 57 ) OE1 D= 2.82 H-ene= -- Sym= (S-S) 1035 44 ASN ( 44 ) CA <> 133 HOH (HOH ) 168 D= 3.67 H-ene= -- Sym= (B-W) 1036 44 ASN ( 44 ) OD1 <> 133 HOH (HOH ) 232 D= 3.22 H-ene= 0.73 Sym= (S-W) 1037 45 ARG ( 45 ) NE <> 49 GLY ( 49 ) CA D= 3.90 H-ene= -- Sym= (S-B) 1038 45 ARG ( 45 ) NE <> 49 GLY ( 49 ) C D= 3.49 H-ene= -- Sym= (S-B) 1039 45 ARG ( 45 ) NE <> 49 GLY ( 49 ) O D= 2.87 H-ene= 0.57 Sym= (S-B) 1040 45 ARG ( 45 ) CZ <> 49 GLY ( 49 ) C D= 4.09 H-ene= -- Sym= (S-B) 1041 45 ARG ( 45 ) CZ <> 49 GLY ( 49 ) O D= 3.33 H-ene= -- Sym= (S-B) 1042 45 ARG ( 45 ) NH2 <> 49 GLY ( 49 ) CA D= 3.91 H-ene= -- Sym= (S-B) 1043 45 ARG ( 45 ) NH2 <> 49 GLY ( 49 ) C D= 3.80 H-ene= -- Sym= (S-B) 1044 45 ARG ( 45 ) NH2 <> 49 GLY ( 49 ) O D= 2.94 H-ene= 0.71 Sym= (S-B) 1045 45 ARG ( 45 ) CA <> 50 SER ( 50 ) O D= 3.67 H-ene= -- Sym= (B-B) 1046 45 ARG ( 45 ) CD <> 51 THR ( 51 ) OG1 D= 3.08 H-ene= -- Sym= (S-S) 1047 45 ARG ( 45 ) NE <> 51 THR ( 51 ) OG1 D= 3.38 H-ene= -- Sym= (S-S) 1048 45 ARG ( 45 ) CD <> 68 ARG ( 68 ) CZ D= 3.97 H-ene= -- Sym= (S-S) 1049 45 ARG ( 45 ) CD <> 68 ARG ( 68 ) NH2 D= 3.20 H-ene= -- Sym= (S-S) 1050 45 ARG ( 45 ) NE <> 68 ARG ( 68 ) NE D= 3.81 H-ene= -- Sym= (S-S) 1051 45 ARG ( 45 ) NE <> 68 ARG ( 68 ) CZ D= 3.81 H-ene= -- Sym= (S-S) 1052 45 ARG ( 45 ) NE <> 68 ARG ( 68 ) NH2 D= 3.50 H-ene= -- Sym= (S-S) 1053 45 ARG ( 45 ) CZ <> 68 ARG ( 68 ) NE D= 3.55 H-ene= -- Sym= (S-S) 1054 45 ARG ( 45 ) CZ <> 68 ARG ( 68 ) CZ D= 3.58 H-ene= -- Sym= (S-S) 1055 45 ARG ( 45 ) CZ <> 68 ARG ( 68 ) NH2 D= 3.69 H-ene= -- Sym= (S-S) 1056 45 ARG ( 45 ) NH1 <> 68 ARG ( 68 ) NE D= 3.82 H-ene= -- Sym= (S-S) 1057 45 ARG ( 45 ) NH1 <> 68 ARG ( 68 ) CZ D= 3.45 H-ene= -- Sym= (S-S) 1058 45 ARG ( 45 ) NH1 <> 68 ARG ( 68 ) NH1 D= 3.66 H-ene= -- Sym= (S-S) 1059 45 ARG ( 45 ) NH1 <> 68 ARG ( 68 ) NH2 D= 3.60 H-ene= -- Sym= (S-S) 1060 45 ARG ( 45 ) NH2 <> 68 ARG ( 68 ) CD D= 3.86 H-ene= -- Sym= (S-S) 1061 45 ARG ( 45 ) NH2 <> 68 ARG ( 68 ) NE D= 3.62 H-ene= -- Sym= (S-S) 1062 45 ARG ( 45 ) N <> 133 HOH (HOH ) 168 D= 3.03 H-ene= 0.91 Sym= (B-W) 1063 45 ARG ( 45 ) CG <> 133 HOH (HOH ) 271 D= 3.39 H-ene= -- Sym= (S-W) 1064 45 ARG ( 45 ) CD <> 133 HOH (HOH ) 271 D= 2.90 H-ene= -- Sym= (S-W) 1065 45 ARG ( 45 ) NE <> 133 HOH (HOH ) 132 D= 3.53 H-ene= -- Sym= (S-W) 1066 45 ARG ( 45 ) CZ <> 133 HOH (HOH ) 271 D= 3.53 H-ene= -- Sym= (S-W) 1067 45 ARG ( 45 ) NH1 <> 133 HOH (HOH ) 271 D= 2.59 H-ene= 0.71 Sym= (S-W) 1068 46 ASN ( 46 ) C <> 48 ASP ( 48 ) N D= 3.22 H-ene= -- Sym= (B-B) 1069 46 ASN ( 46 ) O <> 48 ASP ( 48 ) N D= 3.27 H-ene= -- Sym= (B-B) 1070 46 ASN ( 46 ) CB <> 48 ASP ( 48 ) OD1 D= 3.31 H-ene= -- Sym= (S-S) 1071 46 ASN ( 46 ) C <> 49 GLY ( 49 ) N D= 3.77 H-ene= -- Sym= (B-B) 1072 46 ASN ( 46 ) O <> 49 GLY ( 49 ) N D= 2.97 H-ene= 0.57 Sym= (B-B) 1073 46 ASN ( 46 ) O <> 49 GLY ( 49 ) CA D= 3.59 H-ene= -- Sym= (B-B) 1074 46 ASN ( 46 ) N <> 50 SER ( 50 ) C D= 3.95 H-ene= -- Sym= (B-B) 1075 46 ASN ( 46 ) N <> 50 SER ( 50 ) O D= 2.80 H-ene= 0.73 Sym= (B-B) 1076 46 ASN ( 46 ) CA <> 50 SER ( 50 ) O D= 3.65 H-ene= -- Sym= (B-B) 1077 46 ASN ( 46 ) CB <> 50 SER ( 50 ) O D= 3.55 H-ene= -- Sym= (S-B) 1078 46 ASN ( 46 ) CB <> 50 SER ( 50 ) OG D= 3.43 H-ene= -- Sym= (S-S) 1079 46 ASN ( 46 ) CG <> 50 SER ( 50 ) OG D= 3.54 H-ene= -- Sym= (S-S) 1080 46 ASN ( 46 ) OD1 <> 50 SER ( 50 ) OG D= 2.88 H-ene= 0.79 Sym= (S-S) 1081 46 ASN ( 46 ) OD1 <> 52 ASP ( 52 ) CG D= 3.56 H-ene= -- Sym= (S-S) 1082 46 ASN ( 46 ) OD1 <> 52 ASP ( 52 ) OD1 D= 3.10 H-ene= 0.12 Sym= (S-S) 1083 46 ASN ( 46 ) ND2 <> 52 ASP ( 52 ) CG D= 3.91 H-ene= -- Sym= (S-S) 1084 46 ASN ( 46 ) ND2 <> 52 ASP ( 52 ) OD2 D= 3.35 H-ene= 0.55 Sym= (S-S) 1085 46 ASN ( 46 ) CG <> 59 ASN ( 59 ) ND2 D= 3.85 H-ene= -- Sym= (S-S) 1086 46 ASN ( 46 ) OD1 <> 59 ASN ( 59 ) ND2 D= 2.69 H-ene= 0.34 Sym= (S-S) 1087 46 ASN ( 46 ) CA <> 133 HOH (HOH ) 193 D= 3.64 H-ene= -- Sym= (B-W) 1088 46 ASN ( 46 ) CB <> 133 HOH (HOH ) 198 D= 3.31 H-ene= -- Sym= (S-W) 1089 47 THR ( 47 ) C <> 49 GLY ( 49 ) N D= 3.03 H-ene= -- Sym= (B-B) 1090 47 THR ( 47 ) O <> 49 GLY ( 49 ) N D= 3.15 H-ene= -- Sym= (B-B) 1091 47 THR ( 47 ) N <> 133 HOH (HOH ) 193 D= 3.52 H-ene= 0.57 Sym= (B-W) 1092 47 THR ( 47 ) N <> 133 HOH (HOH ) 198 D= 3.54 H-ene= -- Sym= (B-W) 1093 48 ASP ( 48 ) N <> 46 ASN ( 46 ) C D= 3.22 H-ene= -- Sym= (B-B) 1094 48 ASP ( 48 ) N <> 46 ASN ( 46 ) O D= 3.27 H-ene= -- Sym= (B-B) 1095 48 ASP ( 48 ) OD1 <> 46 ASN ( 46 ) CB D= 3.31 H-ene= -- Sym= (S-S) 1096 48 ASP ( 48 ) C <> 50 SER ( 50 ) N D= 3.36 H-ene= -- Sym= (B-B) 1097 48 ASP ( 48 ) O <> 50 SER ( 50 ) N D= 3.60 H-ene= -- Sym= (B-B) 1098 48 ASP ( 48 ) CG <> 50 SER ( 50 ) N D= 3.92 H-ene= -- Sym= (S-B) 1099 48 ASP ( 48 ) CG <> 50 SER ( 50 ) CB D= 4.10 H-ene= -- Sym= (S-S) 1100 48 ASP ( 48 ) CG <> 50 SER ( 50 ) OG D= 3.48 H-ene= -- Sym= (S-S) 1101 48 ASP ( 48 ) OD1 <> 50 SER ( 50 ) N D= 3.01 H-ene= 0.67 Sym= (S-B) 1102 48 ASP ( 48 ) OD1 <> 50 SER ( 50 ) CB D= 3.42 H-ene= -- Sym= (S-S) 1103 48 ASP ( 48 ) OD1 <> 50 SER ( 50 ) OG D= 2.68 H-ene= 0.80 Sym= (S-S) 1104 48 ASP ( 48 ) C <> 61 ARG ( 61 ) NH2 D= 3.54 H-ene= -- Sym= (B-S) 1105 48 ASP ( 48 ) O <> 61 ARG ( 61 ) NH2 D= 2.75 H-ene= 0.35 Sym= (B-S) 1106 48 ASP ( 48 ) CB <> 61 ARG ( 61 ) NH2 D= 3.46 H-ene= -- Sym= (S-S) 1107 48 ASP ( 48 ) CG <> 61 ARG ( 61 ) NE D= 3.98 H-ene= -- Sym= (S-S) 1108 48 ASP ( 48 ) CG <> 61 ARG ( 61 ) NH2 D= 3.29 H-ene= -- Sym= (S-S) 1109 48 ASP ( 48 ) OD2 <> 61 ARG ( 61 ) NE D= 3.28 H-ene= 0.57 Sym= (S-S) 1110 48 ASP ( 48 ) OD2 <> 61 ARG ( 61 ) NH2 D= 3.36 H-ene= -- Sym= (S-S) 1111 48 ASP ( 48 ) N <> 133 HOH (HOH ) 198 D= 3.22 H-ene= 0.71 Sym= (B-W) 1112 48 ASP ( 48 ) CB <> 133 HOH (HOH ) 198 D= 3.50 H-ene= -- Sym= (S-W) 1113 48 ASP ( 48 ) CG <> 133 HOH (HOH ) 198 D= 3.04 H-ene= -- Sym= (S-W) 1114 48 ASP ( 48 ) OD1 <> 133 HOH (HOH ) 198 D= 3.01 H-ene= -- Sym= (S-W) 1115 48 ASP ( 48 ) OD2 <> 133 HOH (HOH ) 216 D= 2.76 H-ene= 0.82 Sym= (S-W) 1116 48 ASP ( 48 ) OD2 <> 133 HOH (HOH ) 223 D= 2.81 H-ene= 0.87 Sym= (S-W) 1117 49 GLY ( 49 ) CA <> 45 ARG ( 45 ) NE D= 3.90 H-ene= -- Sym= (B-S) 1118 49 GLY ( 49 ) CA <> 45 ARG ( 45 ) NH2 D= 3.91 H-ene= -- Sym= (B-S) 1119 49 GLY ( 49 ) C <> 45 ARG ( 45 ) NE D= 3.49 H-ene= -- Sym= (B-S) 1120 49 GLY ( 49 ) C <> 45 ARG ( 45 ) CZ D= 4.09 H-ene= -- Sym= (B-S) 1121 49 GLY ( 49 ) C <> 45 ARG ( 45 ) NH2 D= 3.80 H-ene= -- Sym= (B-S) 1122 49 GLY ( 49 ) O <> 45 ARG ( 45 ) NE D= 2.87 H-ene= 0.57 Sym= (B-S) 1123 49 GLY ( 49 ) O <> 45 ARG ( 45 ) CZ D= 3.33 H-ene= -- Sym= (B-S) 1124 49 GLY ( 49 ) O <> 45 ARG ( 45 ) NH2 D= 2.94 H-ene= 0.71 Sym= (B-S) 1125 49 GLY ( 49 ) N <> 46 ASN ( 46 ) C D= 3.77 H-ene= -- Sym= (B-B) 1126 49 GLY ( 49 ) N <> 46 ASN ( 46 ) O D= 2.97 H-ene= 0.57 Sym= (B-B) 1127 49 GLY ( 49 ) CA <> 46 ASN ( 46 ) O D= 3.59 H-ene= -- Sym= (B-B) 1128 49 GLY ( 49 ) N <> 47 THR ( 47 ) C D= 3.03 H-ene= -- Sym= (B-B) 1129 49 GLY ( 49 ) N <> 47 THR ( 47 ) O D= 3.15 H-ene= -- Sym= (B-B) 1130 49 GLY ( 49 ) O <> 133 HOH (HOH ) 132 D= 2.77 H-ene= 0.84 Sym= (B-W) 1131 50 SER ( 50 ) O <> 45 ARG ( 45 ) CA D= 3.67 H-ene= -- Sym= (B-B) 1132 50 SER ( 50 ) C <> 46 ASN ( 46 ) N D= 3.95 H-ene= -- Sym= (B-B) 1133 50 SER ( 50 ) O <> 46 ASN ( 46 ) N D= 2.80 H-ene= 0.73 Sym= (B-B) 1134 50 SER ( 50 ) O <> 46 ASN ( 46 ) CA D= 3.65 H-ene= -- Sym= (B-B) 1135 50 SER ( 50 ) O <> 46 ASN ( 46 ) CB D= 3.55 H-ene= -- Sym= (B-S) 1136 50 SER ( 50 ) OG <> 46 ASN ( 46 ) CB D= 3.43 H-ene= -- Sym= (S-S) 1137 50 SER ( 50 ) OG <> 46 ASN ( 46 ) CG D= 3.54 H-ene= -- Sym= (S-S) 1138 50 SER ( 50 ) OG <> 46 ASN ( 46 ) OD1 D= 2.88 H-ene= 0.79 Sym= (S-S) 1139 50 SER ( 50 ) N <> 48 ASP ( 48 ) C D= 3.36 H-ene= -- Sym= (B-B) 1140 50 SER ( 50 ) N <> 48 ASP ( 48 ) O D= 3.60 H-ene= -- Sym= (B-B) 1141 50 SER ( 50 ) N <> 48 ASP ( 48 ) CG D= 3.92 H-ene= -- Sym= (B-S) 1142 50 SER ( 50 ) N <> 48 ASP ( 48 ) OD1 D= 3.01 H-ene= 0.67 Sym= (B-S) 1143 50 SER ( 50 ) CB <> 48 ASP ( 48 ) CG D= 4.10 H-ene= -- Sym= (S-S) 1144 50 SER ( 50 ) CB <> 48 ASP ( 48 ) OD1 D= 3.42 H-ene= -- Sym= (S-S) 1145 50 SER ( 50 ) OG <> 48 ASP ( 48 ) CG D= 3.48 H-ene= -- Sym= (S-S) 1146 50 SER ( 50 ) OG <> 48 ASP ( 48 ) OD1 D= 2.68 H-ene= 0.80 Sym= (S-S) 1147 50 SER ( 50 ) CB <> 59 ASN ( 59 ) CG D= 4.08 H-ene= -- Sym= (S-S) 1148 50 SER ( 50 ) CB <> 59 ASN ( 59 ) ND2 D= 3.55 H-ene= -- Sym= (S-S) 1149 50 SER ( 50 ) OG <> 59 ASN ( 59 ) ND2 D= 2.92 H-ene= 0.94 Sym= (S-S) 1150 50 SER ( 50 ) CA <> 60 SER ( 60 ) OG D= 3.38 H-ene= -- Sym= (B-S) 1151 50 SER ( 50 ) C <> 60 SER ( 60 ) OG D= 3.59 H-ene= -- Sym= (B-S) 1152 50 SER ( 50 ) CB <> 60 SER ( 60 ) OG D= 3.44 H-ene= -- Sym= (S-S) 1153 50 SER ( 50 ) CB <> 61 ARG ( 61 ) N D= 3.84 H-ene= -- Sym= (S-B) 1154 50 SER ( 50 ) CB <> 61 ARG ( 61 ) CB D= 3.90 H-ene= -- Sym= (S-S) 1155 50 SER ( 50 ) CA <> 69 THR ( 69 ) CG2 D= 3.77 H-ene= -- Sym= (B-S) 1156 50 SER ( 50 ) CB <> 69 THR ( 69 ) CG2 D= 3.77 H-ene= -- Sym= (S-S) 1157 50 SER ( 50 ) C <> 133 HOH (HOH ) 132 D= 3.52 H-ene= -- Sym= (B-W) 1158 51 THR ( 51 ) CA <> 44 ASN ( 44 ) O D= 3.34 H-ene= -- Sym= (B-B) 1159 51 THR ( 51 ) C <> 44 ASN ( 44 ) O D= 3.51 H-ene= -- Sym= (B-B) 1160 51 THR ( 51 ) CG2 <> 44 ASN ( 44 ) N D= 3.98 H-ene= -- Sym= (S-B) 1161 51 THR ( 51 ) CG2 <> 44 ASN ( 44 ) C D= 3.82 H-ene= -- Sym= (S-B) 1162 51 THR ( 51 ) CG2 <> 44 ASN ( 44 ) O D= 3.34 H-ene= -- Sym= (S-B) 1163 51 THR ( 51 ) OG1 <> 45 ARG ( 45 ) CD D= 3.08 H-ene= -- Sym= (S-S) 1164 51 THR ( 51 ) OG1 <> 45 ARG ( 45 ) NE D= 3.38 H-ene= -- Sym= (S-S) 1165 51 THR ( 51 ) C <> 53 TYR ( 53 ) CD1 D= 3.80 H-ene= -- Sym= (B-S) 1166 51 THR ( 51 ) C <> 53 TYR ( 53 ) CE1 D= 3.65 H-ene= -- Sym= (B-S) 1167 51 THR ( 51 ) O <> 53 TYR ( 53 ) CD1 D= 3.35 H-ene= -- Sym= (B-S) 1168 51 THR ( 51 ) O <> 53 TYR ( 53 ) CE1 D= 3.29 H-ene= -- Sym= (B-S) 1169 51 THR ( 51 ) CB <> 53 TYR ( 53 ) CE1 D= 3.48 H-ene= -- Sym= (S-S) 1170 51 THR ( 51 ) CB <> 53 TYR ( 53 ) CZ D= 3.64 H-ene= -- Sym= (S-S) 1171 51 THR ( 51 ) CB <> 53 TYR ( 53 ) OH D= 3.50 H-ene= -- Sym= (S-S) 1172 51 THR ( 51 ) CG2 <> 53 TYR ( 53 ) CE1 D= 3.66 H-ene= -- Sym= (S-S) 1173 51 THR ( 51 ) CG2 <> 53 TYR ( 53 ) CE2 D= 4.07 H-ene= -- Sym= (S-S) 1174 51 THR ( 51 ) CG2 <> 53 TYR ( 53 ) CZ D= 3.57 H-ene= -- Sym= (S-S) 1175 51 THR ( 51 ) O <> 59 ASN ( 59 ) CA D= 3.59 H-ene= -- Sym= (B-B) 1176 51 THR ( 51 ) N <> 60 SER ( 60 ) CB D= 3.98 H-ene= -- Sym= (B-S) 1177 51 THR ( 51 ) N <> 60 SER ( 60 ) OG D= 2.87 H-ene= 0.88 Sym= (B-S) 1178 51 THR ( 51 ) O <> 60 SER ( 60 ) N D= 2.92 H-ene= 0.59 Sym= (B-B) 1179 51 THR ( 51 ) O <> 60 SER ( 60 ) CB D= 3.51 H-ene= -- Sym= (B-S) 1180 51 THR ( 51 ) OG1 <> 68 ARG ( 68 ) NH2 D= 2.96 H-ene= 1.00 Sym= (S-S) 1181 51 THR ( 51 ) N <> 133 HOH (HOH ) 132 D= 3.46 H-ene= -- Sym= (B-W) 1182 51 THR ( 51 ) CB <> 133 HOH (HOH ) 132 D= 3.52 H-ene= -- Sym= (S-W) 1183 51 THR ( 51 ) OG1 <> 133 HOH (HOH ) 132 D= 2.70 H-ene= 0.92 Sym= (S-W) 1184 52 ASP ( 52 ) O <> 43 THR ( 43 ) CA D= 3.19 H-ene= -- Sym= (B-B) 1185 52 ASP ( 52 ) O <> 43 THR ( 43 ) C D= 3.59 H-ene= -- Sym= (B-B) 1186 52 ASP ( 52 ) N <> 44 ASN ( 44 ) C D= 3.89 H-ene= -- Sym= (B-B) 1187 52 ASP ( 52 ) N <> 44 ASN ( 44 ) O D= 2.74 H-ene= 0.72 Sym= (B-B) 1188 52 ASP ( 52 ) O <> 44 ASN ( 44 ) N D= 3.03 H-ene= 0.65 Sym= (B-B) 1189 52 ASP ( 52 ) CG <> 46 ASN ( 46 ) OD1 D= 3.56 H-ene= -- Sym= (S-S) 1190 52 ASP ( 52 ) CG <> 46 ASN ( 46 ) ND2 D= 3.91 H-ene= -- Sym= (S-S) 1191 52 ASP ( 52 ) OD1 <> 46 ASN ( 46 ) OD1 D= 3.10 H-ene= 0.12 Sym= (S-S) 1192 52 ASP ( 52 ) OD2 <> 46 ASN ( 46 ) ND2 D= 3.35 H-ene= 0.55 Sym= (S-S) 1193 52 ASP ( 52 ) C <> 57 GLN ( 57 ) NE2 D= 3.87 H-ene= -- Sym= (B-S) 1194 52 ASP ( 52 ) CB <> 57 GLN ( 57 ) CA D= 4.02 H-ene= -- Sym= (S-B) 1195 52 ASP ( 52 ) CB <> 57 GLN ( 57 ) C D= 3.88 H-ene= -- Sym= (S-B) 1196 52 ASP ( 52 ) CB <> 57 GLN ( 57 ) O D= 3.63 H-ene= -- Sym= (S-B) 1197 52 ASP ( 52 ) CB <> 57 GLN ( 57 ) CB D= 3.83 H-ene= -- Sym= (S-S) 1198 52 ASP ( 52 ) CB <> 57 GLN ( 57 ) CD D= 3.74 H-ene= -- Sym= (S-S) 1199 52 ASP ( 52 ) CB <> 57 GLN ( 57 ) OE1 D= 3.26 H-ene= -- Sym= (S-S) 1200 52 ASP ( 52 ) CA <> 58 ILE ( 58 ) C D= 4.04 H-ene= -- Sym= (B-B) 1201 52 ASP ( 52 ) CA <> 58 ILE ( 58 ) O D= 3.37 H-ene= -- Sym= (B-B) 1202 52 ASP ( 52 ) C <> 58 ILE ( 58 ) O D= 3.57 H-ene= -- Sym= (B-B) 1203 52 ASP ( 52 ) CG <> 59 ASN ( 59 ) ND2 D= 3.97 H-ene= -- Sym= (S-S) 1204 52 ASP ( 52 ) OD1 <> 59 ASN ( 59 ) CA D= 3.48 H-ene= -- Sym= (S-B) 1205 52 ASP ( 52 ) OD1 <> 59 ASN ( 59 ) CB D= 3.33 H-ene= -- Sym= (S-S) 1206 52 ASP ( 52 ) OD1 <> 59 ASN ( 59 ) CG D= 3.53 H-ene= -- Sym= (S-S) 1207 52 ASP ( 52 ) OD1 <> 59 ASN ( 59 ) ND2 D= 2.80 H-ene= 0.73 Sym= (S-S) 1208 52 ASP ( 52 ) CG <> 133 HOH (HOH ) 218 D= 3.22 H-ene= -- Sym= (S-W) 1209 52 ASP ( 52 ) OD1 <> 133 HOH (HOH ) 218 D= 2.94 H-ene= 0.62 Sym= (S-W) 1210 52 ASP ( 52 ) OD2 <> 133 HOH (HOH ) 146 D= 3.03 H-ene= 0.91 Sym= (S-W) 1211 52 ASP ( 52 ) OD2 <> 133 HOH (HOH ) 218 D= 2.80 H-ene= 0.75 Sym= (S-W) 1212 53 TYR ( 53 ) CA <> 42 ALA ( 42 ) O D= 3.69 H-ene= -- Sym= (B-B) 1213 53 TYR ( 53 ) C <> 42 ALA ( 42 ) O D= 3.68 H-ene= -- Sym= (B-B) 1214 53 TYR ( 53 ) CD2 <> 43 THR ( 43 ) CG2 D= 3.83 H-ene= -- Sym= (S-S) 1215 53 TYR ( 53 ) CD1 <> 51 THR ( 51 ) C D= 3.80 H-ene= -- Sym= (S-B) 1216 53 TYR ( 53 ) CD1 <> 51 THR ( 51 ) O D= 3.35 H-ene= -- Sym= (S-B) 1217 53 TYR ( 53 ) CE1 <> 51 THR ( 51 ) C D= 3.65 H-ene= -- Sym= (S-B) 1218 53 TYR ( 53 ) CE1 <> 51 THR ( 51 ) O D= 3.29 H-ene= -- Sym= (S-B) 1219 53 TYR ( 53 ) CE1 <> 51 THR ( 51 ) CB D= 3.48 H-ene= -- Sym= (S-S) 1220 53 TYR ( 53 ) CE1 <> 51 THR ( 51 ) CG2 D= 3.66 H-ene= -- Sym= (S-S) 1221 53 TYR ( 53 ) CE2 <> 51 THR ( 51 ) CG2 D= 4.07 H-ene= -- Sym= (S-S) 1222 53 TYR ( 53 ) CZ <> 51 THR ( 51 ) CB D= 3.64 H-ene= -- Sym= (S-S) 1223 53 TYR ( 53 ) CZ <> 51 THR ( 51 ) CG2 D= 3.57 H-ene= -- Sym= (S-S) 1224 53 TYR ( 53 ) OH <> 51 THR ( 51 ) CB D= 3.50 H-ene= -- Sym= (S-S) 1225 53 TYR ( 53 ) N <> 57 GLN ( 57 ) CA D= 3.84 H-ene= -- Sym= (B-B) 1226 53 TYR ( 53 ) N <> 57 GLN ( 57 ) C D= 3.79 H-ene= -- Sym= (B-B) 1227 53 TYR ( 53 ) CA <> 57 GLN ( 57 ) NE2 D= 3.89 H-ene= -- Sym= (B-S) 1228 53 TYR ( 53 ) C <> 57 GLN ( 57 ) CA D= 3.82 H-ene= -- Sym= (B-B) 1229 53 TYR ( 53 ) C <> 57 GLN ( 57 ) NE2 D= 3.64 H-ene= -- Sym= (B-S) 1230 53 TYR ( 53 ) O <> 57 GLN ( 57 ) N D= 3.36 H-ene= -- Sym= (B-B) 1231 53 TYR ( 53 ) O <> 57 GLN ( 57 ) CA D= 3.35 H-ene= -- Sym= (B-B) 1232 53 TYR ( 53 ) O <> 57 GLN ( 57 ) C D= 3.60 H-ene= -- Sym= (B-B) 1233 53 TYR ( 53 ) N <> 58 ILE ( 58 ) N D= 3.62 H-ene= -- Sym= (B-B) 1234 53 TYR ( 53 ) N <> 58 ILE ( 58 ) C D= 3.80 H-ene= -- Sym= (B-B) 1235 53 TYR ( 53 ) N <> 58 ILE ( 58 ) O D= 2.86 H-ene= 0.58 Sym= (B-B) 1236 53 TYR ( 53 ) C <> 58 ILE ( 58 ) N D= 3.87 H-ene= -- Sym= (B-B) 1237 53 TYR ( 53 ) O <> 58 ILE ( 58 ) N D= 2.94 H-ene= 0.58 Sym= (B-B) 1238 53 TYR ( 53 ) CD1 <> 58 ILE ( 58 ) O D= 3.67 H-ene= -- Sym= (S-B) 1239 53 TYR ( 53 ) CE1 <> 60 SER ( 60 ) CB D= 3.90 H-ene= -- Sym= (S-S) 1240 53 TYR ( 53 ) CD1 <> 64 CYS ( 64 ) SG D= 4.02 H-ene= -- Sym= (S-S) 1241 53 TYR ( 53 ) CE1 <> 66 ASP ( 66 ) OD2 D= 3.69 H-ene= -- Sym= (S-S) 1242 53 TYR ( 53 ) CZ <> 66 ASP ( 66 ) CB D= 3.93 H-ene= -- Sym= (S-S) 1243 53 TYR ( 53 ) CZ <> 66 ASP ( 66 ) OD2 D= 3.66 H-ene= -- Sym= (S-S) 1244 53 TYR ( 53 ) OH <> 66 ASP ( 66 ) CB D= 3.18 H-ene= -- Sym= (S-S) 1245 53 TYR ( 53 ) OH <> 66 ASP ( 66 ) CG D= 3.42 H-ene= -- Sym= (S-S) 1246 53 TYR ( 53 ) OH <> 66 ASP ( 66 ) OD2 D= 2.76 H-ene= 0.90 Sym= (S-S) 1247 53 TYR ( 53 ) CG <> 80 CYS ( 80 ) CB D= 3.66 H-ene= -- Sym= (S-S) 1248 53 TYR ( 53 ) CD1 <> 80 CYS ( 80 ) CB D= 3.45 H-ene= -- Sym= (S-S) 1249 53 TYR ( 53 ) CD1 <> 80 CYS ( 80 ) SG D= 3.81 H-ene= -- Sym= (S-S) 1250 53 TYR ( 53 ) CD2 <> 80 CYS ( 80 ) CB D= 3.81 H-ene= -- Sym= (S-S) 1251 53 TYR ( 53 ) CE1 <> 80 CYS ( 80 ) CB D= 3.42 H-ene= -- Sym= (S-S) 1252 53 TYR ( 53 ) CE1 <> 80 CYS ( 80 ) SG D= 3.59 H-ene= -- Sym= (S-S) 1253 53 TYR ( 53 ) CE2 <> 80 CYS ( 80 ) CB D= 3.78 H-ene= -- Sym= (S-S) 1254 53 TYR ( 53 ) CZ <> 80 CYS ( 80 ) CB D= 3.58 H-ene= -- Sym= (S-S) 1255 53 TYR ( 53 ) CZ <> 80 CYS ( 80 ) SG D= 4.18 H-ene= -- Sym= (S-S) 1256 53 TYR ( 53 ) CB <> 83 LEU ( 83 ) CB D= 3.99 H-ene= -- Sym= (S-S) 1257 53 TYR ( 53 ) CB <> 83 LEU ( 83 ) CD1 D= 4.07 H-ene= -- Sym= (S-S) 1258 53 TYR ( 53 ) CB <> 84 LEU ( 84 ) CD2 D= 4.08 H-ene= -- Sym= (S-S) 1259 53 TYR ( 53 ) O <> 133 HOH (HOH ) 142 D= 2.90 H-ene= 0.89 Sym= (B-W) 1260 54 GLY ( 54 ) O <> 36 SER ( 36 ) CB D= 3.54 H-ene= -- Sym= (B-S) 1261 54 GLY ( 54 ) CA <> 40 THR ( 40 ) O D= 3.30 H-ene= -- Sym= (B-B) 1262 54 GLY ( 54 ) N <> 42 ALA ( 42 ) O D= 2.84 H-ene= 0.59 Sym= (B-B) 1263 54 GLY ( 54 ) CA <> 42 ALA ( 42 ) O D= 3.67 H-ene= -- Sym= (B-B) 1264 54 GLY ( 54 ) C <> 56 LEU ( 56 ) N D= 3.13 H-ene= -- Sym= (B-B) 1265 54 GLY ( 54 ) O <> 56 LEU ( 56 ) N D= 3.11 H-ene= -- Sym= (B-B) 1266 54 GLY ( 54 ) N <> 57 GLN ( 57 ) NE2 D= 3.54 H-ene= -- Sym= (B-S) 1267 54 GLY ( 54 ) C <> 57 GLN ( 57 ) N D= 3.58 H-ene= -- Sym= (B-B) 1268 54 GLY ( 54 ) C <> 57 GLN ( 57 ) NE2 D= 3.84 H-ene= -- Sym= (B-S) 1269 54 GLY ( 54 ) O <> 57 GLN ( 57 ) N D= 2.91 H-ene= 0.49 Sym= (B-B) 1270 54 GLY ( 54 ) O <> 57 GLN ( 57 ) CA D= 3.58 H-ene= -- Sym= (B-B) 1271 54 GLY ( 54 ) O <> 57 GLN ( 57 ) CG D= 3.67 H-ene= -- Sym= (B-S) 1272 54 GLY ( 54 ) O <> 57 GLN ( 57 ) NE2 D= 2.86 H-ene= 0.89 Sym= (B-S) 1273 54 GLY ( 54 ) CA <> 83 LEU ( 83 ) O D= 3.27 H-ene= -- Sym= (B-B) 1274 54 GLY ( 54 ) N <> 84 LEU ( 84 ) CD2 D= 3.28 H-ene= -- Sym= (B-S) 1275 54 GLY ( 54 ) CA <> 84 LEU ( 84 ) CD2 D= 3.78 H-ene= -- Sym= (B-S) 1276 54 GLY ( 54 ) CA <> 133 HOH (HOH ) 142 D= 3.52 H-ene= -- Sym= (B-W) 1277 54 GLY ( 54 ) CA <> 133 HOH (HOH ) 155 D= 3.56 H-ene= -- Sym= (B-W) 1278 54 GLY ( 54 ) C <> 133 HOH (HOH ) 142 D= 3.48 H-ene= -- Sym= (B-W) 1279 55 ILE ( 55 ) CD1 <> 3 PHE ( 3 ) CD1 D= 3.90 H-ene= -- Sym= (S-S) 1280 55 ILE ( 55 ) CD1 <> 8 LEU ( 8 ) CD1 D= 3.61 H-ene= -- Sym= (S-S) 1281 55 ILE ( 55 ) CD1 <> 8 LEU ( 8 ) CD2 D= 3.87 H-ene= -- Sym= (S-S) 1282 55 ILE ( 55 ) O <> 32 ALA ( 32 ) CA D= 3.62 H-ene= -- Sym= (B-B) 1283 55 ILE ( 55 ) CG1 <> 32 ALA ( 32 ) CB D= 4.02 H-ene= -- Sym= (S-S) 1284 55 ILE ( 55 ) CA <> 36 SER ( 36 ) CB D= 3.63 H-ene= -- Sym= (B-S) 1285 55 ILE ( 55 ) CA <> 36 SER ( 36 ) OG D= 3.23 H-ene= -- Sym= (B-S) 1286 55 ILE ( 55 ) C <> 36 SER ( 36 ) CB D= 3.75 H-ene= -- Sym= (B-S) 1287 55 ILE ( 55 ) C <> 36 SER ( 36 ) OG D= 3.39 H-ene= -- Sym= (B-S) 1288 55 ILE ( 55 ) O <> 36 SER ( 36 ) CB D= 3.29 H-ene= -- Sym= (B-S) 1289 55 ILE ( 55 ) O <> 36 SER ( 36 ) OG D= 2.79 H-ene= 0.65 Sym= (B-S) 1290 55 ILE ( 55 ) CG1 <> 36 SER ( 36 ) OG D= 3.40 H-ene= -- Sym= (S-S) 1291 55 ILE ( 55 ) CG1 <> 38 PHE ( 38 ) CA D= 4.07 H-ene= -- Sym= (S-B) 1292 55 ILE ( 55 ) CD1 <> 38 PHE ( 38 ) CA D= 4.01 H-ene= -- Sym= (S-B) 1293 55 ILE ( 55 ) CD1 <> 38 PHE ( 38 ) C D= 3.92 H-ene= -- Sym= (S-B) 1294 55 ILE ( 55 ) C <> 57 GLN ( 57 ) N D= 3.43 H-ene= -- Sym= (B-B) 1295 55 ILE ( 55 ) N <> 133 HOH (HOH ) 142 D= 3.40 H-ene= -- Sym= (B-W) 1296 55 ILE ( 55 ) N <> 133 HOH (HOH ) 155 D= 2.84 H-ene= 0.91 Sym= (B-W) 1297 55 ILE ( 55 ) CA <> 133 HOH (HOH ) 155 D= 3.67 H-ene= -- Sym= (B-W) 1298 55 ILE ( 55 ) CB <> 133 HOH (HOH ) 155 D= 3.32 H-ene= -- Sym= (S-W) 1299 55 ILE ( 55 ) CG2 <> 133 HOH (HOH ) 155 D= 3.13 H-ene= -- Sym= (S-W) 1300 56 LEU ( 56 ) CD2 <> 32 ALA ( 32 ) N D= 3.96 H-ene= -- Sym= (S-B) 1301 56 LEU ( 56 ) CD2 <> 32 ALA ( 32 ) CA D= 4.04 H-ene= -- Sym= (S-B) 1302 56 LEU ( 56 ) N <> 54 GLY ( 54 ) C D= 3.13 H-ene= -- Sym= (B-B) 1303 56 LEU ( 56 ) N <> 54 GLY ( 54 ) O D= 3.11 H-ene= -- Sym= (B-B) 1304 56 LEU ( 56 ) C <> 58 ILE ( 58 ) N D= 3.35 H-ene= -- Sym= (B-B) 1305 56 LEU ( 56 ) O <> 58 ILE ( 58 ) N D= 3.24 H-ene= -- Sym= (B-B) 1306 56 LEU ( 56 ) CD1 <> 95 ALA ( 95 ) CB D= 3.64 H-ene= -- Sym= (S-S) 1307 56 LEU ( 56 ) C <> 108 TRP ( 108 ) NE1 D= 3.80 H-ene= -- Sym= (B-S) 1308 56 LEU ( 56 ) O <> 108 TRP ( 108 ) CD1 D= 3.14 H-ene= -- Sym= (B-S) 1309 56 LEU ( 56 ) O <> 108 TRP ( 108 ) NE1 D= 2.71 H-ene= 0.57 Sym= (B-S) 1310 56 LEU ( 56 ) CB <> 108 TRP ( 108 ) NE1 D= 3.84 H-ene= -- Sym= (S-S) 1311 56 LEU ( 56 ) N <> 133 HOH (HOH ) 142 D= 2.90 H-ene= 0.78 Sym= (B-W) 1312 56 LEU ( 56 ) CA <> 133 HOH (HOH ) 142 D= 3.54 H-ene= -- Sym= (B-W) 1313 56 LEU ( 56 ) CB <> 133 HOH (HOH ) 142 D= 3.62 H-ene= -- Sym= (S-W) 1314 57 GLN ( 57 ) CB <> 35 GLU ( 35 ) CB D= 4.09 H-ene= -- Sym= (S-S) 1315 57 GLN ( 57 ) CB <> 35 GLU ( 35 ) OE1 D= 3.34 H-ene= -- Sym= (S-S) 1316 57 GLN ( 57 ) CG <> 35 GLU ( 35 ) C D= 3.71 H-ene= -- Sym= (S-B) 1317 57 GLN ( 57 ) CG <> 35 GLU ( 35 ) O D= 3.27 H-ene= -- Sym= (S-B) 1318 57 GLN ( 57 ) CG <> 35 GLU ( 35 ) CB D= 3.76 H-ene= -- Sym= (S-S) 1319 57 GLN ( 57 ) CG <> 35 GLU ( 35 ) OE1 D= 3.53 H-ene= -- Sym= (S-S) 1320 57 GLN ( 57 ) NE2 <> 42 ALA ( 42 ) C D= 3.53 H-ene= -- Sym= (S-B) 1321 57 GLN ( 57 ) NE2 <> 42 ALA ( 42 ) O D= 3.11 H-ene= -- Sym= (S-B) 1322 57 GLN ( 57 ) NE2 <> 42 ALA ( 42 ) CB D= 3.73 H-ene= -- Sym= (S-S) 1323 57 GLN ( 57 ) CD <> 44 ASN ( 44 ) OD1 D= 3.64 H-ene= -- Sym= (S-S) 1324 57 GLN ( 57 ) OE1 <> 44 ASN ( 44 ) CB D= 3.51 H-ene= -- Sym= (S-S) 1325 57 GLN ( 57 ) OE1 <> 44 ASN ( 44 ) CG D= 3.53 H-ene= -- Sym= (S-S) 1326 57 GLN ( 57 ) OE1 <> 44 ASN ( 44 ) OD1 D= 2.82 H-ene= -- Sym= (S-S) 1327 57 GLN ( 57 ) CA <> 52 ASP ( 52 ) CB D= 4.02 H-ene= -- Sym= (B-S) 1328 57 GLN ( 57 ) C <> 52 ASP ( 52 ) CB D= 3.88 H-ene= -- Sym= (B-S) 1329 57 GLN ( 57 ) O <> 52 ASP ( 52 ) CB D= 3.63 H-ene= -- Sym= (B-S) 1330 57 GLN ( 57 ) CB <> 52 ASP ( 52 ) CB D= 3.83 H-ene= -- Sym= (S-S) 1331 57 GLN ( 57 ) CD <> 52 ASP ( 52 ) CB D= 3.74 H-ene= -- Sym= (S-S) 1332 57 GLN ( 57 ) OE1 <> 52 ASP ( 52 ) CB D= 3.26 H-ene= -- Sym= (S-S) 1333 57 GLN ( 57 ) NE2 <> 52 ASP ( 52 ) C D= 3.87 H-ene= -- Sym= (S-B) 1334 57 GLN ( 57 ) N <> 53 TYR ( 53 ) O D= 3.36 H-ene= -- Sym= (B-B) 1335 57 GLN ( 57 ) CA <> 53 TYR ( 53 ) N D= 3.84 H-ene= -- Sym= (B-B) 1336 57 GLN ( 57 ) CA <> 53 TYR ( 53 ) C D= 3.82 H-ene= -- Sym= (B-B) 1337 57 GLN ( 57 ) CA <> 53 TYR ( 53 ) O D= 3.35 H-ene= -- Sym= (B-B) 1338 57 GLN ( 57 ) C <> 53 TYR ( 53 ) N D= 3.79 H-ene= -- Sym= (B-B) 1339 57 GLN ( 57 ) C <> 53 TYR ( 53 ) O D= 3.60 H-ene= -- Sym= (B-B) 1340 57 GLN ( 57 ) NE2 <> 53 TYR ( 53 ) CA D= 3.89 H-ene= -- Sym= (S-B) 1341 57 GLN ( 57 ) NE2 <> 53 TYR ( 53 ) C D= 3.64 H-ene= -- Sym= (S-B) 1342 57 GLN ( 57 ) N <> 54 GLY ( 54 ) C D= 3.58 H-ene= -- Sym= (B-B) 1343 57 GLN ( 57 ) N <> 54 GLY ( 54 ) O D= 2.91 H-ene= 0.49 Sym= (B-B) 1344 57 GLN ( 57 ) CA <> 54 GLY ( 54 ) O D= 3.58 H-ene= -- Sym= (B-B) 1345 57 GLN ( 57 ) CG <> 54 GLY ( 54 ) O D= 3.67 H-ene= -- Sym= (S-B) 1346 57 GLN ( 57 ) NE2 <> 54 GLY ( 54 ) N D= 3.54 H-ene= -- Sym= (S-B) 1347 57 GLN ( 57 ) NE2 <> 54 GLY ( 54 ) C D= 3.84 H-ene= -- Sym= (S-B) 1348 57 GLN ( 57 ) NE2 <> 54 GLY ( 54 ) O D= 2.86 H-ene= 0.89 Sym= (S-B) 1349 57 GLN ( 57 ) N <> 55 ILE ( 55 ) C D= 3.43 H-ene= -- Sym= (B-B) 1350 57 GLN ( 57 ) C <> 59 ASN ( 59 ) N D= 3.89 H-ene= -- Sym= (B-B) 1351 57 GLN ( 57 ) O <> 59 ASN ( 59 ) N D= 3.54 H-ene= -- Sym= (B-B) 1352 57 GLN ( 57 ) N <> 133 HOH (HOH ) 142 D= 3.60 H-ene= -- Sym= (B-W) 1353 57 GLN ( 57 ) O <> 133 HOH (HOH ) 173 D= 2.80 H-ene= 0.70 Sym= (B-W) 1354 57 GLN ( 57 ) CG <> 133 HOH (HOH ) 146 D= 3.68 H-ene= -- Sym= (S-W) 1355 57 GLN ( 57 ) CD <> 133 HOH (HOH ) 146 D= 3.61 H-ene= -- Sym= (S-W) 1356 57 GLN ( 57 ) OE1 <> 133 HOH (HOH ) 146 D= 2.78 H-ene= 0.98 Sym= (S-W) 1357 58 ILE ( 58 ) C <> 52 ASP ( 52 ) CA D= 4.04 H-ene= -- Sym= (B-B) 1358 58 ILE ( 58 ) O <> 52 ASP ( 52 ) CA D= 3.37 H-ene= -- Sym= (B-B) 1359 58 ILE ( 58 ) O <> 52 ASP ( 52 ) C D= 3.57 H-ene= -- Sym= (B-B) 1360 58 ILE ( 58 ) N <> 53 TYR ( 53 ) N D= 3.62 H-ene= -- Sym= (B-B) 1361 58 ILE ( 58 ) N <> 53 TYR ( 53 ) C D= 3.87 H-ene= -- Sym= (B-B) 1362 58 ILE ( 58 ) N <> 53 TYR ( 53 ) O D= 2.94 H-ene= 0.58 Sym= (B-B) 1363 58 ILE ( 58 ) C <> 53 TYR ( 53 ) N D= 3.80 H-ene= -- Sym= (B-B) 1364 58 ILE ( 58 ) O <> 53 TYR ( 53 ) N D= 2.86 H-ene= 0.58 Sym= (B-B) 1365 58 ILE ( 58 ) O <> 53 TYR ( 53 ) CD1 D= 3.67 H-ene= -- Sym= (B-S) 1366 58 ILE ( 58 ) N <> 56 LEU ( 56 ) C D= 3.35 H-ene= -- Sym= (B-B) 1367 58 ILE ( 58 ) N <> 56 LEU ( 56 ) O D= 3.24 H-ene= -- Sym= (B-B) 1368 58 ILE ( 58 ) CG2 <> 63 TRP ( 63 ) CB D= 3.43 H-ene= -- Sym= (S-S) 1369 58 ILE ( 58 ) CG2 <> 63 TRP ( 63 ) CG D= 3.99 H-ene= -- Sym= (S-S) 1370 58 ILE ( 58 ) CG2 <> 63 TRP ( 63 ) CD1 D= 4.08 H-ene= -- Sym= (S-S) 1371 58 ILE ( 58 ) CB <> 83 LEU ( 83 ) CD1 D= 3.79 H-ene= -- Sym= (S-S) 1372 58 ILE ( 58 ) CG2 <> 83 LEU ( 83 ) CD1 D= 3.80 H-ene= -- Sym= (S-S) 1373 58 ILE ( 58 ) CD1 <> 91 SER ( 91 ) O D= 3.70 H-ene= -- Sym= (S-B) 1374 58 ILE ( 58 ) CG2 <> 94 CYS ( 94 ) SG D= 3.85 H-ene= -- Sym= (S-S) 1375 58 ILE ( 58 ) CD1 <> 94 CYS ( 94 ) CB D= 3.77 H-ene= -- Sym= (S-S) 1376 58 ILE ( 58 ) CD1 <> 94 CYS ( 94 ) SG D= 3.84 H-ene= -- Sym= (S-S) 1377 58 ILE ( 58 ) CG1 <> 98 ILE ( 98 ) CD1 D= 3.71 H-ene= -- Sym= (S-S) 1378 58 ILE ( 58 ) CG2 <> 98 ILE ( 98 ) CD1 D= 3.96 H-ene= -- Sym= (S-S) 1379 58 ILE ( 58 ) CD1 <> 98 ILE ( 98 ) CD1 D= 3.97 H-ene= -- Sym= (S-S) 1380 58 ILE ( 58 ) CA <> 133 HOH (HOH ) 139 D= 3.44 H-ene= -- Sym= (B-W) 1381 58 ILE ( 58 ) C <> 133 HOH (HOH ) 139 D= 3.61 H-ene= -- Sym= (B-W) 1382 59 ASN ( 59 ) ND2 <> 46 ASN ( 46 ) CG D= 3.85 H-ene= -- Sym= (S-S) 1383 59 ASN ( 59 ) ND2 <> 46 ASN ( 46 ) OD1 D= 2.69 H-ene= 0.34 Sym= (S-S) 1384 59 ASN ( 59 ) CG <> 50 SER ( 50 ) CB D= 4.08 H-ene= -- Sym= (S-S) 1385 59 ASN ( 59 ) ND2 <> 50 SER ( 50 ) CB D= 3.55 H-ene= -- Sym= (S-S) 1386 59 ASN ( 59 ) ND2 <> 50 SER ( 50 ) OG D= 2.92 H-ene= 0.94 Sym= (S-S) 1387 59 ASN ( 59 ) CA <> 51 THR ( 51 ) O D= 3.59 H-ene= -- Sym= (B-B) 1388 59 ASN ( 59 ) CA <> 52 ASP ( 52 ) OD1 D= 3.48 H-ene= -- Sym= (B-S) 1389 59 ASN ( 59 ) CB <> 52 ASP ( 52 ) OD1 D= 3.33 H-ene= -- Sym= (S-S) 1390 59 ASN ( 59 ) CG <> 52 ASP ( 52 ) OD1 D= 3.53 H-ene= -- Sym= (S-S) 1391 59 ASN ( 59 ) ND2 <> 52 ASP ( 52 ) CG D= 3.97 H-ene= -- Sym= (S-S) 1392 59 ASN ( 59 ) ND2 <> 52 ASP ( 52 ) OD1 D= 2.80 H-ene= 0.73 Sym= (S-S) 1393 59 ASN ( 59 ) N <> 57 GLN ( 57 ) C D= 3.89 H-ene= -- Sym= (B-B) 1394 59 ASN ( 59 ) N <> 57 GLN ( 57 ) O D= 3.54 H-ene= -- Sym= (B-B) 1395 59 ASN ( 59 ) C <> 61 ARG ( 61 ) N D= 3.23 H-ene= -- Sym= (B-B) 1396 59 ASN ( 59 ) O <> 61 ARG ( 61 ) N D= 3.36 H-ene= -- Sym= (B-B) 1397 59 ASN ( 59 ) CG <> 61 ARG ( 61 ) N D= 3.59 H-ene= -- Sym= (S-B) 1398 59 ASN ( 59 ) CG <> 61 ARG ( 61 ) CB D= 3.85 H-ene= -- Sym= (S-S) 1399 59 ASN ( 59 ) OD1 <> 61 ARG ( 61 ) N D= 2.79 H-ene= 0.40 Sym= (S-B) 1400 59 ASN ( 59 ) OD1 <> 61 ARG ( 61 ) CA D= 3.25 H-ene= -- Sym= (S-B) 1401 59 ASN ( 59 ) OD1 <> 61 ARG ( 61 ) CB D= 2.67 H-ene= -- Sym= (S-S) 1402 59 ASN ( 59 ) O <> 62 TRP ( 62 ) N D= 3.50 H-ene= 0.38 Sym= (B-B) 1403 59 ASN ( 59 ) O <> 63 TRP ( 63 ) N D= 2.98 H-ene= 0.64 Sym= (B-B) 1404 59 ASN ( 59 ) O <> 63 TRP ( 63 ) CB D= 3.53 H-ene= -- Sym= (B-S) 1405 59 ASN ( 59 ) O <> 63 TRP ( 63 ) CD1 D= 3.39 H-ene= -- Sym= (B-S) 1406 59 ASN ( 59 ) N <> 133 HOH (HOH ) 139 D= 2.81 H-ene= 0.77 Sym= (B-W) 1407 59 ASN ( 59 ) CB <> 133 HOH (HOH ) 139 D= 3.43 H-ene= -- Sym= (S-W) 1408 59 ASN ( 59 ) CB <> 133 HOH (HOH ) 233 D= 3.40 H-ene= -- Sym= (S-W) 1409 59 ASN ( 59 ) CG <> 133 HOH (HOH ) 233 D= 3.69 H-ene= -- Sym= (S-W) 1410 60 SER ( 60 ) OG <> 50 SER ( 50 ) CA D= 3.38 H-ene= -- Sym= (S-B) 1411 60 SER ( 60 ) OG <> 50 SER ( 50 ) C D= 3.59 H-ene= -- Sym= (S-B) 1412 60 SER ( 60 ) OG <> 50 SER ( 50 ) CB D= 3.44 H-ene= -- Sym= (S-S) 1413 60 SER ( 60 ) N <> 51 THR ( 51 ) O D= 2.92 H-ene= 0.59 Sym= (B-B) 1414 60 SER ( 60 ) CB <> 51 THR ( 51 ) N D= 3.98 H-ene= -- Sym= (S-B) 1415 60 SER ( 60 ) CB <> 51 THR ( 51 ) O D= 3.51 H-ene= -- Sym= (S-B) 1416 60 SER ( 60 ) OG <> 51 THR ( 51 ) N D= 2.87 H-ene= 0.88 Sym= (S-B) 1417 60 SER ( 60 ) CB <> 53 TYR ( 53 ) CE1 D= 3.90 H-ene= -- Sym= (S-S) 1418 60 SER ( 60 ) C <> 62 TRP ( 62 ) N D= 3.15 H-ene= -- Sym= (B-B) 1419 60 SER ( 60 ) O <> 62 TRP ( 62 ) N D= 3.33 H-ene= -- Sym= (B-B) 1420 60 SER ( 60 ) CA <> 64 CYS ( 64 ) O D= 3.56 H-ene= -- Sym= (B-B) 1421 60 SER ( 60 ) CA <> 64 CYS ( 64 ) SG D= 3.88 H-ene= -- Sym= (B-S) 1422 60 SER ( 60 ) O <> 64 CYS ( 64 ) O D= 3.12 H-ene= -- Sym= (B-B) 1423 60 SER ( 60 ) CB <> 64 CYS ( 64 ) SG D= 4.18 H-ene= -- Sym= (S-S) 1424 60 SER ( 60 ) CB <> 66 ASP ( 66 ) CG D= 3.73 H-ene= -- Sym= (S-S) 1425 60 SER ( 60 ) CB <> 66 ASP ( 66 ) OD2 D= 3.35 H-ene= -- Sym= (S-S) 1426 60 SER ( 60 ) OG <> 66 ASP ( 66 ) OD2 D= 3.27 H-ene= 0.23 Sym= (S-S) 1427 60 SER ( 60 ) CB <> 69 THR ( 69 ) OG1 D= 3.60 H-ene= -- Sym= (S-S) 1428 60 SER ( 60 ) OG <> 69 THR ( 69 ) OG1 D= 2.85 H-ene= 0.98 Sym= (S-S) 1429 60 SER ( 60 ) O <> 72 SER ( 72 ) CB D= 3.22 H-ene= -- Sym= (B-S) 1430 60 SER ( 60 ) O <> 72 SER ( 72 ) OG D= 3.25 H-ene= -- Sym= (B-S) 1431 60 SER ( 60 ) CA <> 80 CYS ( 80 ) SG D= 4.17 H-ene= -- Sym= (B-S) 1432 60 SER ( 60 ) CB <> 80 CYS ( 80 ) SG D= 3.73 H-ene= -- Sym= (S-S) 1433 60 SER ( 60 ) C <> 131 NA ( 131 ) NA D= 3.39 H-ene= -- Sym= (B-B) 1434 60 SER ( 60 ) O <> 131 NA ( 131 ) NA D= 2.20 H-ene= -- Sym= (B-B) 1435 61 ARG ( 61 ) NE <> 48 ASP ( 48 ) CG D= 3.98 H-ene= -- Sym= (S-S) 1436 61 ARG ( 61 ) NE <> 48 ASP ( 48 ) OD2 D= 3.28 H-ene= 0.57 Sym= (S-S) 1437 61 ARG ( 61 ) NH2 <> 48 ASP ( 48 ) C D= 3.54 H-ene= -- Sym= (S-B) 1438 61 ARG ( 61 ) NH2 <> 48 ASP ( 48 ) O D= 2.75 H-ene= 0.35 Sym= (S-B) 1439 61 ARG ( 61 ) NH2 <> 48 ASP ( 48 ) CB D= 3.46 H-ene= -- Sym= (S-S) 1440 61 ARG ( 61 ) NH2 <> 48 ASP ( 48 ) CG D= 3.29 H-ene= -- Sym= (S-S) 1441 61 ARG ( 61 ) NH2 <> 48 ASP ( 48 ) OD2 D= 3.36 H-ene= -- Sym= (S-S) 1442 61 ARG ( 61 ) N <> 50 SER ( 50 ) CB D= 3.84 H-ene= -- Sym= (B-S) 1443 61 ARG ( 61 ) CB <> 50 SER ( 50 ) CB D= 3.90 H-ene= -- Sym= (S-S) 1444 61 ARG ( 61 ) N <> 59 ASN ( 59 ) C D= 3.23 H-ene= -- Sym= (B-B) 1445 61 ARG ( 61 ) N <> 59 ASN ( 59 ) O D= 3.36 H-ene= -- Sym= (B-B) 1446 61 ARG ( 61 ) N <> 59 ASN ( 59 ) CG D= 3.59 H-ene= -- Sym= (B-S) 1447 61 ARG ( 61 ) N <> 59 ASN ( 59 ) OD1 D= 2.79 H-ene= 0.40 Sym= (B-S) 1448 61 ARG ( 61 ) CA <> 59 ASN ( 59 ) OD1 D= 3.25 H-ene= -- Sym= (B-S) 1449 61 ARG ( 61 ) CB <> 59 ASN ( 59 ) CG D= 3.85 H-ene= -- Sym= (S-S) 1450 61 ARG ( 61 ) CB <> 59 ASN ( 59 ) OD1 D= 2.67 H-ene= -- Sym= (S-S) 1451 61 ARG ( 61 ) CA <> 69 THR ( 69 ) CG2 D= 3.98 H-ene= -- Sym= (B-S) 1452 61 ARG ( 61 ) CZ <> 69 THR ( 69 ) CG2 D= 3.66 H-ene= -- Sym= (S-S) 1453 61 ARG ( 61 ) NH1 <> 69 THR ( 69 ) CG2 D= 3.49 H-ene= -- Sym= (S-S) 1454 61 ARG ( 61 ) NH2 <> 69 THR ( 69 ) CG2 D= 3.97 H-ene= -- Sym= (S-S) 1455 61 ARG ( 61 ) NH1 <> 70 PRO ( 70 ) O D= 3.15 H-ene= 0.29 Sym= (S-B) 1456 61 ARG ( 61 ) CA <> 72 SER ( 72 ) CB D= 3.71 H-ene= -- Sym= (B-S) 1457 61 ARG ( 61 ) C <> 72 SER ( 72 ) CB D= 3.71 H-ene= -- Sym= (B-S) 1458 61 ARG ( 61 ) O <> 72 SER ( 72 ) CA D= 3.27 H-ene= -- Sym= (B-B) 1459 61 ARG ( 61 ) O <> 72 SER ( 72 ) C D= 3.58 H-ene= -- Sym= (B-B) 1460 61 ARG ( 61 ) O <> 72 SER ( 72 ) CB D= 3.20 H-ene= -- Sym= (B-S) 1461 61 ARG ( 61 ) C <> 73 ARG ( 73 ) N D= 3.89 H-ene= -- Sym= (B-B) 1462 61 ARG ( 61 ) O <> 73 ARG ( 73 ) N D= 2.91 H-ene= 0.70 Sym= (B-B) 1463 61 ARG ( 61 ) CB <> 133 HOH (HOH ) 216 D= 3.35 H-ene= -- Sym= (S-W) 1464 61 ARG ( 61 ) CG <> 133 HOH (HOH ) 216 D= 3.37 H-ene= -- Sym= (S-W) 1465 62 TRP ( 62 ) N <> 59 ASN ( 59 ) O D= 3.50 H-ene= 0.38 Sym= (B-B) 1466 62 TRP ( 62 ) N <> 60 SER ( 60 ) C D= 3.15 H-ene= -- Sym= (B-B) 1467 62 TRP ( 62 ) N <> 60 SER ( 60 ) O D= 3.33 H-ene= -- Sym= (B-B) 1468 62 TRP ( 62 ) C <> 64 CYS ( 64 ) N D= 3.83 H-ene= -- Sym= (B-B) 1469 62 TRP ( 62 ) CA <> 73 ARG ( 73 ) CB D= 4.07 H-ene= -- Sym= (B-S) 1470 62 TRP ( 62 ) C <> 73 ARG ( 73 ) C D= 3.75 H-ene= -- Sym= (B-B) 1471 62 TRP ( 62 ) C <> 73 ARG ( 73 ) O D= 3.35 H-ene= -- Sym= (B-B) 1472 62 TRP ( 62 ) O <> 73 ARG ( 73 ) C D= 3.21 H-ene= -- Sym= (B-B) 1473 62 TRP ( 62 ) O <> 73 ARG ( 73 ) O D= 3.20 H-ene= -- Sym= (B-B) 1474 62 TRP ( 62 ) O <> 73 ARG ( 73 ) CB D= 3.51 H-ene= -- Sym= (B-S) 1475 62 TRP ( 62 ) O <> 74 ASN ( 74 ) N D= 3.44 H-ene= -- Sym= (B-B) 1476 62 TRP ( 62 ) O <> 74 ASN ( 74 ) CA D= 3.67 H-ene= -- Sym= (B-B) 1477 62 TRP ( 62 ) C <> 75 LEU ( 75 ) N D= 3.92 H-ene= -- Sym= (B-B) 1478 62 TRP ( 62 ) O <> 75 LEU ( 75 ) N D= 2.81 H-ene= 0.78 Sym= (B-B) 1479 62 TRP ( 62 ) O <> 75 LEU ( 75 ) CA D= 3.67 H-ene= -- Sym= (B-B) 1480 62 TRP ( 62 ) O <> 75 LEU ( 75 ) CB D= 3.37 H-ene= -- Sym= (B-S) 1481 62 TRP ( 62 ) O <> 75 LEU ( 75 ) CG D= 3.30 H-ene= -- Sym= (B-S) 1482 62 TRP ( 62 ) CD1 <> 133 HOH (HOH ) 208 D= 3.65 H-ene= -- Sym= (S-W) 1483 63 TRP ( 63 ) CB <> 58 ILE ( 58 ) CG2 D= 3.43 H-ene= -- Sym= (S-S) 1484 63 TRP ( 63 ) CG <> 58 ILE ( 58 ) CG2 D= 3.99 H-ene= -- Sym= (S-S) 1485 63 TRP ( 63 ) CD1 <> 58 ILE ( 58 ) CG2 D= 4.08 H-ene= -- Sym= (S-S) 1486 63 TRP ( 63 ) N <> 59 ASN ( 59 ) O D= 2.98 H-ene= 0.64 Sym= (B-B) 1487 63 TRP ( 63 ) CB <> 59 ASN ( 59 ) O D= 3.53 H-ene= -- Sym= (S-B) 1488 63 TRP ( 63 ) CD1 <> 59 ASN ( 59 ) O D= 3.39 H-ene= -- Sym= (S-B) 1489 63 TRP ( 63 ) C <> 74 ASN ( 74 ) CA D= 3.99 H-ene= -- Sym= (B-B) 1490 63 TRP ( 63 ) O <> 74 ASN ( 74 ) OD1 D= 3.25 H-ene= -- Sym= (B-S) 1491 63 TRP ( 63 ) CA <> 75 LEU ( 75 ) N D= 3.90 H-ene= -- Sym= (B-B) 1492 63 TRP ( 63 ) C <> 75 LEU ( 75 ) N D= 3.94 H-ene= -- Sym= (B-B) 1493 63 TRP ( 63 ) CE3 <> 75 LEU ( 75 ) CB D= 3.55 H-ene= -- Sym= (S-S) 1494 63 TRP ( 63 ) CZ3 <> 75 LEU ( 75 ) CB D= 3.76 H-ene= -- Sym= (S-S) 1495 63 TRP ( 63 ) CZ3 <> 75 LEU ( 75 ) CD1 D= 3.78 H-ene= -- Sym= (S-S) 1496 63 TRP ( 63 ) C <> 76 CYS ( 76 ) N D= 3.86 H-ene= -- Sym= (B-B) 1497 63 TRP ( 63 ) O <> 76 CYS ( 76 ) N D= 2.94 H-ene= 0.58 Sym= (B-B) 1498 63 TRP ( 63 ) O <> 76 CYS ( 76 ) CA D= 3.46 H-ene= -- Sym= (B-B) 1499 63 TRP ( 63 ) O <> 76 CYS ( 76 ) CB D= 3.07 H-ene= -- Sym= (B-S) 1500 63 TRP ( 63 ) O <> 76 CYS ( 76 ) SG D= 3.83 H-ene= -- Sym= (B-S) 1501 63 TRP ( 63 ) CB <> 76 CYS ( 76 ) SG D= 4.09 H-ene= -- Sym= (S-S) 1502 63 TRP ( 63 ) CE3 <> 76 CYS ( 76 ) SG D= 3.88 H-ene= -- Sym= (S-S) 1503 63 TRP ( 63 ) CB <> 94 CYS ( 94 ) SG D= 3.77 H-ene= -- Sym= (S-S) 1504 63 TRP ( 63 ) CG <> 98 ILE ( 98 ) CG1 D= 3.97 H-ene= -- Sym= (S-S) 1505 63 TRP ( 63 ) CG <> 98 ILE ( 98 ) CD1 D= 3.88 H-ene= -- Sym= (S-S) 1506 63 TRP ( 63 ) CD1 <> 98 ILE ( 98 ) CD1 D= 3.91 H-ene= -- Sym= (S-S) 1507 63 TRP ( 63 ) CD2 <> 98 ILE ( 98 ) CG1 D= 3.46 H-ene= -- Sym= (S-S) 1508 63 TRP ( 63 ) CD2 <> 98 ILE ( 98 ) CD1 D= 3.92 H-ene= -- Sym= (S-S) 1509 63 TRP ( 63 ) NE1 <> 98 ILE ( 98 ) CG1 D= 3.89 H-ene= -- Sym= (S-S) 1510 63 TRP ( 63 ) NE1 <> 98 ILE ( 98 ) CD1 D= 3.97 H-ene= -- Sym= (S-S) 1511 63 TRP ( 63 ) CE2 <> 98 ILE ( 98 ) CG1 D= 3.44 H-ene= -- Sym= (S-S) 1512 63 TRP ( 63 ) CE2 <> 98 ILE ( 98 ) CD1 D= 3.98 H-ene= -- Sym= (S-S) 1513 63 TRP ( 63 ) CE3 <> 98 ILE ( 98 ) CG1 D= 3.73 H-ene= -- Sym= (S-S) 1514 63 TRP ( 63 ) CZ2 <> 98 ILE ( 98 ) CG1 D= 3.73 H-ene= -- Sym= (S-S) 1515 63 TRP ( 63 ) CZ3 <> 98 ILE ( 98 ) CG1 D= 3.96 H-ene= -- Sym= (S-S) 1516 63 TRP ( 63 ) CH2 <> 98 ILE ( 98 ) CA D= 3.90 H-ene= -- Sym= (S-B) 1517 63 TRP ( 63 ) CH2 <> 98 ILE ( 98 ) CG1 D= 3.96 H-ene= -- Sym= (S-S) 1518 63 TRP ( 63 ) CH2 <> 101 ASP ( 101 ) CG D= 3.82 H-ene= -- Sym= (S-S) 1519 63 TRP ( 63 ) CD1 <> 133 HOH (HOH ) 139 D= 3.58 H-ene= -- Sym= (S-W) 1520 63 TRP ( 63 ) NE1 <> 133 HOH (HOH ) 208 D= 3.14 H-ene= 0.75 Sym= (S-W) 1521 64 CYS ( 64 ) SG <> 53 TYR ( 53 ) CD1 D= 4.02 H-ene= -- Sym= (S-S) 1522 64 CYS ( 64 ) O <> 60 SER ( 60 ) CA D= 3.56 H-ene= -- Sym= (B-B) 1523 64 CYS ( 64 ) O <> 60 SER ( 60 ) O D= 3.12 H-ene= -- Sym= (B-B) 1524 64 CYS ( 64 ) SG <> 60 SER ( 60 ) CA D= 3.88 H-ene= -- Sym= (S-B) 1525 64 CYS ( 64 ) SG <> 60 SER ( 60 ) CB D= 4.18 H-ene= -- Sym= (S-S) 1526 64 CYS ( 64 ) N <> 62 TRP ( 62 ) C D= 3.83 H-ene= -- Sym= (B-B) 1527 64 CYS ( 64 ) CA <> 74 ASN ( 74 ) CG D= 3.98 H-ene= -- Sym= (B-S) 1528 64 CYS ( 64 ) CA <> 74 ASN ( 74 ) OD1 D= 3.25 H-ene= -- Sym= (B-S) 1529 64 CYS ( 64 ) C <> 74 ASN ( 74 ) CG D= 3.93 H-ene= -- Sym= (B-S) 1530 64 CYS ( 64 ) C <> 74 ASN ( 74 ) OD1 D= 3.66 H-ene= -- Sym= (B-S) 1531 64 CYS ( 64 ) CA <> 78 ILE ( 78 ) O D= 3.39 H-ene= -- Sym= (B-B) 1532 64 CYS ( 64 ) C <> 78 ILE ( 78 ) O D= 3.66 H-ene= -- Sym= (B-B) 1533 64 CYS ( 64 ) CB <> 78 ILE ( 78 ) O D= 3.38 H-ene= -- Sym= (S-B) 1534 64 CYS ( 64 ) CB <> 78 ILE ( 78 ) CG1 D= 4.06 H-ene= -- Sym= (S-S) 1535 64 CYS ( 64 ) CA <> 80 CYS ( 80 ) SG D= 3.72 H-ene= -- Sym= (B-S) 1536 64 CYS ( 64 ) C <> 80 CYS ( 80 ) SG D= 3.29 H-ene= -- Sym= (B-S) 1537 64 CYS ( 64 ) O <> 80 CYS ( 80 ) SG D= 3.47 H-ene= -- Sym= (B-S) 1538 64 CYS ( 64 ) CB <> 80 CYS ( 80 ) N D= 3.78 H-ene= -- Sym= (S-B) 1539 64 CYS ( 64 ) CB <> 80 CYS ( 80 ) CA D= 3.68 H-ene= -- Sym= (S-B) 1540 64 CYS ( 64 ) CB <> 80 CYS ( 80 ) CB D= 3.92 H-ene= -- Sym= (S-S) 1541 64 CYS ( 64 ) SG <> 80 CYS ( 80 ) N D= 4.06 H-ene= -- Sym= (S-B) 1542 64 CYS ( 64 ) SG <> 80 CYS ( 80 ) CA D= 3.45 H-ene= -- Sym= (S-B) 1543 64 CYS ( 64 ) CB <> 83 LEU ( 83 ) CD1 D= 4.01 H-ene= -- Sym= (S-S) 1544 64 CYS ( 64 ) SG <> 83 LEU ( 83 ) CD1 D= 3.71 H-ene= -- Sym= (S-S) 1545 64 CYS ( 64 ) C <> 131 NA ( 131 ) NA D= 3.48 H-ene= -- Sym= (B-B) 1546 64 CYS ( 64 ) O <> 131 NA ( 131 ) NA D= 2.42 H-ene= -- Sym= (B-B) 1547 64 CYS ( 64 ) O <> 133 HOH (HOH ) 135 D= 3.24 H-ene= 0.86 Sym= (B-W) 1548 65 ASN ( 65 ) C <> 67 GLY ( 67 ) N D= 3.53 H-ene= -- Sym= (B-B) 1549 65 ASN ( 65 ) CG <> 67 GLY ( 67 ) N D= 3.78 H-ene= -- Sym= (S-B) 1550 65 ASN ( 65 ) OD1 <> 67 GLY ( 67 ) N D= 3.26 H-ene= 0.38 Sym= (S-B) 1551 65 ASN ( 65 ) N <> 74 ASN ( 74 ) CG D= 3.62 H-ene= -- Sym= (B-S) 1552 65 ASN ( 65 ) N <> 74 ASN ( 74 ) OD1 D= 3.56 H-ene= -- Sym= (B-S) 1553 65 ASN ( 65 ) N <> 74 ASN ( 74 ) ND2 D= 3.89 H-ene= -- Sym= (B-S) 1554 65 ASN ( 65 ) CB <> 74 ASN ( 74 ) CG D= 3.87 H-ene= -- Sym= (S-S) 1555 65 ASN ( 65 ) CB <> 74 ASN ( 74 ) ND2 D= 3.46 H-ene= -- Sym= (S-S) 1556 65 ASN ( 65 ) N <> 78 ILE ( 78 ) O D= 2.93 H-ene= 0.79 Sym= (B-B) 1557 65 ASN ( 65 ) O <> 79 PRO ( 79 ) CA D= 3.24 H-ene= -- Sym= (B-B) 1558 65 ASN ( 65 ) O <> 79 PRO ( 79 ) C D= 3.55 H-ene= -- Sym= (B-B) 1559 65 ASN ( 65 ) N <> 80 CYS ( 80 ) SG D= 3.55 H-ene= -- Sym= (B-S) 1560 65 ASN ( 65 ) CA <> 80 CYS ( 80 ) SG D= 4.00 H-ene= -- Sym= (B-S) 1561 65 ASN ( 65 ) C <> 80 CYS ( 80 ) N D= 3.80 H-ene= -- Sym= (B-B) 1562 65 ASN ( 65 ) C <> 80 CYS ( 80 ) SG D= 3.49 H-ene= -- Sym= (B-S) 1563 65 ASN ( 65 ) O <> 80 CYS ( 80 ) N D= 2.92 H-ene= 0.68 Sym= (B-B) 1564 65 ASN ( 65 ) O <> 80 CYS ( 80 ) SG D= 3.63 H-ene= -- Sym= (B-S) 1565 65 ASN ( 65 ) CA <> 131 NA ( 131 ) NA D= 3.89 H-ene= -- Sym= (B-B) 1566 65 ASN ( 65 ) CA <> 133 HOH (HOH ) 135 D= 3.38 H-ene= -- Sym= (B-W) 1567 65 ASN ( 65 ) CA <> 133 HOH (HOH ) 144 D= 3.35 H-ene= -- Sym= (B-W) 1568 65 ASN ( 65 ) C <> 133 HOH (HOH ) 135 D= 3.62 H-ene= -- Sym= (B-W) 1569 65 ASN ( 65 ) CB <> 133 HOH (HOH ) 144 D= 3.48 H-ene= -- Sym= (S-W) 1570 65 ASN ( 65 ) CB <> 133 HOH (HOH ) 230 D= 3.68 H-ene= -- Sym= (S-W) 1571 65 ASN ( 65 ) CG <> 133 HOH (HOH ) 144 D= 3.55 H-ene= -- Sym= (S-W) 1572 65 ASN ( 65 ) CG <> 133 HOH (HOH ) 267 D= 3.42 H-ene= -- Sym= (S-W) 1573 65 ASN ( 65 ) OD1 <> 133 HOH (HOH ) 144 D= 2.95 H-ene= 0.65 Sym= (S-W) 1574 65 ASN ( 65 ) OD1 <> 133 HOH (HOH ) 267 D= 2.80 H-ene= 0.80 Sym= (S-W) 1575 65 ASN ( 65 ) ND2 <> 133 HOH (HOH ) 148 D= 3.06 H-ene= 0.47 Sym= (S-W) 1576 65 ASN ( 65 ) ND2 <> 133 HOH (HOH ) 230 D= 3.19 H-ene= 0.77 Sym= (S-W) 1577 65 ASN ( 65 ) ND2 <> 133 HOH (HOH ) 267 D= 3.30 H-ene= 0.46 Sym= (S-W) 1578 66 ASP ( 66 ) CB <> 53 TYR ( 53 ) CZ D= 3.93 H-ene= -- Sym= (S-S) 1579 66 ASP ( 66 ) CB <> 53 TYR ( 53 ) OH D= 3.18 H-ene= -- Sym= (S-S) 1580 66 ASP ( 66 ) CG <> 53 TYR ( 53 ) OH D= 3.42 H-ene= -- Sym= (S-S) 1581 66 ASP ( 66 ) OD2 <> 53 TYR ( 53 ) CE1 D= 3.69 H-ene= -- Sym= (S-S) 1582 66 ASP ( 66 ) OD2 <> 53 TYR ( 53 ) CZ D= 3.66 H-ene= -- Sym= (S-S) 1583 66 ASP ( 66 ) OD2 <> 53 TYR ( 53 ) OH D= 2.76 H-ene= 0.90 Sym= (S-S) 1584 66 ASP ( 66 ) CG <> 60 SER ( 60 ) CB D= 3.73 H-ene= -- Sym= (S-S) 1585 66 ASP ( 66 ) OD2 <> 60 SER ( 60 ) CB D= 3.35 H-ene= -- Sym= (S-S) 1586 66 ASP ( 66 ) OD2 <> 60 SER ( 60 ) OG D= 3.27 H-ene= 0.23 Sym= (S-S) 1587 66 ASP ( 66 ) C <> 68 ARG ( 68 ) N D= 3.14 H-ene= -- Sym= (B-B) 1588 66 ASP ( 66 ) O <> 68 ARG ( 68 ) N D= 3.16 H-ene= -- Sym= (B-B) 1589 66 ASP ( 66 ) CG <> 68 ARG ( 68 ) N D= 3.91 H-ene= -- Sym= (S-B) 1590 66 ASP ( 66 ) CG <> 68 ARG ( 68 ) CG D= 3.75 H-ene= -- Sym= (S-S) 1591 66 ASP ( 66 ) OD1 <> 68 ARG ( 68 ) N D= 3.00 H-ene= 0.72 Sym= (S-B) 1592 66 ASP ( 66 ) OD1 <> 68 ARG ( 68 ) C D= 3.68 H-ene= -- Sym= (S-B) 1593 66 ASP ( 66 ) OD1 <> 68 ARG ( 68 ) CG D= 3.61 H-ene= -- Sym= (S-S) 1594 66 ASP ( 66 ) CG <> 69 THR ( 69 ) OG1 D= 3.44 H-ene= -- Sym= (S-S) 1595 66 ASP ( 66 ) OD1 <> 69 THR ( 69 ) N D= 3.42 H-ene= -- Sym= (S-B) 1596 66 ASP ( 66 ) OD1 <> 69 THR ( 69 ) OG1 D= 2.83 H-ene= 0.80 Sym= (S-S) 1597 66 ASP ( 66 ) OD2 <> 69 THR ( 69 ) OG1 D= 3.28 H-ene= 0.38 Sym= (S-S) 1598 66 ASP ( 66 ) N <> 80 CYS ( 80 ) SG D= 3.62 H-ene= -- Sym= (B-S) 1599 66 ASP ( 66 ) CA <> 80 CYS ( 80 ) SG D= 4.03 H-ene= -- Sym= (B-S) 1600 66 ASP ( 66 ) CB <> 80 CYS ( 80 ) CB D= 4.00 H-ene= -- Sym= (S-S) 1601 66 ASP ( 66 ) CB <> 80 CYS ( 80 ) SG D= 3.65 H-ene= -- Sym= (S-S) 1602 66 ASP ( 66 ) CG <> 80 CYS ( 80 ) SG D= 4.28 H-ene= -- Sym= (S-S) 1603 66 ASP ( 66 ) N <> 133 HOH (HOH ) 135 D= 2.92 H-ene= 0.88 Sym= (B-W) 1604 66 ASP ( 66 ) OD1 <> 133 HOH (HOH ) 135 D= 2.93 H-ene= 0.68 Sym= (S-W) 1605 66 ASP ( 66 ) OD2 <> 133 HOH (HOH ) 132 D= 2.79 H-ene= 0.82 Sym= (S-W) 1606 67 GLY ( 67 ) N <> 65 ASN ( 65 ) C D= 3.53 H-ene= -- Sym= (B-B) 1607 67 GLY ( 67 ) N <> 65 ASN ( 65 ) CG D= 3.78 H-ene= -- Sym= (B-S) 1608 67 GLY ( 67 ) N <> 65 ASN ( 65 ) OD1 D= 3.26 H-ene= 0.38 Sym= (B-S) 1609 67 GLY ( 67 ) C <> 69 THR ( 69 ) N D= 3.88 H-ene= -- Sym= (B-B) 1610 67 GLY ( 67 ) CA <> 133 HOH (HOH ) 148 D= 3.42 H-ene= -- Sym= (B-W) 1611 67 GLY ( 67 ) CA <> 133 HOH (HOH ) 267 D= 3.56 H-ene= -- Sym= (B-W) 1612 67 GLY ( 67 ) O <> 133 HOH (HOH ) 191 D= 3.23 H-ene= 0.64 Sym= (B-W) 1613 67 GLY ( 67 ) O <> 133 HOH (HOH ) 212 D= 3.03 H-ene= 0.76 Sym= (B-W) 1614 68 ARG ( 68 ) CD <> 45 ARG ( 45 ) NH2 D= 3.86 H-ene= -- Sym= (S-S) 1615 68 ARG ( 68 ) NE <> 45 ARG ( 45 ) NE D= 3.81 H-ene= -- Sym= (S-S) 1616 68 ARG ( 68 ) NE <> 45 ARG ( 45 ) CZ D= 3.55 H-ene= -- Sym= (S-S) 1617 68 ARG ( 68 ) NE <> 45 ARG ( 45 ) NH1 D= 3.82 H-ene= -- Sym= (S-S) 1618 68 ARG ( 68 ) NE <> 45 ARG ( 45 ) NH2 D= 3.62 H-ene= -- Sym= (S-S) 1619 68 ARG ( 68 ) CZ <> 45 ARG ( 45 ) CD D= 3.97 H-ene= -- Sym= (S-S) 1620 68 ARG ( 68 ) CZ <> 45 ARG ( 45 ) NE D= 3.81 H-ene= -- Sym= (S-S) 1621 68 ARG ( 68 ) CZ <> 45 ARG ( 45 ) CZ D= 3.58 H-ene= -- Sym= (S-S) 1622 68 ARG ( 68 ) CZ <> 45 ARG ( 45 ) NH1 D= 3.45 H-ene= -- Sym= (S-S) 1623 68 ARG ( 68 ) NH1 <> 45 ARG ( 45 ) NH1 D= 3.66 H-ene= -- Sym= (S-S) 1624 68 ARG ( 68 ) NH2 <> 45 ARG ( 45 ) CD D= 3.20 H-ene= -- Sym= (S-S) 1625 68 ARG ( 68 ) NH2 <> 45 ARG ( 45 ) NE D= 3.50 H-ene= -- Sym= (S-S) 1626 68 ARG ( 68 ) NH2 <> 45 ARG ( 45 ) CZ D= 3.69 H-ene= -- Sym= (S-S) 1627 68 ARG ( 68 ) NH2 <> 45 ARG ( 45 ) NH1 D= 3.60 H-ene= -- Sym= (S-S) 1628 68 ARG ( 68 ) NH2 <> 51 THR ( 51 ) OG1 D= 2.96 H-ene= 1.00 Sym= (S-S) 1629 68 ARG ( 68 ) N <> 66 ASP ( 66 ) C D= 3.14 H-ene= -- Sym= (B-B) 1630 68 ARG ( 68 ) N <> 66 ASP ( 66 ) O D= 3.16 H-ene= -- Sym= (B-B) 1631 68 ARG ( 68 ) N <> 66 ASP ( 66 ) CG D= 3.91 H-ene= -- Sym= (B-S) 1632 68 ARG ( 68 ) N <> 66 ASP ( 66 ) OD1 D= 3.00 H-ene= 0.72 Sym= (B-S) 1633 68 ARG ( 68 ) C <> 66 ASP ( 66 ) OD1 D= 3.68 H-ene= -- Sym= (B-S) 1634 68 ARG ( 68 ) CG <> 66 ASP ( 66 ) CG D= 3.75 H-ene= -- Sym= (S-S) 1635 68 ARG ( 68 ) CG <> 66 ASP ( 66 ) OD1 D= 3.61 H-ene= -- Sym= (S-S) 1636 68 ARG ( 68 ) C <> 70 PRO ( 70 ) N D= 3.76 H-ene= -- Sym= (B-B) 1637 68 ARG ( 68 ) C <> 70 PRO ( 70 ) CD D= 3.45 H-ene= -- Sym= (B-S) 1638 68 ARG ( 68 ) O <> 70 PRO ( 70 ) CD D= 3.37 H-ene= -- Sym= (B-S) 1639 68 ARG ( 68 ) N <> 133 HOH (HOH ) 133 D= 3.56 H-ene= -- Sym= (B-W) 1640 68 ARG ( 68 ) O <> 133 HOH (HOH ) 207 D= 2.90 H-ene= 0.79 Sym= (B-W) 1641 68 ARG ( 68 ) CG <> 133 HOH (HOH ) 132 D= 3.42 H-ene= -- Sym= (S-W) 1642 68 ARG ( 68 ) CD <> 133 HOH (HOH ) 132 D= 3.66 H-ene= -- Sym= (S-W) 1643 68 ARG ( 68 ) CD <> 133 HOH (HOH ) 165 D= 3.37 H-ene= -- Sym= (S-W) 1644 68 ARG ( 68 ) NE <> 133 HOH (HOH ) 132 D= 2.91 H-ene= 0.78 Sym= (S-W) 1645 68 ARG ( 68 ) NH1 <> 133 HOH (HOH ) 165 D= 2.82 H-ene= 0.72 Sym= (S-W) 1646 68 ARG ( 68 ) NH2 <> 133 HOH (HOH ) 271 D= 3.46 H-ene= -- Sym= (S-W) 1647 69 THR ( 69 ) CG2 <> 50 SER ( 50 ) CA D= 3.77 H-ene= -- Sym= (S-B) 1648 69 THR ( 69 ) CG2 <> 50 SER ( 50 ) CB D= 3.77 H-ene= -- Sym= (S-S) 1649 69 THR ( 69 ) OG1 <> 60 SER ( 60 ) CB D= 3.60 H-ene= -- Sym= (S-S) 1650 69 THR ( 69 ) OG1 <> 60 SER ( 60 ) OG D= 2.85 H-ene= 0.98 Sym= (S-S) 1651 69 THR ( 69 ) CG2 <> 61 ARG ( 61 ) CA D= 3.98 H-ene= -- Sym= (S-B) 1652 69 THR ( 69 ) CG2 <> 61 ARG ( 61 ) CZ D= 3.66 H-ene= -- Sym= (S-S) 1653 69 THR ( 69 ) CG2 <> 61 ARG ( 61 ) NH1 D= 3.49 H-ene= -- Sym= (S-S) 1654 69 THR ( 69 ) CG2 <> 61 ARG ( 61 ) NH2 D= 3.97 H-ene= -- Sym= (S-S) 1655 69 THR ( 69 ) N <> 66 ASP ( 66 ) OD1 D= 3.42 H-ene= -- Sym= (B-S) 1656 69 THR ( 69 ) OG1 <> 66 ASP ( 66 ) CG D= 3.44 H-ene= -- Sym= (S-S) 1657 69 THR ( 69 ) OG1 <> 66 ASP ( 66 ) OD1 D= 2.83 H-ene= 0.80 Sym= (S-S) 1658 69 THR ( 69 ) OG1 <> 66 ASP ( 66 ) OD2 D= 3.28 H-ene= 0.38 Sym= (S-S) 1659 69 THR ( 69 ) N <> 67 GLY ( 67 ) C D= 3.88 H-ene= -- Sym= (B-B) 1660 69 THR ( 69 ) C <> 71 GLY ( 71 ) N D= 3.88 H-ene= -- Sym= (B-B) 1661 69 THR ( 69 ) O <> 71 GLY ( 71 ) N D= 3.39 H-ene= -- Sym= (B-B) 1662 69 THR ( 69 ) C <> 72 SER ( 72 ) CB D= 4.01 H-ene= -- Sym= (B-S) 1663 69 THR ( 69 ) O <> 72 SER ( 72 ) N D= 3.12 H-ene= 0.28 Sym= (B-B) 1664 69 THR ( 69 ) O <> 72 SER ( 72 ) CA D= 3.65 H-ene= -- Sym= (B-B) 1665 69 THR ( 69 ) O <> 72 SER ( 72 ) CB D= 3.00 H-ene= -- Sym= (B-S) 1666 69 THR ( 69 ) O <> 72 SER ( 72 ) OG D= 2.81 H-ene= 0.42 Sym= (B-S) 1667 69 THR ( 69 ) CB <> 72 SER ( 72 ) CB D= 3.73 H-ene= -- Sym= (S-S) 1668 69 THR ( 69 ) CB <> 72 SER ( 72 ) OG D= 3.63 H-ene= -- Sym= (S-S) 1669 69 THR ( 69 ) CG2 <> 72 SER ( 72 ) CB D= 3.58 H-ene= -- Sym= (S-S) 1670 69 THR ( 69 ) N <> 133 HOH (HOH ) 133 D= 3.22 H-ene= 0.71 Sym= (B-W) 1671 69 THR ( 69 ) C <> 133 HOH (HOH ) 133 D= 3.58 H-ene= -- Sym= (B-W) 1672 69 THR ( 69 ) O <> 133 HOH (HOH ) 133 D= 3.15 H-ene= 0.49 Sym= (B-W) 1673 69 THR ( 69 ) CB <> 133 HOH (HOH ) 135 D= 3.65 H-ene= -- Sym= (S-W) 1674 69 THR ( 69 ) OG1 <> 133 HOH (HOH ) 132 D= 3.19 H-ene= 0.90 Sym= (S-W) 1675 70 PRO ( 70 ) O <> 61 ARG ( 61 ) NH1 D= 3.15 H-ene= 0.29 Sym= (B-S) 1676 70 PRO ( 70 ) N <> 68 ARG ( 68 ) C D= 3.76 H-ene= -- Sym= (B-B) 1677 70 PRO ( 70 ) CD <> 68 ARG ( 68 ) C D= 3.45 H-ene= -- Sym= (S-B) 1678 70 PRO ( 70 ) CD <> 68 ARG ( 68 ) O D= 3.37 H-ene= -- Sym= (S-B) 1679 70 PRO ( 70 ) C <> 72 SER ( 72 ) N D= 3.25 H-ene= -- Sym= (B-B) 1680 70 PRO ( 70 ) O <> 72 SER ( 72 ) N D= 3.34 H-ene= -- Sym= (B-B) 1681 70 PRO ( 70 ) CD <> 133 HOH (HOH ) 207 D= 3.26 H-ene= -- Sym= (S-W) 1682 71 GLY ( 71 ) N <> 69 THR ( 69 ) C D= 3.88 H-ene= -- Sym= (B-B) 1683 71 GLY ( 71 ) N <> 69 THR ( 69 ) O D= 3.39 H-ene= -- Sym= (B-B) 1684 71 GLY ( 71 ) N <> 133 HOH (HOH ) 272 D= 2.95 H-ene= -- Sym= (B-W) 1685 71 GLY ( 71 ) CA <> 133 HOH (HOH ) 272 D= 3.69 H-ene= -- Sym= (B-W) 1686 72 SER ( 72 ) CB <> 60 SER ( 60 ) O D= 3.22 H-ene= -- Sym= (S-B) 1687 72 SER ( 72 ) OG <> 60 SER ( 60 ) O D= 3.25 H-ene= -- Sym= (S-B) 1688 72 SER ( 72 ) CA <> 61 ARG ( 61 ) O D= 3.27 H-ene= -- Sym= (B-B) 1689 72 SER ( 72 ) C <> 61 ARG ( 61 ) O D= 3.58 H-ene= -- Sym= (B-B) 1690 72 SER ( 72 ) CB <> 61 ARG ( 61 ) CA D= 3.71 H-ene= -- Sym= (S-B) 1691 72 SER ( 72 ) CB <> 61 ARG ( 61 ) C D= 3.71 H-ene= -- Sym= (S-B) 1692 72 SER ( 72 ) CB <> 61 ARG ( 61 ) O D= 3.20 H-ene= -- Sym= (S-B) 1693 72 SER ( 72 ) N <> 69 THR ( 69 ) O D= 3.12 H-ene= 0.28 Sym= (B-B) 1694 72 SER ( 72 ) CA <> 69 THR ( 69 ) O D= 3.65 H-ene= -- Sym= (B-B) 1695 72 SER ( 72 ) CB <> 69 THR ( 69 ) C D= 4.01 H-ene= -- Sym= (S-B) 1696 72 SER ( 72 ) CB <> 69 THR ( 69 ) O D= 3.00 H-ene= -- Sym= (S-B) 1697 72 SER ( 72 ) CB <> 69 THR ( 69 ) CB D= 3.73 H-ene= -- Sym= (S-S) 1698 72 SER ( 72 ) CB <> 69 THR ( 69 ) CG2 D= 3.58 H-ene= -- Sym= (S-S) 1699 72 SER ( 72 ) OG <> 69 THR ( 69 ) O D= 2.81 H-ene= 0.42 Sym= (S-B) 1700 72 SER ( 72 ) OG <> 69 THR ( 69 ) CB D= 3.63 H-ene= -- Sym= (S-S) 1701 72 SER ( 72 ) N <> 70 PRO ( 70 ) C D= 3.25 H-ene= -- Sym= (B-B) 1702 72 SER ( 72 ) N <> 70 PRO ( 70 ) O D= 3.34 H-ene= -- Sym= (B-B) 1703 72 SER ( 72 ) C <> 131 NA ( 131 ) NA D= 3.89 H-ene= -- Sym= (B-B) 1704 72 SER ( 72 ) CB <> 131 NA ( 131 ) NA D= 3.07 H-ene= -- Sym= (S-B) 1705 72 SER ( 72 ) OG <> 131 NA ( 131 ) NA D= 2.25 H-ene= -- Sym= (S-B) 1706 72 SER ( 72 ) N <> 133 HOH (HOH ) 187 D= 3.24 H-ene= 0.55 Sym= (B-W) 1707 72 SER ( 72 ) O <> 133 HOH (HOH ) 187 D= 3.10 H-ene= 0.70 Sym= (B-W) 1708 72 SER ( 72 ) OG <> 133 HOH (HOH ) 135 D= 2.95 H-ene= 0.97 Sym= (S-W) 1709 72 SER ( 72 ) OG <> 133 HOH (HOH ) 144 D= 2.87 H-ene= 0.98 Sym= (S-W) 1710 72 SER ( 72 ) OG <> 133 HOH (HOH ) 187 D= 3.12 H-ene= 0.90 Sym= (S-W) 1711 73 ARG ( 73 ) N <> 61 ARG ( 61 ) C D= 3.89 H-ene= -- Sym= (B-B) 1712 73 ARG ( 73 ) N <> 61 ARG ( 61 ) O D= 2.91 H-ene= 0.70 Sym= (B-B) 1713 73 ARG ( 73 ) C <> 62 TRP ( 62 ) C D= 3.75 H-ene= -- Sym= (B-B) 1714 73 ARG ( 73 ) C <> 62 TRP ( 62 ) O D= 3.21 H-ene= -- Sym= (B-B) 1715 73 ARG ( 73 ) O <> 62 TRP ( 62 ) C D= 3.35 H-ene= -- Sym= (B-B) 1716 73 ARG ( 73 ) O <> 62 TRP ( 62 ) O D= 3.20 H-ene= -- Sym= (B-B) 1717 73 ARG ( 73 ) CB <> 62 TRP ( 62 ) CA D= 4.07 H-ene= -- Sym= (S-B) 1718 73 ARG ( 73 ) CB <> 62 TRP ( 62 ) O D= 3.51 H-ene= -- Sym= (S-B) 1719 73 ARG ( 73 ) C <> 75 LEU ( 75 ) N D= 3.66 H-ene= -- Sym= (B-B) 1720 73 ARG ( 73 ) CB <> 75 LEU ( 75 ) CG D= 4.10 H-ene= -- Sym= (S-S) 1721 73 ARG ( 73 ) NE <> 75 LEU ( 75 ) CD2 D= 3.70 H-ene= -- Sym= (S-S) 1722 73 ARG ( 73 ) CZ <> 75 LEU ( 75 ) CD2 D= 3.61 H-ene= -- Sym= (S-S) 1723 73 ARG ( 73 ) NH2 <> 75 LEU ( 75 ) CD2 D= 3.35 H-ene= -- Sym= (S-S) 1724 73 ARG ( 73 ) N <> 131 NA ( 131 ) NA D= 3.92 H-ene= -- Sym= (B-B) 1725 73 ARG ( 73 ) C <> 131 NA ( 131 ) NA D= 3.62 H-ene= -- Sym= (B-B) 1726 73 ARG ( 73 ) O <> 131 NA ( 131 ) NA D= 2.56 H-ene= -- Sym= (B-B) 1727 73 ARG ( 73 ) CB <> 133 HOH (HOH ) 262 D= 3.69 H-ene= -- Sym= (S-W) 1728 73 ARG ( 73 ) CD <> 133 HOH (HOH ) 262 D= 3.65 H-ene= -- Sym= (S-W) 1729 74 ASN ( 74 ) N <> 62 TRP ( 62 ) O D= 3.44 H-ene= -- Sym= (B-B) 1730 74 ASN ( 74 ) CA <> 62 TRP ( 62 ) O D= 3.67 H-ene= -- Sym= (B-B) 1731 74 ASN ( 74 ) CA <> 63 TRP ( 63 ) C D= 3.99 H-ene= -- Sym= (B-B) 1732 74 ASN ( 74 ) OD1 <> 63 TRP ( 63 ) O D= 3.25 H-ene= -- Sym= (S-B) 1733 74 ASN ( 74 ) CG <> 64 CYS ( 64 ) CA D= 3.98 H-ene= -- Sym= (S-B) 1734 74 ASN ( 74 ) CG <> 64 CYS ( 64 ) C D= 3.93 H-ene= -- Sym= (S-B) 1735 74 ASN ( 74 ) OD1 <> 64 CYS ( 64 ) CA D= 3.25 H-ene= -- Sym= (S-B) 1736 74 ASN ( 74 ) OD1 <> 64 CYS ( 64 ) C D= 3.66 H-ene= -- Sym= (S-B) 1737 74 ASN ( 74 ) CG <> 65 ASN ( 65 ) N D= 3.62 H-ene= -- Sym= (S-B) 1738 74 ASN ( 74 ) CG <> 65 ASN ( 65 ) CB D= 3.87 H-ene= -- Sym= (S-S) 1739 74 ASN ( 74 ) OD1 <> 65 ASN ( 65 ) N D= 3.56 H-ene= -- Sym= (S-B) 1740 74 ASN ( 74 ) ND2 <> 65 ASN ( 65 ) N D= 3.89 H-ene= -- Sym= (S-B) 1741 74 ASN ( 74 ) ND2 <> 65 ASN ( 65 ) CB D= 3.46 H-ene= -- Sym= (S-S) 1742 74 ASN ( 74 ) C <> 76 CYS ( 76 ) N D= 3.17 H-ene= -- Sym= (B-B) 1743 74 ASN ( 74 ) O <> 76 CYS ( 76 ) N D= 3.15 H-ene= -- Sym= (B-B) 1744 74 ASN ( 74 ) C <> 77 ASN ( 77 ) N D= 3.66 H-ene= -- Sym= (B-B) 1745 74 ASN ( 74 ) O <> 77 ASN ( 77 ) N D= 2.87 H-ene= 0.50 Sym= (B-B) 1746 74 ASN ( 74 ) O <> 77 ASN ( 77 ) CA D= 3.47 H-ene= -- Sym= (B-B) 1747 74 ASN ( 74 ) CG <> 77 ASN ( 77 ) N D= 3.71 H-ene= -- Sym= (S-B) 1748 74 ASN ( 74 ) CG <> 77 ASN ( 77 ) CA D= 3.65 H-ene= -- Sym= (S-B) 1749 74 ASN ( 74 ) CG <> 77 ASN ( 77 ) C D= 4.10 H-ene= -- Sym= (S-B) 1750 74 ASN ( 74 ) OD1 <> 77 ASN ( 77 ) N D= 3.01 H-ene= 0.21 Sym= (S-B) 1751 74 ASN ( 74 ) OD1 <> 77 ASN ( 77 ) CA D= 3.28 H-ene= -- Sym= (S-B) 1752 74 ASN ( 74 ) OD1 <> 77 ASN ( 77 ) C D= 3.62 H-ene= -- Sym= (S-B) 1753 74 ASN ( 74 ) ND2 <> 77 ASN ( 77 ) CA D= 3.72 H-ene= -- Sym= (S-B) 1754 74 ASN ( 74 ) ND2 <> 77 ASN ( 77 ) C D= 3.90 H-ene= -- Sym= (S-B) 1755 74 ASN ( 74 ) CG <> 78 ILE ( 78 ) N D= 3.63 H-ene= -- Sym= (S-B) 1756 74 ASN ( 74 ) OD1 <> 78 ILE ( 78 ) N D= 2.99 H-ene= 0.75 Sym= (S-B) 1757 74 ASN ( 74 ) OD1 <> 78 ILE ( 78 ) O D= 3.23 H-ene= -- Sym= (S-B) 1758 74 ASN ( 74 ) ND2 <> 78 ILE ( 78 ) N D= 3.50 H-ene= -- Sym= (S-B) 1759 74 ASN ( 74 ) N <> 133 HOH (HOH ) 262 D= 3.19 H-ene= 0.82 Sym= (B-W) 1760 74 ASN ( 74 ) C <> 133 HOH (HOH ) 221 D= 3.67 H-ene= -- Sym= (B-W) 1761 74 ASN ( 74 ) O <> 133 HOH (HOH ) 221 D= 2.72 H-ene= 0.71 Sym= (B-W) 1762 74 ASN ( 74 ) CB <> 133 HOH (HOH ) 234 D= 3.53 H-ene= -- Sym= (S-W) 1763 74 ASN ( 74 ) CB <> 133 HOH (HOH ) 266 D= 3.54 H-ene= -- Sym= (S-W) 1764 74 ASN ( 74 ) ND2 <> 133 HOH (HOH ) 226 D= 3.05 H-ene= 0.59 Sym= (S-W) 1765 74 ASN ( 74 ) ND2 <> 133 HOH (HOH ) 234 D= 3.05 H-ene= 0.91 Sym= (S-W) 1766 75 LEU ( 75 ) N <> 62 TRP ( 62 ) C D= 3.92 H-ene= -- Sym= (B-B) 1767 75 LEU ( 75 ) N <> 62 TRP ( 62 ) O D= 2.81 H-ene= 0.78 Sym= (B-B) 1768 75 LEU ( 75 ) CA <> 62 TRP ( 62 ) O D= 3.67 H-ene= -- Sym= (B-B) 1769 75 LEU ( 75 ) CB <> 62 TRP ( 62 ) O D= 3.37 H-ene= -- Sym= (S-B) 1770 75 LEU ( 75 ) CG <> 62 TRP ( 62 ) O D= 3.30 H-ene= -- Sym= (S-B) 1771 75 LEU ( 75 ) N <> 63 TRP ( 63 ) CA D= 3.90 H-ene= -- Sym= (B-B) 1772 75 LEU ( 75 ) N <> 63 TRP ( 63 ) C D= 3.94 H-ene= -- Sym= (B-B) 1773 75 LEU ( 75 ) CB <> 63 TRP ( 63 ) CE3 D= 3.55 H-ene= -- Sym= (S-S) 1774 75 LEU ( 75 ) CB <> 63 TRP ( 63 ) CZ3 D= 3.76 H-ene= -- Sym= (S-S) 1775 75 LEU ( 75 ) CD1 <> 63 TRP ( 63 ) CZ3 D= 3.78 H-ene= -- Sym= (S-S) 1776 75 LEU ( 75 ) N <> 73 ARG ( 73 ) C D= 3.66 H-ene= -- Sym= (B-B) 1777 75 LEU ( 75 ) CG <> 73 ARG ( 73 ) CB D= 4.10 H-ene= -- Sym= (S-S) 1778 75 LEU ( 75 ) CD2 <> 73 ARG ( 73 ) NE D= 3.70 H-ene= -- Sym= (S-S) 1779 75 LEU ( 75 ) CD2 <> 73 ARG ( 73 ) CZ D= 3.61 H-ene= -- Sym= (S-S) 1780 75 LEU ( 75 ) CD2 <> 73 ARG ( 73 ) NH2 D= 3.35 H-ene= -- Sym= (S-S) 1781 75 LEU ( 75 ) C <> 77 ASN ( 77 ) N D= 3.26 H-ene= -- Sym= (B-B) 1782 75 LEU ( 75 ) O <> 77 ASN ( 77 ) N D= 3.60 H-ene= -- Sym= (B-B) 1783 75 LEU ( 75 ) CD1 <> 133 HOH (HOH ) 261 D= 3.12 H-ene= -- Sym= (S-W) 1784 76 CYS ( 76 ) N <> 63 TRP ( 63 ) C D= 3.86 H-ene= -- Sym= (B-B) 1785 76 CYS ( 76 ) N <> 63 TRP ( 63 ) O D= 2.94 H-ene= 0.58 Sym= (B-B) 1786 76 CYS ( 76 ) CA <> 63 TRP ( 63 ) O D= 3.46 H-ene= -- Sym= (B-B) 1787 76 CYS ( 76 ) CB <> 63 TRP ( 63 ) O D= 3.07 H-ene= -- Sym= (S-B) 1788 76 CYS ( 76 ) SG <> 63 TRP ( 63 ) O D= 3.83 H-ene= -- Sym= (S-B) 1789 76 CYS ( 76 ) SG <> 63 TRP ( 63 ) CB D= 4.09 H-ene= -- Sym= (S-S) 1790 76 CYS ( 76 ) SG <> 63 TRP ( 63 ) CE3 D= 3.88 H-ene= -- Sym= (S-S) 1791 76 CYS ( 76 ) N <> 74 ASN ( 74 ) C D= 3.17 H-ene= -- Sym= (B-B) 1792 76 CYS ( 76 ) N <> 74 ASN ( 74 ) O D= 3.15 H-ene= -- Sym= (B-B) 1793 76 CYS ( 76 ) C <> 78 ILE ( 78 ) N D= 3.39 H-ene= -- Sym= (B-B) 1794 76 CYS ( 76 ) C <> 78 ILE ( 78 ) CG1 D= 4.08 H-ene= -- Sym= (B-S) 1795 76 CYS ( 76 ) O <> 78 ILE ( 78 ) N D= 3.44 H-ene= -- Sym= (B-B) 1796 76 CYS ( 76 ) CB <> 78 ILE ( 78 ) CG1 D= 3.85 H-ene= -- Sym= (S-S) 1797 76 CYS ( 76 ) CB <> 94 CYS ( 94 ) CB D= 3.75 H-ene= -- Sym= (S-S) 1798 76 CYS ( 76 ) SG <> 94 CYS ( 94 ) CA D= 3.31 H-ene= -- Sym= (S-B) 1799 76 CYS ( 76 ) SG <> 94 CYS ( 94 ) C D= 3.96 H-ene= -- Sym= (S-B) 1800 76 CYS ( 76 ) SG <> 94 CYS ( 94 ) O D= 3.77 H-ene= -- Sym= (S-B) 1801 76 CYS ( 76 ) SG <> 97 LYS ( 97 ) CD D= 4.23 H-ene= -- Sym= (S-S) 1802 76 CYS ( 76 ) C <> 133 HOH (HOH ) 257 D= 3.68 H-ene= -- Sym= (B-W) 1803 76 CYS ( 76 ) O <> 133 HOH (HOH ) 151 D= 3.21 H-ene= 0.84 Sym= (B-W) 1804 76 CYS ( 76 ) O <> 133 HOH (HOH ) 237 D= 3.01 H-ene= 0.76 Sym= (B-W) 1805 76 CYS ( 76 ) O <> 133 HOH (HOH ) 257 D= 3.04 H-ene= 0.62 Sym= (B-W) 1806 76 CYS ( 76 ) CB <> 133 HOH (HOH ) 151 D= 3.54 H-ene= -- Sym= (S-W) 1807 77 ASN ( 77 ) N <> 74 ASN ( 74 ) C D= 3.66 H-ene= -- Sym= (B-B) 1808 77 ASN ( 77 ) N <> 74 ASN ( 74 ) O D= 2.87 H-ene= 0.50 Sym= (B-B) 1809 77 ASN ( 77 ) N <> 74 ASN ( 74 ) CG D= 3.71 H-ene= -- Sym= (B-S) 1810 77 ASN ( 77 ) N <> 74 ASN ( 74 ) OD1 D= 3.01 H-ene= 0.21 Sym= (B-S) 1811 77 ASN ( 77 ) CA <> 74 ASN ( 74 ) O D= 3.47 H-ene= -- Sym= (B-B) 1812 77 ASN ( 77 ) CA <> 74 ASN ( 74 ) CG D= 3.65 H-ene= -- Sym= (B-S) 1813 77 ASN ( 77 ) CA <> 74 ASN ( 74 ) OD1 D= 3.28 H-ene= -- Sym= (B-S) 1814 77 ASN ( 77 ) CA <> 74 ASN ( 74 ) ND2 D= 3.72 H-ene= -- Sym= (B-S) 1815 77 ASN ( 77 ) C <> 74 ASN ( 74 ) CG D= 4.10 H-ene= -- Sym= (B-S) 1816 77 ASN ( 77 ) C <> 74 ASN ( 74 ) OD1 D= 3.62 H-ene= -- Sym= (B-S) 1817 77 ASN ( 77 ) C <> 74 ASN ( 74 ) ND2 D= 3.90 H-ene= -- Sym= (B-S) 1818 77 ASN ( 77 ) N <> 75 LEU ( 75 ) C D= 3.26 H-ene= -- Sym= (B-B) 1819 77 ASN ( 77 ) N <> 75 LEU ( 75 ) O D= 3.60 H-ene= -- Sym= (B-B) 1820 77 ASN ( 77 ) C <> 133 HOH (HOH ) 226 D= 3.54 H-ene= -- Sym= (B-W) 1821 77 ASN ( 77 ) O <> 133 HOH (HOH ) 237 D= 3.15 H-ene= 0.63 Sym= (B-W) 1822 77 ASN ( 77 ) CG <> 133 HOH (HOH ) 221 D= 3.11 H-ene= -- Sym= (S-W) 1823 77 ASN ( 77 ) OD1 <> 133 HOH (HOH ) 221 D= 3.10 H-ene= -- Sym= (S-W) 1824 77 ASN ( 77 ) ND2 <> 133 HOH (HOH ) 221 D= 2.81 H-ene= 0.42 Sym= (S-W) 1825 78 ILE ( 78 ) O <> 64 CYS ( 64 ) CA D= 3.39 H-ene= -- Sym= (B-B) 1826 78 ILE ( 78 ) O <> 64 CYS ( 64 ) C D= 3.66 H-ene= -- Sym= (B-B) 1827 78 ILE ( 78 ) O <> 64 CYS ( 64 ) CB D= 3.38 H-ene= -- Sym= (B-S) 1828 78 ILE ( 78 ) CG1 <> 64 CYS ( 64 ) CB D= 4.06 H-ene= -- Sym= (S-S) 1829 78 ILE ( 78 ) O <> 65 ASN ( 65 ) N D= 2.93 H-ene= 0.79 Sym= (B-B) 1830 78 ILE ( 78 ) N <> 74 ASN ( 74 ) CG D= 3.63 H-ene= -- Sym= (B-S) 1831 78 ILE ( 78 ) N <> 74 ASN ( 74 ) OD1 D= 2.99 H-ene= 0.75 Sym= (B-S) 1832 78 ILE ( 78 ) N <> 74 ASN ( 74 ) ND2 D= 3.50 H-ene= -- Sym= (B-S) 1833 78 ILE ( 78 ) O <> 74 ASN ( 74 ) OD1 D= 3.23 H-ene= -- Sym= (B-S) 1834 78 ILE ( 78 ) N <> 76 CYS ( 76 ) C D= 3.39 H-ene= -- Sym= (B-B) 1835 78 ILE ( 78 ) N <> 76 CYS ( 76 ) O D= 3.44 H-ene= -- Sym= (B-B) 1836 78 ILE ( 78 ) CG1 <> 76 CYS ( 76 ) C D= 4.08 H-ene= -- Sym= (S-B) 1837 78 ILE ( 78 ) CG1 <> 76 CYS ( 76 ) CB D= 3.85 H-ene= -- Sym= (S-S) 1838 78 ILE ( 78 ) C <> 80 CYS ( 80 ) N D= 3.85 H-ene= -- Sym= (B-B) 1839 78 ILE ( 78 ) O <> 80 CYS ( 80 ) N D= 3.54 H-ene= -- Sym= (B-B) 1840 78 ILE ( 78 ) CD1 <> 83 LEU ( 83 ) CG D= 3.68 H-ene= -- Sym= (S-S) 1841 78 ILE ( 78 ) CD1 <> 83 LEU ( 83 ) CD2 D= 3.43 H-ene= -- Sym= (S-S) 1842 78 ILE ( 78 ) N <> 133 HOH (HOH ) 226 D= 3.39 H-ene= -- Sym= (B-W) 1843 78 ILE ( 78 ) CA <> 133 HOH (HOH ) 226 D= 3.50 H-ene= -- Sym= (B-W) 1844 78 ILE ( 78 ) C <> 133 HOH (HOH ) 226 D= 3.58 H-ene= -- Sym= (B-W) 1845 78 ILE ( 78 ) CD1 <> 133 HOH (HOH ) 163 D= 3.65 H-ene= -- Sym= (S-W) 1846 79 PRO ( 79 ) CA <> 65 ASN ( 65 ) O D= 3.24 H-ene= -- Sym= (B-B) 1847 79 PRO ( 79 ) C <> 65 ASN ( 65 ) O D= 3.55 H-ene= -- Sym= (B-B) 1848 79 PRO ( 79 ) C <> 81 SER ( 81 ) N D= 3.05 H-ene= -- Sym= (B-B) 1849 79 PRO ( 79 ) O <> 81 SER ( 81 ) N D= 3.11 H-ene= -- Sym= (B-B) 1850 79 PRO ( 79 ) C <> 82 ALA ( 82 ) N D= 3.82 H-ene= -- Sym= (B-B) 1851 79 PRO ( 79 ) O <> 82 ALA ( 82 ) N D= 2.99 H-ene= 0.50 Sym= (B-B) 1852 79 PRO ( 79 ) O <> 82 ALA ( 82 ) CA D= 3.68 H-ene= -- Sym= (B-B) 1853 79 PRO ( 79 ) O <> 82 ALA ( 82 ) CB D= 3.29 H-ene= -- Sym= (B-S) 1854 79 PRO ( 79 ) CA <> 133 HOH (HOH ) 230 D= 3.64 H-ene= -- Sym= (B-W) 1855 79 PRO ( 79 ) CB <> 133 HOH (HOH ) 230 D= 3.56 H-ene= -- Sym= (S-W) 1856 80 CYS ( 80 ) CB <> 53 TYR ( 53 ) CG D= 3.66 H-ene= -- Sym= (S-S) 1857 80 CYS ( 80 ) CB <> 53 TYR ( 53 ) CD1 D= 3.45 H-ene= -- Sym= (S-S) 1858 80 CYS ( 80 ) CB <> 53 TYR ( 53 ) CD2 D= 3.81 H-ene= -- Sym= (S-S) 1859 80 CYS ( 80 ) CB <> 53 TYR ( 53 ) CE1 D= 3.42 H-ene= -- Sym= (S-S) 1860 80 CYS ( 80 ) CB <> 53 TYR ( 53 ) CE2 D= 3.78 H-ene= -- Sym= (S-S) 1861 80 CYS ( 80 ) CB <> 53 TYR ( 53 ) CZ D= 3.58 H-ene= -- Sym= (S-S) 1862 80 CYS ( 80 ) SG <> 53 TYR ( 53 ) CD1 D= 3.81 H-ene= -- Sym= (S-S) 1863 80 CYS ( 80 ) SG <> 53 TYR ( 53 ) CE1 D= 3.59 H-ene= -- Sym= (S-S) 1864 80 CYS ( 80 ) SG <> 53 TYR ( 53 ) CZ D= 4.18 H-ene= -- Sym= (S-S) 1865 80 CYS ( 80 ) SG <> 60 SER ( 60 ) CA D= 4.17 H-ene= -- Sym= (S-B) 1866 80 CYS ( 80 ) SG <> 60 SER ( 60 ) CB D= 3.73 H-ene= -- Sym= (S-S) 1867 80 CYS ( 80 ) N <> 64 CYS ( 64 ) CB D= 3.78 H-ene= -- Sym= (B-S) 1868 80 CYS ( 80 ) N <> 64 CYS ( 64 ) SG D= 4.06 H-ene= -- Sym= (B-S) 1869 80 CYS ( 80 ) CA <> 64 CYS ( 64 ) CB D= 3.68 H-ene= -- Sym= (B-S) 1870 80 CYS ( 80 ) CA <> 64 CYS ( 64 ) SG D= 3.45 H-ene= -- Sym= (B-S) 1871 80 CYS ( 80 ) CB <> 64 CYS ( 64 ) CB D= 3.92 H-ene= -- Sym= (S-S) 1872 80 CYS ( 80 ) SG <> 64 CYS ( 64 ) CA D= 3.72 H-ene= -- Sym= (S-B) 1873 80 CYS ( 80 ) SG <> 64 CYS ( 64 ) C D= 3.29 H-ene= -- Sym= (S-B) 1874 80 CYS ( 80 ) SG <> 64 CYS ( 64 ) O D= 3.47 H-ene= -- Sym= (S-B) 1875 80 CYS ( 80 ) N <> 65 ASN ( 65 ) C D= 3.80 H-ene= -- Sym= (B-B) 1876 80 CYS ( 80 ) N <> 65 ASN ( 65 ) O D= 2.92 H-ene= 0.68 Sym= (B-B) 1877 80 CYS ( 80 ) SG <> 65 ASN ( 65 ) N D= 3.55 H-ene= -- Sym= (S-B) 1878 80 CYS ( 80 ) SG <> 65 ASN ( 65 ) CA D= 4.00 H-ene= -- Sym= (S-B) 1879 80 CYS ( 80 ) SG <> 65 ASN ( 65 ) C D= 3.49 H-ene= -- Sym= (S-B) 1880 80 CYS ( 80 ) SG <> 65 ASN ( 65 ) O D= 3.63 H-ene= -- Sym= (S-B) 1881 80 CYS ( 80 ) CB <> 66 ASP ( 66 ) CB D= 4.00 H-ene= -- Sym= (S-S) 1882 80 CYS ( 80 ) SG <> 66 ASP ( 66 ) N D= 3.62 H-ene= -- Sym= (S-B) 1883 80 CYS ( 80 ) SG <> 66 ASP ( 66 ) CA D= 4.03 H-ene= -- Sym= (S-B) 1884 80 CYS ( 80 ) SG <> 66 ASP ( 66 ) CB D= 3.65 H-ene= -- Sym= (S-S) 1885 80 CYS ( 80 ) SG <> 66 ASP ( 66 ) CG D= 4.28 H-ene= -- Sym= (S-S) 1886 80 CYS ( 80 ) N <> 78 ILE ( 78 ) C D= 3.85 H-ene= -- Sym= (B-B) 1887 80 CYS ( 80 ) N <> 78 ILE ( 78 ) O D= 3.54 H-ene= -- Sym= (B-B) 1888 80 CYS ( 80 ) C <> 82 ALA ( 82 ) N D= 3.08 H-ene= -- Sym= (B-B) 1889 80 CYS ( 80 ) O <> 82 ALA ( 82 ) N D= 3.10 H-ene= -- Sym= (B-B) 1890 80 CYS ( 80 ) C <> 83 LEU ( 83 ) N D= 3.73 H-ene= -- Sym= (B-B) 1891 80 CYS ( 80 ) O <> 83 LEU ( 83 ) N D= 2.86 H-ene= 0.53 Sym= (B-B) 1892 80 CYS ( 80 ) O <> 83 LEU ( 83 ) CA D= 3.47 H-ene= -- Sym= (B-B) 1893 80 CYS ( 80 ) O <> 83 LEU ( 83 ) CB D= 3.15 H-ene= -- Sym= (B-S) 1894 80 CYS ( 80 ) O <> 83 LEU ( 83 ) CG D= 3.57 H-ene= -- Sym= (B-S) 1895 81 SER ( 81 ) N <> 79 PRO ( 79 ) C D= 3.05 H-ene= -- Sym= (B-B) 1896 81 SER ( 81 ) N <> 79 PRO ( 79 ) O D= 3.11 H-ene= -- Sym= (B-B) 1897 81 SER ( 81 ) C <> 83 LEU ( 83 ) N D= 3.04 H-ene= -- Sym= (B-B) 1898 81 SER ( 81 ) O <> 83 LEU ( 83 ) N D= 3.10 H-ene= -- Sym= (B-B) 1899 81 SER ( 81 ) C <> 84 LEU ( 84 ) N D= 3.82 H-ene= -- Sym= (B-B) 1900 81 SER ( 81 ) O <> 84 LEU ( 84 ) N D= 3.01 H-ene= 0.66 Sym= (B-B) 1901 81 SER ( 81 ) O <> 84 LEU ( 84 ) CB D= 3.55 H-ene= -- Sym= (B-S) 1902 81 SER ( 81 ) O <> 133 HOH (HOH ) 219 D= 3.22 H-ene= 0.55 Sym= (B-W) 1903 81 SER ( 81 ) CB <> 133 HOH (HOH ) 186 D= 3.47 H-ene= -- Sym= (S-W) 1904 81 SER ( 81 ) CB <> 133 HOH (HOH ) 238 D= 3.49 H-ene= -- Sym= (S-W) 1905 81 SER ( 81 ) OG <> 133 HOH (HOH ) 186 D= 2.64 H-ene= 0.92 Sym= (S-W) 1906 81 SER ( 81 ) OG <> 133 HOH (HOH ) 238 D= 2.71 H-ene= 0.96 Sym= (S-W) 1907 82 ALA ( 82 ) N <> 79 PRO ( 79 ) C D= 3.82 H-ene= -- Sym= (B-B) 1908 82 ALA ( 82 ) N <> 79 PRO ( 79 ) O D= 2.99 H-ene= 0.50 Sym= (B-B) 1909 82 ALA ( 82 ) CA <> 79 PRO ( 79 ) O D= 3.68 H-ene= -- Sym= (B-B) 1910 82 ALA ( 82 ) CB <> 79 PRO ( 79 ) O D= 3.29 H-ene= -- Sym= (S-B) 1911 82 ALA ( 82 ) N <> 80 CYS ( 80 ) C D= 3.08 H-ene= -- Sym= (B-B) 1912 82 ALA ( 82 ) N <> 80 CYS ( 80 ) O D= 3.10 H-ene= -- Sym= (B-B) 1913 82 ALA ( 82 ) C <> 84 LEU ( 84 ) N D= 3.17 H-ene= -- Sym= (B-B) 1914 82 ALA ( 82 ) O <> 84 LEU ( 84 ) N D= 3.29 H-ene= -- Sym= (B-B) 1915 82 ALA ( 82 ) O <> 85 SER ( 85 ) N D= 3.52 H-ene= 0.46 Sym= (B-B) 1916 82 ALA ( 82 ) O <> 85 SER ( 85 ) CB D= 3.56 H-ene= -- Sym= (B-S) 1917 82 ALA ( 82 ) CA <> 133 HOH (HOH ) 239 D= 3.66 H-ene= -- Sym= (B-W) 1918 82 ALA ( 82 ) C <> 133 HOH (HOH ) 176 D= 3.65 H-ene= -- Sym= (B-W) 1919 82 ALA ( 82 ) O <> 133 HOH (HOH ) 137 D= 3.18 H-ene= 0.77 Sym= (B-W) 1920 82 ALA ( 82 ) O <> 133 HOH (HOH ) 176 D= 2.81 H-ene= 1.00 Sym= (B-W) 1921 82 ALA ( 82 ) CB <> 133 HOH (HOH ) 264 D= 3.52 H-ene= -- Sym= (S-W) 1922 83 LEU ( 83 ) CB <> 53 TYR ( 53 ) CB D= 3.99 H-ene= -- Sym= (S-S) 1923 83 LEU ( 83 ) CD1 <> 53 TYR ( 53 ) CB D= 4.07 H-ene= -- Sym= (S-S) 1924 83 LEU ( 83 ) O <> 54 GLY ( 54 ) CA D= 3.27 H-ene= -- Sym= (B-B) 1925 83 LEU ( 83 ) CD1 <> 58 ILE ( 58 ) CB D= 3.79 H-ene= -- Sym= (S-S) 1926 83 LEU ( 83 ) CD1 <> 58 ILE ( 58 ) CG2 D= 3.80 H-ene= -- Sym= (S-S) 1927 83 LEU ( 83 ) CD1 <> 64 CYS ( 64 ) CB D= 4.01 H-ene= -- Sym= (S-S) 1928 83 LEU ( 83 ) CD1 <> 64 CYS ( 64 ) SG D= 3.71 H-ene= -- Sym= (S-S) 1929 83 LEU ( 83 ) CG <> 78 ILE ( 78 ) CD1 D= 3.68 H-ene= -- Sym= (S-S) 1930 83 LEU ( 83 ) CD2 <> 78 ILE ( 78 ) CD1 D= 3.43 H-ene= -- Sym= (S-S) 1931 83 LEU ( 83 ) N <> 80 CYS ( 80 ) C D= 3.73 H-ene= -- Sym= (B-B) 1932 83 LEU ( 83 ) N <> 80 CYS ( 80 ) O D= 2.86 H-ene= 0.53 Sym= (B-B) 1933 83 LEU ( 83 ) CA <> 80 CYS ( 80 ) O D= 3.47 H-ene= -- Sym= (B-B) 1934 83 LEU ( 83 ) CB <> 80 CYS ( 80 ) O D= 3.15 H-ene= -- Sym= (S-B) 1935 83 LEU ( 83 ) CG <> 80 CYS ( 80 ) O D= 3.57 H-ene= -- Sym= (S-B) 1936 83 LEU ( 83 ) N <> 81 SER ( 81 ) C D= 3.04 H-ene= -- Sym= (B-B) 1937 83 LEU ( 83 ) N <> 81 SER ( 81 ) O D= 3.10 H-ene= -- Sym= (B-B) 1938 83 LEU ( 83 ) C <> 85 SER ( 85 ) N D= 3.46 H-ene= -- Sym= (B-B) 1939 83 LEU ( 83 ) CD2 <> 90 ALA ( 90 ) C D= 3.90 H-ene= -- Sym= (S-B) 1940 83 LEU ( 83 ) CD2 <> 91 SER ( 91 ) N D= 3.75 H-ene= -- Sym= (S-B) 1941 83 LEU ( 83 ) CD2 <> 91 SER ( 91 ) CA D= 3.65 H-ene= -- Sym= (S-B) 1942 83 LEU ( 83 ) CD2 <> 91 SER ( 91 ) OG D= 3.60 H-ene= -- Sym= (S-S) 1943 83 LEU ( 83 ) O <> 133 HOH (HOH ) 155 D= 2.68 H-ene= 0.59 Sym= (B-W) 1944 84 LEU ( 84 ) CA <> 40 THR ( 40 ) C D= 4.04 H-ene= -- Sym= (B-B) 1945 84 LEU ( 84 ) CA <> 40 THR ( 40 ) O D= 3.08 H-ene= -- Sym= (B-B) 1946 84 LEU ( 84 ) C <> 40 THR ( 40 ) O D= 3.58 H-ene= -- Sym= (B-B) 1947 84 LEU ( 84 ) C <> 40 THR ( 40 ) CB D= 4.09 H-ene= -- Sym= (B-S) 1948 84 LEU ( 84 ) O <> 40 THR ( 40 ) C D= 3.67 H-ene= -- Sym= (B-B) 1949 84 LEU ( 84 ) O <> 40 THR ( 40 ) CB D= 3.50 H-ene= -- Sym= (B-S) 1950 84 LEU ( 84 ) O <> 40 THR ( 40 ) OG1 D= 3.14 H-ene= 0.21 Sym= (B-S) 1951 84 LEU ( 84 ) CB <> 40 THR ( 40 ) O D= 3.63 H-ene= -- Sym= (S-B) 1952 84 LEU ( 84 ) CD2 <> 40 THR ( 40 ) O D= 3.32 H-ene= -- Sym= (S-B) 1953 84 LEU ( 84 ) CD2 <> 41 GLN ( 41 ) CA D= 4.03 H-ene= -- Sym= (S-B) 1954 84 LEU ( 84 ) CD2 <> 41 GLN ( 41 ) C D= 3.97 H-ene= -- Sym= (S-B) 1955 84 LEU ( 84 ) CD2 <> 42 ALA ( 42 ) O D= 3.60 H-ene= -- Sym= (S-B) 1956 84 LEU ( 84 ) CD2 <> 43 THR ( 43 ) CG2 D= 3.96 H-ene= -- Sym= (S-S) 1957 84 LEU ( 84 ) CD2 <> 53 TYR ( 53 ) CB D= 4.08 H-ene= -- Sym= (S-S) 1958 84 LEU ( 84 ) CD2 <> 54 GLY ( 54 ) N D= 3.28 H-ene= -- Sym= (S-B) 1959 84 LEU ( 84 ) CD2 <> 54 GLY ( 54 ) CA D= 3.78 H-ene= -- Sym= (S-B) 1960 84 LEU ( 84 ) N <> 81 SER ( 81 ) C D= 3.82 H-ene= -- Sym= (B-B) 1961 84 LEU ( 84 ) N <> 81 SER ( 81 ) O D= 3.01 H-ene= 0.66 Sym= (B-B) 1962 84 LEU ( 84 ) CB <> 81 SER ( 81 ) O D= 3.55 H-ene= -- Sym= (S-B) 1963 84 LEU ( 84 ) N <> 82 ALA ( 82 ) C D= 3.17 H-ene= -- Sym= (B-B) 1964 84 LEU ( 84 ) N <> 82 ALA ( 82 ) O D= 3.29 H-ene= -- Sym= (B-B) 1965 85 SER ( 85 ) O <> 40 THR ( 40 ) CB D= 3.33 H-ene= -- Sym= (B-S) 1966 85 SER ( 85 ) O <> 40 THR ( 40 ) CG2 D= 3.52 H-ene= -- Sym= (B-S) 1967 85 SER ( 85 ) N <> 82 ALA ( 82 ) O D= 3.52 H-ene= 0.46 Sym= (B-B) 1968 85 SER ( 85 ) CB <> 82 ALA ( 82 ) O D= 3.56 H-ene= -- Sym= (S-B) 1969 85 SER ( 85 ) N <> 83 LEU ( 83 ) C D= 3.46 H-ene= -- Sym= (B-B) 1970 85 SER ( 85 ) C <> 87 ASP ( 87 ) N D= 3.01 H-ene= -- Sym= (B-B) 1971 85 SER ( 85 ) O <> 87 ASP ( 87 ) N D= 3.21 H-ene= -- Sym= (B-B) 1972 85 SER ( 85 ) CB <> 87 ASP ( 87 ) N D= 3.81 H-ene= -- Sym= (S-B) 1973 85 SER ( 85 ) CB <> 87 ASP ( 87 ) O D= 3.55 H-ene= -- Sym= (S-B) 1974 85 SER ( 85 ) OG <> 87 ASP ( 87 ) N D= 2.97 H-ene= 0.83 Sym= (S-B) 1975 85 SER ( 85 ) OG <> 87 ASP ( 87 ) CA D= 3.70 H-ene= -- Sym= (S-B) 1976 85 SER ( 85 ) OG <> 87 ASP ( 87 ) CB D= 3.48 H-ene= -- Sym= (S-S) 1977 85 SER ( 85 ) CA <> 133 HOH (HOH ) 243 D= 3.47 H-ene= -- Sym= (B-W) 1978 85 SER ( 85 ) O <> 133 HOH (HOH ) 138 D= 2.67 H-ene= 0.72 Sym= (B-W) 1979 85 SER ( 85 ) CB <> 133 HOH (HOH ) 176 D= 3.04 H-ene= -- Sym= (S-W) 1980 85 SER ( 85 ) CB <> 133 HOH (HOH ) 240 D= 3.60 H-ene= -- Sym= (S-W) 1981 85 SER ( 85 ) OG <> 133 HOH (HOH ) 240 D= 2.89 H-ene= 0.98 Sym= (S-W) 1982 86 SER ( 86 ) CA <> 1 LYS ( 1 ) CB D= 4.10 H-ene= -- Sym= (B-S) 1983 86 SER ( 86 ) CB <> 1 LYS ( 1 ) CB D= 3.81 H-ene= -- Sym= (S-S) 1984 86 SER ( 86 ) CB <> 1 LYS ( 1 ) CD D= 4.08 H-ene= -- Sym= (S-S) 1985 86 SER ( 86 ) O <> 3 PHE ( 3 ) CZ D= 3.67 H-ene= -- Sym= (B-S) 1986 86 SER ( 86 ) C <> 88 ILE ( 88 ) N D= 3.78 H-ene= -- Sym= (B-B) 1987 86 SER ( 86 ) O <> 88 ILE ( 88 ) N D= 3.58 H-ene= -- Sym= (B-B) 1988 86 SER ( 86 ) N <> 133 HOH (HOH ) 243 D= 3.20 H-ene= 0.77 Sym= (B-W) 1989 86 SER ( 86 ) C <> 133 HOH (HOH ) 227 D= 3.66 H-ene= -- Sym= (B-W) 1990 86 SER ( 86 ) O <> 133 HOH (HOH ) 227 D= 2.66 H-ene= 0.63 Sym= (B-W) 1991 87 ASP ( 87 ) N <> 85 SER ( 85 ) C D= 3.01 H-ene= -- Sym= (B-B) 1992 87 ASP ( 87 ) N <> 85 SER ( 85 ) O D= 3.21 H-ene= -- Sym= (B-B) 1993 87 ASP ( 87 ) N <> 85 SER ( 85 ) CB D= 3.81 H-ene= -- Sym= (B-S) 1994 87 ASP ( 87 ) N <> 85 SER ( 85 ) OG D= 2.97 H-ene= 0.83 Sym= (B-S) 1995 87 ASP ( 87 ) CA <> 85 SER ( 85 ) OG D= 3.70 H-ene= -- Sym= (B-S) 1996 87 ASP ( 87 ) O <> 85 SER ( 85 ) CB D= 3.55 H-ene= -- Sym= (B-S) 1997 87 ASP ( 87 ) CB <> 85 SER ( 85 ) OG D= 3.48 H-ene= -- Sym= (S-S) 1998 87 ASP ( 87 ) C <> 89 THR ( 89 ) N D= 3.25 H-ene= -- Sym= (B-B) 1999 87 ASP ( 87 ) O <> 89 THR ( 89 ) N D= 3.36 H-ene= -- Sym= (B-B) 2000 87 ASP ( 87 ) CG <> 89 THR ( 89 ) OG1 D= 3.57 H-ene= -- Sym= (S-S) 2001 87 ASP ( 87 ) OD1 <> 89 THR ( 89 ) N D= 2.99 H-ene= 0.72 Sym= (S-B) 2002 87 ASP ( 87 ) OD1 <> 89 THR ( 89 ) CB D= 3.27 H-ene= -- Sym= (S-S) 2003 87 ASP ( 87 ) OD1 <> 89 THR ( 89 ) OG1 D= 2.60 H-ene= 0.64 Sym= (S-S) 2004 87 ASP ( 87 ) C <> 133 HOH (HOH ) 138 D= 3.66 H-ene= -- Sym= (B-W) 2005 87 ASP ( 87 ) C <> 133 HOH (HOH ) 150 D= 3.60 H-ene= -- Sym= (B-W) 2006 87 ASP ( 87 ) O <> 133 HOH (HOH ) 137 D= 2.88 H-ene= 0.90 Sym= (B-W) 2007 87 ASP ( 87 ) O <> 133 HOH (HOH ) 138 D= 3.16 H-ene= 0.53 Sym= (B-W) 2008 87 ASP ( 87 ) O <> 133 HOH (HOH ) 150 D= 2.75 H-ene= 0.71 Sym= (B-W) 2009 87 ASP ( 87 ) CG <> 133 HOH (HOH ) 206 D= 3.60 H-ene= -- Sym= (S-W) 2010 87 ASP ( 87 ) OD2 <> 133 HOH (HOH ) 206 D= 2.94 H-ene= 0.73 Sym= (S-W) 2011 88 ILE ( 88 ) CG2 <> 3 PHE ( 3 ) CE1 D= 3.67 H-ene= -- Sym= (S-S) 2012 88 ILE ( 88 ) CG2 <> 3 PHE ( 3 ) CZ D= 3.77 H-ene= -- Sym= (S-S) 2013 88 ILE ( 88 ) CD1 <> 11 ALA ( 11 ) C D= 4.00 H-ene= -- Sym= (S-B) 2014 88 ILE ( 88 ) CD1 <> 11 ALA ( 11 ) CB D= 3.66 H-ene= -- Sym= (S-S) 2015 88 ILE ( 88 ) N <> 86 SER ( 86 ) C D= 3.78 H-ene= -- Sym= (B-B) 2016 88 ILE ( 88 ) N <> 86 SER ( 86 ) O D= 3.58 H-ene= -- Sym= (B-B) 2017 88 ILE ( 88 ) C <> 90 ALA ( 90 ) N D= 3.29 H-ene= -- Sym= (B-B) 2018 88 ILE ( 88 ) O <> 90 ALA ( 90 ) N D= 3.17 H-ene= -- Sym= (B-B) 2019 88 ILE ( 88 ) C <> 91 SER ( 91 ) N D= 3.82 H-ene= -- Sym= (B-B) 2020 88 ILE ( 88 ) O <> 91 SER ( 91 ) N D= 3.00 H-ene= 0.16 Sym= (B-B) 2021 88 ILE ( 88 ) O <> 91 SER ( 91 ) CA D= 3.52 H-ene= -- Sym= (B-B) 2022 88 ILE ( 88 ) O <> 91 SER ( 91 ) C D= 3.66 H-ene= -- Sym= (B-B) 2023 88 ILE ( 88 ) O <> 91 SER ( 91 ) CB D= 3.49 H-ene= -- Sym= (B-S) 2024 88 ILE ( 88 ) O <> 92 VAL ( 92 ) N D= 2.86 H-ene= 0.80 Sym= (B-B) 2025 88 ILE ( 88 ) O <> 92 VAL ( 92 ) CB D= 3.63 H-ene= -- Sym= (B-S) 2026 88 ILE ( 88 ) O <> 92 VAL ( 92 ) CG2 D= 3.42 H-ene= -- Sym= (B-S) 2027 88 ILE ( 88 ) CG1 <> 92 VAL ( 92 ) CG2 D= 3.89 H-ene= -- Sym= (S-S) 2028 88 ILE ( 88 ) CD1 <> 92 VAL ( 92 ) CG2 D= 3.78 H-ene= -- Sym= (S-S) 2029 88 ILE ( 88 ) N <> 133 HOH (HOH ) 164 D= 3.28 H-ene= 0.73 Sym= (B-W) 2030 88 ILE ( 88 ) CA <> 133 HOH (HOH ) 137 D= 3.63 H-ene= -- Sym= (B-W) 2031 88 ILE ( 88 ) CA <> 133 HOH (HOH ) 138 D= 3.26 H-ene= -- Sym= (B-W) 2032 88 ILE ( 88 ) C <> 133 HOH (HOH ) 137 D= 3.61 H-ene= -- Sym= (B-W) 2033 88 ILE ( 88 ) CG1 <> 133 HOH (HOH ) 164 D= 3.62 H-ene= -- Sym= (S-W) 2034 88 ILE ( 88 ) CG2 <> 133 HOH (HOH ) 138 D= 3.64 H-ene= -- Sym= (S-W) 2035 89 THR ( 89 ) CA <> 15 HIS ( 15 ) CD2 D= 4.07 H-ene= -- Sym= (B-S) 2036 89 THR ( 89 ) CA <> 15 HIS ( 15 ) NE2 D= 3.92 H-ene= -- Sym= (B-S) 2037 89 THR ( 89 ) CB <> 15 HIS ( 15 ) NE2 D= 3.81 H-ene= -- Sym= (S-S) 2038 89 THR ( 89 ) OG1 <> 15 HIS ( 15 ) CD2 D= 3.60 H-ene= -- Sym= (S-S) 2039 89 THR ( 89 ) OG1 <> 15 HIS ( 15 ) CE1 D= 3.69 H-ene= -- Sym= (S-S) 2040 89 THR ( 89 ) OG1 <> 15 HIS ( 15 ) NE2 D= 2.81 H-ene= 0.67 Sym= (S-S) 2041 89 THR ( 89 ) N <> 87 ASP ( 87 ) C D= 3.25 H-ene= -- Sym= (B-B) 2042 89 THR ( 89 ) N <> 87 ASP ( 87 ) O D= 3.36 H-ene= -- Sym= (B-B) 2043 89 THR ( 89 ) N <> 87 ASP ( 87 ) OD1 D= 2.99 H-ene= 0.72 Sym= (B-S) 2044 89 THR ( 89 ) CB <> 87 ASP ( 87 ) OD1 D= 3.27 H-ene= -- Sym= (S-S) 2045 89 THR ( 89 ) OG1 <> 87 ASP ( 87 ) CG D= 3.57 H-ene= -- Sym= (S-S) 2046 89 THR ( 89 ) OG1 <> 87 ASP ( 87 ) OD1 D= 2.60 H-ene= 0.64 Sym= (S-S) 2047 89 THR ( 89 ) C <> 91 SER ( 91 ) N D= 3.29 H-ene= -- Sym= (B-B) 2048 89 THR ( 89 ) O <> 91 SER ( 91 ) N D= 3.41 H-ene= -- Sym= (B-B) 2049 89 THR ( 89 ) C <> 92 VAL ( 92 ) N D= 3.82 H-ene= -- Sym= (B-B) 2050 89 THR ( 89 ) O <> 92 VAL ( 92 ) N D= 3.27 H-ene= -- Sym= (B-B) 2051 89 THR ( 89 ) O <> 93 ASN ( 93 ) N D= 2.87 H-ene= 0.70 Sym= (B-B) 2052 89 THR ( 89 ) O <> 93 ASN ( 93 ) CB D= 3.51 H-ene= -- Sym= (B-S) 2053 89 THR ( 89 ) O <> 93 ASN ( 93 ) CG D= 3.26 H-ene= -- Sym= (B-S) 2054 89 THR ( 89 ) O <> 93 ASN ( 93 ) ND2 D= 3.49 H-ene= -- Sym= (B-S) 2055 89 THR ( 89 ) CG2 <> 93 ASN ( 93 ) ND2 D= 3.58 H-ene= -- Sym= (S-S) 2056 89 THR ( 89 ) N <> 133 HOH (HOH ) 150 D= 3.56 H-ene= -- Sym= (B-W) 2057 89 THR ( 89 ) CB <> 133 HOH (HOH ) 206 D= 3.59 H-ene= -- Sym= (S-W) 2058 89 THR ( 89 ) OG1 <> 133 HOH (HOH ) 206 D= 2.97 H-ene= 0.97 Sym= (S-W) 2059 89 THR ( 89 ) OG1 <> 133 HOH (HOH ) 259 D= 2.95 H-ene= 0.97 Sym= (S-W) 2060 89 THR ( 89 ) CG2 <> 133 HOH (HOH ) 197 D= 3.59 H-ene= -- Sym= (S-W) 2061 89 THR ( 89 ) CG2 <> 133 HOH (HOH ) 258 D= 3.53 H-ene= -- Sym= (S-W) 2062 89 THR ( 89 ) CG2 <> 133 HOH (HOH ) 259 D= 3.64 H-ene= -- Sym= (S-W) 2063 90 ALA ( 90 ) C <> 83 LEU ( 83 ) CD2 D= 3.90 H-ene= -- Sym= (B-S) 2064 90 ALA ( 90 ) N <> 88 ILE ( 88 ) C D= 3.29 H-ene= -- Sym= (B-B) 2065 90 ALA ( 90 ) N <> 88 ILE ( 88 ) O D= 3.17 H-ene= -- Sym= (B-B) 2066 90 ALA ( 90 ) C <> 92 VAL ( 92 ) N D= 3.28 H-ene= -- Sym= (B-B) 2067 90 ALA ( 90 ) O <> 92 VAL ( 92 ) N D= 3.44 H-ene= -- Sym= (B-B) 2068 90 ALA ( 90 ) C <> 93 ASN ( 93 ) N D= 3.89 H-ene= -- Sym= (B-B) 2069 90 ALA ( 90 ) O <> 93 ASN ( 93 ) N D= 3.42 H-ene= -- Sym= (B-B) 2070 90 ALA ( 90 ) O <> 94 CYS ( 94 ) N D= 3.01 H-ene= 0.63 Sym= (B-B) 2071 90 ALA ( 90 ) O <> 94 CYS ( 94 ) CB D= 3.42 H-ene= -- Sym= (B-S) 2072 90 ALA ( 90 ) N <> 133 HOH (HOH ) 137 D= 3.52 H-ene= -- Sym= (B-W) 2073 90 ALA ( 90 ) N <> 133 HOH (HOH ) 150 D= 3.00 H-ene= 0.83 Sym= (B-W) 2074 90 ALA ( 90 ) CA <> 133 HOH (HOH ) 195 D= 3.68 H-ene= -- Sym= (B-W) 2075 90 ALA ( 90 ) O <> 133 HOH (HOH ) 163 D= 2.96 H-ene= 0.94 Sym= (B-W) 2076 90 ALA ( 90 ) CB <> 133 HOH (HOH ) 137 D= 3.49 H-ene= -- Sym= (S-W) 2077 90 ALA ( 90 ) CB <> 133 HOH (HOH ) 150 D= 3.53 H-ene= -- Sym= (S-W) 2078 91 SER ( 91 ) O <> 58 ILE ( 58 ) CD1 D= 3.70 H-ene= -- Sym= (B-S) 2079 91 SER ( 91 ) N <> 83 LEU ( 83 ) CD2 D= 3.75 H-ene= -- Sym= (B-S) 2080 91 SER ( 91 ) CA <> 83 LEU ( 83 ) CD2 D= 3.65 H-ene= -- Sym= (B-S) 2081 91 SER ( 91 ) OG <> 83 LEU ( 83 ) CD2 D= 3.60 H-ene= -- Sym= (S-S) 2082 91 SER ( 91 ) N <> 88 ILE ( 88 ) C D= 3.82 H-ene= -- Sym= (B-B) 2083 91 SER ( 91 ) N <> 88 ILE ( 88 ) O D= 3.00 H-ene= 0.16 Sym= (B-B) 2084 91 SER ( 91 ) CA <> 88 ILE ( 88 ) O D= 3.52 H-ene= -- Sym= (B-B) 2085 91 SER ( 91 ) C <> 88 ILE ( 88 ) O D= 3.66 H-ene= -- Sym= (B-B) 2086 91 SER ( 91 ) CB <> 88 ILE ( 88 ) O D= 3.49 H-ene= -- Sym= (S-B) 2087 91 SER ( 91 ) N <> 89 THR ( 89 ) C D= 3.29 H-ene= -- Sym= (B-B) 2088 91 SER ( 91 ) N <> 89 THR ( 89 ) O D= 3.41 H-ene= -- Sym= (B-B) 2089 91 SER ( 91 ) C <> 93 ASN ( 93 ) N D= 3.41 H-ene= -- Sym= (B-B) 2090 91 SER ( 91 ) O <> 93 ASN ( 93 ) N D= 3.58 H-ene= -- Sym= (B-B) 2091 91 SER ( 91 ) C <> 94 CYS ( 94 ) N D= 3.94 H-ene= -- Sym= (B-B) 2092 91 SER ( 91 ) O <> 94 CYS ( 94 ) N D= 3.47 H-ene= -- Sym= (B-B) 2093 91 SER ( 91 ) C <> 95 ALA ( 95 ) N D= 3.98 H-ene= -- Sym= (B-B) 2094 91 SER ( 91 ) O <> 95 ALA ( 95 ) N D= 2.84 H-ene= 0.60 Sym= (B-B) 2095 91 SER ( 91 ) O <> 95 ALA ( 95 ) CA D= 3.58 H-ene= -- Sym= (B-B) 2096 91 SER ( 91 ) O <> 95 ALA ( 95 ) CB D= 3.19 H-ene= -- Sym= (B-S) 2097 91 SER ( 91 ) N <> 133 HOH (HOH ) 137 D= 3.05 H-ene= 0.66 Sym= (B-W) 2098 91 SER ( 91 ) CB <> 133 HOH (HOH ) 137 D= 3.66 H-ene= -- Sym= (S-W) 2099 91 SER ( 91 ) CB <> 133 HOH (HOH ) 142 D= 3.60 H-ene= -- Sym= (S-W) 2100 91 SER ( 91 ) OG <> 133 HOH (HOH ) 142 D= 2.85 H-ene= 0.98 Sym= (S-W) 2101 91 SER ( 91 ) OG <> 133 HOH (HOH ) 155 D= 2.89 H-ene= 0.98 Sym= (S-W) 2102 92 VAL ( 92 ) CG1 <> 15 HIS ( 15 ) CB D= 3.74 H-ene= -- Sym= (S-S) 2103 92 VAL ( 92 ) CG1 <> 17 LEU ( 17 ) CG D= 3.63 H-ene= -- Sym= (S-S) 2104 92 VAL ( 92 ) CG1 <> 17 LEU ( 17 ) CD1 D= 3.96 H-ene= -- Sym= (S-S) 2105 92 VAL ( 92 ) CG1 <> 17 LEU ( 17 ) CD2 D= 3.92 H-ene= -- Sym= (S-S) 2106 92 VAL ( 92 ) CG2 <> 17 LEU ( 17 ) CD1 D= 3.95 H-ene= -- Sym= (S-S) 2107 92 VAL ( 92 ) N <> 88 ILE ( 88 ) O D= 2.86 H-ene= 0.80 Sym= (B-B) 2108 92 VAL ( 92 ) CB <> 88 ILE ( 88 ) O D= 3.63 H-ene= -- Sym= (S-B) 2109 92 VAL ( 92 ) CG2 <> 88 ILE ( 88 ) O D= 3.42 H-ene= -- Sym= (S-B) 2110 92 VAL ( 92 ) CG2 <> 88 ILE ( 88 ) CG1 D= 3.89 H-ene= -- Sym= (S-S) 2111 92 VAL ( 92 ) CG2 <> 88 ILE ( 88 ) CD1 D= 3.78 H-ene= -- Sym= (S-S) 2112 92 VAL ( 92 ) N <> 89 THR ( 89 ) C D= 3.82 H-ene= -- Sym= (B-B) 2113 92 VAL ( 92 ) N <> 89 THR ( 89 ) O D= 3.27 H-ene= -- Sym= (B-B) 2114 92 VAL ( 92 ) N <> 90 ALA ( 90 ) C D= 3.28 H-ene= -- Sym= (B-B) 2115 92 VAL ( 92 ) N <> 90 ALA ( 90 ) O D= 3.44 H-ene= -- Sym= (B-B) 2116 92 VAL ( 92 ) C <> 94 CYS ( 94 ) N D= 3.24 H-ene= -- Sym= (B-B) 2117 92 VAL ( 92 ) O <> 94 CYS ( 94 ) N D= 3.33 H-ene= -- Sym= (B-B) 2118 92 VAL ( 92 ) C <> 95 ALA ( 95 ) N D= 3.70 H-ene= -- Sym= (B-B) 2119 92 VAL ( 92 ) O <> 95 ALA ( 95 ) N D= 3.16 H-ene= -- Sym= (B-B) 2120 92 VAL ( 92 ) O <> 95 ALA ( 95 ) CA D= 3.62 H-ene= -- Sym= (B-B) 2121 92 VAL ( 92 ) O <> 95 ALA ( 95 ) CB D= 3.50 H-ene= -- Sym= (B-S) 2122 92 VAL ( 92 ) O <> 96 LYS ( 96 ) N D= 2.94 H-ene= 0.59 Sym= (B-B) 2123 92 VAL ( 92 ) O <> 96 LYS ( 96 ) CB D= 3.69 H-ene= -- Sym= (B-S) 2124 92 VAL ( 92 ) O <> 96 LYS ( 96 ) CG D= 3.33 H-ene= -- Sym= (B-S) 2125 92 VAL ( 92 ) CG1 <> 96 LYS ( 96 ) CE D= 3.73 H-ene= -- Sym= (S-S) 2126 93 ASN ( 93 ) N <> 89 THR ( 89 ) O D= 2.87 H-ene= 0.70 Sym= (B-B) 2127 93 ASN ( 93 ) CB <> 89 THR ( 89 ) O D= 3.51 H-ene= -- Sym= (S-B) 2128 93 ASN ( 93 ) CG <> 89 THR ( 89 ) O D= 3.26 H-ene= -- Sym= (S-B) 2129 93 ASN ( 93 ) ND2 <> 89 THR ( 89 ) O D= 3.49 H-ene= -- Sym= (S-B) 2130 93 ASN ( 93 ) ND2 <> 89 THR ( 89 ) CG2 D= 3.58 H-ene= -- Sym= (S-S) 2131 93 ASN ( 93 ) N <> 90 ALA ( 90 ) C D= 3.89 H-ene= -- Sym= (B-B) 2132 93 ASN ( 93 ) N <> 90 ALA ( 90 ) O D= 3.42 H-ene= -- Sym= (B-B) 2133 93 ASN ( 93 ) N <> 91 SER ( 91 ) C D= 3.41 H-ene= -- Sym= (B-B) 2134 93 ASN ( 93 ) N <> 91 SER ( 91 ) O D= 3.58 H-ene= -- Sym= (B-B) 2135 93 ASN ( 93 ) C <> 95 ALA ( 95 ) N D= 3.35 H-ene= -- Sym= (B-B) 2136 93 ASN ( 93 ) C <> 96 LYS ( 96 ) N D= 3.85 H-ene= -- Sym= (B-B) 2137 93 ASN ( 93 ) O <> 96 LYS ( 96 ) N D= 3.44 H-ene= -- Sym= (B-B) 2138 93 ASN ( 93 ) O <> 96 LYS ( 96 ) CB D= 3.53 H-ene= -- Sym= (B-S) 2139 93 ASN ( 93 ) O <> 97 LYS ( 97 ) N D= 3.49 H-ene= 0.40 Sym= (B-B) 2140 93 ASN ( 93 ) C <> 133 HOH (HOH ) 189 D= 3.54 H-ene= -- Sym= (B-W) 2141 93 ASN ( 93 ) O <> 133 HOH (HOH ) 189 D= 2.70 H-ene= 0.83 Sym= (B-W) 2142 93 ASN ( 93 ) CB <> 133 HOH (HOH ) 195 D= 3.66 H-ene= -- Sym= (S-W) 2143 93 ASN ( 93 ) CG <> 133 HOH (HOH ) 197 D= 3.65 H-ene= -- Sym= (S-W) 2144 93 ASN ( 93 ) ND2 <> 133 HOH (HOH ) 195 D= 3.00 H-ene= 0.83 Sym= (S-W) 2145 93 ASN ( 93 ) ND2 <> 133 HOH (HOH ) 197 D= 2.99 H-ene= 0.78 Sym= (S-W) 2146 94 CYS ( 94 ) CB <> 58 ILE ( 58 ) CD1 D= 3.77 H-ene= -- Sym= (S-S) 2147 94 CYS ( 94 ) SG <> 58 ILE ( 58 ) CG2 D= 3.85 H-ene= -- Sym= (S-S) 2148 94 CYS ( 94 ) SG <> 58 ILE ( 58 ) CD1 D= 3.84 H-ene= -- Sym= (S-S) 2149 94 CYS ( 94 ) SG <> 63 TRP ( 63 ) CB D= 3.77 H-ene= -- Sym= (S-S) 2150 94 CYS ( 94 ) CA <> 76 CYS ( 76 ) SG D= 3.31 H-ene= -- Sym= (B-S) 2151 94 CYS ( 94 ) C <> 76 CYS ( 76 ) SG D= 3.96 H-ene= -- Sym= (B-S) 2152 94 CYS ( 94 ) O <> 76 CYS ( 76 ) SG D= 3.77 H-ene= -- Sym= (B-S) 2153 94 CYS ( 94 ) CB <> 76 CYS ( 76 ) CB D= 3.75 H-ene= -- Sym= (S-S) 2154 94 CYS ( 94 ) N <> 90 ALA ( 90 ) O D= 3.01 H-ene= 0.63 Sym= (B-B) 2155 94 CYS ( 94 ) CB <> 90 ALA ( 90 ) O D= 3.42 H-ene= -- Sym= (S-B) 2156 94 CYS ( 94 ) N <> 91 SER ( 91 ) C D= 3.94 H-ene= -- Sym= (B-B) 2157 94 CYS ( 94 ) N <> 91 SER ( 91 ) O D= 3.47 H-ene= -- Sym= (B-B) 2158 94 CYS ( 94 ) N <> 92 VAL ( 92 ) C D= 3.24 H-ene= -- Sym= (B-B) 2159 94 CYS ( 94 ) N <> 92 VAL ( 92 ) O D= 3.33 H-ene= -- Sym= (B-B) 2160 94 CYS ( 94 ) C <> 96 LYS ( 96 ) N D= 3.16 H-ene= -- Sym= (B-B) 2161 94 CYS ( 94 ) O <> 96 LYS ( 96 ) N D= 3.24 H-ene= -- Sym= (B-B) 2162 94 CYS ( 94 ) C <> 97 LYS ( 97 ) N D= 3.69 H-ene= -- Sym= (B-B) 2163 94 CYS ( 94 ) O <> 97 LYS ( 97 ) N D= 2.98 H-ene= 0.17 Sym= (B-B) 2164 94 CYS ( 94 ) O <> 97 LYS ( 97 ) CA D= 3.55 H-ene= -- Sym= (B-B) 2165 94 CYS ( 94 ) O <> 97 LYS ( 97 ) CB D= 3.45 H-ene= -- Sym= (B-S) 2166 94 CYS ( 94 ) O <> 98 ILE ( 98 ) N D= 3.02 H-ene= 0.71 Sym= (B-B) 2167 94 CYS ( 94 ) O <> 98 ILE ( 98 ) CG1 D= 3.37 H-ene= -- Sym= (B-S) 2168 94 CYS ( 94 ) SG <> 98 ILE ( 98 ) CD1 D= 4.19 H-ene= -- Sym= (S-S) 2169 95 ALA ( 95 ) CB <> 56 LEU ( 56 ) CD1 D= 3.64 H-ene= -- Sym= (S-S) 2170 95 ALA ( 95 ) N <> 91 SER ( 91 ) C D= 3.98 H-ene= -- Sym= (B-B) 2171 95 ALA ( 95 ) N <> 91 SER ( 91 ) O D= 2.84 H-ene= 0.60 Sym= (B-B) 2172 95 ALA ( 95 ) CA <> 91 SER ( 91 ) O D= 3.58 H-ene= -- Sym= (B-B) 2173 95 ALA ( 95 ) CB <> 91 SER ( 91 ) O D= 3.19 H-ene= -- Sym= (S-B) 2174 95 ALA ( 95 ) N <> 92 VAL ( 92 ) C D= 3.70 H-ene= -- Sym= (B-B) 2175 95 ALA ( 95 ) N <> 92 VAL ( 92 ) O D= 3.16 H-ene= -- Sym= (B-B) 2176 95 ALA ( 95 ) CA <> 92 VAL ( 92 ) O D= 3.62 H-ene= -- Sym= (B-B) 2177 95 ALA ( 95 ) CB <> 92 VAL ( 92 ) O D= 3.50 H-ene= -- Sym= (S-B) 2178 95 ALA ( 95 ) N <> 93 ASN ( 93 ) C D= 3.35 H-ene= -- Sym= (B-B) 2179 95 ALA ( 95 ) C <> 97 LYS ( 97 ) N D= 3.21 H-ene= -- Sym= (B-B) 2180 95 ALA ( 95 ) O <> 97 LYS ( 97 ) N D= 3.34 H-ene= -- Sym= (B-B) 2181 95 ALA ( 95 ) C <> 98 ILE ( 98 ) N D= 3.71 H-ene= -- Sym= (B-B) 2182 95 ALA ( 95 ) O <> 98 ILE ( 98 ) N D= 3.21 H-ene= -- Sym= (B-B) 2183 95 ALA ( 95 ) O <> 98 ILE ( 98 ) CA D= 3.67 H-ene= -- Sym= (B-B) 2184 95 ALA ( 95 ) O <> 98 ILE ( 98 ) CB D= 3.61 H-ene= -- Sym= (B-S) 2185 95 ALA ( 95 ) O <> 99 VAL ( 99 ) N D= 2.92 H-ene= 0.75 Sym= (B-B) 2186 95 ALA ( 95 ) O <> 99 VAL ( 99 ) CB D= 3.58 H-ene= -- Sym= (B-S) 2187 95 ALA ( 95 ) O <> 99 VAL ( 99 ) CG1 D= 3.40 H-ene= -- Sym= (B-S) 2188 95 ALA ( 95 ) CA <> 108 TRP ( 108 ) CH2 D= 4.07 H-ene= -- Sym= (B-S) 2189 95 ALA ( 95 ) CB <> 108 TRP ( 108 ) CZ2 D= 3.98 H-ene= -- Sym= (S-S) 2190 95 ALA ( 95 ) CB <> 108 TRP ( 108 ) CH2 D= 4.01 H-ene= -- Sym= (S-S) 2191 96 LYS ( 96 ) CE <> 15 HIS ( 15 ) O D= 3.33 H-ene= -- Sym= (S-B) 2192 96 LYS ( 96 ) NZ <> 15 HIS ( 15 ) C D= 3.89 H-ene= -- Sym= (S-B) 2193 96 LYS ( 96 ) NZ <> 15 HIS ( 15 ) O D= 2.70 H-ene= 0.54 Sym= (S-B) 2194 96 LYS ( 96 ) CG <> 17 LEU ( 17 ) CD2 D= 4.00 H-ene= -- Sym= (S-S) 2195 96 LYS ( 96 ) CE <> 17 LEU ( 17 ) CD2 D= 4.09 H-ene= -- Sym= (S-S) 2196 96 LYS ( 96 ) CA <> 20 TYR ( 20 ) CE2 D= 3.77 H-ene= -- Sym= (B-S) 2197 96 LYS ( 96 ) O <> 20 TYR ( 20 ) CE2 D= 3.65 H-ene= -- Sym= (B-S) 2198 96 LYS ( 96 ) CB <> 20 TYR ( 20 ) CE2 D= 3.71 H-ene= -- Sym= (S-S) 2199 96 LYS ( 96 ) CB <> 20 TYR ( 20 ) CZ D= 3.71 H-ene= -- Sym= (S-S) 2200 96 LYS ( 96 ) CG <> 20 TYR ( 20 ) CD2 D= 4.06 H-ene= -- Sym= (S-S) 2201 96 LYS ( 96 ) CG <> 20 TYR ( 20 ) CE1 D= 4.02 H-ene= -- Sym= (S-S) 2202 96 LYS ( 96 ) CG <> 20 TYR ( 20 ) CE2 D= 3.81 H-ene= -- Sym= (S-S) 2203 96 LYS ( 96 ) CG <> 20 TYR ( 20 ) CZ D= 3.77 H-ene= -- Sym= (S-S) 2204 96 LYS ( 96 ) CD <> 20 TYR ( 20 ) CE1 D= 3.91 H-ene= -- Sym= (S-S) 2205 96 LYS ( 96 ) CD <> 20 TYR ( 20 ) CZ D= 4.06 H-ene= -- Sym= (S-S) 2206 96 LYS ( 96 ) N <> 92 VAL ( 92 ) O D= 2.94 H-ene= 0.59 Sym= (B-B) 2207 96 LYS ( 96 ) CB <> 92 VAL ( 92 ) O D= 3.69 H-ene= -- Sym= (S-B) 2208 96 LYS ( 96 ) CG <> 92 VAL ( 92 ) O D= 3.33 H-ene= -- Sym= (S-B) 2209 96 LYS ( 96 ) CE <> 92 VAL ( 92 ) CG1 D= 3.73 H-ene= -- Sym= (S-S) 2210 96 LYS ( 96 ) N <> 93 ASN ( 93 ) C D= 3.85 H-ene= -- Sym= (B-B) 2211 96 LYS ( 96 ) N <> 93 ASN ( 93 ) O D= 3.44 H-ene= -- Sym= (B-B) 2212 96 LYS ( 96 ) CB <> 93 ASN ( 93 ) O D= 3.53 H-ene= -- Sym= (S-B) 2213 96 LYS ( 96 ) N <> 94 CYS ( 94 ) C D= 3.16 H-ene= -- Sym= (B-B) 2214 96 LYS ( 96 ) N <> 94 CYS ( 94 ) O D= 3.24 H-ene= -- Sym= (B-B) 2215 96 LYS ( 96 ) C <> 98 ILE ( 98 ) N D= 3.33 H-ene= -- Sym= (B-B) 2216 96 LYS ( 96 ) O <> 98 ILE ( 98 ) N D= 3.56 H-ene= -- Sym= (B-B) 2217 96 LYS ( 96 ) CA <> 99 VAL ( 99 ) CG1 D= 3.90 H-ene= -- Sym= (B-S) 2218 96 LYS ( 96 ) C <> 99 VAL ( 99 ) CG1 D= 3.92 H-ene= -- Sym= (B-S) 2219 96 LYS ( 96 ) O <> 99 VAL ( 99 ) CG1 D= 3.35 H-ene= -- Sym= (B-S) 2220 96 LYS ( 96 ) O <> 100 SER ( 100 ) N D= 3.33 H-ene= 0.31 Sym= (B-B) 2221 96 LYS ( 96 ) O <> 100 SER ( 100 ) CB D= 3.42 H-ene= -- Sym= (B-S) 2222 96 LYS ( 96 ) O <> 100 SER ( 100 ) OG D= 2.86 H-ene= 0.43 Sym= (B-S) 2223 96 LYS ( 96 ) CE <> 133 HOH (HOH ) 205 D= 3.48 H-ene= -- Sym= (S-W) 2224 96 LYS ( 96 ) NZ <> 133 HOH (HOH ) 205 D= 2.74 H-ene= 0.78 Sym= (S-W) 2225 97 LYS ( 97 ) CD <> 76 CYS ( 76 ) SG D= 4.23 H-ene= -- Sym= (S-S) 2226 97 LYS ( 97 ) N <> 93 ASN ( 93 ) O D= 3.49 H-ene= 0.40 Sym= (B-B) 2227 97 LYS ( 97 ) N <> 94 CYS ( 94 ) C D= 3.69 H-ene= -- Sym= (B-B) 2228 97 LYS ( 97 ) N <> 94 CYS ( 94 ) O D= 2.98 H-ene= 0.17 Sym= (B-B) 2229 97 LYS ( 97 ) CA <> 94 CYS ( 94 ) O D= 3.55 H-ene= -- Sym= (B-B) 2230 97 LYS ( 97 ) CB <> 94 CYS ( 94 ) O D= 3.45 H-ene= -- Sym= (S-B) 2231 97 LYS ( 97 ) N <> 95 ALA ( 95 ) C D= 3.21 H-ene= -- Sym= (B-B) 2232 97 LYS ( 97 ) N <> 95 ALA ( 95 ) O D= 3.34 H-ene= -- Sym= (B-B) 2233 97 LYS ( 97 ) C <> 99 VAL ( 99 ) N D= 3.40 H-ene= -- Sym= (B-B) 2234 97 LYS ( 97 ) O <> 99 VAL ( 99 ) N D= 3.52 H-ene= -- Sym= (B-B) 2235 97 LYS ( 97 ) C <> 100 SER ( 100 ) N D= 3.79 H-ene= -- Sym= (B-B) 2236 97 LYS ( 97 ) O <> 100 SER ( 100 ) N D= 3.23 H-ene= 0.11 Sym= (B-B) 2237 97 LYS ( 97 ) O <> 100 SER ( 100 ) CB D= 3.64 H-ene= -- Sym= (B-S) 2238 97 LYS ( 97 ) O <> 101 ASP ( 101 ) N D= 3.20 H-ene= 0.21 Sym= (B-B) 2239 97 LYS ( 97 ) CA <> 133 HOH (HOH ) 252 D= 3.69 H-ene= -- Sym= (B-W) 2240 97 LYS ( 97 ) O <> 133 HOH (HOH ) 229 D= 2.87 H-ene= 0.87 Sym= (B-W) 2241 97 LYS ( 97 ) CE <> 133 HOH (HOH ) 257 D= 3.22 H-ene= -- Sym= (S-W) 2242 97 LYS ( 97 ) NZ <> 133 HOH (HOH ) 151 D= 2.60 H-ene= 0.71 Sym= (S-W) 2243 97 LYS ( 97 ) NZ <> 133 HOH (HOH ) 189 D= 3.46 H-ene= 0.75 Sym= (S-W) 2244 97 LYS ( 97 ) NZ <> 133 HOH (HOH ) 257 D= 2.91 H-ene= 0.61 Sym= (S-W) 2245 98 ILE ( 98 ) CD1 <> 58 ILE ( 58 ) CG1 D= 3.71 H-ene= -- Sym= (S-S) 2246 98 ILE ( 98 ) CD1 <> 58 ILE ( 58 ) CG2 D= 3.96 H-ene= -- Sym= (S-S) 2247 98 ILE ( 98 ) CD1 <> 58 ILE ( 58 ) CD1 D= 3.97 H-ene= -- Sym= (S-S) 2248 98 ILE ( 98 ) CA <> 63 TRP ( 63 ) CH2 D= 3.90 H-ene= -- Sym= (B-S) 2249 98 ILE ( 98 ) CG1 <> 63 TRP ( 63 ) CG D= 3.97 H-ene= -- Sym= (S-S) 2250 98 ILE ( 98 ) CG1 <> 63 TRP ( 63 ) CD2 D= 3.46 H-ene= -- Sym= (S-S) 2251 98 ILE ( 98 ) CG1 <> 63 TRP ( 63 ) NE1 D= 3.89 H-ene= -- Sym= (S-S) 2252 98 ILE ( 98 ) CG1 <> 63 TRP ( 63 ) CE2 D= 3.44 H-ene= -- Sym= (S-S) 2253 98 ILE ( 98 ) CG1 <> 63 TRP ( 63 ) CE3 D= 3.73 H-ene= -- Sym= (S-S) 2254 98 ILE ( 98 ) CG1 <> 63 TRP ( 63 ) CZ2 D= 3.73 H-ene= -- Sym= (S-S) 2255 98 ILE ( 98 ) CG1 <> 63 TRP ( 63 ) CZ3 D= 3.96 H-ene= -- Sym= (S-S) 2256 98 ILE ( 98 ) CG1 <> 63 TRP ( 63 ) CH2 D= 3.96 H-ene= -- Sym= (S-S) 2257 98 ILE ( 98 ) CD1 <> 63 TRP ( 63 ) CG D= 3.88 H-ene= -- Sym= (S-S) 2258 98 ILE ( 98 ) CD1 <> 63 TRP ( 63 ) CD1 D= 3.91 H-ene= -- Sym= (S-S) 2259 98 ILE ( 98 ) CD1 <> 63 TRP ( 63 ) CD2 D= 3.92 H-ene= -- Sym= (S-S) 2260 98 ILE ( 98 ) CD1 <> 63 TRP ( 63 ) NE1 D= 3.97 H-ene= -- Sym= (S-S) 2261 98 ILE ( 98 ) CD1 <> 63 TRP ( 63 ) CE2 D= 3.98 H-ene= -- Sym= (S-S) 2262 98 ILE ( 98 ) N <> 94 CYS ( 94 ) O D= 3.02 H-ene= 0.71 Sym= (B-B) 2263 98 ILE ( 98 ) CG1 <> 94 CYS ( 94 ) O D= 3.37 H-ene= -- Sym= (S-B) 2264 98 ILE ( 98 ) CD1 <> 94 CYS ( 94 ) SG D= 4.19 H-ene= -- Sym= (S-S) 2265 98 ILE ( 98 ) N <> 95 ALA ( 95 ) C D= 3.71 H-ene= -- Sym= (B-B) 2266 98 ILE ( 98 ) N <> 95 ALA ( 95 ) O D= 3.21 H-ene= -- Sym= (B-B) 2267 98 ILE ( 98 ) CA <> 95 ALA ( 95 ) O D= 3.67 H-ene= -- Sym= (B-B) 2268 98 ILE ( 98 ) CB <> 95 ALA ( 95 ) O D= 3.61 H-ene= -- Sym= (S-B) 2269 98 ILE ( 98 ) N <> 96 LYS ( 96 ) C D= 3.33 H-ene= -- Sym= (B-B) 2270 98 ILE ( 98 ) N <> 96 LYS ( 96 ) O D= 3.56 H-ene= -- Sym= (B-B) 2271 98 ILE ( 98 ) C <> 100 SER ( 100 ) N D= 3.09 H-ene= -- Sym= (B-B) 2272 98 ILE ( 98 ) O <> 100 SER ( 100 ) N D= 3.08 H-ene= -- Sym= (B-B) 2273 98 ILE ( 98 ) C <> 101 ASP ( 101 ) N D= 3.66 H-ene= -- Sym= (B-B) 2274 98 ILE ( 98 ) C <> 101 ASP ( 101 ) CB D= 3.80 H-ene= -- Sym= (B-S) 2275 98 ILE ( 98 ) O <> 101 ASP ( 101 ) N D= 2.89 H-ene= 0.54 Sym= (B-B) 2276 98 ILE ( 98 ) O <> 101 ASP ( 101 ) CA D= 3.44 H-ene= -- Sym= (B-B) 2277 98 ILE ( 98 ) O <> 101 ASP ( 101 ) CB D= 2.81 H-ene= -- Sym= (B-S) 2278 98 ILE ( 98 ) CG2 <> 107 ALA ( 107 ) CB D= 3.68 H-ene= -- Sym= (S-S) 2279 98 ILE ( 98 ) CB <> 108 TRP ( 108 ) CH2 D= 3.86 H-ene= -- Sym= (S-S) 2280 98 ILE ( 98 ) CG2 <> 108 TRP ( 108 ) CZ2 D= 4.03 H-ene= -- Sym= (S-S) 2281 98 ILE ( 98 ) CG2 <> 108 TRP ( 108 ) CZ3 D= 4.07 H-ene= -- Sym= (S-S) 2282 98 ILE ( 98 ) CG2 <> 108 TRP ( 108 ) CH2 D= 3.70 H-ene= -- Sym= (S-S) 2283 98 ILE ( 98 ) CD1 <> 108 TRP ( 108 ) CZ2 D= 4.07 H-ene= -- Sym= (S-S) 2284 98 ILE ( 98 ) O <> 133 HOH (HOH ) 149 D= 2.93 H-ene= 0.72 Sym= (B-W) 2285 99 VAL ( 99 ) CG1 <> 20 TYR ( 20 ) CD2 D= 3.63 H-ene= -- Sym= (S-S) 2286 99 VAL ( 99 ) CG1 <> 20 TYR ( 20 ) CE2 D= 3.61 H-ene= -- Sym= (S-S) 2287 99 VAL ( 99 ) CG1 <> 21 ARG ( 21 ) CG D= 3.85 H-ene= -- Sym= (S-S) 2288 99 VAL ( 99 ) CG2 <> 23 TYR ( 23 ) CD2 D= 3.85 H-ene= -- Sym= (S-S) 2289 99 VAL ( 99 ) CG2 <> 23 TYR ( 23 ) CE2 D= 3.67 H-ene= -- Sym= (S-S) 2290 99 VAL ( 99 ) CB <> 28 TRP ( 28 ) CH2 D= 3.80 H-ene= -- Sym= (S-S) 2291 99 VAL ( 99 ) CG1 <> 28 TRP ( 28 ) CH2 D= 3.88 H-ene= -- Sym= (S-S) 2292 99 VAL ( 99 ) CG2 <> 28 TRP ( 28 ) CH2 D= 3.98 H-ene= -- Sym= (S-S) 2293 99 VAL ( 99 ) N <> 95 ALA ( 95 ) O D= 2.92 H-ene= 0.75 Sym= (B-B) 2294 99 VAL ( 99 ) CB <> 95 ALA ( 95 ) O D= 3.58 H-ene= -- Sym= (S-B) 2295 99 VAL ( 99 ) CG1 <> 95 ALA ( 95 ) O D= 3.40 H-ene= -- Sym= (S-B) 2296 99 VAL ( 99 ) CG1 <> 96 LYS ( 96 ) CA D= 3.90 H-ene= -- Sym= (S-B) 2297 99 VAL ( 99 ) CG1 <> 96 LYS ( 96 ) C D= 3.92 H-ene= -- Sym= (S-B) 2298 99 VAL ( 99 ) CG1 <> 96 LYS ( 96 ) O D= 3.35 H-ene= -- Sym= (S-B) 2299 99 VAL ( 99 ) N <> 97 LYS ( 97 ) C D= 3.40 H-ene= -- Sym= (B-B) 2300 99 VAL ( 99 ) N <> 97 LYS ( 97 ) O D= 3.52 H-ene= -- Sym= (B-B) 2301 99 VAL ( 99 ) C <> 101 ASP ( 101 ) N D= 3.27 H-ene= -- Sym= (B-B) 2302 99 VAL ( 99 ) O <> 104 GLY ( 104 ) CA D= 3.52 H-ene= -- Sym= (B-B) 2303 99 VAL ( 99 ) CG2 <> 104 GLY ( 104 ) CA D= 3.87 H-ene= -- Sym= (S-B) 2304 99 VAL ( 99 ) CG2 <> 104 GLY ( 104 ) C D= 3.67 H-ene= -- Sym= (S-B) 2305 99 VAL ( 99 ) CG2 <> 105 MET ( 105 ) N D= 3.83 H-ene= -- Sym= (S-B) 2306 99 VAL ( 99 ) CG2 <> 105 MET ( 105 ) CG D= 3.79 H-ene= -- Sym= (S-S) 2307 99 VAL ( 99 ) O <> 133 HOH (HOH ) 225 D= 2.80 H-ene= 0.76 Sym= (B-W) 2308 100 SER ( 100 ) CB <> 21 ARG ( 21 ) NE D= 3.97 H-ene= -- Sym= (S-S) 2309 100 SER ( 100 ) CB <> 21 ARG ( 21 ) CZ D= 3.66 H-ene= -- Sym= (S-S) 2310 100 SER ( 100 ) CB <> 21 ARG ( 21 ) NH1 D= 3.78 H-ene= -- Sym= (S-S) 2311 100 SER ( 100 ) CB <> 21 ARG ( 21 ) NH2 D= 3.86 H-ene= -- Sym= (S-S) 2312 100 SER ( 100 ) OG <> 21 ARG ( 21 ) NE D= 3.00 H-ene= -- Sym= (S-S) 2313 100 SER ( 100 ) OG <> 21 ARG ( 21 ) CZ D= 3.03 H-ene= -- Sym= (S-S) 2314 100 SER ( 100 ) OG <> 21 ARG ( 21 ) NH2 D= 3.22 H-ene= -- Sym= (S-S) 2315 100 SER ( 100 ) N <> 96 LYS ( 96 ) O D= 3.33 H-ene= 0.31 Sym= (B-B) 2316 100 SER ( 100 ) CB <> 96 LYS ( 96 ) O D= 3.42 H-ene= -- Sym= (S-B) 2317 100 SER ( 100 ) OG <> 96 LYS ( 96 ) O D= 2.86 H-ene= 0.43 Sym= (S-B) 2318 100 SER ( 100 ) N <> 97 LYS ( 97 ) C D= 3.79 H-ene= -- Sym= (B-B) 2319 100 SER ( 100 ) N <> 97 LYS ( 97 ) O D= 3.23 H-ene= 0.11 Sym= (B-B) 2320 100 SER ( 100 ) CB <> 97 LYS ( 97 ) O D= 3.64 H-ene= -- Sym= (S-B) 2321 100 SER ( 100 ) N <> 98 ILE ( 98 ) C D= 3.09 H-ene= -- Sym= (B-B) 2322 100 SER ( 100 ) N <> 98 ILE ( 98 ) O D= 3.08 H-ene= -- Sym= (B-B) 2323 100 SER ( 100 ) C <> 102 GLY ( 102 ) N D= 3.13 H-ene= -- Sym= (B-B) 2324 100 SER ( 100 ) O <> 102 GLY ( 102 ) N D= 3.08 H-ene= -- Sym= (B-B) 2325 101 ASP ( 101 ) CG <> 63 TRP ( 63 ) CH2 D= 3.82 H-ene= -- Sym= (S-S) 2326 101 ASP ( 101 ) N <> 97 LYS ( 97 ) O D= 3.20 H-ene= 0.21 Sym= (B-B) 2327 101 ASP ( 101 ) N <> 98 ILE ( 98 ) C D= 3.66 H-ene= -- Sym= (B-B) 2328 101 ASP ( 101 ) N <> 98 ILE ( 98 ) O D= 2.89 H-ene= 0.54 Sym= (B-B) 2329 101 ASP ( 101 ) CA <> 98 ILE ( 98 ) O D= 3.44 H-ene= -- Sym= (B-B) 2330 101 ASP ( 101 ) CB <> 98 ILE ( 98 ) C D= 3.80 H-ene= -- Sym= (S-B) 2331 101 ASP ( 101 ) CB <> 98 ILE ( 98 ) O D= 2.81 H-ene= -- Sym= (S-B) 2332 101 ASP ( 101 ) N <> 99 VAL ( 99 ) C D= 3.27 H-ene= -- Sym= (B-B) 2333 101 ASP ( 101 ) C <> 103 ASN ( 103 ) N D= 3.69 H-ene= -- Sym= (B-B) 2334 101 ASP ( 101 ) OD1 <> 133 HOH (HOH ) 261 D= 2.81 H-ene= 0.79 Sym= (S-W) 2335 101 ASP ( 101 ) OD2 <> 133 HOH (HOH ) 194 D= 2.92 H-ene= 0.94 Sym= (S-W) 2336 102 GLY ( 102 ) N <> 100 SER ( 100 ) C D= 3.13 H-ene= -- Sym= (B-B) 2337 102 GLY ( 102 ) N <> 100 SER ( 100 ) O D= 3.08 H-ene= -- Sym= (B-B) 2338 102 GLY ( 102 ) C <> 104 GLY ( 104 ) N D= 3.36 H-ene= -- Sym= (B-B) 2339 102 GLY ( 102 ) N <> 133 HOH (HOH ) 225 D= 3.59 H-ene= 0.28 Sym= (B-W) 2340 102 GLY ( 102 ) O <> 133 HOH (HOH ) 192 D= 2.83 H-ene= 0.76 Sym= (B-W) 2341 103 ASN ( 103 ) N <> 101 ASP ( 101 ) C D= 3.69 H-ene= -- Sym= (B-B) 2342 103 ASN ( 103 ) C <> 105 MET ( 105 ) N D= 3.94 H-ene= -- Sym= (B-B) 2343 103 ASN ( 103 ) O <> 105 MET ( 105 ) N D= 3.50 H-ene= -- Sym= (B-B) 2344 103 ASN ( 103 ) O <> 106 ASN ( 106 ) N D= 3.22 H-ene= 0.45 Sym= (B-B) 2345 103 ASN ( 103 ) O <> 106 ASN ( 106 ) CB D= 3.28 H-ene= -- Sym= (B-S) 2346 103 ASN ( 103 ) O <> 106 ASN ( 106 ) CG D= 3.63 H-ene= -- Sym= (B-S) 2347 103 ASN ( 103 ) O <> 106 ASN ( 106 ) ND2 D= 3.05 H-ene= 0.52 Sym= (B-S) 2348 103 ASN ( 103 ) N <> 133 HOH (HOH ) 149 D= 3.44 H-ene= 0.36 Sym= (B-W) 2349 103 ASN ( 103 ) CA <> 133 HOH (HOH ) 149 D= 3.68 H-ene= -- Sym= (B-W) 2350 103 ASN ( 103 ) C <> 133 HOH (HOH ) 149 D= 3.55 H-ene= -- Sym= (B-W) 2351 103 ASN ( 103 ) CB <> 133 HOH (HOH ) 149 D= 3.60 H-ene= -- Sym= (S-W) 2352 103 ASN ( 103 ) ND2 <> 133 HOH (HOH ) 194 D= 2.86 H-ene= 0.87 Sym= (S-W) 2353 104 GLY ( 104 ) CA <> 23 TYR ( 23 ) OH D= 3.41 H-ene= -- Sym= (B-S) 2354 104 GLY ( 104 ) CA <> 99 VAL ( 99 ) O D= 3.52 H-ene= -- Sym= (B-B) 2355 104 GLY ( 104 ) CA <> 99 VAL ( 99 ) CG2 D= 3.87 H-ene= -- Sym= (B-S) 2356 104 GLY ( 104 ) C <> 99 VAL ( 99 ) CG2 D= 3.67 H-ene= -- Sym= (B-S) 2357 104 GLY ( 104 ) N <> 102 GLY ( 102 ) C D= 3.36 H-ene= -- Sym= (B-B) 2358 104 GLY ( 104 ) C <> 106 ASN ( 106 ) N D= 3.11 H-ene= -- Sym= (B-B) 2359 104 GLY ( 104 ) O <> 106 ASN ( 106 ) N D= 3.17 H-ene= -- Sym= (B-B) 2360 104 GLY ( 104 ) O <> 107 ALA ( 107 ) N D= 3.43 H-ene= 0.60 Sym= (B-B) 2361 104 GLY ( 104 ) O <> 107 ALA ( 107 ) CB D= 3.68 H-ene= -- Sym= (B-S) 2362 104 GLY ( 104 ) N <> 133 HOH (HOH ) 149 D= 3.31 H-ene= -- Sym= (B-W) 2363 104 GLY ( 104 ) N <> 133 HOH (HOH ) 225 D= 3.36 H-ene= 0.32 Sym= (B-W) 2364 104 GLY ( 104 ) CA <> 133 HOH (HOH ) 225 D= 3.60 H-ene= -- Sym= (B-W) 2365 104 GLY ( 104 ) O <> 133 HOH (HOH ) 149 D= 2.84 H-ene= 0.95 Sym= (B-W) 2366 105 MET ( 105 ) N <> 23 TYR ( 23 ) CE2 D= 3.92 H-ene= -- Sym= (B-S) 2367 105 MET ( 105 ) N <> 23 TYR ( 23 ) CZ D= 3.45 H-ene= -- Sym= (B-S) 2368 105 MET ( 105 ) N <> 23 TYR ( 23 ) OH D= 3.04 H-ene= 0.94 Sym= (B-S) 2369 105 MET ( 105 ) CB <> 23 TYR ( 23 ) CD1 D= 4.07 H-ene= -- Sym= (S-S) 2370 105 MET ( 105 ) CB <> 23 TYR ( 23 ) CE1 D= 3.63 H-ene= -- Sym= (S-S) 2371 105 MET ( 105 ) CB <> 23 TYR ( 23 ) CZ D= 3.86 H-ene= -- Sym= (S-S) 2372 105 MET ( 105 ) CG <> 23 TYR ( 23 ) CG D= 3.76 H-ene= -- Sym= (S-S) 2373 105 MET ( 105 ) CG <> 23 TYR ( 23 ) CD1 D= 3.59 H-ene= -- Sym= (S-S) 2374 105 MET ( 105 ) CG <> 23 TYR ( 23 ) CD2 D= 3.93 H-ene= -- Sym= (S-S) 2375 105 MET ( 105 ) CG <> 23 TYR ( 23 ) CE1 D= 3.60 H-ene= -- Sym= (S-S) 2376 105 MET ( 105 ) CG <> 23 TYR ( 23 ) CE2 D= 3.95 H-ene= -- Sym= (S-S) 2377 105 MET ( 105 ) CG <> 23 TYR ( 23 ) CZ D= 3.78 H-ene= -- Sym= (S-S) 2378 105 MET ( 105 ) SD <> 23 TYR ( 23 ) CB D= 3.83 H-ene= -- Sym= (S-S) 2379 105 MET ( 105 ) SD <> 23 TYR ( 23 ) CG D= 3.59 H-ene= -- Sym= (S-S) 2380 105 MET ( 105 ) SD <> 23 TYR ( 23 ) CD1 D= 3.38 H-ene= -- Sym= (S-S) 2381 105 MET ( 105 ) SD <> 23 TYR ( 23 ) CE1 D= 3.97 H-ene= -- Sym= (S-S) 2382 105 MET ( 105 ) SD <> 27 ASN ( 27 ) CB D= 3.79 H-ene= -- Sym= (S-S) 2383 105 MET ( 105 ) CE <> 27 ASN ( 27 ) C D= 4.09 H-ene= -- Sym= (S-B) 2384 105 MET ( 105 ) SD <> 28 TRP ( 28 ) CD2 D= 4.17 H-ene= -- Sym= (S-S) 2385 105 MET ( 105 ) SD <> 28 TRP ( 28 ) CE2 D= 4.05 H-ene= -- Sym= (S-S) 2386 105 MET ( 105 ) SD <> 28 TRP ( 28 ) CZ2 D= 4.13 H-ene= -- Sym= (S-S) 2387 105 MET ( 105 ) SD <> 28 TRP ( 28 ) CH2 D= 4.29 H-ene= -- Sym= (S-S) 2388 105 MET ( 105 ) CE <> 28 TRP ( 28 ) CD2 D= 4.01 H-ene= -- Sym= (S-S) 2389 105 MET ( 105 ) CE <> 28 TRP ( 28 ) CE3 D= 3.72 H-ene= -- Sym= (S-S) 2390 105 MET ( 105 ) CE <> 28 TRP ( 28 ) CZ3 D= 3.93 H-ene= -- Sym= (S-S) 2391 105 MET ( 105 ) CE <> 31 ALA ( 31 ) CB D= 3.74 H-ene= -- Sym= (S-S) 2392 105 MET ( 105 ) N <> 99 VAL ( 99 ) CG2 D= 3.83 H-ene= -- Sym= (B-S) 2393 105 MET ( 105 ) CG <> 99 VAL ( 99 ) CG2 D= 3.79 H-ene= -- Sym= (S-S) 2394 105 MET ( 105 ) N <> 103 ASN ( 103 ) C D= 3.94 H-ene= -- Sym= (B-B) 2395 105 MET ( 105 ) N <> 103 ASN ( 103 ) O D= 3.50 H-ene= -- Sym= (B-B) 2396 105 MET ( 105 ) CA <> 107 ALA ( 107 ) N D= 3.97 H-ene= -- Sym= (B-B) 2397 105 MET ( 105 ) C <> 107 ALA ( 107 ) N D= 2.90 H-ene= -- Sym= (B-B) 2398 105 MET ( 105 ) O <> 107 ALA ( 107 ) N D= 3.00 H-ene= -- Sym= (B-B) 2399 105 MET ( 105 ) CA <> 108 TRP ( 108 ) CE3 D= 3.79 H-ene= -- Sym= (B-S) 2400 105 MET ( 105 ) C <> 108 TRP ( 108 ) N D= 3.79 H-ene= -- Sym= (B-B) 2401 105 MET ( 105 ) C <> 108 TRP ( 108 ) CE3 D= 4.05 H-ene= -- Sym= (B-S) 2402 105 MET ( 105 ) O <> 108 TRP ( 108 ) N D= 2.95 H-ene= 0.67 Sym= (B-B) 2403 105 MET ( 105 ) O <> 108 TRP ( 108 ) CA D= 3.68 H-ene= -- Sym= (B-B) 2404 105 MET ( 105 ) O <> 108 TRP ( 108 ) CB D= 3.63 H-ene= -- Sym= (B-S) 2405 105 MET ( 105 ) O <> 108 TRP ( 108 ) CE3 D= 3.66 H-ene= -- Sym= (B-S) 2406 105 MET ( 105 ) CA <> 111 TRP ( 111 ) CE3 D= 3.99 H-ene= -- Sym= (B-S) 2407 105 MET ( 105 ) C <> 111 TRP ( 111 ) CE3 D= 3.31 H-ene= -- Sym= (B-S) 2408 105 MET ( 105 ) C <> 111 TRP ( 111 ) CZ3 D= 3.65 H-ene= -- Sym= (B-S) 2409 105 MET ( 105 ) O <> 111 TRP ( 111 ) CE3 D= 3.12 H-ene= -- Sym= (B-S) 2410 105 MET ( 105 ) CB <> 111 TRP ( 111 ) CG D= 4.08 H-ene= -- Sym= (S-S) 2411 105 MET ( 105 ) CB <> 111 TRP ( 111 ) CD2 D= 3.52 H-ene= -- Sym= (S-S) 2412 105 MET ( 105 ) CB <> 111 TRP ( 111 ) CE2 D= 3.79 H-ene= -- Sym= (S-S) 2413 105 MET ( 105 ) CB <> 111 TRP ( 111 ) CE3 D= 3.51 H-ene= -- Sym= (S-S) 2414 105 MET ( 105 ) CB <> 111 TRP ( 111 ) CZ2 D= 4.06 H-ene= -- Sym= (S-S) 2415 105 MET ( 105 ) CB <> 111 TRP ( 111 ) CZ3 D= 3.77 H-ene= -- Sym= (S-S) 2416 105 MET ( 105 ) CB <> 111 TRP ( 111 ) CH2 D= 4.03 H-ene= -- Sym= (S-S) 2417 105 MET ( 105 ) SD <> 111 TRP ( 111 ) CD1 D= 4.19 H-ene= -- Sym= (S-S) 2418 105 MET ( 105 ) SD <> 111 TRP ( 111 ) NE1 D= 3.99 H-ene= -- Sym= (S-S) 2419 105 MET ( 105 ) SD <> 111 TRP ( 111 ) CE2 D= 4.19 H-ene= -- Sym= (S-S) 2420 105 MET ( 105 ) CE <> 111 TRP ( 111 ) CG D= 3.97 H-ene= -- Sym= (S-S) 2421 105 MET ( 105 ) CE <> 111 TRP ( 111 ) CD1 D= 3.72 H-ene= -- Sym= (S-S) 2422 106 ASN ( 106 ) N <> 103 ASN ( 103 ) O D= 3.22 H-ene= 0.45 Sym= (B-B) 2423 106 ASN ( 106 ) CB <> 103 ASN ( 103 ) O D= 3.28 H-ene= -- Sym= (S-B) 2424 106 ASN ( 106 ) CG <> 103 ASN ( 103 ) O D= 3.63 H-ene= -- Sym= (S-B) 2425 106 ASN ( 106 ) ND2 <> 103 ASN ( 103 ) O D= 3.05 H-ene= 0.52 Sym= (S-B) 2426 106 ASN ( 106 ) N <> 104 GLY ( 104 ) C D= 3.11 H-ene= -- Sym= (B-B) 2427 106 ASN ( 106 ) N <> 104 GLY ( 104 ) O D= 3.17 H-ene= -- Sym= (B-B) 2428 106 ASN ( 106 ) C <> 108 TRP ( 108 ) N D= 3.03 H-ene= -- Sym= (B-B) 2429 106 ASN ( 106 ) O <> 108 TRP ( 108 ) N D= 3.15 H-ene= -- Sym= (B-B) 2430 106 ASN ( 106 ) N <> 111 TRP ( 111 ) CE3 D= 3.69 H-ene= -- Sym= (B-S) 2431 106 ASN ( 106 ) N <> 111 TRP ( 111 ) CZ3 D= 3.65 H-ene= -- Sym= (B-S) 2432 106 ASN ( 106 ) CA <> 111 TRP ( 111 ) CE3 D= 3.95 H-ene= -- Sym= (B-S) 2433 106 ASN ( 106 ) CA <> 111 TRP ( 111 ) CZ3 D= 4.00 H-ene= -- Sym= (B-S) 2434 106 ASN ( 106 ) CG <> 111 TRP ( 111 ) CZ3 D= 3.82 H-ene= -- Sym= (S-S) 2435 106 ASN ( 106 ) OD1 <> 111 TRP ( 111 ) CZ3 D= 3.33 H-ene= -- Sym= (S-S) 2436 106 ASN ( 106 ) O <> 112 ARG ( 112 ) NE D= 3.28 H-ene= 0.59 Sym= (B-S) 2437 106 ASN ( 106 ) O <> 112 ARG ( 112 ) CZ D= 3.52 H-ene= -- Sym= (B-S) 2438 106 ASN ( 106 ) O <> 112 ARG ( 112 ) NH2 D= 2.89 H-ene= 0.63 Sym= (B-S) 2439 106 ASN ( 106 ) OD1 <> 112 ARG ( 112 ) CG D= 3.48 H-ene= -- Sym= (S-S) 2440 106 ASN ( 106 ) CG <> 116 LYS ( 116 ) NZ D= 3.65 H-ene= -- Sym= (S-S) 2441 106 ASN ( 106 ) OD1 <> 116 LYS ( 116 ) CD D= 3.67 H-ene= -- Sym= (S-S) 2442 106 ASN ( 106 ) OD1 <> 116 LYS ( 116 ) CE D= 3.58 H-ene= -- Sym= (S-S) 2443 106 ASN ( 106 ) OD1 <> 116 LYS ( 116 ) NZ D= 2.83 H-ene= 0.71 Sym= (S-S) 2444 106 ASN ( 106 ) ND2 <> 116 LYS ( 116 ) NZ D= 3.76 H-ene= -- Sym= (S-S) 2445 107 ALA ( 107 ) CB <> 98 ILE ( 98 ) CG2 D= 3.68 H-ene= -- Sym= (S-S) 2446 107 ALA ( 107 ) N <> 104 GLY ( 104 ) O D= 3.43 H-ene= 0.60 Sym= (B-B) 2447 107 ALA ( 107 ) CB <> 104 GLY ( 104 ) O D= 3.68 H-ene= -- Sym= (S-B) 2448 107 ALA ( 107 ) N <> 105 MET ( 105 ) CA D= 3.97 H-ene= -- Sym= (B-B) 2449 107 ALA ( 107 ) N <> 105 MET ( 105 ) C D= 2.90 H-ene= -- Sym= (B-B) 2450 107 ALA ( 107 ) N <> 105 MET ( 105 ) O D= 3.00 H-ene= -- Sym= (B-B) 2451 107 ALA ( 107 ) C <> 109 VAL ( 109 ) N D= 3.78 H-ene= -- Sym= (B-B) 2452 107 ALA ( 107 ) C <> 133 HOH (HOH ) 153 D= 3.60 H-ene= -- Sym= (B-W) 2453 107 ALA ( 107 ) C <> 133 HOH (HOH ) 235 D= 3.63 H-ene= -- Sym= (B-W) 2454 107 ALA ( 107 ) O <> 133 HOH (HOH ) 153 D= 3.06 H-ene= 0.58 Sym= (B-W) 2455 107 ALA ( 107 ) O <> 133 HOH (HOH ) 158 D= 3.06 H-ene= 0.89 Sym= (B-W) 2456 107 ALA ( 107 ) O <> 133 HOH (HOH ) 235 D= 2.73 H-ene= 0.97 Sym= (B-W) 2457 107 ALA ( 107 ) CB <> 133 HOH (HOH ) 149 D= 3.41 H-ene= -- Sym= (S-W) 2458 108 TRP ( 108 ) CZ3 <> 28 TRP ( 28 ) CZ3 D= 3.97 H-ene= -- Sym= (S-S) 2459 108 TRP ( 108 ) CH2 <> 28 TRP ( 28 ) CZ3 D= 3.85 H-ene= -- Sym= (S-S) 2460 108 TRP ( 108 ) CB <> 35 GLU ( 35 ) OE2 D= 3.61 H-ene= -- Sym= (S-S) 2461 108 TRP ( 108 ) CD1 <> 35 GLU ( 35 ) CG D= 4.10 H-ene= -- Sym= (S-S) 2462 108 TRP ( 108 ) CD1 <> 35 GLU ( 35 ) CD D= 4.02 H-ene= -- Sym= (S-S) 2463 108 TRP ( 108 ) CD1 <> 56 LEU ( 56 ) O D= 3.14 H-ene= -- Sym= (S-B) 2464 108 TRP ( 108 ) NE1 <> 56 LEU ( 56 ) C D= 3.80 H-ene= -- Sym= (S-B) 2465 108 TRP ( 108 ) NE1 <> 56 LEU ( 56 ) O D= 2.71 H-ene= 0.57 Sym= (S-B) 2466 108 TRP ( 108 ) NE1 <> 56 LEU ( 56 ) CB D= 3.84 H-ene= -- Sym= (S-S) 2467 108 TRP ( 108 ) CZ2 <> 95 ALA ( 95 ) CB D= 3.98 H-ene= -- Sym= (S-S) 2468 108 TRP ( 108 ) CH2 <> 95 ALA ( 95 ) CA D= 4.07 H-ene= -- Sym= (S-B) 2469 108 TRP ( 108 ) CH2 <> 95 ALA ( 95 ) CB D= 4.01 H-ene= -- Sym= (S-S) 2470 108 TRP ( 108 ) CZ2 <> 98 ILE ( 98 ) CG2 D= 4.03 H-ene= -- Sym= (S-S) 2471 108 TRP ( 108 ) CZ2 <> 98 ILE ( 98 ) CD1 D= 4.07 H-ene= -- Sym= (S-S) 2472 108 TRP ( 108 ) CZ3 <> 98 ILE ( 98 ) CG2 D= 4.07 H-ene= -- Sym= (S-S) 2473 108 TRP ( 108 ) CH2 <> 98 ILE ( 98 ) CB D= 3.86 H-ene= -- Sym= (S-S) 2474 108 TRP ( 108 ) CH2 <> 98 ILE ( 98 ) CG2 D= 3.70 H-ene= -- Sym= (S-S) 2475 108 TRP ( 108 ) N <> 105 MET ( 105 ) C D= 3.79 H-ene= -- Sym= (B-B) 2476 108 TRP ( 108 ) N <> 105 MET ( 105 ) O D= 2.95 H-ene= 0.67 Sym= (B-B) 2477 108 TRP ( 108 ) CA <> 105 MET ( 105 ) O D= 3.68 H-ene= -- Sym= (B-B) 2478 108 TRP ( 108 ) CB <> 105 MET ( 105 ) O D= 3.63 H-ene= -- Sym= (S-B) 2479 108 TRP ( 108 ) CE3 <> 105 MET ( 105 ) CA D= 3.79 H-ene= -- Sym= (S-B) 2480 108 TRP ( 108 ) CE3 <> 105 MET ( 105 ) C D= 4.05 H-ene= -- Sym= (S-B) 2481 108 TRP ( 108 ) CE3 <> 105 MET ( 105 ) O D= 3.66 H-ene= -- Sym= (S-B) 2482 108 TRP ( 108 ) N <> 106 ASN ( 106 ) C D= 3.03 H-ene= -- Sym= (B-B) 2483 108 TRP ( 108 ) N <> 106 ASN ( 106 ) O D= 3.15 H-ene= -- Sym= (B-B) 2484 108 TRP ( 108 ) C <> 110 ALA ( 110 ) N D= 3.28 H-ene= -- Sym= (B-B) 2485 108 TRP ( 108 ) O <> 110 ALA ( 110 ) N D= 3.30 H-ene= -- Sym= (B-B) 2486 108 TRP ( 108 ) C <> 111 TRP ( 111 ) N D= 3.78 H-ene= -- Sym= (B-B) 2487 108 TRP ( 108 ) O <> 111 TRP ( 111 ) N D= 3.04 H-ene= 0.12 Sym= (B-B) 2488 108 TRP ( 108 ) O <> 111 TRP ( 111 ) CA D= 3.56 H-ene= -- Sym= (B-B) 2489 108 TRP ( 108 ) O <> 111 TRP ( 111 ) CB D= 3.38 H-ene= -- Sym= (B-S) 2490 108 TRP ( 108 ) CB <> 111 TRP ( 111 ) CB D= 3.86 H-ene= -- Sym= (S-S) 2491 108 TRP ( 108 ) O <> 112 ARG ( 112 ) N D= 3.01 H-ene= 0.77 Sym= (B-B) 2492 108 TRP ( 108 ) CA <> 133 HOH (HOH ) 158 D= 3.47 H-ene= -- Sym= (B-W) 2493 108 TRP ( 108 ) C <> 133 HOH (HOH ) 158 D= 3.64 H-ene= -- Sym= (B-W) 2494 108 TRP ( 108 ) CD1 <> 133 HOH (HOH ) 153 D= 3.37 H-ene= -- Sym= (S-W) 2495 108 TRP ( 108 ) NE1 <> 133 HOH (HOH ) 153 D= 3.31 H-ene= -- Sym= (S-W) 2496 108 TRP ( 108 ) CE2 <> 133 HOH (HOH ) 153 D= 3.59 H-ene= -- Sym= (S-W) 2497 109 VAL ( 109 ) N <> 107 ALA ( 107 ) C D= 3.78 H-ene= -- Sym= (B-B) 2498 109 VAL ( 109 ) C <> 111 TRP ( 111 ) N D= 3.22 H-ene= -- Sym= (B-B) 2499 109 VAL ( 109 ) O <> 111 TRP ( 111 ) N D= 3.34 H-ene= -- Sym= (B-B) 2500 109 VAL ( 109 ) CA <> 112 ARG ( 112 ) NH2 D= 3.74 H-ene= -- Sym= (B-S) 2501 109 VAL ( 109 ) C <> 112 ARG ( 112 ) N D= 3.79 H-ene= -- Sym= (B-B) 2502 109 VAL ( 109 ) O <> 112 ARG ( 112 ) N D= 3.22 H-ene= -- Sym= (B-B) 2503 109 VAL ( 109 ) O <> 112 ARG ( 112 ) CA D= 3.67 H-ene= -- Sym= (B-B) 2504 109 VAL ( 109 ) O <> 112 ARG ( 112 ) CB D= 3.56 H-ene= -- Sym= (B-S) 2505 109 VAL ( 109 ) CG2 <> 112 ARG ( 112 ) NH2 D= 3.51 H-ene= -- Sym= (S-S) 2506 109 VAL ( 109 ) O <> 113 ASN ( 113 ) N D= 2.88 H-ene= 0.64 Sym= (B-B) 2507 109 VAL ( 109 ) O <> 113 ASN ( 113 ) CB D= 3.50 H-ene= -- Sym= (B-S) 2508 109 VAL ( 109 ) O <> 113 ASN ( 113 ) CG D= 3.56 H-ene= -- Sym= (B-S) 2509 109 VAL ( 109 ) O <> 113 ASN ( 113 ) ND2 D= 3.45 H-ene= -- Sym= (B-S) 2510 109 VAL ( 109 ) CG1 <> 113 ASN ( 113 ) ND2 D= 3.32 H-ene= -- Sym= (S-S) 2511 109 VAL ( 109 ) N <> 133 HOH (HOH ) 158 D= 2.85 H-ene= 0.93 Sym= (B-W) 2512 109 VAL ( 109 ) CB <> 133 HOH (HOH ) 158 D= 3.62 H-ene= -- Sym= (S-W) 2513 109 VAL ( 109 ) CG2 <> 133 HOH (HOH ) 158 D= 3.25 H-ene= -- Sym= (S-W) 2514 110 ALA ( 110 ) CB <> 34 PHE ( 34 ) C D= 3.99 H-ene= -- Sym= (S-B) 2515 110 ALA ( 110 ) CB <> 34 PHE ( 34 ) CB D= 3.78 H-ene= -- Sym= (S-S) 2516 110 ALA ( 110 ) N <> 35 GLU ( 35 ) OE2 D= 3.19 H-ene= 0.51 Sym= (B-S) 2517 110 ALA ( 110 ) CB <> 35 GLU ( 35 ) CG D= 4.07 H-ene= -- Sym= (S-S) 2518 110 ALA ( 110 ) CB <> 35 GLU ( 35 ) CD D= 3.71 H-ene= -- Sym= (S-S) 2519 110 ALA ( 110 ) CB <> 35 GLU ( 35 ) OE2 D= 3.36 H-ene= -- Sym= (S-S) 2520 110 ALA ( 110 ) N <> 108 TRP ( 108 ) C D= 3.28 H-ene= -- Sym= (B-B) 2521 110 ALA ( 110 ) N <> 108 TRP ( 108 ) O D= 3.30 H-ene= -- Sym= (B-B) 2522 110 ALA ( 110 ) C <> 112 ARG ( 112 ) N D= 3.32 H-ene= -- Sym= (B-B) 2523 110 ALA ( 110 ) O <> 112 ARG ( 112 ) N D= 3.57 H-ene= -- Sym= (B-B) 2524 110 ALA ( 110 ) C <> 113 ASN ( 113 ) N D= 3.84 H-ene= -- Sym= (B-B) 2525 110 ALA ( 110 ) O <> 113 ASN ( 113 ) N D= 3.52 H-ene= -- Sym= (B-B) 2526 110 ALA ( 110 ) C <> 114 ARG ( 114 ) N D= 3.86 H-ene= -- Sym= (B-B) 2527 110 ALA ( 110 ) O <> 114 ARG ( 114 ) N D= 2.77 H-ene= 0.49 Sym= (B-B) 2528 110 ALA ( 110 ) O <> 114 ARG ( 114 ) CA D= 3.38 H-ene= -- Sym= (B-B) 2529 110 ALA ( 110 ) O <> 114 ARG ( 114 ) CB D= 3.19 H-ene= -- Sym= (B-S) 2530 110 ALA ( 110 ) O <> 114 ARG ( 114 ) CG D= 3.54 H-ene= -- Sym= (B-S) 2531 110 ALA ( 110 ) CB <> 133 HOH (HOH ) 200 D= 3.56 H-ene= -- Sym= (S-W) 2532 111 TRP ( 111 ) CZ2 <> 23 TYR ( 23 ) CE1 D= 3.80 H-ene= -- Sym= (S-S) 2533 111 TRP ( 111 ) CH2 <> 23 TYR ( 23 ) CE1 D= 3.90 H-ene= -- Sym= (S-S) 2534 111 TRP ( 111 ) CD1 <> 27 ASN ( 27 ) O D= 3.69 H-ene= -- Sym= (S-B) 2535 111 TRP ( 111 ) NE1 <> 27 ASN ( 27 ) CB D= 3.75 H-ene= -- Sym= (S-S) 2536 111 TRP ( 111 ) NE1 <> 27 ASN ( 27 ) CG D= 3.70 H-ene= -- Sym= (S-S) 2537 111 TRP ( 111 ) NE1 <> 27 ASN ( 27 ) OD1 D= 2.92 H-ene= 0.75 Sym= (S-S) 2538 111 TRP ( 111 ) CE2 <> 27 ASN ( 27 ) OD1 D= 3.63 H-ene= -- Sym= (S-S) 2539 111 TRP ( 111 ) CZ2 <> 27 ASN ( 27 ) OD1 D= 3.68 H-ene= -- Sym= (S-S) 2540 111 TRP ( 111 ) CG <> 105 MET ( 105 ) CB D= 4.08 H-ene= -- Sym= (S-S) 2541 111 TRP ( 111 ) CG <> 105 MET ( 105 ) CE D= 3.97 H-ene= -- Sym= (S-S) 2542 111 TRP ( 111 ) CD1 <> 105 MET ( 105 ) SD D= 4.19 H-ene= -- Sym= (S-S) 2543 111 TRP ( 111 ) CD1 <> 105 MET ( 105 ) CE D= 3.72 H-ene= -- Sym= (S-S) 2544 111 TRP ( 111 ) CD2 <> 105 MET ( 105 ) CB D= 3.52 H-ene= -- Sym= (S-S) 2545 111 TRP ( 111 ) NE1 <> 105 MET ( 105 ) SD D= 3.99 H-ene= -- Sym= (S-S) 2546 111 TRP ( 111 ) CE2 <> 105 MET ( 105 ) CB D= 3.79 H-ene= -- Sym= (S-S) 2547 111 TRP ( 111 ) CE2 <> 105 MET ( 105 ) SD D= 4.19 H-ene= -- Sym= (S-S) 2548 111 TRP ( 111 ) CE3 <> 105 MET ( 105 ) CA D= 3.99 H-ene= -- Sym= (S-B) 2549 111 TRP ( 111 ) CE3 <> 105 MET ( 105 ) C D= 3.31 H-ene= -- Sym= (S-B) 2550 111 TRP ( 111 ) CE3 <> 105 MET ( 105 ) O D= 3.12 H-ene= -- Sym= (S-B) 2551 111 TRP ( 111 ) CE3 <> 105 MET ( 105 ) CB D= 3.51 H-ene= -- Sym= (S-S) 2552 111 TRP ( 111 ) CZ2 <> 105 MET ( 105 ) CB D= 4.06 H-ene= -- Sym= (S-S) 2553 111 TRP ( 111 ) CZ3 <> 105 MET ( 105 ) C D= 3.65 H-ene= -- Sym= (S-B) 2554 111 TRP ( 111 ) CZ3 <> 105 MET ( 105 ) CB D= 3.77 H-ene= -- Sym= (S-S) 2555 111 TRP ( 111 ) CH2 <> 105 MET ( 105 ) CB D= 4.03 H-ene= -- Sym= (S-S) 2556 111 TRP ( 111 ) CE3 <> 106 ASN ( 106 ) N D= 3.69 H-ene= -- Sym= (S-B) 2557 111 TRP ( 111 ) CE3 <> 106 ASN ( 106 ) CA D= 3.95 H-ene= -- Sym= (S-B) 2558 111 TRP ( 111 ) CZ3 <> 106 ASN ( 106 ) N D= 3.65 H-ene= -- Sym= (S-B) 2559 111 TRP ( 111 ) CZ3 <> 106 ASN ( 106 ) CA D= 4.00 H-ene= -- Sym= (S-B) 2560 111 TRP ( 111 ) CZ3 <> 106 ASN ( 106 ) CG D= 3.82 H-ene= -- Sym= (S-S) 2561 111 TRP ( 111 ) CZ3 <> 106 ASN ( 106 ) OD1 D= 3.33 H-ene= -- Sym= (S-S) 2562 111 TRP ( 111 ) N <> 108 TRP ( 108 ) C D= 3.78 H-ene= -- Sym= (B-B) 2563 111 TRP ( 111 ) N <> 108 TRP ( 108 ) O D= 3.04 H-ene= 0.12 Sym= (B-B) 2564 111 TRP ( 111 ) CA <> 108 TRP ( 108 ) O D= 3.56 H-ene= -- Sym= (B-B) 2565 111 TRP ( 111 ) CB <> 108 TRP ( 108 ) O D= 3.38 H-ene= -- Sym= (S-B) 2566 111 TRP ( 111 ) CB <> 108 TRP ( 108 ) CB D= 3.86 H-ene= -- Sym= (S-S) 2567 111 TRP ( 111 ) N <> 109 VAL ( 109 ) C D= 3.22 H-ene= -- Sym= (B-B) 2568 111 TRP ( 111 ) N <> 109 VAL ( 109 ) O D= 3.34 H-ene= -- Sym= (B-B) 2569 111 TRP ( 111 ) C <> 113 ASN ( 113 ) N D= 3.28 H-ene= -- Sym= (B-B) 2570 111 TRP ( 111 ) O <> 113 ASN ( 113 ) N D= 3.39 H-ene= -- Sym= (B-B) 2571 111 TRP ( 111 ) C <> 114 ARG ( 114 ) N D= 3.97 H-ene= -- Sym= (B-B) 2572 111 TRP ( 111 ) O <> 114 ARG ( 114 ) N D= 3.53 H-ene= -- Sym= (B-B) 2573 111 TRP ( 111 ) CA <> 115 CYS ( 115 ) CB D= 3.91 H-ene= -- Sym= (B-S) 2574 111 TRP ( 111 ) CA <> 115 CYS ( 115 ) SG D= 3.93 H-ene= -- Sym= (B-S) 2575 111 TRP ( 111 ) C <> 115 CYS ( 115 ) N D= 3.78 H-ene= -- Sym= (B-B) 2576 111 TRP ( 111 ) C <> 115 CYS ( 115 ) CB D= 4.06 H-ene= -- Sym= (B-S) 2577 111 TRP ( 111 ) O <> 115 CYS ( 115 ) N D= 2.84 H-ene= 0.59 Sym= (B-B) 2578 111 TRP ( 111 ) O <> 115 CYS ( 115 ) CA D= 3.37 H-ene= -- Sym= (B-B) 2579 111 TRP ( 111 ) O <> 115 CYS ( 115 ) C D= 3.52 H-ene= -- Sym= (B-B) 2580 111 TRP ( 111 ) O <> 115 CYS ( 115 ) CB D= 3.35 H-ene= -- Sym= (B-S) 2581 111 TRP ( 111 ) CG <> 115 CYS ( 115 ) CB D= 3.94 H-ene= -- Sym= (S-S) 2582 111 TRP ( 111 ) CD1 <> 115 CYS ( 115 ) CB D= 3.25 H-ene= -- Sym= (S-S) 2583 111 TRP ( 111 ) CD1 <> 115 CYS ( 115 ) SG D= 4.00 H-ene= -- Sym= (S-S) 2584 111 TRP ( 111 ) NE1 <> 115 CYS ( 115 ) CB D= 3.65 H-ene= -- Sym= (S-S) 2585 111 TRP ( 111 ) C <> 116 LYS ( 116 ) N D= 3.93 H-ene= -- Sym= (B-B) 2586 111 TRP ( 111 ) O <> 116 LYS ( 116 ) N D= 2.74 H-ene= 0.67 Sym= (B-B) 2587 111 TRP ( 111 ) O <> 116 LYS ( 116 ) CB D= 3.55 H-ene= -- Sym= (B-S) 2588 111 TRP ( 111 ) CZ2 <> 116 LYS ( 116 ) CA D= 4.04 H-ene= -- Sym= (S-B) 2589 111 TRP ( 111 ) CZ2 <> 116 LYS ( 116 ) CB D= 4.05 H-ene= -- Sym= (S-S) 2590 111 TRP ( 111 ) CZ2 <> 116 LYS ( 116 ) CG D= 4.09 H-ene= -- Sym= (S-S) 2591 111 TRP ( 111 ) CZ3 <> 116 LYS ( 116 ) CB D= 4.03 H-ene= -- Sym= (S-S) 2592 111 TRP ( 111 ) CZ3 <> 116 LYS ( 116 ) CG D= 3.94 H-ene= -- Sym= (S-S) 2593 111 TRP ( 111 ) CZ3 <> 116 LYS ( 116 ) CD D= 3.78 H-ene= -- Sym= (S-S) 2594 111 TRP ( 111 ) CH2 <> 116 LYS ( 116 ) CB D= 3.91 H-ene= -- Sym= (S-S) 2595 111 TRP ( 111 ) CH2 <> 116 LYS ( 116 ) CG D= 3.62 H-ene= -- Sym= (S-S) 2596 111 TRP ( 111 ) CH2 <> 116 LYS ( 116 ) CD D= 3.90 H-ene= -- Sym= (S-S) 2597 111 TRP ( 111 ) CZ2 <> 133 HOH (HOH ) 159 D= 3.62 H-ene= -- Sym= (S-W) 2598 112 ARG ( 112 ) CG <> 106 ASN ( 106 ) OD1 D= 3.48 H-ene= -- Sym= (S-S) 2599 112 ARG ( 112 ) NE <> 106 ASN ( 106 ) O D= 3.28 H-ene= 0.59 Sym= (S-B) 2600 112 ARG ( 112 ) CZ <> 106 ASN ( 106 ) O D= 3.52 H-ene= -- Sym= (S-B) 2601 112 ARG ( 112 ) NH2 <> 106 ASN ( 106 ) O D= 2.89 H-ene= 0.63 Sym= (S-B) 2602 112 ARG ( 112 ) N <> 108 TRP ( 108 ) O D= 3.01 H-ene= 0.77 Sym= (B-B) 2603 112 ARG ( 112 ) N <> 109 VAL ( 109 ) C D= 3.79 H-ene= -- Sym= (B-B) 2604 112 ARG ( 112 ) N <> 109 VAL ( 109 ) O D= 3.22 H-ene= -- Sym= (B-B) 2605 112 ARG ( 112 ) CA <> 109 VAL ( 109 ) O D= 3.67 H-ene= -- Sym= (B-B) 2606 112 ARG ( 112 ) CB <> 109 VAL ( 109 ) O D= 3.56 H-ene= -- Sym= (S-B) 2607 112 ARG ( 112 ) NH2 <> 109 VAL ( 109 ) CA D= 3.74 H-ene= -- Sym= (S-B) 2608 112 ARG ( 112 ) NH2 <> 109 VAL ( 109 ) CG2 D= 3.51 H-ene= -- Sym= (S-S) 2609 112 ARG ( 112 ) N <> 110 ALA ( 110 ) C D= 3.32 H-ene= -- Sym= (B-B) 2610 112 ARG ( 112 ) N <> 110 ALA ( 110 ) O D= 3.57 H-ene= -- Sym= (B-B) 2611 112 ARG ( 112 ) C <> 114 ARG ( 114 ) N D= 3.50 H-ene= -- Sym= (B-B) 2612 112 ARG ( 112 ) CA <> 116 LYS ( 116 ) CB D= 3.99 H-ene= -- Sym= (B-S) 2613 112 ARG ( 112 ) C <> 116 LYS ( 116 ) CB D= 4.07 H-ene= -- Sym= (B-S) 2614 112 ARG ( 112 ) O <> 116 LYS ( 116 ) CB D= 3.44 H-ene= -- Sym= (B-S) 2615 112 ARG ( 112 ) O <> 133 HOH (HOH ) 217 D= 2.85 H-ene= 0.64 Sym= (B-W) 2616 113 ASN ( 113 ) N <> 109 VAL ( 109 ) O D= 2.88 H-ene= 0.64 Sym= (B-B) 2617 113 ASN ( 113 ) CB <> 109 VAL ( 109 ) O D= 3.50 H-ene= -- Sym= (S-B) 2618 113 ASN ( 113 ) CG <> 109 VAL ( 109 ) O D= 3.56 H-ene= -- Sym= (S-B) 2619 113 ASN ( 113 ) ND2 <> 109 VAL ( 109 ) O D= 3.45 H-ene= -- Sym= (S-B) 2620 113 ASN ( 113 ) ND2 <> 109 VAL ( 109 ) CG1 D= 3.32 H-ene= -- Sym= (S-S) 2621 113 ASN ( 113 ) N <> 110 ALA ( 110 ) C D= 3.84 H-ene= -- Sym= (B-B) 2622 113 ASN ( 113 ) N <> 110 ALA ( 110 ) O D= 3.52 H-ene= -- Sym= (B-B) 2623 113 ASN ( 113 ) N <> 111 TRP ( 111 ) C D= 3.28 H-ene= -- Sym= (B-B) 2624 113 ASN ( 113 ) N <> 111 TRP ( 111 ) O D= 3.39 H-ene= -- Sym= (B-B) 2625 113 ASN ( 113 ) C <> 115 CYS ( 115 ) N D= 3.94 H-ene= -- Sym= (B-B) 2626 113 ASN ( 113 ) C <> 133 HOH (HOH ) 136 D= 3.38 H-ene= -- Sym= (B-W) 2627 113 ASN ( 113 ) O <> 133 HOH (HOH ) 136 D= 3.16 H-ene= -- Sym= (B-W) 2628 113 ASN ( 113 ) OD1 <> 133 HOH (HOH ) 201 D= 3.19 H-ene= 0.76 Sym= (S-W) 2629 114 ARG ( 114 ) CB <> 34 PHE ( 34 ) CD2 D= 3.73 H-ene= -- Sym= (S-S) 2630 114 ARG ( 114 ) CD <> 34 PHE ( 34 ) CB D= 4.09 H-ene= -- Sym= (S-S) 2631 114 ARG ( 114 ) CD <> 34 PHE ( 34 ) CG D= 3.99 H-ene= -- Sym= (S-S) 2632 114 ARG ( 114 ) NE <> 34 PHE ( 34 ) CG D= 3.78 H-ene= -- Sym= (S-S) 2633 114 ARG ( 114 ) NE <> 34 PHE ( 34 ) CD1 D= 3.65 H-ene= -- Sym= (S-S) 2634 114 ARG ( 114 ) NE <> 34 PHE ( 34 ) CE1 D= 4.00 H-ene= -- Sym= (S-S) 2635 114 ARG ( 114 ) CZ <> 34 PHE ( 34 ) CG D= 3.84 H-ene= -- Sym= (S-S) 2636 114 ARG ( 114 ) CZ <> 34 PHE ( 34 ) CD1 D= 3.30 H-ene= -- Sym= (S-S) 2637 114 ARG ( 114 ) CZ <> 34 PHE ( 34 ) CE1 D= 3.71 H-ene= -- Sym= (S-S) 2638 114 ARG ( 114 ) NH1 <> 34 PHE ( 34 ) CD1 D= 3.59 H-ene= -- Sym= (S-S) 2639 114 ARG ( 114 ) NH2 <> 34 PHE ( 34 ) CD1 D= 3.42 H-ene= -- Sym= (S-S) 2640 114 ARG ( 114 ) NH2 <> 34 PHE ( 34 ) CE1 D= 3.39 H-ene= -- Sym= (S-S) 2641 114 ARG ( 114 ) N <> 110 ALA ( 110 ) C D= 3.86 H-ene= -- Sym= (B-B) 2642 114 ARG ( 114 ) N <> 110 ALA ( 110 ) O D= 2.77 H-ene= 0.49 Sym= (B-B) 2643 114 ARG ( 114 ) CA <> 110 ALA ( 110 ) O D= 3.38 H-ene= -- Sym= (B-B) 2644 114 ARG ( 114 ) CB <> 110 ALA ( 110 ) O D= 3.19 H-ene= -- Sym= (S-B) 2645 114 ARG ( 114 ) CG <> 110 ALA ( 110 ) O D= 3.54 H-ene= -- Sym= (S-B) 2646 114 ARG ( 114 ) N <> 111 TRP ( 111 ) C D= 3.97 H-ene= -- Sym= (B-B) 2647 114 ARG ( 114 ) N <> 111 TRP ( 111 ) O D= 3.53 H-ene= -- Sym= (B-B) 2648 114 ARG ( 114 ) N <> 112 ARG ( 112 ) C D= 3.50 H-ene= -- Sym= (B-B) 2649 114 ARG ( 114 ) C <> 116 LYS ( 116 ) N D= 3.96 H-ene= -- Sym= (B-B) 2650 114 ARG ( 114 ) O <> 118 THR ( 118 ) CG2 D= 3.63 H-ene= -- Sym= (B-S) 2651 114 ARG ( 114 ) N <> 133 HOH (HOH ) 136 D= 3.59 H-ene= -- Sym= (B-W) 2652 114 ARG ( 114 ) C <> 133 HOH (HOH ) 136 D= 3.69 H-ene= -- Sym= (B-W) 2653 114 ARG ( 114 ) O <> 133 HOH (HOH ) 154 D= 2.82 H-ene= 0.90 Sym= (B-W) 2654 114 ARG ( 114 ) CB <> 133 HOH (HOH ) 161 D= 3.64 H-ene= -- Sym= (S-W) 2655 114 ARG ( 114 ) NE <> 133 HOH (HOH ) 161 D= 2.97 H-ene= 0.94 Sym= (S-W) 2656 114 ARG ( 114 ) CZ <> 133 HOH (HOH ) 147 D= 3.59 H-ene= -- Sym= (S-W) 2657 114 ARG ( 114 ) NH1 <> 133 HOH (HOH ) 147 D= 3.47 H-ene= 0.38 Sym= (S-W) 2658 114 ARG ( 114 ) NH2 <> 133 HOH (HOH ) 147 D= 2.84 H-ene= 0.87 Sym= (S-W) 2659 114 ARG ( 114 ) NH2 <> 133 HOH (HOH ) 161 D= 3.57 H-ene= 0.38 Sym= (S-W) 2660 115 CYS ( 115 ) CA <> 30 CYS ( 30 ) SG D= 3.59 H-ene= -- Sym= (B-S) 2661 115 CYS ( 115 ) CB <> 30 CYS ( 30 ) CB D= 3.83 H-ene= -- Sym= (S-S) 2662 115 CYS ( 115 ) SG <> 30 CYS ( 30 ) CA D= 3.79 H-ene= -- Sym= (S-B) 2663 115 CYS ( 115 ) SG <> 30 CYS ( 30 ) C D= 3.38 H-ene= -- Sym= (S-B) 2664 115 CYS ( 115 ) SG <> 30 CYS ( 30 ) O D= 3.51 H-ene= -- Sym= (S-B) 2665 115 CYS ( 115 ) SG <> 31 ALA ( 31 ) N D= 3.67 H-ene= -- Sym= (S-B) 2666 115 CYS ( 115 ) SG <> 31 ALA ( 31 ) CA D= 4.14 H-ene= -- Sym= (S-B) 2667 115 CYS ( 115 ) SG <> 34 PHE ( 34 ) CD2 D= 3.80 H-ene= -- Sym= (S-S) 2668 115 CYS ( 115 ) SG <> 34 PHE ( 34 ) CE2 D= 4.30 H-ene= -- Sym= (S-S) 2669 115 CYS ( 115 ) N <> 111 TRP ( 111 ) C D= 3.78 H-ene= -- Sym= (B-B) 2670 115 CYS ( 115 ) N <> 111 TRP ( 111 ) O D= 2.84 H-ene= 0.59 Sym= (B-B) 2671 115 CYS ( 115 ) CA <> 111 TRP ( 111 ) O D= 3.37 H-ene= -- Sym= (B-B) 2672 115 CYS ( 115 ) C <> 111 TRP ( 111 ) O D= 3.52 H-ene= -- Sym= (B-B) 2673 115 CYS ( 115 ) CB <> 111 TRP ( 111 ) CA D= 3.91 H-ene= -- Sym= (S-B) 2674 115 CYS ( 115 ) CB <> 111 TRP ( 111 ) C D= 4.06 H-ene= -- Sym= (S-B) 2675 115 CYS ( 115 ) CB <> 111 TRP ( 111 ) O D= 3.35 H-ene= -- Sym= (S-B) 2676 115 CYS ( 115 ) CB <> 111 TRP ( 111 ) CG D= 3.94 H-ene= -- Sym= (S-S) 2677 115 CYS ( 115 ) CB <> 111 TRP ( 111 ) CD1 D= 3.25 H-ene= -- Sym= (S-S) 2678 115 CYS ( 115 ) CB <> 111 TRP ( 111 ) NE1 D= 3.65 H-ene= -- Sym= (S-S) 2679 115 CYS ( 115 ) SG <> 111 TRP ( 111 ) CA D= 3.93 H-ene= -- Sym= (S-B) 2680 115 CYS ( 115 ) SG <> 111 TRP ( 111 ) CD1 D= 4.00 H-ene= -- Sym= (S-S) 2681 115 CYS ( 115 ) N <> 113 ASN ( 113 ) C D= 3.94 H-ene= -- Sym= (B-B) 2682 115 CYS ( 115 ) C <> 117 GLY ( 117 ) N D= 3.73 H-ene= -- Sym= (B-B) 2683 115 CYS ( 115 ) O <> 117 GLY ( 117 ) N D= 3.21 H-ene= -- Sym= (B-B) 2684 115 CYS ( 115 ) CA <> 118 THR ( 118 ) OG1 D= 3.63 H-ene= -- Sym= (B-S) 2685 115 CYS ( 115 ) C <> 118 THR ( 118 ) N D= 3.97 H-ene= -- Sym= (B-B) 2686 115 CYS ( 115 ) C <> 118 THR ( 118 ) OG1 D= 3.44 H-ene= -- Sym= (B-S) 2687 115 CYS ( 115 ) C <> 118 THR ( 118 ) CG2 D= 3.83 H-ene= -- Sym= (B-S) 2688 115 CYS ( 115 ) O <> 118 THR ( 118 ) N D= 2.95 H-ene= 0.62 Sym= (B-B) 2689 115 CYS ( 115 ) O <> 118 THR ( 118 ) CA D= 3.63 H-ene= -- Sym= (B-B) 2690 115 CYS ( 115 ) O <> 118 THR ( 118 ) CB D= 3.33 H-ene= -- Sym= (B-S) 2691 115 CYS ( 115 ) O <> 118 THR ( 118 ) OG1 D= 2.61 H-ene= 0.71 Sym= (B-S) 2692 115 CYS ( 115 ) O <> 118 THR ( 118 ) CG2 D= 3.39 H-ene= -- Sym= (B-S) 2693 115 CYS ( 115 ) O <> 120 VAL ( 120 ) CG1 D= 3.46 H-ene= -- Sym= (B-S) 2694 116 LYS ( 116 ) CD <> 106 ASN ( 106 ) OD1 D= 3.67 H-ene= -- Sym= (S-S) 2695 116 LYS ( 116 ) CE <> 106 ASN ( 106 ) OD1 D= 3.58 H-ene= -- Sym= (S-S) 2696 116 LYS ( 116 ) NZ <> 106 ASN ( 106 ) CG D= 3.65 H-ene= -- Sym= (S-S) 2697 116 LYS ( 116 ) NZ <> 106 ASN ( 106 ) OD1 D= 2.83 H-ene= 0.71 Sym= (S-S) 2698 116 LYS ( 116 ) NZ <> 106 ASN ( 106 ) ND2 D= 3.76 H-ene= -- Sym= (S-S) 2699 116 LYS ( 116 ) N <> 111 TRP ( 111 ) C D= 3.93 H-ene= -- Sym= (B-B) 2700 116 LYS ( 116 ) N <> 111 TRP ( 111 ) O D= 2.74 H-ene= 0.67 Sym= (B-B) 2701 116 LYS ( 116 ) CA <> 111 TRP ( 111 ) CZ2 D= 4.04 H-ene= -- Sym= (B-S) 2702 116 LYS ( 116 ) CB <> 111 TRP ( 111 ) O D= 3.55 H-ene= -- Sym= (S-B) 2703 116 LYS ( 116 ) CB <> 111 TRP ( 111 ) CZ2 D= 4.05 H-ene= -- Sym= (S-S) 2704 116 LYS ( 116 ) CB <> 111 TRP ( 111 ) CZ3 D= 4.03 H-ene= -- Sym= (S-S) 2705 116 LYS ( 116 ) CB <> 111 TRP ( 111 ) CH2 D= 3.91 H-ene= -- Sym= (S-S) 2706 116 LYS ( 116 ) CG <> 111 TRP ( 111 ) CZ2 D= 4.09 H-ene= -- Sym= (S-S) 2707 116 LYS ( 116 ) CG <> 111 TRP ( 111 ) CZ3 D= 3.94 H-ene= -- Sym= (S-S) 2708 116 LYS ( 116 ) CG <> 111 TRP ( 111 ) CH2 D= 3.62 H-ene= -- Sym= (S-S) 2709 116 LYS ( 116 ) CD <> 111 TRP ( 111 ) CZ3 D= 3.78 H-ene= -- Sym= (S-S) 2710 116 LYS ( 116 ) CD <> 111 TRP ( 111 ) CH2 D= 3.90 H-ene= -- Sym= (S-S) 2711 116 LYS ( 116 ) CB <> 112 ARG ( 112 ) CA D= 3.99 H-ene= -- Sym= (S-B) 2712 116 LYS ( 116 ) CB <> 112 ARG ( 112 ) C D= 4.07 H-ene= -- Sym= (S-B) 2713 116 LYS ( 116 ) CB <> 112 ARG ( 112 ) O D= 3.44 H-ene= -- Sym= (S-B) 2714 116 LYS ( 116 ) N <> 114 ARG ( 114 ) C D= 3.96 H-ene= -- Sym= (B-B) 2715 116 LYS ( 116 ) C <> 118 THR ( 118 ) N D= 3.22 H-ene= -- Sym= (B-B) 2716 116 LYS ( 116 ) O <> 118 THR ( 118 ) N D= 3.33 H-ene= -- Sym= (B-B) 2717 116 LYS ( 116 ) O <> 133 HOH (HOH ) 136 D= 2.72 H-ene= 0.88 Sym= (B-W) 2718 116 LYS ( 116 ) O <> 133 HOH (HOH ) 196 D= 2.71 H-ene= 0.87 Sym= (B-W) 2719 116 LYS ( 116 ) CD <> 133 HOH (HOH ) 172 D= 3.28 H-ene= -- Sym= (S-W) 2720 116 LYS ( 116 ) CE <> 133 HOH (HOH ) 172 D= 3.18 H-ene= -- Sym= (S-W) 2721 116 LYS ( 116 ) NZ <> 133 HOH (HOH ) 172 D= 2.76 H-ene= 0.65 Sym= (S-W) 2722 116 LYS ( 116 ) NZ <> 133 HOH (HOH ) 211 D= 2.88 H-ene= 0.32 Sym= (S-W) 2723 117 GLY ( 117 ) N <> 115 CYS ( 115 ) C D= 3.73 H-ene= -- Sym= (B-B) 2724 117 GLY ( 117 ) N <> 115 CYS ( 115 ) O D= 3.21 H-ene= -- Sym= (B-B) 2725 117 GLY ( 117 ) N <> 133 HOH (HOH ) 159 D= 3.45 H-ene= 0.65 Sym= (B-W) 2726 117 GLY ( 117 ) N <> 133 HOH (HOH ) 185 D= 3.38 H-ene= 0.19 Sym= (B-W) 2727 117 GLY ( 117 ) CA <> 133 HOH (HOH ) 174 D= 3.37 H-ene= -- Sym= (B-W) 2728 117 GLY ( 117 ) CA <> 133 HOH (HOH ) 185 D= 3.52 H-ene= -- Sym= (B-W) 2729 117 GLY ( 117 ) CA <> 133 HOH (HOH ) 196 D= 3.66 H-ene= -- Sym= (B-W) 2730 117 GLY ( 117 ) C <> 133 HOH (HOH ) 185 D= 3.65 H-ene= -- Sym= (B-W) 2731 117 GLY ( 117 ) C <> 133 HOH (HOH ) 196 D= 3.59 H-ene= -- Sym= (B-W) 2732 118 THR ( 118 ) CG2 <> 114 ARG ( 114 ) O D= 3.63 H-ene= -- Sym= (S-B) 2733 118 THR ( 118 ) N <> 115 CYS ( 115 ) C D= 3.97 H-ene= -- Sym= (B-B) 2734 118 THR ( 118 ) N <> 115 CYS ( 115 ) O D= 2.95 H-ene= 0.62 Sym= (B-B) 2735 118 THR ( 118 ) CA <> 115 CYS ( 115 ) O D= 3.63 H-ene= -- Sym= (B-B) 2736 118 THR ( 118 ) CB <> 115 CYS ( 115 ) O D= 3.33 H-ene= -- Sym= (S-B) 2737 118 THR ( 118 ) OG1 <> 115 CYS ( 115 ) CA D= 3.63 H-ene= -- Sym= (S-B) 2738 118 THR ( 118 ) OG1 <> 115 CYS ( 115 ) C D= 3.44 H-ene= -- Sym= (S-B) 2739 118 THR ( 118 ) OG1 <> 115 CYS ( 115 ) O D= 2.61 H-ene= 0.71 Sym= (S-B) 2740 118 THR ( 118 ) CG2 <> 115 CYS ( 115 ) C D= 3.83 H-ene= -- Sym= (S-B) 2741 118 THR ( 118 ) CG2 <> 115 CYS ( 115 ) O D= 3.39 H-ene= -- Sym= (S-B) 2742 118 THR ( 118 ) N <> 116 LYS ( 116 ) C D= 3.22 H-ene= -- Sym= (B-B) 2743 118 THR ( 118 ) N <> 116 LYS ( 116 ) O D= 3.33 H-ene= -- Sym= (B-B) 2744 118 THR ( 118 ) C <> 120 VAL ( 120 ) N D= 3.21 H-ene= -- Sym= (B-B) 2745 118 THR ( 118 ) O <> 120 VAL ( 120 ) N D= 2.86 H-ene= 0.40 Sym= (B-B) 2746 118 THR ( 118 ) OG1 <> 120 VAL ( 120 ) CG1 D= 3.52 H-ene= -- Sym= (S-S) 2747 118 THR ( 118 ) N <> 133 HOH (HOH ) 185 D= 3.48 H-ene= -- Sym= (B-W) 2748 118 THR ( 118 ) CA <> 133 HOH (HOH ) 203 D= 3.41 H-ene= -- Sym= (B-W) 2749 118 THR ( 118 ) C <> 133 HOH (HOH ) 203 D= 3.63 H-ene= -- Sym= (B-W) 2750 118 THR ( 118 ) O <> 133 HOH (HOH ) 185 D= 2.78 H-ene= 0.84 Sym= (B-W) 2751 118 THR ( 118 ) CB <> 133 HOH (HOH ) 157 D= 3.57 H-ene= -- Sym= (S-W) 2752 118 THR ( 118 ) CB <> 133 HOH (HOH ) 203 D= 3.50 H-ene= -- Sym= (S-W) 2753 118 THR ( 118 ) OG1 <> 133 HOH (HOH ) 157 D= 2.78 H-ene= 0.96 Sym= (S-W) 2754 119 ASP ( 119 ) C <> 121 GLN ( 121 ) N D= 3.21 H-ene= -- Sym= (B-B) 2755 119 ASP ( 119 ) O <> 121 GLN ( 121 ) N D= 3.29 H-ene= -- Sym= (B-B) 2756 119 ASP ( 119 ) O <> 122 ALA ( 122 ) N D= 3.30 H-ene= 0.45 Sym= (B-B) 2757 119 ASP ( 119 ) O <> 122 ALA ( 122 ) CB D= 3.42 H-ene= -- Sym= (B-S) 2758 119 ASP ( 119 ) N <> 133 HOH (HOH ) 203 D= 2.94 H-ene= 0.73 Sym= (B-W) 2759 119 ASP ( 119 ) CA <> 133 HOH (HOH ) 242 D= 3.55 H-ene= -- Sym= (B-W) 2760 119 ASP ( 119 ) C <> 133 HOH (HOH ) 184 D= 3.50 H-ene= -- Sym= (B-W) 2761 119 ASP ( 119 ) C <> 133 HOH (HOH ) 242 D= 3.44 H-ene= -- Sym= (B-W) 2762 119 ASP ( 119 ) O <> 133 HOH (HOH ) 184 D= 2.63 H-ene= 0.68 Sym= (B-W) 2763 119 ASP ( 119 ) OD1 <> 133 HOH (HOH ) 242 D= 2.78 H-ene= 0.81 Sym= (S-W) 2764 120 VAL ( 120 ) C <> 26 GLY ( 26 ) CA D= 4.02 H-ene= -- Sym= (B-B) 2765 120 VAL ( 120 ) O <> 26 GLY ( 26 ) CA D= 3.24 H-ene= -- Sym= (B-B) 2766 120 VAL ( 120 ) CB <> 26 GLY ( 26 ) C D= 3.70 H-ene= -- Sym= (S-B) 2767 120 VAL ( 120 ) CB <> 27 ASN ( 27 ) N D= 3.86 H-ene= -- Sym= (S-B) 2768 120 VAL ( 120 ) CG2 <> 27 ASN ( 27 ) CG D= 3.84 H-ene= -- Sym= (S-S) 2769 120 VAL ( 120 ) CG2 <> 27 ASN ( 27 ) ND2 D= 3.60 H-ene= -- Sym= (S-S) 2770 120 VAL ( 120 ) CG1 <> 115 CYS ( 115 ) O D= 3.46 H-ene= -- Sym= (S-B) 2771 120 VAL ( 120 ) N <> 118 THR ( 118 ) C D= 3.21 H-ene= -- Sym= (B-B) 2772 120 VAL ( 120 ) N <> 118 THR ( 118 ) O D= 2.86 H-ene= 0.40 Sym= (B-B) 2773 120 VAL ( 120 ) CG1 <> 118 THR ( 118 ) OG1 D= 3.52 H-ene= -- Sym= (S-S) 2774 120 VAL ( 120 ) C <> 122 ALA ( 122 ) N D= 3.04 H-ene= -- Sym= (B-B) 2775 120 VAL ( 120 ) O <> 122 ALA ( 122 ) N D= 3.12 H-ene= -- Sym= (B-B) 2776 120 VAL ( 120 ) CA <> 123 TRP ( 123 ) CD1 D= 3.94 H-ene= -- Sym= (B-S) 2777 120 VAL ( 120 ) C <> 123 TRP ( 123 ) N D= 3.84 H-ene= -- Sym= (B-B) 2778 120 VAL ( 120 ) C <> 123 TRP ( 123 ) CD1 D= 4.07 H-ene= -- Sym= (B-S) 2779 120 VAL ( 120 ) O <> 123 TRP ( 123 ) N D= 3.03 H-ene= 0.56 Sym= (B-B) 2780 120 VAL ( 120 ) O <> 123 TRP ( 123 ) CB D= 3.43 H-ene= -- Sym= (B-S) 2781 120 VAL ( 120 ) O <> 123 TRP ( 123 ) CD1 D= 3.47 H-ene= -- Sym= (B-S) 2782 120 VAL ( 120 ) N <> 133 HOH (HOH ) 242 D= 3.08 H-ene= 0.30 Sym= (B-W) 2783 120 VAL ( 120 ) CG2 <> 133 HOH (HOH ) 162 D= 3.45 H-ene= -- Sym= (S-W) 2784 120 VAL ( 120 ) CG2 <> 133 HOH (HOH ) 241 D= 3.62 H-ene= -- Sym= (S-W) 2785 121 GLN ( 121 ) N <> 119 ASP ( 119 ) C D= 3.21 H-ene= -- Sym= (B-B) 2786 121 GLN ( 121 ) N <> 119 ASP ( 119 ) O D= 3.29 H-ene= -- Sym= (B-B) 2787 121 GLN ( 121 ) C <> 123 TRP ( 123 ) N D= 3.07 H-ene= -- Sym= (B-B) 2788 121 GLN ( 121 ) O <> 123 TRP ( 123 ) N D= 3.08 H-ene= -- Sym= (B-B) 2789 121 GLN ( 121 ) C <> 124 ILE ( 124 ) N D= 3.83 H-ene= -- Sym= (B-B) 2790 121 GLN ( 121 ) C <> 124 ILE ( 124 ) CG1 D= 4.02 H-ene= -- Sym= (B-S) 2791 121 GLN ( 121 ) O <> 124 ILE ( 124 ) N D= 2.97 H-ene= 0.61 Sym= (B-B) 2792 121 GLN ( 121 ) O <> 124 ILE ( 124 ) CG1 D= 3.11 H-ene= -- Sym= (B-S) 2793 121 GLN ( 121 ) O <> 125 ARG ( 125 ) N D= 3.23 H-ene= 0.24 Sym= (B-B) 2794 121 GLN ( 121 ) N <> 133 HOH (HOH ) 242 D= 2.90 H-ene= 0.78 Sym= (B-W) 2795 121 GLN ( 121 ) CA <> 133 HOH (HOH ) 143 D= 3.55 H-ene= -- Sym= (B-W) 2796 121 GLN ( 121 ) CA <> 133 HOH (HOH ) 242 D= 3.70 H-ene= -- Sym= (B-W) 2797 121 GLN ( 121 ) CB <> 133 HOH (HOH ) 242 D= 3.31 H-ene= -- Sym= (S-W) 2798 122 ALA ( 122 ) N <> 119 ASP ( 119 ) O D= 3.30 H-ene= 0.45 Sym= (B-B) 2799 122 ALA ( 122 ) CB <> 119 ASP ( 119 ) O D= 3.42 H-ene= -- Sym= (S-B) 2800 122 ALA ( 122 ) N <> 120 VAL ( 120 ) C D= 3.04 H-ene= -- Sym= (B-B) 2801 122 ALA ( 122 ) N <> 120 VAL ( 120 ) O D= 3.12 H-ene= -- Sym= (B-B) 2802 122 ALA ( 122 ) C <> 124 ILE ( 124 ) N D= 3.15 H-ene= -- Sym= (B-B) 2803 122 ALA ( 122 ) O <> 124 ILE ( 124 ) N D= 3.28 H-ene= -- Sym= (B-B) 2804 122 ALA ( 122 ) CA <> 125 ARG ( 125 ) CG D= 3.89 H-ene= -- Sym= (B-S) 2805 122 ALA ( 122 ) C <> 125 ARG ( 125 ) N D= 3.74 H-ene= -- Sym= (B-B) 2806 122 ALA ( 122 ) C <> 125 ARG ( 125 ) CG D= 3.70 H-ene= -- Sym= (B-S) 2807 122 ALA ( 122 ) C <> 125 ARG ( 125 ) NH1 D= 3.86 H-ene= -- Sym= (B-S) 2808 122 ALA ( 122 ) O <> 125 ARG ( 125 ) N D= 3.32 H-ene= 0.14 Sym= (B-B) 2809 122 ALA ( 122 ) O <> 125 ARG ( 125 ) CB D= 3.66 H-ene= -- Sym= (B-S) 2810 122 ALA ( 122 ) O <> 125 ARG ( 125 ) CG D= 2.86 H-ene= -- Sym= (B-S) 2811 122 ALA ( 122 ) O <> 125 ARG ( 125 ) NH1 D= 2.71 H-ene= 0.51 Sym= (B-S) 2812 122 ALA ( 122 ) CB <> 133 HOH (HOH ) 184 D= 3.59 H-ene= -- Sym= (S-W) 2813 123 TRP ( 123 ) C <> 5 ARG ( 5 ) CD D= 4.07 H-ene= -- Sym= (B-S) 2814 123 TRP ( 123 ) C <> 5 ARG ( 5 ) NH1 D= 3.31 H-ene= -- Sym= (B-S) 2815 123 TRP ( 123 ) O <> 5 ARG ( 5 ) CG D= 3.25 H-ene= -- Sym= (B-S) 2816 123 TRP ( 123 ) O <> 5 ARG ( 5 ) CD D= 3.22 H-ene= -- Sym= (B-S) 2817 123 TRP ( 123 ) O <> 5 ARG ( 5 ) NH1 D= 2.72 H-ene= 0.59 Sym= (B-S) 2818 123 TRP ( 123 ) CE3 <> 5 ARG ( 5 ) CD D= 3.93 H-ene= -- Sym= (S-S) 2819 123 TRP ( 123 ) CB <> 29 VAL ( 29 ) CB D= 4.02 H-ene= -- Sym= (S-S) 2820 123 TRP ( 123 ) CB <> 29 VAL ( 29 ) CG1 D= 3.86 H-ene= -- Sym= (S-S) 2821 123 TRP ( 123 ) CG <> 30 CYS ( 30 ) CA D= 4.03 H-ene= -- Sym= (S-B) 2822 123 TRP ( 123 ) CG <> 30 CYS ( 30 ) CB D= 3.91 H-ene= -- Sym= (S-S) 2823 123 TRP ( 123 ) CD1 <> 30 CYS ( 30 ) CA D= 4.01 H-ene= -- Sym= (S-B) 2824 123 TRP ( 123 ) CD1 <> 30 CYS ( 30 ) CB D= 3.39 H-ene= -- Sym= (S-S) 2825 123 TRP ( 123 ) CD1 <> 30 CYS ( 30 ) SG D= 3.87 H-ene= -- Sym= (S-S) 2826 123 TRP ( 123 ) NE1 <> 30 CYS ( 30 ) CB D= 3.48 H-ene= -- Sym= (S-S) 2827 123 TRP ( 123 ) NE1 <> 30 CYS ( 30 ) SG D= 3.32 H-ene= -- Sym= (S-S) 2828 123 TRP ( 123 ) CE2 <> 30 CYS ( 30 ) CB D= 4.03 H-ene= -- Sym= (S-S) 2829 123 TRP ( 123 ) CE2 <> 30 CYS ( 30 ) SG D= 3.91 H-ene= -- Sym= (S-S) 2830 123 TRP ( 123 ) CZ3 <> 33 LYS ( 33 ) CB D= 4.03 H-ene= -- Sym= (S-S) 2831 123 TRP ( 123 ) CZ3 <> 33 LYS ( 33 ) CG D= 3.73 H-ene= -- Sym= (S-S) 2832 123 TRP ( 123 ) CH2 <> 33 LYS ( 33 ) CG D= 3.55 H-ene= -- Sym= (S-S) 2833 123 TRP ( 123 ) CZ2 <> 34 PHE ( 34 ) CE2 D= 3.75 H-ene= -- Sym= (S-S) 2834 123 TRP ( 123 ) CZ2 <> 34 PHE ( 34 ) CZ D= 3.73 H-ene= -- Sym= (S-S) 2835 123 TRP ( 123 ) CH2 <> 34 PHE ( 34 ) CZ D= 4.06 H-ene= -- Sym= (S-S) 2836 123 TRP ( 123 ) N <> 120 VAL ( 120 ) C D= 3.84 H-ene= -- Sym= (B-B) 2837 123 TRP ( 123 ) N <> 120 VAL ( 120 ) O D= 3.03 H-ene= 0.56 Sym= (B-B) 2838 123 TRP ( 123 ) CB <> 120 VAL ( 120 ) O D= 3.43 H-ene= -- Sym= (S-B) 2839 123 TRP ( 123 ) CD1 <> 120 VAL ( 120 ) CA D= 3.94 H-ene= -- Sym= (S-B) 2840 123 TRP ( 123 ) CD1 <> 120 VAL ( 120 ) C D= 4.07 H-ene= -- Sym= (S-B) 2841 123 TRP ( 123 ) CD1 <> 120 VAL ( 120 ) O D= 3.47 H-ene= -- Sym= (S-B) 2842 123 TRP ( 123 ) N <> 121 GLN ( 121 ) C D= 3.07 H-ene= -- Sym= (B-B) 2843 123 TRP ( 123 ) N <> 121 GLN ( 121 ) O D= 3.08 H-ene= -- Sym= (B-B) 2844 123 TRP ( 123 ) C <> 125 ARG ( 125 ) N D= 3.53 H-ene= -- Sym= (B-B) 2845 123 TRP ( 123 ) CD1 <> 133 HOH (HOH ) 157 D= 3.59 H-ene= -- Sym= (S-W) 2846 123 TRP ( 123 ) NE1 <> 133 HOH (HOH ) 157 D= 2.83 H-ene= 0.73 Sym= (S-W) 2847 124 ILE ( 124 ) N <> 5 ARG ( 5 ) NH1 D= 3.75 H-ene= -- Sym= (B-S) 2848 124 ILE ( 124 ) CA <> 5 ARG ( 5 ) NH1 D= 3.66 H-ene= -- Sym= (B-S) 2849 124 ILE ( 124 ) C <> 5 ARG ( 5 ) NH1 D= 3.60 H-ene= -- Sym= (B-S) 2850 124 ILE ( 124 ) CG2 <> 9 ALA ( 9 ) CB D= 4.03 H-ene= -- Sym= (S-S) 2851 124 ILE ( 124 ) CG2 <> 26 GLY ( 26 ) CA D= 4.07 H-ene= -- Sym= (S-B) 2852 124 ILE ( 124 ) N <> 121 GLN ( 121 ) C D= 3.83 H-ene= -- Sym= (B-B) 2853 124 ILE ( 124 ) N <> 121 GLN ( 121 ) O D= 2.97 H-ene= 0.61 Sym= (B-B) 2854 124 ILE ( 124 ) CG1 <> 121 GLN ( 121 ) C D= 4.02 H-ene= -- Sym= (S-B) 2855 124 ILE ( 124 ) CG1 <> 121 GLN ( 121 ) O D= 3.11 H-ene= -- Sym= (S-B) 2856 124 ILE ( 124 ) N <> 122 ALA ( 122 ) C D= 3.15 H-ene= -- Sym= (B-B) 2857 124 ILE ( 124 ) N <> 122 ALA ( 122 ) O D= 3.28 H-ene= -- Sym= (B-B) 2858 124 ILE ( 124 ) C <> 126 GLY ( 126 ) N D= 3.84 H-ene= -- Sym= (B-B) 2859 124 ILE ( 124 ) O <> 126 GLY ( 126 ) N D= 3.35 H-ene= -- Sym= (B-B) 2860 124 ILE ( 124 ) CA <> 127 CYS ( 127 ) SG D= 3.90 H-ene= -- Sym= (B-S) 2861 124 ILE ( 124 ) C <> 127 CYS ( 127 ) SG D= 3.71 H-ene= -- Sym= (B-S) 2862 124 ILE ( 124 ) O <> 127 CYS ( 127 ) N D= 3.14 H-ene= 0.63 Sym= (B-B) 2863 124 ILE ( 124 ) O <> 127 CYS ( 127 ) CB D= 3.39 H-ene= -- Sym= (B-S) 2864 124 ILE ( 124 ) O <> 127 CYS ( 127 ) SG D= 3.26 H-ene= -- Sym= (B-S) 2865 124 ILE ( 124 ) O <> 133 HOH (HOH ) 179 D= 3.22 H-ene= 0.57 Sym= (B-W) 2866 124 ILE ( 124 ) CD1 <> 133 HOH (HOH ) 143 D= 3.62 H-ene= -- Sym= (S-W) 2867 125 ARG ( 125 ) N <> 5 ARG ( 5 ) NH1 D= 3.58 H-ene= -- Sym= (B-S) 2868 125 ARG ( 125 ) C <> 5 ARG ( 5 ) NH1 D= 3.90 H-ene= -- Sym= (B-S) 2869 125 ARG ( 125 ) O <> 5 ARG ( 5 ) CZ D= 3.39 H-ene= -- Sym= (B-S) 2870 125 ARG ( 125 ) O <> 5 ARG ( 5 ) NH1 D= 2.91 H-ene= 0.58 Sym= (B-S) 2871 125 ARG ( 125 ) O <> 5 ARG ( 5 ) NH2 D= 3.01 H-ene= 0.50 Sym= (B-S) 2872 125 ARG ( 125 ) CZ <> 5 ARG ( 5 ) NH2 D= 3.83 H-ene= -- Sym= (S-S) 2873 125 ARG ( 125 ) NH1 <> 5 ARG ( 5 ) NE D= 3.83 H-ene= -- Sym= (S-S) 2874 125 ARG ( 125 ) NH1 <> 5 ARG ( 5 ) CZ D= 3.53 H-ene= -- Sym= (S-S) 2875 125 ARG ( 125 ) NH1 <> 5 ARG ( 5 ) NH1 D= 3.79 H-ene= -- Sym= (S-S) 2876 125 ARG ( 125 ) NH1 <> 5 ARG ( 5 ) NH2 D= 3.67 H-ene= -- Sym= (S-S) 2877 125 ARG ( 125 ) N <> 121 GLN ( 121 ) O D= 3.23 H-ene= 0.24 Sym= (B-B) 2878 125 ARG ( 125 ) N <> 122 ALA ( 122 ) C D= 3.74 H-ene= -- Sym= (B-B) 2879 125 ARG ( 125 ) N <> 122 ALA ( 122 ) O D= 3.32 H-ene= 0.14 Sym= (B-B) 2880 125 ARG ( 125 ) CB <> 122 ALA ( 122 ) O D= 3.66 H-ene= -- Sym= (S-B) 2881 125 ARG ( 125 ) CG <> 122 ALA ( 122 ) CA D= 3.89 H-ene= -- Sym= (S-B) 2882 125 ARG ( 125 ) CG <> 122 ALA ( 122 ) C D= 3.70 H-ene= -- Sym= (S-B) 2883 125 ARG ( 125 ) CG <> 122 ALA ( 122 ) O D= 2.86 H-ene= -- Sym= (S-B) 2884 125 ARG ( 125 ) NH1 <> 122 ALA ( 122 ) C D= 3.86 H-ene= -- Sym= (S-B) 2885 125 ARG ( 125 ) NH1 <> 122 ALA ( 122 ) O D= 2.71 H-ene= 0.51 Sym= (S-B) 2886 125 ARG ( 125 ) N <> 123 TRP ( 123 ) C D= 3.53 H-ene= -- Sym= (B-B) 2887 125 ARG ( 125 ) C <> 127 CYS ( 127 ) N D= 3.20 H-ene= -- Sym= (B-B) 2888 125 ARG ( 125 ) O <> 127 CYS ( 127 ) N D= 3.30 H-ene= -- Sym= (B-B) 2889 125 ARG ( 125 ) O <> 127 CYS ( 127 ) SG D= 3.85 H-ene= -- Sym= (B-S) 2890 125 ARG ( 125 ) NH1 <> 133 HOH (HOH ) 251 D= 3.46 H-ene= 0.70 Sym= (S-W) 2891 126 GLY ( 126 ) N <> 124 ILE ( 124 ) C D= 3.84 H-ene= -- Sym= (B-B) 2892 126 GLY ( 126 ) N <> 124 ILE ( 124 ) O D= 3.35 H-ene= -- Sym= (B-B) 2893 127 CYS ( 127 ) SG <> 5 ARG ( 5 ) CZ D= 4.07 H-ene= -- Sym= (S-S) 2894 127 CYS ( 127 ) SG <> 5 ARG ( 5 ) NH1 D= 3.32 H-ene= 0.07 Sym= (S-S) 2895 127 CYS ( 127 ) N <> 6 CYS ( 6 ) SG D= 3.82 H-ene= -- Sym= (B-S) 2896 127 CYS ( 127 ) CA <> 6 CYS ( 6 ) SG D= 3.44 H-ene= -- Sym= (B-S) 2897 127 CYS ( 127 ) CB <> 6 CYS ( 6 ) CB D= 3.53 H-ene= -- Sym= (S-S) 2898 127 CYS ( 127 ) SG <> 6 CYS ( 6 ) N D= 4.04 H-ene= -- Sym= (S-B) 2899 127 CYS ( 127 ) SG <> 6 CYS ( 6 ) CA D= 3.37 H-ene= -- Sym= (S-B) 2900 127 CYS ( 127 ) N <> 124 ILE ( 124 ) O D= 3.14 H-ene= 0.63 Sym= (B-B) 2901 127 CYS ( 127 ) CB <> 124 ILE ( 124 ) O D= 3.39 H-ene= -- Sym= (S-B) 2902 127 CYS ( 127 ) SG <> 124 ILE ( 124 ) CA D= 3.90 H-ene= -- Sym= (S-B) 2903 127 CYS ( 127 ) SG <> 124 ILE ( 124 ) C D= 3.71 H-ene= -- Sym= (S-B) 2904 127 CYS ( 127 ) SG <> 124 ILE ( 124 ) O D= 3.26 H-ene= -- Sym= (S-B) 2905 127 CYS ( 127 ) N <> 125 ARG ( 125 ) C D= 3.20 H-ene= -- Sym= (B-B) 2906 127 CYS ( 127 ) N <> 125 ARG ( 125 ) O D= 3.30 H-ene= -- Sym= (B-B) 2907 127 CYS ( 127 ) SG <> 125 ARG ( 125 ) O D= 3.85 H-ene= -- Sym= (S-B) 2908 127 CYS ( 127 ) C <> 129 LEU ( 129 ) N D= 3.61 H-ene= -- Sym= (B-B) 2909 127 CYS ( 127 ) C <> 129 LEU ( 129 ) CD2 D= 3.82 H-ene= -- Sym= (B-S) 2910 127 CYS ( 127 ) O <> 129 LEU ( 129 ) N D= 3.49 H-ene= -- Sym= (B-B) 2911 127 CYS ( 127 ) O <> 129 LEU ( 129 ) CD2 D= 3.62 H-ene= -- Sym= (B-S) 2912 127 CYS ( 127 ) CB <> 129 LEU ( 129 ) CD2 D= 3.34 H-ene= -- Sym= (S-S) 2913 127 CYS ( 127 ) O <> 133 HOH (HOH ) 179 D= 2.79 H-ene= 0.82 Sym= (B-W) 2914 127 CYS ( 127 ) O <> 133 HOH (HOH ) 213 D= 3.19 H-ene= 0.84 Sym= (B-W) 2915 128 ARG ( 128 ) CA <> 133 HOH (HOH ) 213 D= 3.50 H-ene= -- Sym= (B-W) 2916 128 ARG ( 128 ) C <> 133 HOH (HOH ) 260 D= 3.26 H-ene= -- Sym= (B-W) 2917 128 ARG ( 128 ) O <> 133 HOH (HOH ) 182 D= 2.88 H-ene= 0.72 Sym= (B-W) 2918 128 ARG ( 128 ) O <> 133 HOH (HOH ) 260 D= 2.71 H-ene= 0.61 Sym= (B-W) 2919 128 ARG ( 128 ) CG <> 133 HOH (HOH ) 248 D= 3.65 H-ene= -- Sym= (S-W) 2920 128 ARG ( 128 ) CD <> 133 HOH (HOH ) 248 D= 2.74 H-ene= -- Sym= (S-W) 2921 128 ARG ( 128 ) NH1 <> 133 HOH (HOH ) 248 D= 3.23 H-ene= 0.77 Sym= (S-W) 2922 129 LEU ( 129 ) CD1 <> 9 ALA ( 9 ) C D= 3.74 H-ene= -- Sym= (S-B) 2923 129 LEU ( 129 ) CD1 <> 9 ALA ( 9 ) CB D= 3.91 H-ene= -- Sym= (S-S) 2924 129 LEU ( 129 ) CD1 <> 10 ALA ( 10 ) N D= 3.49 H-ene= -- Sym= (S-B) 2925 129 LEU ( 129 ) CD1 <> 10 ALA ( 10 ) CA D= 3.54 H-ene= -- Sym= (S-B) 2926 129 LEU ( 129 ) CD1 <> 10 ALA ( 10 ) CB D= 3.98 H-ene= -- Sym= (S-S) 2927 129 LEU ( 129 ) C <> 13 LYS ( 13 ) NZ D= 3.47 H-ene= -- Sym= (B-S) 2928 129 LEU ( 129 ) CB <> 13 LYS ( 13 ) CD D= 3.60 H-ene= -- Sym= (S-S) 2929 129 LEU ( 129 ) CB <> 13 LYS ( 13 ) CE D= 3.88 H-ene= -- Sym= (S-S) 2930 129 LEU ( 129 ) CG <> 13 LYS ( 13 ) CD D= 3.88 H-ene= -- Sym= (S-S) 2931 129 LEU ( 129 ) CG <> 25 LEU ( 25 ) CD2 D= 4.09 H-ene= -- Sym= (S-S) 2932 129 LEU ( 129 ) N <> 127 CYS ( 127 ) C D= 3.61 H-ene= -- Sym= (B-B) 2933 129 LEU ( 129 ) N <> 127 CYS ( 127 ) O D= 3.49 H-ene= -- Sym= (B-B) 2934 129 LEU ( 129 ) CD2 <> 127 CYS ( 127 ) C D= 3.82 H-ene= -- Sym= (S-B) 2935 129 LEU ( 129 ) CD2 <> 127 CYS ( 127 ) O D= 3.62 H-ene= -- Sym= (S-B) 2936 129 LEU ( 129 ) CD2 <> 127 CYS ( 127 ) CB D= 3.34 H-ene= -- Sym= (S-S) 2937 129 LEU ( 129 ) N <> 132 LEU ( OXT ) O2 D= 3.27 H-ene= -- Sym= (B-B) 2938 129 LEU ( 129 ) CB <> 132 LEU ( OXT ) O2 D= 2.85 H-ene= -- Sym= (S-B) 2939 129 LEU ( 129 ) N <> 133 HOH (HOH ) 213 D= 3.00 H-ene= 0.83 Sym= (B-W) 2940 129 LEU ( 129 ) CA <> 133 HOH (HOH ) 260 D= 3.62 H-ene= -- Sym= (B-W) 2941 129 LEU ( 129 ) C <> 133 HOH (HOH ) 260 D= 3.34 H-ene= -- Sym= (B-W) 2942 129 LEU ( 129 ) O <> 133 HOH (HOH ) 260 D= 2.66 H-ene= 0.67 Sym= (B-W) 2943 129 LEU ( 129 ) CD1 <> 133 HOH (HOH ) 182 D= 3.55 H-ene= -- Sym= (S-W) 2944 129 LEU ( 129 ) CD2 <> 133 HOH (HOH ) 179 D= 3.27 H-ene= -- Sym= (S-W)
Calculate contacts 1 - 129 -> 130 - 133 d= 0.500 1 1 LYS ( 1 ) N <> 133 HOH (HOH ) 145 D= 2.69 H-ene= 0.76 Sym= (B-W) 2 1 LYS ( 1 ) N <> 133 HOH (HOH ) 169 D= 2.68 H-ene= 0.80 Sym= (B-W) 3 1 LYS ( 1 ) CA <> 133 HOH (HOH ) 145 D= 3.35 H-ene= -- Sym= (B-W) 4 1 LYS ( 1 ) CA <> 133 HOH (HOH ) 160 D= 3.63 H-ene= -- Sym= (B-W) 5 1 LYS ( 1 ) CA <> 133 HOH (HOH ) 169 D= 3.54 H-ene= -- Sym= (B-W) 6 1 LYS ( 1 ) C <> 133 HOH (HOH ) 145 D= 3.50 H-ene= -- Sym= (B-W) 7 1 LYS ( 1 ) CB <> 133 HOH (HOH ) 220 D= 3.46 H-ene= -- Sym= (S-W) 8 1 LYS ( 1 ) CD <> 133 HOH (HOH ) 227 D= 3.34 H-ene= -- Sym= (S-W) 9 1 LYS ( 1 ) CD <> 133 HOH (HOH ) 236 D= 3.56 H-ene= -- Sym= (S-W) 10 1 LYS ( 1 ) CE <> 133 HOH (HOH ) 227 D= 3.32 H-ene= -- Sym= (S-W) 11 1 LYS ( 1 ) CE <> 133 HOH (HOH ) 236 D= 3.30 H-ene= -- Sym= (S-W) 12 1 LYS ( 1 ) NZ <> 133 HOH (HOH ) 236 D= 2.74 H-ene= 0.68 Sym= (S-W) 13 2 VAL ( 2 ) N <> 133 HOH (HOH ) 160 D= 2.94 H-ene= 0.94 Sym= (B-W) 14 3 PHE ( 3 ) O <> 133 HOH (HOH ) 171 D= 2.64 H-ene= 0.72 Sym= (B-W) 15 3 PHE ( 3 ) CZ <> 133 HOH (HOH ) 227 D= 3.12 H-ene= -- Sym= (S-W) 16 4 GLY ( 4 ) CA <> 133 HOH (HOH ) 177 D= 3.44 H-ene= -- Sym= (B-W) 17 4 GLY ( 4 ) C <> 133 HOH (HOH ) 177 D= 3.43 H-ene= -- Sym= (B-W) 18 5 ARG ( 5 ) N <> 133 HOH (HOH ) 140 D= 3.47 H-ene= -- Sym= (B-W) 19 5 ARG ( 5 ) N <> 133 HOH (HOH ) 190 D= 3.19 H-ene= 0.54 Sym= (B-W) 20 5 ARG ( 5 ) CB <> 133 HOH (HOH ) 190 D= 3.51 H-ene= -- Sym= (S-W) 21 5 ARG ( 5 ) CB <> 133 HOH (HOH ) 246 D= 3.68 H-ene= -- Sym= (S-W) 22 5 ARG ( 5 ) CD <> 133 HOH (HOH ) 246 D= 3.70 H-ene= -- Sym= (S-W) 23 5 ARG ( 5 ) NE <> 133 HOH (HOH ) 246 D= 2.87 H-ene= 0.78 Sym= (S-W) 24 6 CYS ( 6 ) N <> 133 HOH (HOH ) 140 D= 3.06 H-ene= 0.91 Sym= (B-W) 25 6 CYS ( 6 ) N <> 133 HOH (HOH ) 177 D= 3.34 H-ene= 0.19 Sym= (B-W) 26 6 CYS ( 6 ) C <> 133 HOH (HOH ) 182 D= 3.64 H-ene= -- Sym= (B-W) 27 6 CYS ( 6 ) O <> 133 HOH (HOH ) 182 D= 2.92 H-ene= 0.70 Sym= (B-W) 28 6 CYS ( 6 ) CB <> 133 HOH (HOH ) 140 D= 3.64 H-ene= -- Sym= (S-W) 29 6 CYS ( 6 ) SG <> 133 HOH (HOH ) 140 D= 3.66 H-ene= 0.11 Sym= (S-W) 30 6 CYS ( 6 ) SG <> 133 HOH (HOH ) 199 D= 3.81 H-ene= -- Sym= (S-W) 31 7 GLU ( 7 ) N <> 133 HOH (HOH ) 177 D= 2.98 H-ene= 0.62 Sym= (B-W) 32 7 GLU ( 7 ) C <> 133 HOH (HOH ) 156 D= 3.59 H-ene= -- Sym= (B-W) 33 7 GLU ( 7 ) O <> 133 HOH (HOH ) 156 D= 2.71 H-ene= 0.86 Sym= (B-W) 34 7 GLU ( 7 ) CB <> 133 HOH (HOH ) 177 D= 3.56 H-ene= -- Sym= (S-W) 35 7 GLU ( 7 ) CG <> 133 HOH (HOH ) 156 D= 3.35 H-ene= -- Sym= (S-W) 36 7 GLU ( 7 ) CG <> 133 HOH (HOH ) 231 D= 3.30 H-ene= -- Sym= (S-W) 37 7 GLU ( 7 ) CD <> 133 HOH (HOH ) 231 D= 3.37 H-ene= -- Sym= (S-W) 38 7 GLU ( 7 ) OE2 <> 133 HOH (HOH ) 231 D= 2.72 H-ene= 0.78 Sym= (S-W) 39 10 ALA ( 10 ) O <> 133 HOH (HOH ) 188 D= 2.98 H-ene= 0.79 Sym= (B-W) 40 10 ALA ( 10 ) CB <> 133 HOH (HOH ) 182 D= 3.40 H-ene= -- Sym= (S-W) 41 13 LYS ( 13 ) NZ <> 132 LEU ( OXT ) O2 D= 2.91 H-ene= -- Sym= (S-B) 42 13 LYS ( 13 ) CA <> 133 HOH (HOH ) 166 D= 3.42 H-ene= -- Sym= (B-W) 43 13 LYS ( 13 ) C <> 133 HOH (HOH ) 166 D= 3.46 H-ene= -- Sym= (B-W) 44 13 LYS ( 13 ) O <> 133 HOH (HOH ) 166 D= 2.72 H-ene= 0.95 Sym= (B-W) 45 14 ARG ( 14 ) CB <> 133 HOH (HOH ) 188 D= 3.46 H-ene= -- Sym= (S-W) 46 14 ARG ( 14 ) CG <> 133 HOH (HOH ) 188 D= 3.60 H-ene= -- Sym= (S-W) 47 14 ARG ( 14 ) CD <> 133 HOH (HOH ) 254 D= 3.02 H-ene= -- Sym= (S-W) 48 14 ARG ( 14 ) CZ <> 133 HOH (HOH ) 228 D= 3.65 H-ene= -- Sym= (S-W) 49 14 ARG ( 14 ) NH1 <> 133 HOH (HOH ) 254 D= 3.35 H-ene= 0.83 Sym= (S-W) 50 14 ARG ( 14 ) NH2 <> 133 HOH (HOH ) 228 D= 2.69 H-ene= 0.63 Sym= (S-W) 51 15 HIS ( 15 ) CA <> 133 HOH (HOH ) 247 D= 3.55 H-ene= -- Sym= (B-W) 52 15 HIS ( 15 ) C <> 133 HOH (HOH ) 247 D= 3.68 H-ene= -- Sym= (B-W) 53 15 HIS ( 15 ) CD2 <> 133 HOH (HOH ) 247 D= 3.60 H-ene= -- Sym= (S-W) 54 15 HIS ( 15 ) CD2 <> 133 HOH (HOH ) 258 D= 2.89 H-ene= -- Sym= (S-W) 55 15 HIS ( 15 ) CE1 <> 133 HOH (HOH ) 228 D= 3.23 H-ene= -- Sym= (S-W) 56 15 HIS ( 15 ) NE2 <> 133 HOH (HOH ) 228 D= 3.58 H-ene= -- Sym= (S-W) 57 15 HIS ( 15 ) NE2 <> 133 HOH (HOH ) 258 D= 3.37 H-ene= 0.23 Sym= (S-W) 58 15 HIS ( 15 ) NE2 <> 133 HOH (HOH ) 259 D= 3.54 H-ene= 0.57 Sym= (S-W) 59 16 GLY ( 16 ) CA <> 133 HOH (HOH ) 166 D= 3.37 H-ene= -- Sym= (B-W) 60 16 GLY ( 16 ) C <> 133 HOH (HOH ) 166 D= 3.36 H-ene= -- Sym= (B-W) 61 17 LEU ( 17 ) N <> 133 HOH (HOH ) 166 D= 3.37 H-ene= -- Sym= (B-W) 62 18 ASP ( 18 ) N <> 133 HOH (HOH ) 166 D= 2.79 H-ene= 0.65 Sym= (B-W) 63 18 ASP ( 18 ) CA <> 133 HOH (HOH ) 166 D= 3.39 H-ene= -- Sym= (B-W) 64 18 ASP ( 18 ) O <> 133 HOH (HOH ) 214 D= 3.00 H-ene= 0.73 Sym= (B-W) 65 18 ASP ( 18 ) CB <> 133 HOH (HOH ) 166 D= 3.05 H-ene= -- Sym= (S-W) 66 19 ASN ( 19 ) CA <> 133 HOH (HOH ) 244 D= 3.08 H-ene= -- Sym= (B-W) 67 19 ASN ( 19 ) C <> 133 HOH (HOH ) 214 D= 3.55 H-ene= -- Sym= (B-W) 68 19 ASN ( 19 ) CB <> 133 HOH (HOH ) 244 D= 2.97 H-ene= -- Sym= (S-W) 69 19 ASN ( 19 ) CG <> 133 HOH (HOH ) 244 D= 3.18 H-ene= -- Sym= (S-W) 70 19 ASN ( 19 ) OD1 <> 133 HOH (HOH ) 244 D= 2.66 H-ene= 0.75 Sym= (S-W) 71 20 TYR ( 20 ) N <> 133 HOH (HOH ) 214 D= 3.37 H-ene= -- Sym= (B-W) 72 20 TYR ( 20 ) CA <> 133 HOH (HOH ) 214 D= 3.42 H-ene= -- Sym= (B-W) 73 20 TYR ( 20 ) CD1 <> 133 HOH (HOH ) 269 D= 3.27 H-ene= -- Sym= (S-W) 74 20 TYR ( 20 ) CE1 <> 133 HOH (HOH ) 253 D= 3.47 H-ene= -- Sym= (S-W) 75 20 TYR ( 20 ) CE1 <> 133 HOH (HOH ) 256 D= 3.67 H-ene= -- Sym= (S-W) 76 20 TYR ( 20 ) CE1 <> 133 HOH (HOH ) 269 D= 3.49 H-ene= -- Sym= (S-W) 77 20 TYR ( 20 ) OH <> 133 HOH (HOH ) 252 D= 3.29 H-ene= 0.85 Sym= (S-W) 78 20 TYR ( 20 ) OH <> 133 HOH (HOH ) 253 D= 3.15 H-ene= 0.90 Sym= (S-W) 79 21 ARG ( 21 ) N <> 133 HOH (HOH ) 222 D= 2.98 H-ene= 0.88 Sym= (B-W) 80 21 ARG ( 21 ) O <> 133 HOH (HOH ) 141 D= 2.83 H-ene= 0.90 Sym= (B-W) 81 21 ARG ( 21 ) CD <> 133 HOH (HOH ) 270 D= 3.45 H-ene= -- Sym= (S-W) 82 21 ARG ( 21 ) NH1 <> 133 HOH (HOH ) 270 D= 2.78 H-ene= 0.66 Sym= (S-W) 83 22 GLY ( 22 ) CA <> 133 HOH (HOH ) 244 D= 3.18 H-ene= -- Sym= (B-W) 84 22 GLY ( 22 ) C <> 133 HOH (HOH ) 244 D= 2.96 H-ene= -- Sym= (B-W) 85 22 GLY ( 22 ) O <> 133 HOH (HOH ) 170 D= 2.97 H-ene= 0.91 Sym= (B-W) 86 22 GLY ( 22 ) O <> 133 HOH (HOH ) 244 D= 2.98 H-ene= -- Sym= (B-W) 87 23 TYR ( 23 ) CE2 <> 130 CL ( 130 ) CL D= 3.70 H-ene= -- Sym= (S-B) 88 23 TYR ( 23 ) CZ <> 130 CL ( 130 ) CL D= 3.68 H-ene= -- Sym= (S-B) 89 23 TYR ( 23 ) OH <> 130 CL ( 130 ) CL D= 3.02 H-ene= -- Sym= (S-B) 90 23 TYR ( 23 ) N <> 133 HOH (HOH ) 244 D= 3.59 H-ene= -- Sym= (B-W) 91 24 SER ( 24 ) CB <> 133 HOH (HOH ) 143 D= 3.56 H-ene= -- Sym= (S-W) 92 24 SER ( 24 ) OG <> 133 HOH (HOH ) 143 D= 3.20 H-ene= 0.90 Sym= (S-W) 93 24 SER ( 24 ) OG <> 133 HOH (HOH ) 241 D= 2.96 H-ene= 0.97 Sym= (S-W) 94 26 GLY ( 26 ) N <> 133 HOH (HOH ) 143 D= 3.01 H-ene= 0.62 Sym= (B-W) 95 26 GLY ( 26 ) CA <> 133 HOH (HOH ) 143 D= 3.37 H-ene= -- Sym= (B-W) 96 27 ASN ( 27 ) OD1 <> 133 HOH (HOH ) 159 D= 2.91 H-ene= 0.91 Sym= (S-W) 97 27 ASN ( 27 ) ND2 <> 133 HOH (HOH ) 162 D= 3.03 H-ene= 0.91 Sym= (S-W) 98 33 LYS ( 33 ) O <> 133 HOH (HOH ) 183 D= 2.97 H-ene= 0.72 Sym= (B-W) 99 33 LYS ( 33 ) CE <> 133 HOH (HOH ) 180 D= 3.53 H-ene= -- Sym= (S-W) 100 33 LYS ( 33 ) CE <> 133 HOH (HOH ) 183 D= 3.46 H-ene= -- Sym= (S-W) 101 34 PHE ( 34 ) O <> 133 HOH (HOH ) 200 D= 2.73 H-ene= 0.75 Sym= (B-W) 102 34 PHE ( 34 ) CE1 <> 133 HOH (HOH ) 180 D= 3.55 H-ene= -- Sym= (S-W) 103 34 PHE ( 34 ) CZ <> 133 HOH (HOH ) 250 D= 3.47 H-ene= -- Sym= (S-W) 104 35 GLU ( 35 ) O <> 133 HOH (HOH ) 224 D= 3.07 H-ene= 0.84 Sym= (B-W) 105 35 GLU ( 35 ) O <> 133 HOH (HOH ) 232 D= 2.80 H-ene= 0.85 Sym= (B-W) 106 35 GLU ( 35 ) CD <> 133 HOH (HOH ) 152 D= 3.62 H-ene= -- Sym= (S-W) 107 35 GLU ( 35 ) OE1 <> 133 HOH (HOH ) 152 D= 2.77 H-ene= 0.98 Sym= (S-W) 108 36 SER ( 36 ) CA <> 133 HOH (HOH ) 232 D= 3.52 H-ene= -- Sym= (B-W) 109 36 SER ( 36 ) C <> 133 HOH (HOH ) 209 D= 3.62 H-ene= -- Sym= (B-W) 110 36 SER ( 36 ) O <> 133 HOH (HOH ) 175 D= 2.85 H-ene= 0.73 Sym= (B-W) 111 37 ASN ( 37 ) CG <> 133 HOH (HOH ) 183 D= 3.56 H-ene= -- Sym= (S-W) 112 37 ASN ( 37 ) OD1 <> 133 HOH (HOH ) 183 D= 3.10 H-ene= 0.54 Sym= (S-W) 113 37 ASN ( 37 ) ND2 <> 133 HOH (HOH ) 204 D= 2.89 H-ene= 0.65 Sym= (S-W) 114 38 PHE ( 38 ) CE2 <> 133 HOH (HOH ) 181 D= 3.64 H-ene= -- Sym= (S-W) 115 39 ASN ( 39 ) CB <> 133 HOH (HOH ) 175 D= 3.40 H-ene= -- Sym= (S-W) 116 39 ASN ( 39 ) OD1 <> 133 HOH (HOH ) 145 D= 2.73 H-ene= 0.75 Sym= (S-W) 117 39 ASN ( 39 ) ND2 <> 133 HOH (HOH ) 175 D= 3.43 H-ene= 0.53 Sym= (S-W) 118 41 GLN ( 41 ) O <> 133 HOH (HOH ) 134 D= 2.70 H-ene= 0.74 Sym= (B-W) 119 41 GLN ( 41 ) CG <> 133 HOH (HOH ) 145 D= 3.48 H-ene= -- Sym= (S-W) 120 41 GLN ( 41 ) CD <> 133 HOH (HOH ) 145 D= 3.65 H-ene= -- Sym= (S-W) 121 41 GLN ( 41 ) NE2 <> 133 HOH (HOH ) 145 D= 2.89 H-ene= 0.78 Sym= (S-W) 122 43 THR ( 43 ) N <> 133 HOH (HOH ) 134 D= 3.19 H-ene= 0.31 Sym= (B-W) 123 43 THR ( 43 ) CB <> 133 HOH (HOH ) 134 D= 3.47 H-ene= -- Sym= (S-W) 124 43 THR ( 43 ) CB <> 133 HOH (HOH ) 273 D= 3.32 H-ene= -- Sym= (S-W) 125 43 THR ( 43 ) OG1 <> 133 HOH (HOH ) 134 D= 2.60 H-ene= 0.87 Sym= (S-W) 126 43 THR ( 43 ) OG1 <> 133 HOH (HOH ) 273 D= 2.78 H-ene= -- Sym= (S-W) 127 43 THR ( 43 ) CG2 <> 133 HOH (HOH ) 134 D= 3.59 H-ene= -- Sym= (S-W) 128 44 ASN ( 44 ) CA <> 133 HOH (HOH ) 168 D= 3.67 H-ene= -- Sym= (B-W) 129 44 ASN ( 44 ) OD1 <> 133 HOH (HOH ) 232 D= 3.22 H-ene= 0.73 Sym= (S-W) 130 45 ARG ( 45 ) N <> 133 HOH (HOH ) 168 D= 3.03 H-ene= 0.91 Sym= (B-W) 131 45 ARG ( 45 ) CG <> 133 HOH (HOH ) 271 D= 3.39 H-ene= -- Sym= (S-W) 132 45 ARG ( 45 ) CD <> 133 HOH (HOH ) 271 D= 2.90 H-ene= -- Sym= (S-W) 133 45 ARG ( 45 ) NE <> 133 HOH (HOH ) 132 D= 3.53 H-ene= -- Sym= (S-W) 134 45 ARG ( 45 ) CZ <> 133 HOH (HOH ) 271 D= 3.53 H-ene= -- Sym= (S-W) 135 45 ARG ( 45 ) NH1 <> 133 HOH (HOH ) 271 D= 2.59 H-ene= 0.71 Sym= (S-W) 136 46 ASN ( 46 ) CA <> 133 HOH (HOH ) 193 D= 3.64 H-ene= -- Sym= (B-W) 137 46 ASN ( 46 ) CB <> 133 HOH (HOH ) 198 D= 3.31 H-ene= -- Sym= (S-W) 138 47 THR ( 47 ) N <> 133 HOH (HOH ) 193 D= 3.52 H-ene= 0.57 Sym= (B-W) 139 47 THR ( 47 ) N <> 133 HOH (HOH ) 198 D= 3.54 H-ene= -- Sym= (B-W) 140 48 ASP ( 48 ) N <> 133 HOH (HOH ) 198 D= 3.22 H-ene= 0.71 Sym= (B-W) 141 48 ASP ( 48 ) CB <> 133 HOH (HOH ) 198 D= 3.50 H-ene= -- Sym= (S-W) 142 48 ASP ( 48 ) CG <> 133 HOH (HOH ) 198 D= 3.04 H-ene= -- Sym= (S-W) 143 48 ASP ( 48 ) OD1 <> 133 HOH (HOH ) 198 D= 3.01 H-ene= -- Sym= (S-W) 144 48 ASP ( 48 ) OD2 <> 133 HOH (HOH ) 216 D= 2.76 H-ene= 0.82 Sym= (S-W) 145 48 ASP ( 48 ) OD2 <> 133 HOH (HOH ) 223 D= 2.81 H-ene= 0.87 Sym= (S-W) 146 49 GLY ( 49 ) O <> 133 HOH (HOH ) 132 D= 2.77 H-ene= 0.84 Sym= (B-W) 147 50 SER ( 50 ) C <> 133 HOH (HOH ) 132 D= 3.52 H-ene= -- Sym= (B-W) 148 51 THR ( 51 ) N <> 133 HOH (HOH ) 132 D= 3.46 H-ene= -- Sym= (B-W) 149 51 THR ( 51 ) CB <> 133 HOH (HOH ) 132 D= 3.52 H-ene= -- Sym= (S-W) 150 51 THR ( 51 ) OG1 <> 133 HOH (HOH ) 132 D= 2.70 H-ene= 0.92 Sym= (S-W) 151 52 ASP ( 52 ) CG <> 133 HOH (HOH ) 218 D= 3.22 H-ene= -- Sym= (S-W) 152 52 ASP ( 52 ) OD1 <> 133 HOH (HOH ) 218 D= 2.94 H-ene= 0.62 Sym= (S-W) 153 52 ASP ( 52 ) OD2 <> 133 HOH (HOH ) 146 D= 3.03 H-ene= 0.91 Sym= (S-W) 154 52 ASP ( 52 ) OD2 <> 133 HOH (HOH ) 218 D= 2.80 H-ene= 0.75 Sym= (S-W) 155 53 TYR ( 53 ) O <> 133 HOH (HOH ) 142 D= 2.90 H-ene= 0.89 Sym= (B-W) 156 54 GLY ( 54 ) CA <> 133 HOH (HOH ) 142 D= 3.52 H-ene= -- Sym= (B-W) 157 54 GLY ( 54 ) CA <> 133 HOH (HOH ) 155 D= 3.56 H-ene= -- Sym= (B-W) 158 54 GLY ( 54 ) C <> 133 HOH (HOH ) 142 D= 3.48 H-ene= -- Sym= (B-W) 159 55 ILE ( 55 ) N <> 133 HOH (HOH ) 142 D= 3.40 H-ene= -- Sym= (B-W) 160 55 ILE ( 55 ) N <> 133 HOH (HOH ) 155 D= 2.84 H-ene= 0.91 Sym= (B-W) 161 55 ILE ( 55 ) CA <> 133 HOH (HOH ) 155 D= 3.67 H-ene= -- Sym= (B-W) 162 55 ILE ( 55 ) CB <> 133 HOH (HOH ) 155 D= 3.32 H-ene= -- Sym= (S-W) 163 55 ILE ( 55 ) CG2 <> 133 HOH (HOH ) 155 D= 3.13 H-ene= -- Sym= (S-W) 164 56 LEU ( 56 ) N <> 133 HOH (HOH ) 142 D= 2.90 H-ene= 0.78 Sym= (B-W) 165 56 LEU ( 56 ) CA <> 133 HOH (HOH ) 142 D= 3.54 H-ene= -- Sym= (B-W) 166 56 LEU ( 56 ) CB <> 133 HOH (HOH ) 142 D= 3.62 H-ene= -- Sym= (S-W) 167 57 GLN ( 57 ) N <> 133 HOH (HOH ) 142 D= 3.60 H-ene= -- Sym= (B-W) 168 57 GLN ( 57 ) O <> 133 HOH (HOH ) 173 D= 2.80 H-ene= 0.70 Sym= (B-W) 169 57 GLN ( 57 ) CG <> 133 HOH (HOH ) 146 D= 3.68 H-ene= -- Sym= (S-W) 170 57 GLN ( 57 ) CD <> 133 HOH (HOH ) 146 D= 3.61 H-ene= -- Sym= (S-W) 171 57 GLN ( 57 ) OE1 <> 133 HOH (HOH ) 146 D= 2.78 H-ene= 0.98 Sym= (S-W) 172 58 ILE ( 58 ) CA <> 133 HOH (HOH ) 139 D= 3.44 H-ene= -- Sym= (B-W) 173 58 ILE ( 58 ) C <> 133 HOH (HOH ) 139 D= 3.61 H-ene= -- Sym= (B-W) 174 59 ASN ( 59 ) N <> 133 HOH (HOH ) 139 D= 2.81 H-ene= 0.77 Sym= (B-W) 175 59 ASN ( 59 ) CB <> 133 HOH (HOH ) 139 D= 3.43 H-ene= -- Sym= (S-W) 176 59 ASN ( 59 ) CB <> 133 HOH (HOH ) 233 D= 3.40 H-ene= -- Sym= (S-W) 177 59 ASN ( 59 ) CG <> 133 HOH (HOH ) 233 D= 3.69 H-ene= -- Sym= (S-W) 178 60 SER ( 60 ) C <> 131 NA ( 131 ) NA D= 3.39 H-ene= -- Sym= (B-B) 179 60 SER ( 60 ) O <> 131 NA ( 131 ) NA D= 2.20 H-ene= -- Sym= (B-B) 180 61 ARG ( 61 ) CB <> 133 HOH (HOH ) 216 D= 3.35 H-ene= -- Sym= (S-W) 181 61 ARG ( 61 ) CG <> 133 HOH (HOH ) 216 D= 3.37 H-ene= -- Sym= (S-W) 182 62 TRP ( 62 ) CD1 <> 133 HOH (HOH ) 208 D= 3.65 H-ene= -- Sym= (S-W) 183 63 TRP ( 63 ) CD1 <> 133 HOH (HOH ) 139 D= 3.58 H-ene= -- Sym= (S-W) 184 63 TRP ( 63 ) NE1 <> 133 HOH (HOH ) 208 D= 3.14 H-ene= 0.75 Sym= (S-W) 185 64 CYS ( 64 ) C <> 131 NA ( 131 ) NA D= 3.48 H-ene= -- Sym= (B-B) 186 64 CYS ( 64 ) O <> 131 NA ( 131 ) NA D= 2.42 H-ene= -- Sym= (B-B) 187 64 CYS ( 64 ) O <> 133 HOH (HOH ) 135 D= 3.24 H-ene= 0.86 Sym= (B-W) 188 65 ASN ( 65 ) CA <> 131 NA ( 131 ) NA D= 3.89 H-ene= -- Sym= (B-B) 189 65 ASN ( 65 ) CA <> 133 HOH (HOH ) 135 D= 3.38 H-ene= -- Sym= (B-W) 190 65 ASN ( 65 ) CA <> 133 HOH (HOH ) 144 D= 3.35 H-ene= -- Sym= (B-W) 191 65 ASN ( 65 ) C <> 133 HOH (HOH ) 135 D= 3.62 H-ene= -- Sym= (B-W) 192 65 ASN ( 65 ) CB <> 133 HOH (HOH ) 144 D= 3.48 H-ene= -- Sym= (S-W) 193 65 ASN ( 65 ) CB <> 133 HOH (HOH ) 230 D= 3.68 H-ene= -- Sym= (S-W) 194 65 ASN ( 65 ) CG <> 133 HOH (HOH ) 144 D= 3.55 H-ene= -- Sym= (S-W) 195 65 ASN ( 65 ) CG <> 133 HOH (HOH ) 267 D= 3.42 H-ene= -- Sym= (S-W) 196 65 ASN ( 65 ) OD1 <> 133 HOH (HOH ) 144 D= 2.95 H-ene= 0.65 Sym= (S-W) 197 65 ASN ( 65 ) OD1 <> 133 HOH (HOH ) 267 D= 2.80 H-ene= 0.80 Sym= (S-W) 198 65 ASN ( 65 ) ND2 <> 133 HOH (HOH ) 148 D= 3.06 H-ene= 0.47 Sym= (S-W) 199 65 ASN ( 65 ) ND2 <> 133 HOH (HOH ) 230 D= 3.19 H-ene= 0.77 Sym= (S-W) 200 65 ASN ( 65 ) ND2 <> 133 HOH (HOH ) 267 D= 3.30 H-ene= 0.46 Sym= (S-W) 201 66 ASP ( 66 ) N <> 133 HOH (HOH ) 135 D= 2.92 H-ene= 0.88 Sym= (B-W) 202 66 ASP ( 66 ) OD1 <> 133 HOH (HOH ) 135 D= 2.93 H-ene= 0.68 Sym= (S-W) 203 66 ASP ( 66 ) OD2 <> 133 HOH (HOH ) 132 D= 2.79 H-ene= 0.82 Sym= (S-W) 204 67 GLY ( 67 ) CA <> 133 HOH (HOH ) 148 D= 3.42 H-ene= -- Sym= (B-W) 205 67 GLY ( 67 ) CA <> 133 HOH (HOH ) 267 D= 3.56 H-ene= -- Sym= (B-W) 206 67 GLY ( 67 ) O <> 133 HOH (HOH ) 191 D= 3.23 H-ene= 0.64 Sym= (B-W) 207 67 GLY ( 67 ) O <> 133 HOH (HOH ) 212 D= 3.03 H-ene= 0.76 Sym= (B-W) 208 68 ARG ( 68 ) N <> 133 HOH (HOH ) 133 D= 3.56 H-ene= -- Sym= (B-W) 209 68 ARG ( 68 ) O <> 133 HOH (HOH ) 207 D= 2.90 H-ene= 0.79 Sym= (B-W) 210 68 ARG ( 68 ) CG <> 133 HOH (HOH ) 132 D= 3.42 H-ene= -- Sym= (S-W) 211 68 ARG ( 68 ) CD <> 133 HOH (HOH ) 132 D= 3.66 H-ene= -- Sym= (S-W) 212 68 ARG ( 68 ) CD <> 133 HOH (HOH ) 165 D= 3.37 H-ene= -- Sym= (S-W) 213 68 ARG ( 68 ) NE <> 133 HOH (HOH ) 132 D= 2.91 H-ene= 0.78 Sym= (S-W) 214 68 ARG ( 68 ) NH1 <> 133 HOH (HOH ) 165 D= 2.82 H-ene= 0.72 Sym= (S-W) 215 68 ARG ( 68 ) NH2 <> 133 HOH (HOH ) 271 D= 3.46 H-ene= -- Sym= (S-W) 216 69 THR ( 69 ) N <> 133 HOH (HOH ) 133 D= 3.22 H-ene= 0.71 Sym= (B-W) 217 69 THR ( 69 ) C <> 133 HOH (HOH ) 133 D= 3.58 H-ene= -- Sym= (B-W) 218 69 THR ( 69 ) O <> 133 HOH (HOH ) 133 D= 3.15 H-ene= 0.49 Sym= (B-W) 219 69 THR ( 69 ) CB <> 133 HOH (HOH ) 135 D= 3.65 H-ene= -- Sym= (S-W) 220 69 THR ( 69 ) OG1 <> 133 HOH (HOH ) 132 D= 3.19 H-ene= 0.90 Sym= (S-W) 221 70 PRO ( 70 ) CD <> 133 HOH (HOH ) 207 D= 3.26 H-ene= -- Sym= (S-W) 222 71 GLY ( 71 ) N <> 133 HOH (HOH ) 272 D= 2.95 H-ene= -- Sym= (B-W) 223 71 GLY ( 71 ) CA <> 133 HOH (HOH ) 272 D= 3.69 H-ene= -- Sym= (B-W) 224 72 SER ( 72 ) C <> 131 NA ( 131 ) NA D= 3.89 H-ene= -- Sym= (B-B) 225 72 SER ( 72 ) CB <> 131 NA ( 131 ) NA D= 3.07 H-ene= -- Sym= (S-B) 226 72 SER ( 72 ) OG <> 131 NA ( 131 ) NA D= 2.25 H-ene= -- Sym= (S-B) 227 72 SER ( 72 ) N <> 133 HOH (HOH ) 187 D= 3.24 H-ene= 0.55 Sym= (B-W) 228 72 SER ( 72 ) O <> 133 HOH (HOH ) 187 D= 3.10 H-ene= 0.70 Sym= (B-W) 229 72 SER ( 72 ) OG <> 133 HOH (HOH ) 135 D= 2.95 H-ene= 0.97 Sym= (S-W) 230 72 SER ( 72 ) OG <> 133 HOH (HOH ) 144 D= 2.87 H-ene= 0.98 Sym= (S-W) 231 72 SER ( 72 ) OG <> 133 HOH (HOH ) 187 D= 3.12 H-ene= 0.90 Sym= (S-W) 232 73 ARG ( 73 ) N <> 131 NA ( 131 ) NA D= 3.92 H-ene= -- Sym= (B-B) 233 73 ARG ( 73 ) C <> 131 NA ( 131 ) NA D= 3.62 H-ene= -- Sym= (B-B) 234 73 ARG ( 73 ) O <> 131 NA ( 131 ) NA D= 2.56 H-ene= -- Sym= (B-B) 235 73 ARG ( 73 ) CB <> 133 HOH (HOH ) 262 D= 3.69 H-ene= -- Sym= (S-W) 236 73 ARG ( 73 ) CD <> 133 HOH (HOH ) 262 D= 3.65 H-ene= -- Sym= (S-W) 237 74 ASN ( 74 ) N <> 133 HOH (HOH ) 262 D= 3.19 H-ene= 0.82 Sym= (B-W) 238 74 ASN ( 74 ) C <> 133 HOH (HOH ) 221 D= 3.67 H-ene= -- Sym= (B-W) 239 74 ASN ( 74 ) O <> 133 HOH (HOH ) 221 D= 2.72 H-ene= 0.71 Sym= (B-W) 240 74 ASN ( 74 ) CB <> 133 HOH (HOH ) 234 D= 3.53 H-ene= -- Sym= (S-W) 241 74 ASN ( 74 ) CB <> 133 HOH (HOH ) 266 D= 3.54 H-ene= -- Sym= (S-W) 242 74 ASN ( 74 ) ND2 <> 133 HOH (HOH ) 226 D= 3.05 H-ene= 0.59 Sym= (S-W) 243 74 ASN ( 74 ) ND2 <> 133 HOH (HOH ) 234 D= 3.05 H-ene= 0.91 Sym= (S-W) 244 75 LEU ( 75 ) CD1 <> 133 HOH (HOH ) 261 D= 3.12 H-ene= -- Sym= (S-W) 245 76 CYS ( 76 ) C <> 133 HOH (HOH ) 257 D= 3.68 H-ene= -- Sym= (B-W) 246 76 CYS ( 76 ) O <> 133 HOH (HOH ) 151 D= 3.21 H-ene= 0.84 Sym= (B-W) 247 76 CYS ( 76 ) O <> 133 HOH (HOH ) 237 D= 3.01 H-ene= 0.76 Sym= (B-W) 248 76 CYS ( 76 ) O <> 133 HOH (HOH ) 257 D= 3.04 H-ene= 0.62 Sym= (B-W) 249 76 CYS ( 76 ) CB <> 133 HOH (HOH ) 151 D= 3.54 H-ene= -- Sym= (S-W) 250 77 ASN ( 77 ) C <> 133 HOH (HOH ) 226 D= 3.54 H-ene= -- Sym= (B-W) 251 77 ASN ( 77 ) O <> 133 HOH (HOH ) 237 D= 3.15 H-ene= 0.63 Sym= (B-W) 252 77 ASN ( 77 ) CG <> 133 HOH (HOH ) 221 D= 3.11 H-ene= -- Sym= (S-W) 253 77 ASN ( 77 ) OD1 <> 133 HOH (HOH ) 221 D= 3.10 H-ene= -- Sym= (S-W) 254 77 ASN ( 77 ) ND2 <> 133 HOH (HOH ) 221 D= 2.81 H-ene= 0.42 Sym= (S-W) 255 78 ILE ( 78 ) N <> 133 HOH (HOH ) 226 D= 3.39 H-ene= -- Sym= (B-W) 256 78 ILE ( 78 ) CA <> 133 HOH (HOH ) 226 D= 3.50 H-ene= -- Sym= (B-W) 257 78 ILE ( 78 ) C <> 133 HOH (HOH ) 226 D= 3.58 H-ene= -- Sym= (B-W) 258 78 ILE ( 78 ) CD1 <> 133 HOH (HOH ) 163 D= 3.65 H-ene= -- Sym= (S-W) 259 79 PRO ( 79 ) CA <> 133 HOH (HOH ) 230 D= 3.64 H-ene= -- Sym= (B-W) 260 79 PRO ( 79 ) CB <> 133 HOH (HOH ) 230 D= 3.56 H-ene= -- Sym= (S-W) 261 81 SER ( 81 ) O <> 133 HOH (HOH ) 219 D= 3.22 H-ene= 0.55 Sym= (B-W) 262 81 SER ( 81 ) CB <> 133 HOH (HOH ) 186 D= 3.47 H-ene= -- Sym= (S-W) 263 81 SER ( 81 ) CB <> 133 HOH (HOH ) 238 D= 3.49 H-ene= -- Sym= (S-W) 264 81 SER ( 81 ) OG <> 133 HOH (HOH ) 186 D= 2.64 H-ene= 0.92 Sym= (S-W) 265 81 SER ( 81 ) OG <> 133 HOH (HOH ) 238 D= 2.71 H-ene= 0.96 Sym= (S-W) 266 82 ALA ( 82 ) CA <> 133 HOH (HOH ) 239 D= 3.66 H-ene= -- Sym= (B-W) 267 82 ALA ( 82 ) C <> 133 HOH (HOH ) 176 D= 3.65 H-ene= -- Sym= (B-W) 268 82 ALA ( 82 ) O <> 133 HOH (HOH ) 137 D= 3.18 H-ene= 0.77 Sym= (B-W) 269 82 ALA ( 82 ) O <> 133 HOH (HOH ) 176 D= 2.81 H-ene= 1.00 Sym= (B-W) 270 82 ALA ( 82 ) CB <> 133 HOH (HOH ) 264 D= 3.52 H-ene= -- Sym= (S-W) 271 83 LEU ( 83 ) O <> 133 HOH (HOH ) 155 D= 2.68 H-ene= 0.59 Sym= (B-W) 272 85 SER ( 85 ) CA <> 133 HOH (HOH ) 243 D= 3.47 H-ene= -- Sym= (B-W) 273 85 SER ( 85 ) O <> 133 HOH (HOH ) 138 D= 2.67 H-ene= 0.72 Sym= (B-W) 274 85 SER ( 85 ) CB <> 133 HOH (HOH ) 176 D= 3.04 H-ene= -- Sym= (S-W) 275 85 SER ( 85 ) CB <> 133 HOH (HOH ) 240 D= 3.60 H-ene= -- Sym= (S-W) 276 85 SER ( 85 ) OG <> 133 HOH (HOH ) 240 D= 2.89 H-ene= 0.98 Sym= (S-W) 277 86 SER ( 86 ) N <> 133 HOH (HOH ) 243 D= 3.20 H-ene= 0.77 Sym= (B-W) 278 86 SER ( 86 ) C <> 133 HOH (HOH ) 227 D= 3.66 H-ene= -- Sym= (B-W) 279 86 SER ( 86 ) O <> 133 HOH (HOH ) 227 D= 2.66 H-ene= 0.63 Sym= (B-W) 280 87 ASP ( 87 ) C <> 133 HOH (HOH ) 138 D= 3.66 H-ene= -- Sym= (B-W) 281 87 ASP ( 87 ) C <> 133 HOH (HOH ) 150 D= 3.60 H-ene= -- Sym= (B-W) 282 87 ASP ( 87 ) O <> 133 HOH (HOH ) 137 D= 2.88 H-ene= 0.90 Sym= (B-W) 283 87 ASP ( 87 ) O <> 133 HOH (HOH ) 138 D= 3.16 H-ene= 0.53 Sym= (B-W) 284 87 ASP ( 87 ) O <> 133 HOH (HOH ) 150 D= 2.75 H-ene= 0.71 Sym= (B-W) 285 87 ASP ( 87 ) CG <> 133 HOH (HOH ) 206 D= 3.60 H-ene= -- Sym= (S-W) 286 87 ASP ( 87 ) OD2 <> 133 HOH (HOH ) 206 D= 2.94 H-ene= 0.73 Sym= (S-W) 287 88 ILE ( 88 ) N <> 133 HOH (HOH ) 164 D= 3.28 H-ene= 0.73 Sym= (B-W) 288 88 ILE ( 88 ) CA <> 133 HOH (HOH ) 137 D= 3.63 H-ene= -- Sym= (B-W) 289 88 ILE ( 88 ) CA <> 133 HOH (HOH ) 138 D= 3.26 H-ene= -- Sym= (B-W) 290 88 ILE ( 88 ) C <> 133 HOH (HOH ) 137 D= 3.61 H-ene= -- Sym= (B-W) 291 88 ILE ( 88 ) CG1 <> 133 HOH (HOH ) 164 D= 3.62 H-ene= -- Sym= (S-W) 292 88 ILE ( 88 ) CG2 <> 133 HOH (HOH ) 138 D= 3.64 H-ene= -- Sym= (S-W) 293 89 THR ( 89 ) N <> 133 HOH (HOH ) 150 D= 3.56 H-ene= -- Sym= (B-W) 294 89 THR ( 89 ) CB <> 133 HOH (HOH ) 206 D= 3.59 H-ene= -- Sym= (S-W) 295 89 THR ( 89 ) OG1 <> 133 HOH (HOH ) 206 D= 2.97 H-ene= 0.97 Sym= (S-W) 296 89 THR ( 89 ) OG1 <> 133 HOH (HOH ) 259 D= 2.95 H-ene= 0.97 Sym= (S-W) 297 89 THR ( 89 ) CG2 <> 133 HOH (HOH ) 197 D= 3.59 H-ene= -- Sym= (S-W) 298 89 THR ( 89 ) CG2 <> 133 HOH (HOH ) 258 D= 3.53 H-ene= -- Sym= (S-W) 299 89 THR ( 89 ) CG2 <> 133 HOH (HOH ) 259 D= 3.64 H-ene= -- Sym= (S-W) 300 90 ALA ( 90 ) N <> 133 HOH (HOH ) 137 D= 3.52 H-ene= -- Sym= (B-W) 301 90 ALA ( 90 ) N <> 133 HOH (HOH ) 150 D= 3.00 H-ene= 0.83 Sym= (B-W) 302 90 ALA ( 90 ) CA <> 133 HOH (HOH ) 195 D= 3.68 H-ene= -- Sym= (B-W) 303 90 ALA ( 90 ) O <> 133 HOH (HOH ) 163 D= 2.96 H-ene= 0.94 Sym= (B-W) 304 90 ALA ( 90 ) CB <> 133 HOH (HOH ) 137 D= 3.49 H-ene= -- Sym= (S-W) 305 90 ALA ( 90 ) CB <> 133 HOH (HOH ) 150 D= 3.53 H-ene= -- Sym= (S-W) 306 91 SER ( 91 ) N <> 133 HOH (HOH ) 137 D= 3.05 H-ene= 0.66 Sym= (B-W) 307 91 SER ( 91 ) CB <> 133 HOH (HOH ) 137 D= 3.66 H-ene= -- Sym= (S-W) 308 91 SER ( 91 ) CB <> 133 HOH (HOH ) 142 D= 3.60 H-ene= -- Sym= (S-W) 309 91 SER ( 91 ) OG <> 133 HOH (HOH ) 142 D= 2.85 H-ene= 0.98 Sym= (S-W) 310 91 SER ( 91 ) OG <> 133 HOH (HOH ) 155 D= 2.89 H-ene= 0.98 Sym= (S-W) 311 93 ASN ( 93 ) C <> 133 HOH (HOH ) 189 D= 3.54 H-ene= -- Sym= (B-W) 312 93 ASN ( 93 ) O <> 133 HOH (HOH ) 189 D= 2.70 H-ene= 0.83 Sym= (B-W) 313 93 ASN ( 93 ) CB <> 133 HOH (HOH ) 195 D= 3.66 H-ene= -- Sym= (S-W) 314 93 ASN ( 93 ) CG <> 133 HOH (HOH ) 197 D= 3.65 H-ene= -- Sym= (S-W) 315 93 ASN ( 93 ) ND2 <> 133 HOH (HOH ) 195 D= 3.00 H-ene= 0.83 Sym= (S-W) 316 93 ASN ( 93 ) ND2 <> 133 HOH (HOH ) 197 D= 2.99 H-ene= 0.78 Sym= (S-W) 317 96 LYS ( 96 ) CE <> 133 HOH (HOH ) 205 D= 3.48 H-ene= -- Sym= (S-W) 318 96 LYS ( 96 ) NZ <> 133 HOH (HOH ) 205 D= 2.74 H-ene= 0.78 Sym= (S-W) 319 97 LYS ( 97 ) CA <> 133 HOH (HOH ) 252 D= 3.69 H-ene= -- Sym= (B-W) 320 97 LYS ( 97 ) O <> 133 HOH (HOH ) 229 D= 2.87 H-ene= 0.87 Sym= (B-W) 321 97 LYS ( 97 ) CE <> 133 HOH (HOH ) 257 D= 3.22 H-ene= -- Sym= (S-W) 322 97 LYS ( 97 ) NZ <> 133 HOH (HOH ) 151 D= 2.60 H-ene= 0.71 Sym= (S-W) 323 97 LYS ( 97 ) NZ <> 133 HOH (HOH ) 189 D= 3.46 H-ene= 0.75 Sym= (S-W) 324 97 LYS ( 97 ) NZ <> 133 HOH (HOH ) 257 D= 2.91 H-ene= 0.61 Sym= (S-W) 325 98 ILE ( 98 ) O <> 133 HOH (HOH ) 149 D= 2.93 H-ene= 0.72 Sym= (B-W) 326 99 VAL ( 99 ) O <> 133 HOH (HOH ) 225 D= 2.80 H-ene= 0.76 Sym= (B-W) 327 101 ASP ( 101 ) OD1 <> 133 HOH (HOH ) 261 D= 2.81 H-ene= 0.79 Sym= (S-W) 328 101 ASP ( 101 ) OD2 <> 133 HOH (HOH ) 194 D= 2.92 H-ene= 0.94 Sym= (S-W) 329 102 GLY ( 102 ) N <> 133 HOH (HOH ) 225 D= 3.59 H-ene= 0.28 Sym= (B-W) 330 102 GLY ( 102 ) O <> 133 HOH (HOH ) 192 D= 2.83 H-ene= 0.76 Sym= (B-W) 331 103 ASN ( 103 ) N <> 133 HOH (HOH ) 149 D= 3.44 H-ene= 0.36 Sym= (B-W) 332 103 ASN ( 103 ) CA <> 133 HOH (HOH ) 149 D= 3.68 H-ene= -- Sym= (B-W) 333 103 ASN ( 103 ) C <> 133 HOH (HOH ) 149 D= 3.55 H-ene= -- Sym= (B-W) 334 103 ASN ( 103 ) CB <> 133 HOH (HOH ) 149 D= 3.60 H-ene= -- Sym= (S-W) 335 103 ASN ( 103 ) ND2 <> 133 HOH (HOH ) 194 D= 2.86 H-ene= 0.87 Sym= (S-W) 336 104 GLY ( 104 ) N <> 133 HOH (HOH ) 149 D= 3.31 H-ene= -- Sym= (B-W) 337 104 GLY ( 104 ) N <> 133 HOH (HOH ) 225 D= 3.36 H-ene= 0.32 Sym= (B-W) 338 104 GLY ( 104 ) CA <> 133 HOH (HOH ) 225 D= 3.60 H-ene= -- Sym= (B-W) 339 104 GLY ( 104 ) O <> 133 HOH (HOH ) 149 D= 2.84 H-ene= 0.95 Sym= (B-W) 340 107 ALA ( 107 ) C <> 133 HOH (HOH ) 153 D= 3.60 H-ene= -- Sym= (B-W) 341 107 ALA ( 107 ) C <> 133 HOH (HOH ) 235 D= 3.63 H-ene= -- Sym= (B-W) 342 107 ALA ( 107 ) O <> 133 HOH (HOH ) 153 D= 3.06 H-ene= 0.58 Sym= (B-W) 343 107 ALA ( 107 ) O <> 133 HOH (HOH ) 158 D= 3.06 H-ene= 0.89 Sym= (B-W) 344 107 ALA ( 107 ) O <> 133 HOH (HOH ) 235 D= 2.73 H-ene= 0.97 Sym= (B-W) 345 107 ALA ( 107 ) CB <> 133 HOH (HOH ) 149 D= 3.41 H-ene= -- Sym= (S-W) 346 108 TRP ( 108 ) CA <> 133 HOH (HOH ) 158 D= 3.47 H-ene= -- Sym= (B-W) 347 108 TRP ( 108 ) C <> 133 HOH (HOH ) 158 D= 3.64 H-ene= -- Sym= (B-W) 348 108 TRP ( 108 ) CD1 <> 133 HOH (HOH ) 153 D= 3.37 H-ene= -- Sym= (S-W) 349 108 TRP ( 108 ) NE1 <> 133 HOH (HOH ) 153 D= 3.31 H-ene= -- Sym= (S-W) 350 108 TRP ( 108 ) CE2 <> 133 HOH (HOH ) 153 D= 3.59 H-ene= -- Sym= (S-W) 351 109 VAL ( 109 ) N <> 133 HOH (HOH ) 158 D= 2.85 H-ene= 0.93 Sym= (B-W) 352 109 VAL ( 109 ) CB <> 133 HOH (HOH ) 158 D= 3.62 H-ene= -- Sym= (S-W) 353 109 VAL ( 109 ) CG2 <> 133 HOH (HOH ) 158 D= 3.25 H-ene= -- Sym= (S-W) 354 110 ALA ( 110 ) CB <> 133 HOH (HOH ) 200 D= 3.56 H-ene= -- Sym= (S-W) 355 111 TRP ( 111 ) CZ2 <> 133 HOH (HOH ) 159 D= 3.62 H-ene= -- Sym= (S-W) 356 112 ARG ( 112 ) O <> 133 HOH (HOH ) 217 D= 2.85 H-ene= 0.64 Sym= (B-W) 357 113 ASN ( 113 ) C <> 133 HOH (HOH ) 136 D= 3.38 H-ene= -- Sym= (B-W) 358 113 ASN ( 113 ) O <> 133 HOH (HOH ) 136 D= 3.16 H-ene= -- Sym= (B-W) 359 113 ASN ( 113 ) OD1 <> 133 HOH (HOH ) 201 D= 3.19 H-ene= 0.76 Sym= (S-W) 360 114 ARG ( 114 ) N <> 133 HOH (HOH ) 136 D= 3.59 H-ene= -- Sym= (B-W) 361 114 ARG ( 114 ) C <> 133 HOH (HOH ) 136 D= 3.69 H-ene= -- Sym= (B-W) 362 114 ARG ( 114 ) O <> 133 HOH (HOH ) 154 D= 2.82 H-ene= 0.90 Sym= (B-W) 363 114 ARG ( 114 ) CB <> 133 HOH (HOH ) 161 D= 3.64 H-ene= -- Sym= (S-W) 364 114 ARG ( 114 ) NE <> 133 HOH (HOH ) 161 D= 2.97 H-ene= 0.94 Sym= (S-W) 365 114 ARG ( 114 ) CZ <> 133 HOH (HOH ) 147 D= 3.59 H-ene= -- Sym= (S-W) 366 114 ARG ( 114 ) NH1 <> 133 HOH (HOH ) 147 D= 3.47 H-ene= 0.38 Sym= (S-W) 367 114 ARG ( 114 ) NH2 <> 133 HOH (HOH ) 147 D= 2.84 H-ene= 0.87 Sym= (S-W) 368 114 ARG ( 114 ) NH2 <> 133 HOH (HOH ) 161 D= 3.57 H-ene= 0.38 Sym= (S-W) 369 116 LYS ( 116 ) O <> 133 HOH (HOH ) 136 D= 2.72 H-ene= 0.88 Sym= (B-W) 370 116 LYS ( 116 ) O <> 133 HOH (HOH ) 196 D= 2.71 H-ene= 0.87 Sym= (B-W) 371 116 LYS ( 116 ) CD <> 133 HOH (HOH ) 172 D= 3.28 H-ene= -- Sym= (S-W) 372 116 LYS ( 116 ) CE <> 133 HOH (HOH ) 172 D= 3.18 H-ene= -- Sym= (S-W) 373 116 LYS ( 116 ) NZ <> 133 HOH (HOH ) 172 D= 2.76 H-ene= 0.65 Sym= (S-W) 374 116 LYS ( 116 ) NZ <> 133 HOH (HOH ) 211 D= 2.88 H-ene= 0.32 Sym= (S-W) 375 117 GLY ( 117 ) N <> 133 HOH (HOH ) 159 D= 3.45 H-ene= 0.65 Sym= (B-W) 376 117 GLY ( 117 ) N <> 133 HOH (HOH ) 185 D= 3.38 H-ene= 0.19 Sym= (B-W) 377 117 GLY ( 117 ) CA <> 133 HOH (HOH ) 174 D= 3.37 H-ene= -- Sym= (B-W) 378 117 GLY ( 117 ) CA <> 133 HOH (HOH ) 185 D= 3.52 H-ene= -- Sym= (B-W) 379 117 GLY ( 117 ) CA <> 133 HOH (HOH ) 196 D= 3.66 H-ene= -- Sym= (B-W) 380 117 GLY ( 117 ) C <> 133 HOH (HOH ) 185 D= 3.65 H-ene= -- Sym= (B-W) 381 117 GLY ( 117 ) C <> 133 HOH (HOH ) 196 D= 3.59 H-ene= -- Sym= (B-W) 382 118 THR ( 118 ) N <> 133 HOH (HOH ) 185 D= 3.48 H-ene= -- Sym= (B-W) 383 118 THR ( 118 ) CA <> 133 HOH (HOH ) 203 D= 3.41 H-ene= -- Sym= (B-W) 384 118 THR ( 118 ) C <> 133 HOH (HOH ) 203 D= 3.63 H-ene= -- Sym= (B-W) 385 118 THR ( 118 ) O <> 133 HOH (HOH ) 185 D= 2.78 H-ene= 0.84 Sym= (B-W) 386 118 THR ( 118 ) CB <> 133 HOH (HOH ) 157 D= 3.57 H-ene= -- Sym= (S-W) 387 118 THR ( 118 ) CB <> 133 HOH (HOH ) 203 D= 3.50 H-ene= -- Sym= (S-W) 388 118 THR ( 118 ) OG1 <> 133 HOH (HOH ) 157 D= 2.78 H-ene= 0.96 Sym= (S-W) 389 119 ASP ( 119 ) N <> 133 HOH (HOH ) 203 D= 2.94 H-ene= 0.73 Sym= (B-W) 390 119 ASP ( 119 ) CA <> 133 HOH (HOH ) 242 D= 3.55 H-ene= -- Sym= (B-W) 391 119 ASP ( 119 ) C <> 133 HOH (HOH ) 184 D= 3.50 H-ene= -- Sym= (B-W) 392 119 ASP ( 119 ) C <> 133 HOH (HOH ) 242 D= 3.44 H-ene= -- Sym= (B-W) 393 119 ASP ( 119 ) O <> 133 HOH (HOH ) 184 D= 2.63 H-ene= 0.68 Sym= (B-W) 394 119 ASP ( 119 ) OD1 <> 133 HOH (HOH ) 242 D= 2.78 H-ene= 0.81 Sym= (S-W) 395 120 VAL ( 120 ) N <> 133 HOH (HOH ) 242 D= 3.08 H-ene= 0.30 Sym= (B-W) 396 120 VAL ( 120 ) CG2 <> 133 HOH (HOH ) 162 D= 3.45 H-ene= -- Sym= (S-W) 397 120 VAL ( 120 ) CG2 <> 133 HOH (HOH ) 241 D= 3.62 H-ene= -- Sym= (S-W) 398 121 GLN ( 121 ) N <> 133 HOH (HOH ) 242 D= 2.90 H-ene= 0.78 Sym= (B-W) 399 121 GLN ( 121 ) CA <> 133 HOH (HOH ) 143 D= 3.55 H-ene= -- Sym= (B-W) 400 121 GLN ( 121 ) CA <> 133 HOH (HOH ) 242 D= 3.70 H-ene= -- Sym= (B-W) 401 121 GLN ( 121 ) CB <> 133 HOH (HOH ) 242 D= 3.31 H-ene= -- Sym= (S-W) 402 122 ALA ( 122 ) CB <> 133 HOH (HOH ) 184 D= 3.59 H-ene= -- Sym= (S-W) 403 123 TRP ( 123 ) CD1 <> 133 HOH (HOH ) 157 D= 3.59 H-ene= -- Sym= (S-W) 404 123 TRP ( 123 ) NE1 <> 133 HOH (HOH ) 157 D= 2.83 H-ene= 0.73 Sym= (S-W) 405 124 ILE ( 124 ) O <> 133 HOH (HOH ) 179 D= 3.22 H-ene= 0.57 Sym= (B-W) 406 124 ILE ( 124 ) CD1 <> 133 HOH (HOH ) 143 D= 3.62 H-ene= -- Sym= (S-W) 407 125 ARG ( 125 ) NH1 <> 133 HOH (HOH ) 251 D= 3.46 H-ene= 0.70 Sym= (S-W) 408 127 CYS ( 127 ) O <> 133 HOH (HOH ) 179 D= 2.79 H-ene= 0.82 Sym= (B-W) 409 127 CYS ( 127 ) O <> 133 HOH (HOH ) 213 D= 3.19 H-ene= 0.84 Sym= (B-W) 410 128 ARG ( 128 ) CA <> 133 HOH (HOH ) 213 D= 3.50 H-ene= -- Sym= (B-W) 411 128 ARG ( 128 ) C <> 133 HOH (HOH ) 260 D= 3.26 H-ene= -- Sym= (B-W) 412 128 ARG ( 128 ) O <> 133 HOH (HOH ) 182 D= 2.88 H-ene= 0.72 Sym= (B-W) 413 128 ARG ( 128 ) O <> 133 HOH (HOH ) 260 D= 2.71 H-ene= 0.61 Sym= (B-W) 414 128 ARG ( 128 ) CG <> 133 HOH (HOH ) 248 D= 3.65 H-ene= -- Sym= (S-W) 415 128 ARG ( 128 ) CD <> 133 HOH (HOH ) 248 D= 2.74 H-ene= -- Sym= (S-W) 416 128 ARG ( 128 ) NH1 <> 133 HOH (HOH ) 248 D= 3.23 H-ene= 0.77 Sym= (S-W) 417 129 LEU ( 129 ) N <> 132 LEU ( OXT ) O2 D= 3.27 H-ene= -- Sym= (B-B) 418 129 LEU ( 129 ) CB <> 132 LEU ( OXT ) O2 D= 2.85 H-ene= -- Sym= (S-B) 419 129 LEU ( 129 ) N <> 133 HOH (HOH ) 213 D= 3.00 H-ene= 0.83 Sym= (B-W) 420 129 LEU ( 129 ) CA <> 133 HOH (HOH ) 260 D= 3.62 H-ene= -- Sym= (B-W) 421 129 LEU ( 129 ) C <> 133 HOH (HOH ) 260 D= 3.34 H-ene= -- Sym= (B-W) 422 129 LEU ( 129 ) O <> 133 HOH (HOH ) 260 D= 2.66 H-ene= 0.67 Sym= (B-W) 423 129 LEU ( 129 ) CD1 <> 133 HOH (HOH ) 182 D= 3.55 H-ene= -- Sym= (S-W) 424 129 LEU ( 129 ) CD2 <> 133 HOH (HOH ) 179 D= 3.27 H-ene= -- Sym= (S-W)
(C) G.V. 03-Aug-98