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smoke.pdb
CHANGED
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@@ -1,272 +1,272 @@
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| 1 |
-
ATOM 1 N MET A 1
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| 2 |
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ATOM 2 CA MET A 1
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| 3 |
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ATOM 3 C MET A 1
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| 4 |
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ATOM 4 O MET A 1
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| 5 |
-
ATOM 5 CB MET A 1
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| 6 |
-
ATOM 6 CG MET A 1
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| 7 |
-
ATOM 7 SD MET A 1
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| 8 |
-
ATOM 8 CE MET A 1
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| 9 |
-
ATOM 9 N LYS A 2
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| 10 |
-
ATOM 10 CA LYS A 2
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| 11 |
-
ATOM 11 C LYS A 2
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| 12 |
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ATOM 12 O LYS A 2
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| 13 |
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ATOM 13 CB LYS A 2
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| 14 |
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ATOM 14 CG LYS A 2
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| 15 |
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ATOM 15 CD LYS A 2
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| 16 |
-
ATOM 16 CE LYS A 2
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| 17 |
-
ATOM 17 NZ LYS A 2
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| 18 |
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ATOM 18 N THR A 3
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| 19 |
-
ATOM 19 CA THR A 3
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| 20 |
-
ATOM 20 C THR A 3
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| 21 |
-
ATOM 21 O THR A 3
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| 22 |
-
ATOM 22 CB THR A 3
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| 23 |
-
ATOM 23 OG1 THR A 3
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| 24 |
-
ATOM 24 CG2 THR A 3
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| 25 |
-
ATOM 25 N ALA A 4
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| 26 |
-
ATOM 26 CA ALA A 4
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| 27 |
-
ATOM 27 C ALA A 4
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| 28 |
-
ATOM 28 O ALA A 4
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| 29 |
-
ATOM 29 CB ALA A 4
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| 30 |
-
ATOM 30 N TYR A 5
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| 31 |
-
ATOM 31 CA TYR A 5
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| 32 |
-
ATOM 32 C TYR A 5
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| 33 |
-
ATOM 33 O TYR A 5
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| 34 |
-
ATOM 34 CB TYR A 5
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| 35 |
-
ATOM 35 CG TYR A 5
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| 36 |
-
ATOM 36 CD1 TYR A 5
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| 37 |
-
ATOM 37 CD2 TYR A 5
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| 38 |
-
ATOM 38 CE1 TYR A 5
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| 39 |
-
ATOM 39 CE2 TYR A 5
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| 40 |
-
ATOM 40 CZ TYR A 5
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| 41 |
-
ATOM 41 OH TYR A 5 -
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| 42 |
-
ATOM 42 N ILE A 6
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| 43 |
-
ATOM 43 CA ILE A 6
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| 44 |
-
ATOM 44 C ILE A 6
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| 45 |
-
ATOM 45 O ILE A 6
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| 46 |
-
ATOM 46 CB ILE A 6
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| 47 |
-
ATOM 47 CG1 ILE A 6
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| 48 |
-
ATOM 48 CG2 ILE A 6
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| 49 |
-
ATOM 49 CD1 ILE A 6
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| 50 |
-
ATOM 50 N ALA A 7
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| 51 |
-
ATOM 51 CA ALA A 7
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| 52 |
-
ATOM 52 C ALA A 7
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| 53 |
-
ATOM 53 O ALA A 7
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| 54 |
-
ATOM 54 CB ALA A 7
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| 55 |
-
ATOM 55 N LYS A 8
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| 56 |
-
ATOM 56 CA LYS A 8
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| 57 |
-
ATOM 57 C LYS A 8
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| 58 |
-
ATOM 58 O LYS A 8
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| 59 |
-
ATOM 59 CB LYS A 8
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| 60 |
-
ATOM 60 CG LYS A 8
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| 61 |
-
ATOM 61 CD LYS A 8
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| 62 |
-
ATOM 62 CE LYS A 8
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| 63 |
-
ATOM 63 NZ LYS A 8
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| 64 |
-
ATOM 64 N GLN A 9
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| 65 |
-
ATOM 65 CA GLN A 9
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| 66 |
-
ATOM 66 C GLN A 9
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| 67 |
-
ATOM 67 O GLN A 9 -
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| 68 |
-
ATOM 68 CB GLN A 9
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| 69 |
-
ATOM 69 CG GLN A 9
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| 70 |
-
ATOM 70 CD GLN A 9
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| 71 |
-
ATOM 71 OE1 GLN A 9 -
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| 72 |
-
ATOM 72 NE2 GLN A 9
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| 73 |
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ATOM 73 N ARG A 10
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| 74 |
-
ATOM 74 CA ARG A 10
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| 75 |
-
ATOM 75 C ARG A 10
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| 76 |
-
ATOM 76 O ARG A 10
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| 77 |
-
ATOM 77 CB ARG A 10
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| 78 |
-
ATOM 78 CG ARG A 10
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| 79 |
-
ATOM 79 CD ARG A 10
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| 80 |
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ATOM 80 NE ARG A 10
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| 81 |
-
ATOM 81 CZ ARG A 10
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| 82 |
-
ATOM 82 NH1 ARG A 10
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| 83 |
-
ATOM 83 NH2 ARG A 10
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| 84 |
-
ATOM 84 N GLN A 11
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| 85 |
-
ATOM 85 CA GLN A 11
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| 86 |
-
ATOM 86 C GLN A 11
|
| 87 |
-
ATOM 87 O GLN A 11
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| 88 |
-
ATOM 88 CB GLN A 11
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| 89 |
-
ATOM 89 CG GLN A 11
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| 90 |
-
ATOM 90 CD GLN A 11
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| 91 |
-
ATOM 91 OE1 GLN A 11
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| 92 |
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ATOM 92 NE2 GLN A 11
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| 93 |
-
ATOM 93 N ILE A 12
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| 94 |
-
ATOM 94 CA ILE A 12
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| 95 |
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ATOM 95 C ILE A 12 -
|
| 96 |
-
ATOM 96 O ILE A 12 -1.
|
| 97 |
-
ATOM 97 CB ILE A 12
|
| 98 |
-
ATOM 98 CG1 ILE A 12
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| 99 |
-
ATOM 99 CG2 ILE A 12 -
|
| 100 |
-
ATOM 100 CD1 ILE A 12
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| 101 |
-
ATOM 101 N SER A 13 -
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| 102 |
-
ATOM 102 CA SER A 13 -2.
|
| 103 |
-
ATOM 103 C SER A 13 -
|
| 104 |
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ATOM 104 O SER A 13 -
|
| 105 |
-
ATOM 105 CB SER A 13 -2.
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| 106 |
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ATOM 106 OG SER A 13 -
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| 107 |
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ATOM 107 N PHE A 14 -
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| 108 |
-
ATOM 108 CA PHE A 14
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| 109 |
-
ATOM 109 C PHE A 14 -
|
| 110 |
-
ATOM 110 O PHE A 14
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| 111 |
-
ATOM 111 CB PHE A 14
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| 112 |
-
ATOM 112 CG PHE A 14
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| 113 |
-
ATOM 113 CD1 PHE A 14
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| 114 |
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ATOM 114 CD2 PHE A 14
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| 115 |
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ATOM 115 CE1 PHE A 14
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| 116 |
-
ATOM 116 CE2 PHE A 14
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| 117 |
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ATOM 117 CZ PHE A 14
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| 118 |
-
ATOM 118 N VAL A 15 -
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| 119 |
-
ATOM 119 CA VAL A 15 -
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| 120 |
-
ATOM 120 C VAL A 15 -2.
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| 121 |
-
ATOM 121 O VAL A 15 -2.
|
| 122 |
-
ATOM 122 CB VAL A 15
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| 123 |
-
ATOM 123 CG1 VAL A 15 -
|
| 124 |
-
ATOM 124 CG2 VAL A 15
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| 125 |
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ATOM 125 N LYS A 16 -2.
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| 126 |
-
ATOM 126 CA LYS A 16 -
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| 127 |
-
ATOM 127 C LYS A 16 -
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| 128 |
-
ATOM 128 O LYS A 16 -
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| 129 |
-
ATOM 129 CB LYS A 16 -
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| 130 |
-
ATOM 130 CG LYS A 16 -
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| 131 |
-
ATOM 131 CD LYS A 16 -
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| 132 |
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ATOM 132 CE LYS A 16 -
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| 133 |
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ATOM 133 NZ LYS A 16 -
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| 134 |
-
ATOM 134 N GLN A 17 -
|
| 135 |
-
ATOM 135 CA GLN A 17
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| 136 |
-
ATOM 136 C GLN A 17
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| 137 |
-
ATOM 137 O GLN A 17
|
| 138 |
-
ATOM 138 CB GLN A 17
|
| 139 |
-
ATOM 139 CG GLN A 17
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| 140 |
-
ATOM 140 CD GLN A 17
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| 141 |
-
ATOM 141 OE1 GLN A 17
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| 142 |
-
ATOM 142 NE2 GLN A 17
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| 143 |
-
ATOM 143 N ILE A 18
|
| 144 |
-
ATOM 144 CA ILE A 18
|
| 145 |
-
ATOM 145 C ILE A 18
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| 146 |
-
ATOM 146 O ILE A 18
|
| 147 |
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ATOM 147 CB ILE A 18
|
| 148 |
-
ATOM 148 CG1 ILE A 18
|
| 149 |
-
ATOM 149 CG2 ILE A 18
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| 150 |
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ATOM 150 CD1 ILE A 18
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| 151 |
-
ATOM 151 N PHE A 19 -
|
| 152 |
-
ATOM 152 CA PHE A 19 -
|
| 153 |
-
ATOM 153 C PHE A 19 -
|
| 154 |
-
ATOM 154 O PHE A 19 -
|
| 155 |
-
ATOM 155 CB PHE A 19 -
|
| 156 |
-
ATOM 156 CG PHE A 19 -4.
|
| 157 |
-
ATOM 157 CD1 PHE A 19 -5.
|
| 158 |
-
ATOM 158 CD2 PHE A 19 -
|
| 159 |
-
ATOM 159 CE1 PHE A 19 -
|
| 160 |
-
ATOM 160 CE2 PHE A 19 -
|
| 161 |
-
ATOM 161 CZ PHE A 19 -
|
| 162 |
-
ATOM 162 N ASN A 20 -
|
| 163 |
-
ATOM 163 CA ASN A 20 -
|
| 164 |
-
ATOM 164 C ASN A 20 -
|
| 165 |
-
ATOM 165 O ASN A 20
|
| 166 |
-
ATOM 166 CB ASN A 20 -
|
| 167 |
-
ATOM 167 CG ASN A 20 -
|
| 168 |
-
ATOM 168 OD1 ASN A 20 -
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| 169 |
-
ATOM 169 ND2 ASN A 20 -
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| 170 |
-
ATOM 170 N ALA A 21
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| 171 |
-
ATOM 171 CA ALA A 21
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| 172 |
-
ATOM 172 C ALA A 21
|
| 173 |
-
ATOM 173 O ALA A 21
|
| 174 |
-
ATOM 174 CB ALA A 21
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| 175 |
-
ATOM 175 N THR A 22
|
| 176 |
-
ATOM 176 CA THR A 22
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| 177 |
-
ATOM 177 C THR A 22 -9.
|
| 178 |
-
ATOM 178 O THR A 22 -9.
|
| 179 |
-
ATOM 179 CB THR A 22 -6.
|
| 180 |
-
ATOM 180 OG1 THR A 22
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| 181 |
-
ATOM 181 CG2 THR A 22 -6.
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| 182 |
-
ATOM 182 N LYS A 23 -9.
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| 183 |
-
ATOM 183 CA LYS A 23
|
| 184 |
-
ATOM 184 C LYS A 23
|
| 185 |
-
ATOM 185 O LYS A 23
|
| 186 |
-
ATOM 186 CB LYS A 23
|
| 187 |
-
ATOM 187 CG LYS A 23 -
|
| 188 |
-
ATOM 188 CD LYS A 23
|
| 189 |
-
ATOM 189 CE LYS A 23 -
|
| 190 |
-
ATOM 190 NZ LYS A 23 -
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| 191 |
-
ATOM 191 N PHE A 24
|
| 192 |
-
ATOM 192 CA PHE A 24
|
| 193 |
-
ATOM 193 C PHE A 24
|
| 194 |
-
ATOM 194 O PHE A 24
|
| 195 |
-
ATOM 195 CB PHE A 24
|
| 196 |
-
ATOM 196 CG PHE A 24
|
| 197 |
-
ATOM 197 CD1 PHE A 24
|
| 198 |
-
ATOM 198 CD2 PHE A 24
|
| 199 |
-
ATOM 199 CE1 PHE A 24
|
| 200 |
-
ATOM 200 CE2 PHE A 24
|
| 201 |
-
ATOM 201 CZ PHE A 24
|
| 202 |
-
ATOM 202 N GLU A 25
|
| 203 |
-
ATOM 203 CA GLU A 25
|
| 204 |
-
ATOM 204 C GLU A 25
|
| 205 |
-
ATOM 205 O GLU A 25
|
| 206 |
-
ATOM 206 CB GLU A 25
|
| 207 |
-
ATOM 207 CG GLU A 25
|
| 208 |
-
ATOM 208 CD GLU A 25
|
| 209 |
-
ATOM 209 OE1 GLU A 25
|
| 210 |
-
ATOM 210 OE2 GLU A 25
|
| 211 |
TER 211 GLU A 25
|
| 212 |
-
ATOM 212 N GLY B 1
|
| 213 |
-
ATOM 213 CA GLY B 1
|
| 214 |
-
ATOM 214 C GLY B 1
|
| 215 |
-
ATOM 215 O GLY B 1
|
| 216 |
-
ATOM 216 N SER B 2
|
| 217 |
-
ATOM 217 CA SER B 2
|
| 218 |
-
ATOM 218 C SER B 2
|
| 219 |
-
ATOM 219 O SER B 2
|
| 220 |
-
ATOM 220 CB SER B 2
|
| 221 |
-
ATOM 221 OG SER B 2
|
| 222 |
-
ATOM 222 N VAL B 3 0.
|
| 223 |
-
ATOM 223 CA VAL B 3
|
| 224 |
-
ATOM 224 C VAL B 3
|
| 225 |
-
ATOM 225 O VAL B 3 3.
|
| 226 |
-
ATOM 226 CB VAL B 3
|
| 227 |
-
ATOM 227 CG1 VAL B 3
|
| 228 |
-
ATOM 228 CG2 VAL B 3
|
| 229 |
-
ATOM 229 N GLN B 4
|
| 230 |
-
ATOM 230 CA GLN B 4
|
| 231 |
-
ATOM 231 C GLN B 4
|
| 232 |
-
ATOM 232 O GLN B 4
|
| 233 |
-
ATOM 233 CB GLN B 4
|
| 234 |
-
ATOM 234 CG GLN B 4
|
| 235 |
-
ATOM 235 CD GLN B 4
|
| 236 |
-
ATOM 236 OE1 GLN B 4
|
| 237 |
-
ATOM 237 NE2 GLN B 4
|
| 238 |
-
ATOM 238 N ILE B 5
|
| 239 |
-
ATOM 239 CA ILE B 5
|
| 240 |
-
ATOM 240 C ILE B 5 6.
|
| 241 |
-
ATOM 241 O ILE B 5 7.
|
| 242 |
-
ATOM 242 CB ILE B 5 5.
|
| 243 |
-
ATOM 243 CG1 ILE B 5 4.
|
| 244 |
-
ATOM 244 CG2 ILE B 5
|
| 245 |
-
ATOM 245 CD1 ILE B 5
|
| 246 |
-
ATOM 246 N VAL B 6
|
| 247 |
-
ATOM 247 CA VAL B 6 6.
|
| 248 |
-
ATOM 248 C VAL B 6
|
| 249 |
-
ATOM 249 O VAL B 6
|
| 250 |
-
ATOM 250 CB VAL B 6
|
| 251 |
-
ATOM 251 CG1 VAL B 6
|
| 252 |
-
ATOM 252 CG2 VAL B 6
|
| 253 |
-
ATOM 253 N LYS B 7
|
| 254 |
-
ATOM 254 CA LYS B 7
|
| 255 |
-
ATOM 255 C LYS B 7
|
| 256 |
-
ATOM 256 O LYS B 7
|
| 257 |
-
ATOM 257 CB LYS B 7
|
| 258 |
-
ATOM 258 CG LYS B 7
|
| 259 |
-
ATOM 259 CD LYS B 7
|
| 260 |
-
ATOM 260 CE LYS B 7
|
| 261 |
-
ATOM 261 NZ LYS B 7
|
| 262 |
-
ATOM 262 N LYS B 8
|
| 263 |
-
ATOM 263 CA LYS B 8
|
| 264 |
-
ATOM 264 C LYS B 8
|
| 265 |
-
ATOM 265 O LYS B 8
|
| 266 |
-
ATOM 266 CB LYS B 8
|
| 267 |
-
ATOM 267 CG LYS B 8
|
| 268 |
-
ATOM 268 CD LYS B 8
|
| 269 |
-
ATOM 269 CE LYS B 8 7.
|
| 270 |
-
ATOM 270 NZ LYS B 8
|
| 271 |
END
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| 272 |
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| 1 |
+
ATOM 1 N MET A 1 -11.389 -14.431 11.150 1.00 68.31 N
|
| 2 |
+
ATOM 2 CA MET A 1 -10.853 -14.531 9.792 1.00 68.31 C
|
| 3 |
+
ATOM 3 C MET A 1 -10.021 -13.307 9.430 1.00 68.31 C
|
| 4 |
+
ATOM 4 O MET A 1 -10.260 -12.655 8.435 1.00 68.31 O
|
| 5 |
+
ATOM 5 CB MET A 1 -11.978 -14.721 8.792 1.00 68.31 C
|
| 6 |
+
ATOM 6 CG MET A 1 -12.759 -15.976 9.009 1.00 68.31 C
|
| 7 |
+
ATOM 7 SD MET A 1 -13.935 -16.191 7.678 1.00 68.31 S
|
| 8 |
+
ATOM 8 CE MET A 1 -12.891 -17.045 6.563 1.00 68.31 C
|
| 9 |
+
ATOM 9 N LYS A 2 -9.034 -13.032 10.217 1.00 79.75 N
|
| 10 |
+
ATOM 10 CA LYS A 2 -8.149 -11.901 9.977 1.00 79.75 C
|
| 11 |
+
ATOM 11 C LYS A 2 -7.073 -12.222 8.967 1.00 79.75 C
|
| 12 |
+
ATOM 12 O LYS A 2 -6.557 -11.335 8.301 1.00 79.75 O
|
| 13 |
+
ATOM 13 CB LYS A 2 -7.542 -11.447 11.295 1.00 79.75 C
|
| 14 |
+
ATOM 14 CG LYS A 2 -8.610 -10.928 12.239 1.00 79.75 C
|
| 15 |
+
ATOM 15 CD LYS A 2 -8.044 -10.652 13.605 1.00 79.75 C
|
| 16 |
+
ATOM 16 CE LYS A 2 -9.101 -10.184 14.537 1.00 79.75 C
|
| 17 |
+
ATOM 17 NZ LYS A 2 -8.559 -9.957 15.883 1.00 79.75 N
|
| 18 |
+
ATOM 18 N THR A 3 -6.749 -13.502 8.848 1.00 83.48 N
|
| 19 |
+
ATOM 19 CA THR A 3 -5.752 -13.931 7.887 1.00 83.48 C
|
| 20 |
+
ATOM 20 C THR A 3 -6.175 -13.576 6.469 1.00 83.48 C
|
| 21 |
+
ATOM 21 O THR A 3 -5.382 -13.051 5.689 1.00 83.48 O
|
| 22 |
+
ATOM 22 CB THR A 3 -5.509 -15.445 8.006 1.00 83.48 C
|
| 23 |
+
ATOM 23 OG1 THR A 3 -5.059 -15.739 9.315 1.00 83.48 O
|
| 24 |
+
ATOM 24 CG2 THR A 3 -4.479 -15.915 6.999 1.00 83.48 C
|
| 25 |
+
ATOM 25 N ALA A 4 -7.409 -13.820 6.128 1.00 82.37 N
|
| 26 |
+
ATOM 26 CA ALA A 4 -7.941 -13.480 4.817 1.00 82.37 C
|
| 27 |
+
ATOM 27 C ALA A 4 -7.931 -11.973 4.627 1.00 82.37 C
|
| 28 |
+
ATOM 28 O ALA A 4 -7.663 -11.469 3.535 1.00 82.37 O
|
| 29 |
+
ATOM 29 CB ALA A 4 -9.351 -14.024 4.667 1.00 82.37 C
|
| 30 |
+
ATOM 30 N TYR A 5 -8.180 -11.237 5.664 1.00 81.84 N
|
| 31 |
+
ATOM 31 CA TYR A 5 -8.151 -9.780 5.632 1.00 81.84 C
|
| 32 |
+
ATOM 32 C TYR A 5 -6.748 -9.270 5.313 1.00 81.84 C
|
| 33 |
+
ATOM 33 O TYR A 5 -6.590 -8.353 4.506 1.00 81.84 O
|
| 34 |
+
ATOM 34 CB TYR A 5 -8.620 -9.233 6.986 1.00 81.84 C
|
| 35 |
+
ATOM 35 CG TYR A 5 -8.600 -7.736 7.090 1.00 81.84 C
|
| 36 |
+
ATOM 36 CD1 TYR A 5 -9.554 -6.973 6.430 1.00 81.84 C
|
| 37 |
+
ATOM 37 CD2 TYR A 5 -7.640 -7.092 7.843 1.00 81.84 C
|
| 38 |
+
ATOM 38 CE1 TYR A 5 -9.540 -5.598 6.511 1.00 81.84 C
|
| 39 |
+
ATOM 39 CE2 TYR A 5 -7.622 -5.708 7.925 1.00 81.84 C
|
| 40 |
+
ATOM 40 CZ TYR A 5 -8.581 -4.965 7.264 1.00 81.84 C
|
| 41 |
+
ATOM 41 OH TYR A 5 -8.563 -3.592 7.353 1.00 81.84 O
|
| 42 |
+
ATOM 42 N ILE A 6 -5.741 -9.855 5.894 1.00 85.47 N
|
| 43 |
+
ATOM 43 CA ILE A 6 -4.351 -9.489 5.633 1.00 85.47 C
|
| 44 |
+
ATOM 44 C ILE A 6 -4.006 -9.712 4.175 1.00 85.47 C
|
| 45 |
+
ATOM 45 O ILE A 6 -3.388 -8.857 3.534 1.00 85.47 O
|
| 46 |
+
ATOM 46 CB ILE A 6 -3.393 -10.282 6.531 1.00 85.47 C
|
| 47 |
+
ATOM 47 CG1 ILE A 6 -3.524 -9.810 7.974 1.00 85.47 C
|
| 48 |
+
ATOM 48 CG2 ILE A 6 -1.937 -10.116 6.078 1.00 85.47 C
|
| 49 |
+
ATOM 49 CD1 ILE A 6 -2.720 -10.645 8.963 1.00 85.47 C
|
| 50 |
+
ATOM 50 N ALA A 7 -4.408 -10.827 3.612 1.00 84.79 N
|
| 51 |
+
ATOM 51 CA ALA A 7 -4.135 -11.134 2.214 1.00 84.79 C
|
| 52 |
+
ATOM 52 C ALA A 7 -4.780 -10.107 1.306 1.00 84.79 C
|
| 53 |
+
ATOM 53 O ALA A 7 -4.159 -9.634 0.350 1.00 84.79 O
|
| 54 |
+
ATOM 54 CB ALA A 7 -4.636 -12.530 1.887 1.00 84.79 C
|
| 55 |
+
ATOM 55 N LYS A 8 -5.978 -9.709 1.601 1.00 82.72 N
|
| 56 |
+
ATOM 56 CA LYS A 8 -6.683 -8.711 0.818 1.00 82.72 C
|
| 57 |
+
ATOM 57 C LYS A 8 -6.062 -7.335 1.006 1.00 82.72 C
|
| 58 |
+
ATOM 58 O LYS A 8 -5.895 -6.581 0.051 1.00 82.72 O
|
| 59 |
+
ATOM 59 CB LYS A 8 -8.160 -8.681 1.209 1.00 82.72 C
|
| 60 |
+
ATOM 60 CG LYS A 8 -8.999 -7.802 0.276 1.00 82.72 C
|
| 61 |
+
ATOM 61 CD LYS A 8 -10.362 -7.476 0.856 1.00 82.72 C
|
| 62 |
+
ATOM 62 CE LYS A 8 -11.139 -8.603 1.409 1.00 82.72 C
|
| 63 |
+
ATOM 63 NZ LYS A 8 -12.506 -8.167 1.826 1.00 82.72 N
|
| 64 |
+
ATOM 64 N GLN A 9 -5.706 -7.003 2.221 1.00 83.34 N
|
| 65 |
+
ATOM 65 CA GLN A 9 -5.092 -5.709 2.503 1.00 83.34 C
|
| 66 |
+
ATOM 66 C GLN A 9 -3.756 -5.564 1.806 1.00 83.34 C
|
| 67 |
+
ATOM 67 O GLN A 9 -3.400 -4.473 1.373 1.00 83.34 O
|
| 68 |
+
ATOM 68 CB GLN A 9 -4.937 -5.522 4.008 1.00 83.34 C
|
| 69 |
+
ATOM 69 CG GLN A 9 -6.247 -5.275 4.713 1.00 83.34 C
|
| 70 |
+
ATOM 70 CD GLN A 9 -6.995 -4.091 4.156 1.00 83.34 C
|
| 71 |
+
ATOM 71 OE1 GLN A 9 -6.474 -2.996 4.096 1.00 83.34 O
|
| 72 |
+
ATOM 72 NE2 GLN A 9 -8.227 -4.287 3.740 1.00 83.34 N
|
| 73 |
+
ATOM 73 N ARG A 10 -3.002 -6.646 1.641 1.00 82.18 N
|
| 74 |
+
ATOM 74 CA ARG A 10 -1.727 -6.596 0.935 1.00 82.18 C
|
| 75 |
+
ATOM 75 C ARG A 10 -1.927 -6.165 -0.504 1.00 82.18 C
|
| 76 |
+
ATOM 76 O ARG A 10 -1.210 -5.304 -1.010 1.00 82.18 O
|
| 77 |
+
ATOM 77 CB ARG A 10 -1.029 -7.954 0.990 1.00 82.18 C
|
| 78 |
+
ATOM 78 CG ARG A 10 -0.500 -8.281 2.377 1.00 82.18 C
|
| 79 |
+
ATOM 79 CD ARG A 10 0.199 -9.633 2.398 1.00 82.18 C
|
| 80 |
+
ATOM 80 NE ARG A 10 0.116 -10.280 3.652 1.00 82.18 N
|
| 81 |
+
ATOM 81 CZ ARG A 10 0.904 -9.995 4.720 1.00 82.18 C
|
| 82 |
+
ATOM 82 NH1 ARG A 10 1.837 -9.085 4.629 1.00 82.18 N
|
| 83 |
+
ATOM 83 NH2 ARG A 10 0.754 -10.658 5.868 1.00 82.18 N
|
| 84 |
+
ATOM 84 N GLN A 11 -2.910 -6.698 -1.177 1.00 81.15 N
|
| 85 |
+
ATOM 85 CA GLN A 11 -3.215 -6.322 -2.551 1.00 81.15 C
|
| 86 |
+
ATOM 86 C GLN A 11 -3.648 -4.871 -2.628 1.00 81.15 C
|
| 87 |
+
ATOM 87 O GLN A 11 -3.140 -4.104 -3.456 1.00 81.15 O
|
| 88 |
+
ATOM 88 CB GLN A 11 -4.314 -7.201 -3.129 1.00 81.15 C
|
| 89 |
+
ATOM 89 CG GLN A 11 -3.856 -8.590 -3.487 1.00 81.15 C
|
| 90 |
+
ATOM 90 CD GLN A 11 -4.972 -9.401 -4.127 1.00 81.15 C
|
| 91 |
+
ATOM 91 OE1 GLN A 11 -5.688 -10.107 -3.455 1.00 81.15 O
|
| 92 |
+
ATOM 92 NE2 GLN A 11 -5.109 -9.276 -5.426 1.00 81.15 N
|
| 93 |
+
ATOM 93 N ILE A 12 -4.558 -4.480 -1.798 1.00 83.64 N
|
| 94 |
+
ATOM 94 CA ILE A 12 -5.086 -3.126 -1.780 1.00 83.64 C
|
| 95 |
+
ATOM 95 C ILE A 12 -3.986 -2.135 -1.421 1.00 83.64 C
|
| 96 |
+
ATOM 96 O ILE A 12 -3.834 -1.106 -2.081 1.00 83.64 O
|
| 97 |
+
ATOM 97 CB ILE A 12 -6.270 -3.022 -0.797 1.00 83.64 C
|
| 98 |
+
ATOM 98 CG1 ILE A 12 -7.412 -3.932 -1.249 1.00 83.64 C
|
| 99 |
+
ATOM 99 CG2 ILE A 12 -6.746 -1.573 -0.698 1.00 83.64 C
|
| 100 |
+
ATOM 100 CD1 ILE A 12 -8.497 -4.101 -0.204 1.00 83.64 C
|
| 101 |
+
ATOM 101 N SER A 13 -3.198 -2.441 -0.413 1.00 82.04 N
|
| 102 |
+
ATOM 102 CA SER A 13 -2.115 -1.571 0.017 1.00 82.04 C
|
| 103 |
+
ATOM 103 C SER A 13 -1.121 -1.343 -1.109 1.00 82.04 C
|
| 104 |
+
ATOM 104 O SER A 13 -0.689 -0.211 -1.357 1.00 82.04 O
|
| 105 |
+
ATOM 105 CB SER A 13 -1.419 -2.157 1.242 1.00 82.04 C
|
| 106 |
+
ATOM 106 OG SER A 13 -0.507 -1.240 1.780 1.00 82.04 O
|
| 107 |
+
ATOM 107 N PHE A 14 -0.737 -2.377 -1.822 1.00 80.38 N
|
| 108 |
+
ATOM 108 CA PHE A 14 0.201 -2.269 -2.931 1.00 80.38 C
|
| 109 |
+
ATOM 109 C PHE A 14 -0.388 -1.424 -4.058 1.00 80.38 C
|
| 110 |
+
ATOM 110 O PHE A 14 0.279 -0.526 -4.594 1.00 80.38 O
|
| 111 |
+
ATOM 111 CB PHE A 14 0.587 -3.659 -3.442 1.00 80.38 C
|
| 112 |
+
ATOM 112 CG PHE A 14 1.609 -3.624 -4.546 1.00 80.38 C
|
| 113 |
+
ATOM 113 CD1 PHE A 14 2.928 -3.363 -4.254 1.00 80.38 C
|
| 114 |
+
ATOM 114 CD2 PHE A 14 1.230 -3.847 -5.857 1.00 80.38 C
|
| 115 |
+
ATOM 115 CE1 PHE A 14 3.869 -3.309 -5.275 1.00 80.38 C
|
| 116 |
+
ATOM 116 CE2 PHE A 14 2.177 -3.792 -6.879 1.00 80.38 C
|
| 117 |
+
ATOM 117 CZ PHE A 14 3.500 -3.531 -6.582 1.00 80.38 C
|
| 118 |
+
ATOM 118 N VAL A 15 -1.623 -1.678 -4.419 1.00 81.53 N
|
| 119 |
+
ATOM 119 CA VAL A 15 -2.298 -0.921 -5.467 1.00 81.53 C
|
| 120 |
+
ATOM 120 C VAL A 15 -2.447 0.540 -5.045 1.00 81.53 C
|
| 121 |
+
ATOM 121 O VAL A 15 -2.262 1.449 -5.858 1.00 81.53 O
|
| 122 |
+
ATOM 122 CB VAL A 15 -3.663 -1.547 -5.798 1.00 81.53 C
|
| 123 |
+
ATOM 123 CG1 VAL A 15 -4.410 -0.696 -6.796 1.00 81.53 C
|
| 124 |
+
ATOM 124 CG2 VAL A 15 -3.481 -2.946 -6.329 1.00 81.53 C
|
| 125 |
+
ATOM 125 N LYS A 16 -2.752 0.793 -3.796 1.00 80.88 N
|
| 126 |
+
ATOM 126 CA LYS A 16 -2.860 2.158 -3.294 1.00 80.88 C
|
| 127 |
+
ATOM 127 C LYS A 16 -1.548 2.904 -3.424 1.00 80.88 C
|
| 128 |
+
ATOM 128 O LYS A 16 -1.528 4.073 -3.809 1.00 80.88 O
|
| 129 |
+
ATOM 129 CB LYS A 16 -3.328 2.158 -1.840 1.00 80.88 C
|
| 130 |
+
ATOM 130 CG LYS A 16 -4.819 1.857 -1.683 1.00 80.88 C
|
| 131 |
+
ATOM 131 CD LYS A 16 -5.245 1.978 -0.223 1.00 80.88 C
|
| 132 |
+
ATOM 132 CE LYS A 16 -6.719 1.713 -0.062 1.00 80.88 C
|
| 133 |
+
ATOM 133 NZ LYS A 16 -7.150 1.920 1.325 1.00 80.88 N
|
| 134 |
+
ATOM 134 N GLN A 17 -0.445 2.254 -3.154 1.00 78.02 N
|
| 135 |
+
ATOM 135 CA GLN A 17 0.867 2.875 -3.288 1.00 78.02 C
|
| 136 |
+
ATOM 136 C GLN A 17 1.121 3.280 -4.718 1.00 78.02 C
|
| 137 |
+
ATOM 137 O GLN A 17 1.490 4.421 -4.998 1.00 78.02 O
|
| 138 |
+
ATOM 138 CB GLN A 17 1.962 1.918 -2.816 1.00 78.02 C
|
| 139 |
+
ATOM 139 CG GLN A 17 2.006 1.749 -1.313 1.00 78.02 C
|
| 140 |
+
ATOM 140 CD GLN A 17 3.179 0.884 -0.873 1.00 78.02 C
|
| 141 |
+
ATOM 141 OE1 GLN A 17 4.081 0.565 -1.642 1.00 78.02 O
|
| 142 |
+
ATOM 142 NE2 GLN A 17 3.192 0.503 0.380 1.00 78.02 N
|
| 143 |
+
ATOM 143 N ILE A 18 0.903 2.411 -5.654 1.00 77.41 N
|
| 144 |
+
ATOM 144 CA ILE A 18 1.112 2.673 -7.073 1.00 77.41 C
|
| 145 |
+
ATOM 145 C ILE A 18 0.085 3.694 -7.551 1.00 77.41 C
|
| 146 |
+
ATOM 146 O ILE A 18 0.419 4.650 -8.262 1.00 77.41 O
|
| 147 |
+
ATOM 147 CB ILE A 18 1.017 1.383 -7.892 1.00 77.41 C
|
| 148 |
+
ATOM 148 CG1 ILE A 18 2.100 0.390 -7.422 1.00 77.41 C
|
| 149 |
+
ATOM 149 CG2 ILE A 18 1.163 1.682 -9.373 1.00 77.41 C
|
| 150 |
+
ATOM 150 CD1 ILE A 18 1.989 -0.971 -8.081 1.00 77.41 C
|
| 151 |
+
ATOM 151 N PHE A 19 -1.170 3.537 -7.165 1.00 76.80 N
|
| 152 |
+
ATOM 152 CA PHE A 19 -2.244 4.449 -7.541 1.00 76.80 C
|
| 153 |
+
ATOM 153 C PHE A 19 -1.980 5.853 -7.002 1.00 76.80 C
|
| 154 |
+
ATOM 154 O PHE A 19 -2.144 6.840 -7.733 1.00 76.80 O
|
| 155 |
+
ATOM 155 CB PHE A 19 -3.578 3.911 -7.014 1.00 76.80 C
|
| 156 |
+
ATOM 156 CG PHE A 19 -4.762 4.759 -7.408 1.00 76.80 C
|
| 157 |
+
ATOM 157 CD1 PHE A 19 -5.126 5.843 -6.646 1.00 76.80 C
|
| 158 |
+
ATOM 158 CD2 PHE A 19 -5.520 4.451 -8.523 1.00 76.80 C
|
| 159 |
+
ATOM 159 CE1 PHE A 19 -6.221 6.633 -7.025 1.00 76.80 C
|
| 160 |
+
ATOM 160 CE2 PHE A 19 -6.599 5.229 -8.886 1.00 76.80 C
|
| 161 |
+
ATOM 161 CZ PHE A 19 -6.967 6.319 -8.134 1.00 76.80 C
|
| 162 |
+
ATOM 162 N ASN A 20 -1.542 5.943 -5.742 1.00 73.71 N
|
| 163 |
+
ATOM 163 CA ASN A 20 -1.216 7.233 -5.158 1.00 73.71 C
|
| 164 |
+
ATOM 164 C ASN A 20 -0.085 7.907 -5.908 1.00 73.71 C
|
| 165 |
+
ATOM 165 O ASN A 20 -0.108 9.124 -6.114 1.00 73.71 O
|
| 166 |
+
ATOM 166 CB ASN A 20 -0.846 7.083 -3.684 1.00 73.71 C
|
| 167 |
+
ATOM 167 CG ASN A 20 -2.047 6.950 -2.785 1.00 73.71 C
|
| 168 |
+
ATOM 168 OD1 ASN A 20 -2.989 7.726 -2.902 1.00 73.71 O
|
| 169 |
+
ATOM 169 ND2 ASN A 20 -2.033 5.992 -1.887 1.00 73.71 N
|
| 170 |
+
ATOM 170 N ALA A 21 0.879 7.161 -6.340 1.00 72.11 N
|
| 171 |
+
ATOM 171 CA ALA A 21 1.994 7.697 -7.109 1.00 72.11 C
|
| 172 |
+
ATOM 172 C ALA A 21 1.517 8.199 -8.466 1.00 72.11 C
|
| 173 |
+
ATOM 173 O ALA A 21 1.950 9.256 -8.937 1.00 72.11 O
|
| 174 |
+
ATOM 174 CB ALA A 21 3.074 6.644 -7.272 1.00 72.11 C
|
| 175 |
+
ATOM 175 N THR A 22 0.632 7.480 -9.077 1.00 74.12 N
|
| 176 |
+
ATOM 176 CA THR A 22 0.089 7.835 -10.375 1.00 74.12 C
|
| 177 |
+
ATOM 177 C THR A 22 -0.801 9.066 -10.288 1.00 74.12 C
|
| 178 |
+
ATOM 178 O THR A 22 -0.713 9.969 -11.119 1.00 74.12 O
|
| 179 |
+
ATOM 179 CB THR A 22 -0.692 6.663 -10.967 1.00 74.12 C
|
| 180 |
+
ATOM 180 OG1 THR A 22 0.103 5.490 -10.905 1.00 74.12 O
|
| 181 |
+
ATOM 181 CG2 THR A 22 -1.049 6.927 -12.422 1.00 74.12 C
|
| 182 |
+
ATOM 182 N LYS A 23 -1.655 9.129 -9.270 1.00 70.96 N
|
| 183 |
+
ATOM 183 CA LYS A 23 -2.555 10.257 -9.071 1.00 70.96 C
|
| 184 |
+
ATOM 184 C LYS A 23 -1.799 11.539 -8.756 1.00 70.96 C
|
| 185 |
+
ATOM 185 O LYS A 23 -2.220 12.632 -9.102 1.00 70.96 O
|
| 186 |
+
ATOM 186 CB LYS A 23 -3.542 9.968 -7.949 1.00 70.96 C
|
| 187 |
+
ATOM 187 CG LYS A 23 -4.560 8.899 -8.296 1.00 70.96 C
|
| 188 |
+
ATOM 188 CD LYS A 23 -5.482 9.318 -9.405 1.00 70.96 C
|
| 189 |
+
ATOM 189 CE LYS A 23 -6.492 10.355 -8.947 1.00 70.96 C
|
| 190 |
+
ATOM 190 NZ LYS A 23 -7.486 10.647 -9.995 1.00 70.96 N
|
| 191 |
+
ATOM 191 N PHE A 24 -0.658 11.406 -8.107 1.00 66.08 N
|
| 192 |
+
ATOM 192 CA PHE A 24 0.138 12.553 -7.707 1.00 66.08 C
|
| 193 |
+
ATOM 193 C PHE A 24 0.829 13.235 -8.870 1.00 66.08 C
|
| 194 |
+
ATOM 194 O PHE A 24 1.240 14.372 -8.770 1.00 66.08 O
|
| 195 |
+
ATOM 195 CB PHE A 24 1.167 12.130 -6.634 1.00 66.08 C
|
| 196 |
+
ATOM 196 CG PHE A 24 1.236 13.095 -5.490 1.00 66.08 C
|
| 197 |
+
ATOM 197 CD1 PHE A 24 0.232 13.125 -4.540 1.00 66.08 C
|
| 198 |
+
ATOM 198 CD2 PHE A 24 2.287 13.973 -5.377 1.00 66.08 C
|
| 199 |
+
ATOM 199 CE1 PHE A 24 0.277 14.016 -3.496 1.00 66.08 C
|
| 200 |
+
ATOM 200 CE2 PHE A 24 2.332 14.885 -4.331 1.00 66.08 C
|
| 201 |
+
ATOM 201 CZ PHE A 24 1.332 14.903 -3.388 1.00 66.08 C
|
| 202 |
+
ATOM 202 N GLU A 25 0.954 12.523 -9.932 1.00 59.71 N
|
| 203 |
+
ATOM 203 CA GLU A 25 1.577 13.063 -11.149 1.00 59.71 C
|
| 204 |
+
ATOM 204 C GLU A 25 0.794 14.296 -11.605 1.00 59.71 C
|
| 205 |
+
ATOM 205 O GLU A 25 1.349 15.342 -11.787 1.00 59.71 O
|
| 206 |
+
ATOM 206 CB GLU A 25 1.569 12.005 -12.245 1.00 59.71 C
|
| 207 |
+
ATOM 207 CG GLU A 25 2.245 12.500 -13.526 1.00 59.71 C
|
| 208 |
+
ATOM 208 CD GLU A 25 1.897 11.623 -14.729 1.00 59.71 C
|
| 209 |
+
ATOM 209 OE1 GLU A 25 1.885 10.397 -14.545 1.00 59.71 O
|
| 210 |
+
ATOM 210 OE2 GLU A 25 1.634 12.143 -15.808 1.00 59.71 O
|
| 211 |
TER 211 GLU A 25
|
| 212 |
+
ATOM 212 N GLY B 1 9.069 -5.728 -3.960 1.00 47.10 N
|
| 213 |
+
ATOM 213 CA GLY B 1 9.841 -4.481 -4.219 1.00 47.10 C
|
| 214 |
+
ATOM 214 C GLY B 1 9.034 -3.267 -3.787 1.00 47.10 C
|
| 215 |
+
ATOM 215 O GLY B 1 7.819 -3.324 -3.661 1.00 47.10 O
|
| 216 |
+
ATOM 216 N SER B 2 9.704 -2.170 -3.618 1.00 57.67 N
|
| 217 |
+
ATOM 217 CA SER B 2 9.080 -0.910 -3.233 1.00 57.67 C
|
| 218 |
+
ATOM 218 C SER B 2 8.790 -0.059 -4.459 1.00 57.67 C
|
| 219 |
+
ATOM 219 O SER B 2 9.384 -0.240 -5.514 1.00 57.67 O
|
| 220 |
+
ATOM 220 CB SER B 2 10.002 -0.162 -2.281 1.00 57.67 C
|
| 221 |
+
ATOM 221 OG SER B 2 10.262 -0.940 -1.131 1.00 57.67 O
|
| 222 |
+
ATOM 222 N VAL B 3 7.910 0.924 -4.316 1.00 59.30 N
|
| 223 |
+
ATOM 223 CA VAL B 3 7.496 1.793 -5.411 1.00 59.30 C
|
| 224 |
+
ATOM 224 C VAL B 3 7.798 3.247 -5.038 1.00 59.30 C
|
| 225 |
+
ATOM 225 O VAL B 3 7.486 3.695 -3.936 1.00 59.30 O
|
| 226 |
+
ATOM 226 CB VAL B 3 5.994 1.624 -5.703 1.00 59.30 C
|
| 227 |
+
ATOM 227 CG1 VAL B 3 5.589 2.499 -6.886 1.00 59.30 C
|
| 228 |
+
ATOM 228 CG2 VAL B 3 5.657 0.184 -5.992 1.00 59.30 C
|
| 229 |
+
ATOM 229 N GLN B 4 8.383 3.995 -5.966 1.00 62.09 N
|
| 230 |
+
ATOM 230 CA GLN B 4 8.653 5.404 -5.753 1.00 62.09 C
|
| 231 |
+
ATOM 231 C GLN B 4 7.426 6.241 -6.090 1.00 62.09 C
|
| 232 |
+
ATOM 232 O GLN B 4 6.752 5.977 -7.068 1.00 62.09 O
|
| 233 |
+
ATOM 233 CB GLN B 4 9.815 5.854 -6.638 1.00 62.09 C
|
| 234 |
+
ATOM 234 CG GLN B 4 11.088 5.087 -6.399 1.00 62.09 C
|
| 235 |
+
ATOM 235 CD GLN B 4 12.190 5.506 -7.335 1.00 62.09 C
|
| 236 |
+
ATOM 236 OE1 GLN B 4 13.333 5.538 -6.978 1.00 62.09 O
|
| 237 |
+
ATOM 237 NE2 GLN B 4 11.862 5.833 -8.548 1.00 62.09 N
|
| 238 |
+
ATOM 238 N ILE B 5 7.189 7.236 -5.312 1.00 59.62 N
|
| 239 |
+
ATOM 239 CA ILE B 5 6.085 8.151 -5.554 1.00 59.62 C
|
| 240 |
+
ATOM 240 C ILE B 5 6.629 9.344 -6.322 1.00 59.62 C
|
| 241 |
+
ATOM 241 O ILE B 5 7.516 10.055 -5.845 1.00 59.62 O
|
| 242 |
+
ATOM 242 CB ILE B 5 5.450 8.599 -4.232 1.00 59.62 C
|
| 243 |
+
ATOM 243 CG1 ILE B 5 4.996 7.389 -3.430 1.00 59.62 C
|
| 244 |
+
ATOM 244 CG2 ILE B 5 4.278 9.526 -4.507 1.00 59.62 C
|
| 245 |
+
ATOM 245 CD1 ILE B 5 4.490 7.714 -2.060 1.00 59.62 C
|
| 246 |
+
ATOM 246 N VAL B 6 6.122 9.603 -7.509 1.00 60.08 N
|
| 247 |
+
ATOM 247 CA VAL B 6 6.564 10.684 -8.373 1.00 60.08 C
|
| 248 |
+
ATOM 248 C VAL B 6 5.416 11.630 -8.657 1.00 60.08 C
|
| 249 |
+
ATOM 249 O VAL B 6 4.277 11.213 -8.813 1.00 60.08 O
|
| 250 |
+
ATOM 250 CB VAL B 6 7.114 10.144 -9.706 1.00 60.08 C
|
| 251 |
+
ATOM 251 CG1 VAL B 6 8.399 9.396 -9.459 1.00 60.08 C
|
| 252 |
+
ATOM 252 CG2 VAL B 6 6.114 9.256 -10.410 1.00 60.08 C
|
| 253 |
+
ATOM 253 N LYS B 7 5.711 12.903 -8.759 1.00 60.94 N
|
| 254 |
+
ATOM 254 CA LYS B 7 4.699 13.887 -9.093 1.00 60.94 C
|
| 255 |
+
ATOM 255 C LYS B 7 5.262 14.888 -10.094 1.00 60.94 C
|
| 256 |
+
ATOM 256 O LYS B 7 6.203 15.601 -9.811 1.00 60.94 O
|
| 257 |
+
ATOM 257 CB LYS B 7 4.208 14.598 -7.828 1.00 60.94 C
|
| 258 |
+
ATOM 258 CG LYS B 7 5.302 15.281 -7.058 1.00 60.94 C
|
| 259 |
+
ATOM 259 CD LYS B 7 4.753 16.060 -5.860 1.00 60.94 C
|
| 260 |
+
ATOM 260 CE LYS B 7 5.793 16.993 -5.277 1.00 60.94 C
|
| 261 |
+
ATOM 261 NZ LYS B 7 5.758 18.325 -5.957 1.00 60.94 N
|
| 262 |
+
ATOM 262 N LYS B 8 4.767 14.888 -11.169 1.00 58.99 N
|
| 263 |
+
ATOM 263 CA LYS B 8 5.173 15.701 -12.298 1.00 58.99 C
|
| 264 |
+
ATOM 264 C LYS B 8 4.440 15.184 -13.527 1.00 58.99 C
|
| 265 |
+
ATOM 265 O LYS B 8 4.181 15.879 -14.449 1.00 58.99 O
|
| 266 |
+
ATOM 266 CB LYS B 8 6.671 15.656 -12.476 1.00 58.99 C
|
| 267 |
+
ATOM 267 CG LYS B 8 7.242 16.784 -13.212 1.00 58.99 C
|
| 268 |
+
ATOM 268 CD LYS B 8 7.256 18.043 -12.360 1.00 58.99 C
|
| 269 |
+
ATOM 269 CE LYS B 8 7.959 19.169 -13.072 1.00 58.99 C
|
| 270 |
+
ATOM 270 NZ LYS B 8 7.992 20.375 -12.290 1.00 58.99 N
|
| 271 |
END
|
| 272 |
|