Ticket #6524: 1gcn_saved_again.pdb

File 1gcn_saved_again.pdb, 19.2 KB (added by mhunkeler@…, 4 years ago)

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Line 
1SEQRES 1 A 29 HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR
2SEQRES 2 A 29 LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU
3SEQRES 3 A 29 MET ASN THR
4HELIX 1 1 PHE A 6 LEU A 26 1 21
5ATOM 1 N HIS A 1 49.668 24.248 10.436 0.00 0.00 N
6ATOM 2 CA HIS A 1 50.197 25.578 10.784 0.00 0.00 C
7ATOM 3 C HIS A 1 49.169 26.701 10.917 0.00 0.00 C
8ATOM 4 O HIS A 1 48.241 26.524 11.749 0.00 0.00 O
9ATOM 5 CB HIS A 1 51.312 26.048 9.843 0.00 0.00 C
10ATOM 6 CG HIS A 1 50.958 26.068 8.340 0.00 0.00 C
11ATOM 7 ND1 HIS A 1 49.636 26.144 7.860 0.00 0.00 N
12ATOM 8 CD2 HIS A 1 51.797 26.043 7.286 0.00 0.00 C
13ATOM 9 CE1 HIS A 1 49.691 26.152 6.454 0.00 0.00 C
14ATOM 10 NE2 HIS A 1 51.046 26.090 6.098 0.00 0.00 N
15ATOM 11 N SER A 2 49.788 27.850 10.784 0.00 0.00 N
16ATOM 12 CA SER A 2 49.138 29.147 10.620 0.00 0.00 C
17ATOM 13 C SER A 2 47.713 29.006 10.110 0.00 0.00 C
18ATOM 14 O SER A 2 46.740 29.251 10.864 0.00 0.00 O
19ATOM 15 CB SER A 2 49.875 29.930 9.569 0.00 0.00 C
20ATOM 16 OG SER A 2 49.145 31.057 9.176 0.00 0.00 O
21ATOM 17 N GLN A 3 47.620 28.367 8.973 0.00 0.00 N
22ATOM 18 CA GLN A 3 46.287 28.193 8.308 0.00 0.00 C
23ATOM 19 C GLN A 3 45.406 27.172 8.963 0.00 0.00 C
24ATOM 20 O GLN A 3 44.198 27.508 9.014 0.00 0.00 O
25ATOM 21 CB GLN A 3 46.489 27.963 6.806 0.00 0.00 C
26ATOM 22 CG GLN A 3 45.138 27.800 6.111 0.00 0.00 C
27ATOM 23 CD GLN A 3 45.304 27.952 4.603 0.00 0.00 C
28ATOM 24 OE1 GLN A 3 46.432 28.202 4.112 0.00 0.00 O
29ATOM 25 NE2 GLN A 3 44.233 27.647 3.897 0.00 0.00 N
30ATOM 26 N GLY A 4 46.014 26.394 9.871 0.00 0.00 N
31ATOM 27 CA GLY A 4 45.422 25.287 10.680 0.00 0.00 C
32ATOM 28 C GLY A 4 43.892 25.215 10.719 0.00 0.00 C
33ATOM 29 O GLY A 4 43.287 26.155 11.288 0.00 0.00 O
34ATOM 30 N THR A 5 43.406 23.993 10.767 0.00 0.00 N
35ATOM 31 CA THR A 5 42.004 23.642 10.443 0.00 0.00 C
36ATOM 32 C THR A 5 40.788 24.146 11.252 0.00 0.00 C
37ATOM 33 O THR A 5 39.804 23.384 11.410 0.00 0.00 O
38ATOM 34 CB THR A 5 41.934 22.202 9.889 0.00 0.00 C
39ATOM 35 OG1 THR A 5 41.080 21.317 10.609 0.00 0.00 O
40ATOM 36 CG2 THR A 5 43.317 21.556 9.849 0.00 0.00 C
41ATOM 37 N PHE A 6 40.628 25.463 11.441 0.00 0.00 N
42ATOM 38 CA PHE A 6 39.381 25.950 12.104 0.00 0.00 C
43ATOM 39 C PHE A 6 38.156 25.684 11.232 0.00 0.00 C
44ATOM 40 O PHE A 6 37.231 25.002 11.719 0.00 0.00 O
45ATOM 41 CB PHE A 6 39.407 27.425 12.584 0.00 0.00 C
46ATOM 42 CG PHE A 6 38.187 27.923 13.430 0.00 0.00 C
47ATOM 43 CD1 PHE A 6 36.889 27.518 13.163 0.00 0.00 C
48ATOM 44 CD2 PHE A 6 38.386 28.862 14.419 0.00 0.00 C
49ATOM 45 CE1 PHE A 6 35.813 27.967 13.909 0.00 0.00 C
50ATOM 46 CE2 PHE A 6 37.306 29.328 15.177 0.00 0.00 C
51ATOM 47 CZ PHE A 6 36.019 28.871 14.928 0.00 0.00 C
52ATOM 48 N THR A 7 38.341 25.794 9.956 0.00 0.00 N
53ATOM 49 CA THR A 7 37.249 25.666 8.991 0.00 0.00 C
54ATOM 50 C THR A 7 36.324 24.452 9.101 0.00 0.00 C
55ATOM 51 O THR A 7 35.111 24.637 9.387 0.00 0.00 O
56ATOM 52 CB THR A 7 37.884 25.743 7.628 0.00 0.00 C
57ATOM 53 OG1 THR A 7 37.940 27.122 7.317 0.00 0.00 O
58ATOM 54 CG2 THR A 7 37.073 25.003 6.585 0.00 0.00 C
59ATOM 55 N SER A 8 36.964 23.356 9.442 0.00 0.00 N
60ATOM 56 CA SER A 8 36.286 22.063 9.486 0.00 0.00 C
61ATOM 57 C SER A 8 35.575 21.813 10.813 0.00 0.00 C
62ATOM 58 O SER A 8 35.203 20.650 11.111 0.00 0.00 O
63ATOM 59 CB SER A 8 37.291 20.958 9.189 0.00 0.00 C
64ATOM 60 OG SER A 8 37.917 21.247 7.943 0.00 0.00 O
65ATOM 61 N ASP A 9 35.723 22.783 11.694 0.00 0.00 N
66ATOM 62 CA ASP A 9 35.004 22.803 12.977 0.00 0.00 C
67ATOM 63 C ASP A 9 33.532 23.121 12.749 0.00 0.00 C
68ATOM 64 O ASP A 9 32.645 22.360 13.210 0.00 0.00 O
69ATOM 65 CB ASP A 9 35.556 23.874 13.919 0.00 0.00 C
70ATOM 66 CG ASP A 9 36.280 23.230 15.096 0.00 0.00 C
71ATOM 67 OD1 ASP A 9 36.088 22.010 15.324 0.00 0.00 O
72ATOM 68 OD2 ASP A 9 36.821 23.974 15.951 0.00 0.00 O
73ATOM 69 N TYR A 10 33.316 24.220 12.040 0.00 0.00 N
74ATOM 70 CA TYR A 10 31.967 24.742 11.748 0.00 0.00 C
75ATOM 71 C TYR A 10 31.203 23.973 10.685 0.00 0.00 C
76ATOM 72 O TYR A 10 29.980 23.772 10.885 0.00 0.00 O
77ATOM 73 CB TYR A 10 31.951 26.230 11.367 0.00 0.00 C
78ATOM 74 CG TYR A 10 30.613 26.678 10.713 0.00 0.00 C
79ATOM 75 CD1 TYR A 10 30.563 26.886 9.350 0.00 0.00 C
80ATOM 76 CD2 TYR A 10 29.463 26.824 11.461 0.00 0.00 C
81ATOM 77 CE1 TYR A 10 29.377 27.275 8.733 0.00 0.00 C
82ATOM 78 CE2 TYR A 10 28.272 27.214 10.848 0.00 0.00 C
83ATOM 79 CZ TYR A 10 28.226 27.452 9.483 0.00 0.00 C
84ATOM 80 OH TYR A 10 27.365 27.683 9.060 0.00 0.00 O
85ATOM 81 N SER A 11 31.796 23.909 9.491 0.00 0.00 N
86ATOM 82 CA SER A 11 31.146 23.418 8.250 0.00 0.00 C
87ATOM 83 C SER A 11 30.463 22.048 8.303 0.00 0.00 C
88ATOM 84 O SER A 11 29.615 21.759 7.422 0.00 0.00 O
89ATOM 85 CB SER A 11 32.004 23.615 6.998 0.00 0.00 C
90ATOM 86 OG SER A 11 32.013 24.995 6.632 0.00 0.00 O
91ATOM 87 N LYS A 12 30.402 21.619 9.544 0.00 0.00 N
92ATOM 88 CA LYS A 12 29.792 20.460 10.189 0.00 0.00 C
93ATOM 89 C LYS A 12 28.494 20.817 10.932 0.00 0.00 C
94ATOM 90 O LYS A 12 27.597 19.943 10.980 0.00 0.00 O
95ATOM 91 CB LYS A 12 30.811 20.013 11.224 0.00 0.00 C
96ATOM 92 CG LYS A 12 30.482 18.661 11.833 0.00 0.00 C
97ATOM 93 CD LYS A 12 31.413 18.365 12.999 0.00 0.00 C
98ATOM 94 CE LYS A 12 31.243 16.937 13.498 0.00 0.00 C
99ATOM 95 NZ LYS A 12 32.121 16.717 14.652 0.00 0.00 N
100ATOM 96 N TYR A 13 28.583 21.742 11.894 0.00 0.00 N
101ATOM 97 CA TYR A 13 27.396 22.283 12.612 0.00 0.00 C
102ATOM 98 C TYR A 13 26.214 22.497 11.670 0.00 0.00 C
103ATOM 99 O TYR A 13 25.037 22.245 12.029 0.00 0.00 O
104ATOM 100 CB TYR A 13 27.730 23.578 13.385 0.00 0.00 C
105ATOM 101 CG TYR A 13 26.516 24.500 13.692 0.00 0.00 C
106ATOM 102 CD1 TYR A 13 25.798 24.377 14.867 0.00 0.00 C
107ATOM 103 CD2 TYR A 13 26.185 25.498 12.796 0.00 0.00 C
108ATOM 104 CE1 TYR A 13 24.713 25.228 15.120 0.00 0.00 C
109ATOM 105 CE2 TYR A 13 25.108 26.342 13.035 0.00 0.00 C
110ATOM 106 CZ TYR A 13 24.370 26.210 14.196 0.00 0.00 C
111ATOM 107 OH TYR A 13 23.202 26.933 14.347 0.00 0.00 O
112ATOM 108 N LEU A 14 26.522 22.993 10.494 0.00 0.00 N
113ATOM 109 CA LEU A 14 25.461 23.263 9.523 0.00 0.00 C
114ATOM 110 C LEU A 14 24.912 21.978 8.907 0.00 0.00 C
115ATOM 111 O LEU A 14 24.122 22.025 7.933 0.00 0.00 O
116ATOM 112 CB LEU A 14 25.923 24.242 8.447 0.00 0.00 C
117ATOM 113 CG LEU A 14 25.064 25.509 8.412 0.00 0.00 C
118ATOM 114 CD1 LEU A 14 25.564 26.496 7.505 0.00 0.00 C
119ATOM 115 CD2 LEU A 14 23.582 25.209 8.199 0.00 0.00 C
120ATOM 116 N ASP A 15 25.556 20.886 9.263 0.00 0.00 N
121ATOM 117 CA ASP A 15 25.075 19.552 8.885 0.00 0.00 C
122ATOM 118 C ASP A 15 24.208 19.002 10.009 0.00 0.00 C
123ATOM 119 O ASP A 15 23.550 17.940 9.861 0.00 0.00 O
124ATOM 120 CB ASP A 15 26.246 18.601 8.644 0.00 0.00 C
125ATOM 121 CG ASP A 15 26.260 18.121 7.196 0.00 0.00 C
126ATOM 122 OD1 ASP A 15 26.021 18.946 6.280 0.00 0.00 O
127ATOM 123 OD2 ASP A 15 26.732 16.984 6.946 0.00 0.00 O
128ATOM 124 N SER A 16 24.015 19.861 10.986 0.00 0.00 N
129ATOM 125 CA SER A 16 23.180 19.548 12.149 0.00 0.00 C
130ATOM 126 C SER A 16 21.923 20.414 12.167 0.00 0.00 C
131ATOM 127 O SER A 16 20.841 19.941 12.598 0.00 0.00 O
132ATOM 128 CB SER A 16 23.981 19.746 13.437 0.00 0.00 C
133ATOM 129 OG SER A 16 23.327 19.102 14.524 0.00 0.00 O
134ATOM 130 N ARG A 17 22.037 21.605 11.597 0.00 0.00 N
135ATOM 131 CA ARG A 17 20.875 22.504 11.583 0.00 0.00 C
136ATOM 132 C ARG A 17 19.868 22.156 10.491 0.00 0.00 C
137ATOM 133 O ARG A 17 18.665 22.015 10.809 0.00 0.00 O
138ATOM 134 CB ARG A 17 21.214 23.997 11.557 0.00 0.00 C
139ATOM 135 CG ARG A 17 20.010 24.800 12.063 0.00 0.00 C
140ATOM 136 CD ARG A 17 19.570 25.929 11.132 0.00 0.00 C
141ATOM 137 NE ARG A 17 20.149 27.218 11.537 0.00 0.00 N
142ATOM 138 CZ ARG A 17 19.828 28.351 10.936 0.00 0.00 C
143ATOM 139 NH1 ARG A 17 19.319 28.304 9.720 0.00 0.00 N
144ATOM 140 NH2 ARG A 17 20.351 29.485 11.362 0.00 0.00 N
145ATOM 141 N ARG A 18 20.378 21.725 9.348 0.00 0.00 N
146ATOM 142 CA ARG A 18 19.530 21.258 8.235 0.00 0.00 C
147ATOM 143 C ARG A 18 19.148 19.796 8.478 0.00 0.00 C
148ATOM 144 O ARG A 18 18.326 19.189 7.741 0.00 0.00 O
149ATOM 145 CB ARG A 18 20.237 21.481 6.888 0.00 0.00 C
150ATOM 146 CG ARG A 18 19.384 21.236 5.634 0.00 0.00 C
151ATOM 147 CD ARG A 18 19.623 19.860 5.005 0.00 0.00 C
152ATOM 148 NE ARG A 18 20.029 19.997 3.600 0.00 0.00 N
153ATOM 149 CZ ARG A 18 19.398 19.415 2.597 0.00 0.00 C
154ATOM 150 NH1 ARG A 18 18.483 18.493 2.835 0.00 0.00 N
155ATOM 151 NH2 ARG A 18 19.831 19.597 1.364 0.00 0.00 N
156ATOM 152 N ALA A 19 19.560 19.319 9.623 0.00 0.00 N
157ATOM 153 CA ALA A 19 19.126 17.991 10.053 0.00 0.00 C
158ATOM 154 C ALA A 19 18.002 18.136 11.071 0.00 0.00 C
159ATOM 155 O ALA A 19 16.933 17.494 10.922 0.00 0.00 O
160ATOM 156 CB ALA A 19 20.285 17.187 10.629 0.00 0.00 C
161ATOM 157 N GLN A 20 18.094 19.241 11.783 0.00 0.00 N
162ATOM 158 CA GLN A 20 17.013 19.632 12.689 0.00 0.00 C
163ATOM 159 C GLN A 20 15.897 20.314 11.905 0.00 0.00 C
164ATOM 160 O GLN A 20 14.701 20.031 12.162 0.00 0.00 O
165ATOM 161 CB GLN A 20 17.513 20.538 13.821 0.00 0.00 C
166ATOM 162 CG GLN A 20 16.699 21.829 13.936 0.00 0.00 C
167ATOM 163 CD GLN A 20 16.591 22.277 15.393 0.00 0.00 C
168ATOM 164 OE1 GLN A 20 17.533 22.060 16.194 0.00 0.00 O
169ATOM 165 NE2 GLN A 20 15.356 22.544 15.773 0.00 0.00 N
170ATOM 166 N ASP A 21 16.292 20.724 10.714 0.00 0.00 N
171ATOM 167 CA ASP A 21 15.405 21.490 9.835 0.00 0.00 C
172ATOM 168 C ASP A 21 14.451 20.565 9.120 0.00 0.00 C
173ATOM 169 O ASP A 21 13.245 20.850 8.962 0.00 0.00 O
174ATOM 170 CB ASP A 21 16.212 22.278 8.809 0.00 0.00 C
175ATOM 171 CG ASP A 21 15.427 23.525 8.413 0.00 0.00 C
176ATOM 172 OD1 ASP A 21 15.031 24.298 9.321 0.00 0.00 O
177ATOM 173 OD2 ASP A 21 15.316 23.827 7.200 0.00 0.00 O
178ATOM 174 N PHE A 22 14.987 19.373 8.843 0.00 0.00 N
179ATOM 175 CA PHE A 22 14.216 18.253 8.289 0.00 0.00 C
180ATOM 176 C PHE A 22 13.098 17.860 9.246 0.00 0.00 C
181ATOM 177 O PHE A 22 11.956 17.556 8.818 0.00 0.00 O
182ATOM 178 CB PHE A 22 15.134 17.038 8.105 0.00 0.00 C
183ATOM 179 CG PHE A 22 14.349 15.761 7.724 0.00 0.00 C
184ATOM 180 CD1 PHE A 22 14.022 15.527 6.410 0.00 0.00 C
185ATOM 181 CD2 PHE A 22 13.992 14.842 8.689 0.00 0.00 C
186ATOM 182 CE1 PHE A 22 13.302 14.391 6.050 0.00 0.00 C
187ATOM 183 CE2 PHE A 22 13.269 13.708 8.340 0.00 0.00 C
188ATOM 184 CZ PHE A 22 12.917 13.483 7.018 0.00 0.00 C
189ATOM 185 N VAL A 23 13.455 17.883 10.517 0.00 0.00 N
190ATOM 186 CA VAL A 23 12.574 17.403 11.589 0.00 0.00 C
191ATOM 187 C VAL A 23 11.283 18.205 11.729 0.00 0.00 C
192ATOM 188 O VAL A 23 10.233 17.600 12.052 0.00 0.00 O
193ATOM 189 CB VAL A 23 13.339 17.278 12.906 0.00 0.00 C
194ATOM 190 CG1 VAL A 23 12.441 17.004 14.108 0.00 0.00 C
195ATOM 191 CG2 VAL A 23 14.455 16.248 12.794 0.00 0.00 C
196ATOM 192 N GLN A 24 11.255 19.253 10.941 0.00 0.00 N
197ATOM 193 CA GLN A 24 10.082 20.114 10.818 0.00 0.00 C
198ATOM 194 C GLN A 24 9.158 19.638 9.692 0.00 0.00 C
199ATOM 195 O GLN A 24 7.959 19.990 9.663 0.00 0.00 O
200ATOM 196 CB GLN A 24 10.575 21.521 10.498 0.00 0.00 C
201ATOM 197 CG GLN A 24 9.505 22.591 10.661 0.00 0.00 C
202ATOM 198 CD GLN A 24 9.964 23.862 9.956 0.00 0.00 C
203ATOM 199 OE1 GLN A 24 10.079 24.941 10.587 0.00 0.00 O
204ATOM 200 NE2 GLN A 24 10.086 23.739 8.649 0.00 0.00 N
205ATOM 201 N TRP A 25 9.723 19.074 8.651 0.00 0.00 N
206ATOM 202 CA TRP A 25 8.899 18.676 7.495 0.00 0.00 C
207ATOM 203 C TRP A 25 8.118 17.395 7.751 0.00 0.00 C
208ATOM 204 O TRP A 25 6.860 17.395 7.725 0.00 0.00 O
209ATOM 205 CB TRP A 25 9.761 18.442 6.262 0.00 0.00 C
210ATOM 206 CG TRP A 25 8.871 18.331 5.004 0.00 0.00 C
211ATOM 207 CD1 TRP A 25 8.097 19.279 4.442 0.00 0.00 C
212ATOM 208 CD2 TRP A 25 8.640 17.180 4.249 0.00 0.00 C
213ATOM 209 NE1 TRP A 25 7.041 18.780 3.259 0.00 0.00 N
214ATOM 210 CE2 TRP A 25 7.873 17.564 3.121 0.00 0.00 C
215ATOM 211 CE3 TRP A 25 9.124 15.884 4.378 0.00 0.00 C
216ATOM 212 CZ2 TRP A 25 7.726 16.765 2.003 0.00 0.00 C
217ATOM 213 CZ3 TRP A 25 8.870 15.038 3.296 0.00 0.00 C
218ATOM 214 CH2 TRP A 25 8.216 15.469 2.140 0.00 0.00 C
219ATOM 215 N LEU A 26 8.857 16.484 8.346 0.00 0.00 N
220ATOM 216 CA LEU A 26 8.377 15.159 8.741 0.00 0.00 C
221ATOM 217 C LEU A 26 7.534 15.279 10.012 0.00 0.00 C
222ATOM 218 O LEU A 26 6.755 14.347 10.331 0.00 0.00 O
223ATOM 219 CB LEU A 26 9.611 14.267 8.924 0.00 0.00 C
224ATOM 220 CG LEU A 26 9.342 12.810 9.303 0.00 0.00 C
225ATOM 221 CD1 LEU A 26 8.223 12.149 8.505 0.00 0.00 C
226ATOM 222 CD2 LEU A 26 10.637 11.982 9.250 0.00 0.00 C
227ATOM 223 N MET A 27 7.281 16.544 10.320 0.00 0.00 N
228ATOM 224 CA MET A 27 6.446 16.959 11.451 0.00 0.00 C
229ATOM 225 C MET A 27 5.607 18.227 11.219 0.00 0.00 C
230ATOM 226 O MET A 27 4.823 18.240 10.244 0.00 0.00 O
231ATOM 227 CB MET A 27 7.327 17.118 12.679 0.00 0.00 C
232ATOM 228 CG MET A 27 6.518 17.289 13.953 0.00 0.00 C
233ATOM 229 SD MET A 27 7.301 18.326 15.196 0.00 0.00 S
234ATOM 230 CE MET A 27 5.833 18.677 16.178 0.00 0.00 C
235ATOM 231 N ASN A 28 6.147 19.366 11.620 0.00 0.00 N
236ATOM 232 CA ASN A 28 5.399 20.637 11.728 0.00 0.00 C
237ATOM 233 C ASN A 28 3.878 20.587 11.716 0.00 0.00 C
238ATOM 234 O ASN A 28 3.252 21.114 10.763 0.00 0.00 O
239ATOM 235 CB ASN A 28 5.874 21.774 10.843 0.00 0.00 C
240ATOM 236 CG ASN A 28 6.246 22.905 11.791 0.00 0.00 C
241ATOM 237 OD1 ASN A 28 6.929 22.629 12.807 0.00 0.00 O
242ATOM 238 ND2 ASN A 28 6.271 24.085 11.229 0.00 0.00 N
243ATOM 239 N THR A 29 3.391 19.940 12.762 0.00 0.00 N
244ATOM 240 CA THR A 29 2.014 19.761 13.283 0.00 0.00 C
245ATOM 241 C THR A 29 0.826 19.943 12.332 0.00 0.00 C
246ATOM 242 O THR A 29 0.932 19.600 11.133 0.00 0.00 O
247ATOM 243 CB THR A 29 1.845 20.667 14.505 0.00 0.00 C
248ATOM 244 OG1 THR A 29 1.214 21.893 14.153 0.00 0.00 O
249ATOM 245 CG2 THR A 29 3.180 20.968 15.185 0.00 0.00 C
250ATOM 246 OXT THR A 29 -0.317 20.109 12.824 0.00 0.00 O
251END