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root/group/trunk/SHAPES/1ypiH10.pdb
Revision: 1240
Committed: Fri Jun 4 16:11:27 2004 UTC (20 years, 2 months ago) by gezelter
File size: 16692 byte(s)
Log Message:
Initial import of SHAPES code

File Contents

# Content
1 COMPND TRIOSE PHOSPHATE ISOMERASE (/TIM$) (E.C.5.3.1.1)
2 REMARK 1 PDB: 226 227 228 229 230 231 232
3 REMARK 1 MMOD: 226 227 228 229 230 231 232 /
4 ATOM 1 N ALA A 175 30.959 48.881 42.995 1.00 18.65 0
5 ATOM 2 CA ALA A 175 30.862 48.092 41.763 1.00 18.82 0
6 ATOM 3 C ALA A 175 30.888 49.078 40.532 1.00 18.59 0
7 ATOM 4 O ALA A 175 30.215 50.063 40.532 1.00 18.86 0
8 ATOM 5 CB ALA A 175 29.457 47.403 41.714 1.00 18.87 0
9 ATOM 6 N ALA A 176 31.642 48.585 39.547 1.00 18.06 0
10 ATOM 7 CA ALA A 176 31.729 49.374 38.316 1.00 18.03 0
11 ATOM 8 C ALA A 176 30.648 48.782 37.380 1.00 18.06 0
12 ATOM 9 O ALA A 176 30.343 47.600 37.331 1.00 18.12 0
13 ATOM 10 CB ALA A 176 33.145 49.374 37.873 1.00 18.11 0
14 ATOM 11 N THR A 177 29.990 49.768 36.691 1.00 17.60 0
15 ATOM 12 CA THR A 177 29.032 49.176 35.706 1.00 17.26 0
16 ATOM 13 C THR A 177 29.671 49.374 34.376 1.00 17.41 0
17 ATOM 14 O THR A 177 30.713 50.063 34.277 1.00 17.62 0
18 ATOM 15 CB THR A 177 27.685 49.965 35.804 1.00 17.06 0
19 ATOM 16 OG1 THR A 177 27.944 51.147 35.115 1.00 16.65 0
20 ATOM 17 CG2 THR A 177 27.227 50.063 37.232 1.00 16.82 0
21 ATOM 18 N PRO A 178 29.143 48.782 33.342 1.00 17.18 0
22 ATOM 19 CA PRO A 178 29.599 48.881 32.012 1.00 17.14 0
23 ATOM 20 C PRO A 178 29.425 50.359 31.569 1.00 17.16 0
24 ATOM 21 O PRO A 178 30.116 50.852 30.682 1.00 16.50 0
25 ATOM 22 CB PRO A 178 28.637 47.994 31.224 1.00 16.90 0
26 ATOM 23 CG PRO A 178 28.065 47.008 32.258 1.00 17.01 0
27 ATOM 24 CD PRO A 178 27.918 47.895 33.440 1.00 17.26 0
28 ATOM 25 N GLU A 179 28.494 51.049 32.209 1.00 17.72 0
29 ATOM 26 CA GLU A 179 28.194 52.429 31.913 1.00 18.55 0
30 ATOM 27 C GLU A 179 29.346 53.217 32.406 1.00 19.00 0
31 ATOM 28 O GLU A 179 29.789 54.203 31.667 1.00 19.20 0
32 ATOM 29 CB GLU A 179 26.839 52.921 32.406 1.00 18.55 0
33 ATOM 30 CG GLU A 179 25.633 52.429 31.569 1.00 18.87 0
34 ATOM 31 CD GLU A 179 25.203 51.049 31.667 1.00 19.06 0
35 ATOM 32 OE1 GLU A 179 25.426 50.359 32.701 1.00 19.57 0
36 ATOM 33 OE2 GLU A 179 24.613 50.556 30.633 1.00 18.79 0
37 ATOM 34 N ASP A 180 29.872 52.921 33.539 1.00 19.57 0
38 ATOM 35 CA ASP A 180 31.082 53.513 34.179 1.00 19.51 0
39 ATOM 36 C ASP A 180 32.264 53.316 33.243 1.00 19.40 0
40 ATOM 37 O ASP A 180 33.123 54.203 33.095 1.00 20.06 0
41 ATOM 38 CB ASP A 180 31.299 52.724 35.509 1.00 20.66 0
42 ATOM 39 CG ASP A 180 30.542 53.414 36.592 1.00 21.53 0
43 ATOM 40 OD1 ASP A 180 31.135 54.104 37.479 1.00 22.57 0
44 ATOM 41 OD2 ASP A 180 29.321 53.513 36.494 1.00 22.20 0
45 ATOM 42 N ALA A 181 32.397 52.133 32.701 1.00 18.82 0
46 ATOM 43 CA ALA A 181 33.455 51.739 31.815 1.00 18.16 0
47 ATOM 44 C ALA A 181 33.362 52.429 30.436 1.00 17.88 0
48 ATOM 45 O ALA A 181 34.352 52.921 29.894 1.00 17.35 0
49 ATOM 46 CB ALA A 181 33.518 50.261 31.716 1.00 18.37 0
50 ATOM 47 N GLN A 182 32.149 52.429 29.944 1.00 18.06 0
51 ATOM 48 CA GLN A 182 31.871 53.118 28.614 1.00 17.75 0
52 ATOM 49 C GLN A 182 32.359 54.498 28.663 1.00 17.95 0
53 ATOM 50 O GLN A 182 33.111 54.991 27.826 1.00 17.74 0
54 ATOM 51 CB GLN A 182 30.413 53.020 28.171 1.00 17.42 0
55 ATOM 52 CG GLN A 182 30.137 53.217 26.742 1.00 17.24 0
56 ATOM 53 CD GLN A 182 31.136 53.513 25.757 1.00 17.56 0
57 ATOM 54 OE1 GLN A 182 31.090 54.498 25.019 1.00 18.08 0
58 ATOM 55 NE2 GLN A 182 32.118 52.724 25.610 1.00 17.63 0
59 ATOM 56 N ASP A 183 31.910 55.188 29.697 1.00 18.32 0
60 ATOM 57 CA ASP A 183 32.270 56.568 29.993 1.00 19.28 0
61 ATOM 58 C ASP A 183 33.737 56.863 30.042 1.00 18.54 0
62 ATOM 59 O ASP A 183 34.242 57.652 29.303 1.00 19.09 0
63 ATOM 60 CB ASP A 183 31.689 56.962 31.470 1.00 21.16 0
64 ATOM 61 CG ASP A 183 31.990 58.440 31.716 1.00 22.62 0
65 ATOM 62 OD1 ASP A 183 31.705 59.130 30.731 1.00 23.58 0
66 ATOM 63 OD2 ASP A 183 32.395 58.834 32.800 1.00 23.11 0
67 ATOM 64 N ILE A 184 34.453 56.174 30.879 1.00 17.07 0
68 ATOM 65 CA ILE A 184 35.855 56.371 31.125 1.00 16.41 0
69 ATOM 66 C ILE A 184 36.734 56.075 29.993 1.00 16.31 0
70 ATOM 67 O ILE A 184 37.897 56.568 29.944 1.00 16.91 0
71 ATOM 68 CB ILE A 184 36.256 55.582 32.406 1.00 16.00 0
72 ATOM 69 CG1 ILE A 184 35.316 55.976 33.489 1.00 15.97 0
73 ATOM 70 CG2 ILE A 184 37.656 55.878 32.701 1.00 16.10 0
74 ATOM 71 CD1 ILE A 184 35.167 55.188 34.770 1.00 15.57 0
75 ATOM 72 N HIS A 185 36.325 55.188 29.106 1.00 15.47 0
76 ATOM 73 CA HIS A 185 37.144 54.695 27.974 1.00 14.77 0
77 ATOM 74 C HIS A 185 36.984 55.779 26.841 1.00 13.79 0
78 ATOM 75 O HIS A 185 37.917 56.075 26.102 1.00 13.25 0
79 ATOM 76 CB HIS A 185 36.604 53.414 27.481 1.00 15.43 0
80 ATOM 77 CG HIS A 185 37.016 52.133 28.220 1.00 15.82 0
81 ATOM 78 ND1 HIS A 185 37.337 50.950 27.481 1.00 16.28 0
82 ATOM 79 CD2 HIS A 185 37.172 51.837 29.550 1.00 16.20 0
83 ATOM 80 CE1 HIS A 185 37.624 50.063 28.417 1.00 16.41 0
84 ATOM 81 NE2 HIS A 185 37.537 50.556 29.648 1.00 16.45 0
85 ATOM 82 N ALA A 186 35.764 56.174 26.693 1.00 13.35 0
86 ATOM 83 CA ALA A 186 35.419 57.159 25.659 1.00 13.14 0
87 ATOM 84 C ALA A 186 36.272 58.440 25.807 1.00 13.40 0
88 ATOM 85 O ALA A 186 36.781 59.031 24.871 1.00 13.31 0
89 ATOM 86 CB ALA A 186 33.948 57.455 25.807 1.00 12.93 0
90 ATOM 87 N SER A 187 36.368 58.933 27.038 1.00 13.81 0
91 ATOM 88 CA SER A 187 37.027 59.918 27.678 1.00 13.81 0
92 ATOM 89 C SER A 187 38.560 59.820 27.481 1.00 13.95 0
93 ATOM 90 O SER A 187 39.241 60.707 27.087 1.00 14.59 0
94 ATOM 91 CB SER A 187 36.753 60.116 29.106 1.00 14.28 0
95 ATOM 92 OG SER A 187 35.526 60.805 29.303 1.00 15.44 0
96 ATOM 93 N ILE A 188 38.981 58.637 27.826 1.00 13.19 0
97 ATOM 94 CA ILE A 188 40.391 58.243 27.678 1.00 12.33 0
98 ATOM 95 C ILE A 188 40.727 58.342 26.201 1.00 12.13 0
99 ATOM 96 O ILE A 188 41.836 58.834 25.807 1.00 11.27 0
100 ATOM 97 CB ILE A 188 40.688 56.765 28.072 1.00 12.14 0
101 ATOM 98 CG1 ILE A 188 40.473 56.666 29.599 1.00 12.27 0
102 ATOM 99 CG2 ILE A 188 42.042 56.371 27.678 1.00 12.13 0
103 ATOM 100 CD1 ILE A 188 41.495 55.976 30.436 1.00 12.04 0
104 ATOM 101 N ARG A 189 39.827 57.849 25.413 1.00 12.34 0
105 ATOM 102 CA ARG A 189 40.041 57.849 23.935 1.00 13.21 0
106 ATOM 103 C ARG A 189 40.296 59.327 23.443 1.00 14.24 0
107 ATOM 104 O ARG A 189 41.348 59.623 22.852 1.00 14.10 0
108 ATOM 105 CB ARG A 189 38.958 57.159 23.098 1.00 12.97 0
109 ATOM 106 CG ARG A 189 39.658 56.666 21.768 1.00 13.02 0
110 ATOM 107 CD ARG A 189 38.761 56.075 20.832 1.00 13.21 0
111 ATOM 108 NE ARG A 189 38.137 54.892 21.423 1.00 13.57 0
112 ATOM 109 CZ ARG A 189 38.870 53.710 21.473 1.00 13.52 0
113 ATOM 110 NH1 ARG A 189 38.307 52.626 22.064 1.00 13.94 0
114 ATOM 111 NH2 ARG A 189 39.984 53.611 20.832 1.00 13.13 0
115 ATOM 112 N LYS A 190 39.373 60.116 23.738 1.00 15.17 0
116 ATOM 113 CA LYS A 190 39.380 61.594 23.393 1.00 15.87 0
117 ATOM 114 C LYS A 190 40.716 62.185 23.837 1.00 14.97 0
118 ATOM 115 O LYS A 190 41.465 62.875 23.098 1.00 15.10 0
119 ATOM 116 CB LYS A 190 38.264 62.284 24.132 1.00 17.59 0
120 ATOM 117 CG LYS A 190 37.608 63.368 23.295 1.00 19.63 0
121 ATOM 118 CD LYS A 190 37.099 64.550 24.280 1.00 21.12 0
122 ATOM 119 CE LYS A 190 36.991 65.831 23.590 1.00 22.06 0
123 ATOM 120 NZ LYS A 190 38.147 66.718 23.837 1.00 22.69 0
124 ATOM 121 N PHE A 191 41.057 61.791 25.068 1.00 13.92 0
125 ATOM 122 CA PHE A 191 42.331 62.382 25.560 1.00 12.92 0
126 ATOM 123 C PHE A 191 43.391 61.988 24.575 1.00 13.22 0
127 ATOM 124 O PHE A 191 44.076 62.875 23.984 1.00 13.34 0
128 ATOM 125 CB PHE A 191 42.606 62.185 27.038 1.00 11.98 0
129 ATOM 126 CG PHE A 191 44.004 62.481 27.432 1.00 11.77 0
130 ATOM 127 CD1 PHE A 191 44.368 63.860 27.580 1.00 12.07 0
131 ATOM 128 CD2 PHE A 191 44.979 61.594 27.580 1.00 11.72 0
132 ATOM 129 CE1 PHE A 191 45.643 64.255 27.974 1.00 12.14 0
133 ATOM 130 CE2 PHE A 191 46.316 61.889 27.974 1.00 11.79 0
134 ATOM 131 CZ PHE A 191 46.618 63.269 28.171 1.00 11.78 0
135 ATOM 132 N LEU A 192 43.640 60.707 24.378 1.00 12.52 0
136 ATOM 133 CA LEU A 192 44.638 60.214 23.443 1.00 12.15 0
137 ATOM 134 C LEU A 192 44.483 60.707 22.064 1.00 12.02 0
138 ATOM 135 O LEU A 192 45.538 60.904 21.325 1.00 12.45 0
139 ATOM 136 CB LEU A 192 44.698 58.736 23.492 1.00 12.09 0
140 ATOM 137 CG LEU A 192 45.595 57.849 24.428 1.00 12.17 0
141 ATOM 138 CD1 LEU A 192 46.684 58.637 25.019 1.00 11.76 0
142 ATOM 139 CD2 LEU A 192 44.780 57.060 25.413 1.00 12.14 0
143 ATOM 140 N ALA A 193 43.332 61.002 21.571 1.00 11.83 0
144 ATOM 141 CA ALA A 193 43.055 61.594 20.192 1.00 11.51 0
145 ATOM 142 C ALA A 193 43.731 62.875 19.995 1.00 11.66 0
146 ATOM 143 O ALA A 193 44.061 63.368 18.862 1.00 11.77 0
147 ATOM 144 CB ALA A 193 41.590 61.594 20.044 1.00 10.57 0
148 ATOM 145 N SER A 194 43.954 63.663 21.029 1.00 11.78 0
149 ATOM 146 CA SER A 194 44.504 64.944 21.079 1.00 11.83 0
150 ATOM 147 C SER A 194 45.971 64.944 21.079 1.00 12.40 0
151 ATOM 148 O SER A 194 46.596 65.831 20.438 1.00 12.05 0
152 ATOM 149 CB SER A 194 43.808 65.733 22.162 1.00 12.11 0
153 ATOM 150 OG SER A 194 44.331 65.634 23.492 1.00 12.83 0
154 ATOM 151 N LYS A 195 46.570 63.959 21.670 1.00 12.32 0
155 ATOM 152 CA LYS A 195 48.036 63.762 21.768 1.00 12.56 0
156 ATOM 153 C LYS A 195 48.611 62.973 20.586 1.00 12.90 0
157 ATOM 154 O LYS A 195 49.723 63.269 20.044 1.00 13.08 0
158 ATOM 155 CB LYS A 195 48.375 62.973 23.098 1.00 12.76 0
159 ATOM 156 CG LYS A 195 47.678 63.762 24.280 1.00 13.17 0
160 ATOM 157 CD LYS A 195 48.229 65.142 24.231 1.00 13.25 0
161 ATOM 158 CE LYS A 195 48.569 65.831 25.511 1.00 13.56 0
162 ATOM 159 NZ LYS A 195 47.643 66.817 25.954 1.00 14.06 0
163 ATOM 160 N LEU A 196 47.826 62.087 20.094 1.00 13.20 0
164 ATOM 161 CA LEU A 196 48.216 61.200 19.010 1.00 13.31 0
165 ATOM 162 C LEU A 196 47.448 61.397 17.730 1.00 13.58 0
166 ATOM 163 O LEU A 196 47.958 60.805 16.745 1.00 13.48 0
167 ATOM 164 CB LEU A 196 47.901 59.820 19.453 1.00 13.20 0
168 ATOM 165 CG LEU A 196 48.742 58.834 20.192 1.00 12.75 0
169 ATOM 166 CD1 LEU A 196 50.077 59.327 20.685 1.00 11.98 0
170 ATOM 167 CD2 LEU A 196 47.861 58.243 21.374 1.00 13.01 0
171 ATOM 168 N GLY A 197 46.287 61.988 17.680 1.00 14.10 0
172 ATOM 169 CA GLY A 197 45.519 62.087 16.400 1.00 14.94 0
173 ATOM 170 C GLY A 197 44.416 61.101 16.498 1.00 15.97 0
174 ATOM 171 O GLY A 197 44.650 59.918 16.991 1.00 16.48 0
175 ATOM 172 N ASP A 198 43.266 61.397 15.957 1.00 16.30 0
176 ATOM 173 CA ASP A 198 42.103 60.608 16.006 1.00 16.80 0
177 ATOM 174 C ASP A 198 42.242 59.229 15.218 1.00 16.76 0
178 ATOM 175 O ASP A 198 41.561 58.342 15.612 1.00 16.49 0
179 ATOM 176 CB ASP A 198 40.827 61.298 15.612 1.00 17.64 0
180 ATOM 177 CG ASP A 198 40.914 62.185 14.381 1.00 17.97 0
181 ATOM 178 OD1 ASP A 198 41.964 62.579 13.888 1.00 18.53 0
182 ATOM 179 OD2 ASP A 198 39.822 62.481 13.938 1.00 18.84 0
183 ATOM 180 N LYS A 199 43.118 59.229 14.233 1.00 17.00 0
184 ATOM 181 CA LYS A 199 43.317 57.947 13.494 1.00 17.37 0
185 ATOM 182 C LYS A 199 43.970 56.962 14.430 1.00 16.94 0
186 ATOM 183 O LYS A 199 43.416 55.878 14.627 1.00 16.79 0
187 ATOM 184 CB LYS A 199 44.199 58.145 12.263 1.00 18.86 0
188 ATOM 185 CG LYS A 199 43.853 56.962 11.278 1.00 20.81 0
189 ATOM 186 CD LYS A 199 42.647 57.356 10.441 1.00 22.58 0
190 ATOM 187 CE LYS A 199 41.845 58.539 10.786 1.00 23.32 0
191 ATOM 188 NZ LYS A 199 40.487 58.145 11.426 1.00 23.87 0
192 ATOM 189 N ALA A 200 45.120 57.258 15.021 1.00 16.53 0
193 ATOM 190 CA ALA A 200 45.834 56.371 15.957 1.00 15.94 0
194 ATOM 191 C ALA A 200 44.953 56.075 17.139 1.00 16.12 0
195 ATOM 192 O ALA A 200 44.822 54.892 17.582 1.00 16.16 0
196 ATOM 193 CB ALA A 200 47.108 57.060 16.449 1.00 16.09 0
197 ATOM 194 N ALA A 201 44.270 57.060 17.631 1.00 15.48 0
198 ATOM 195 CA ALA A 201 43.389 56.765 18.813 1.00 15.06 0
199 ATOM 196 C ALA A 201 42.238 55.878 18.321 1.00 14.86 0
200 ATOM 197 O ALA A 201 41.730 55.188 19.207 1.00 14.57 0
201 ATOM 198 CB ALA A 201 43.068 57.947 19.552 1.00 14.95 0
202 ATOM 199 N SER A 202 41.836 55.878 17.089 1.00 14.76 0
203 ATOM 200 CA SER A 202 40.620 55.089 16.745 1.00 14.89 0
204 ATOM 201 C SER A 202 40.989 53.611 16.646 1.00 15.48 0
205 ATOM 202 O SER A 202 40.068 52.724 16.794 1.00 15.82 0
206 ATOM 203 CB SER A 202 39.974 55.582 15.464 1.00 14.57 0
207 ATOM 204 OG SER A 202 40.792 55.385 14.381 1.00 14.41 0
208 ATOM 205 N GLU A 203 42.217 53.316 16.400 1.00 15.95 0
209 ATOM 206 CA GLU A 203 42.647 51.936 16.301 1.00 16.23 0
210 ATOM 207 C GLU A 203 43.232 51.345 17.582 1.00 15.77 0
211 ATOM 208 O GLU A 203 43.601 50.162 17.483 1.00 16.10 0
212 ATOM 209 CB GLU A 203 43.771 51.936 15.169 1.00 17.03 0
213 ATOM 210 CG GLU A 203 43.189 52.034 13.790 1.00 17.97 0
214 ATOM 211 CD GLU A 203 43.884 52.724 12.706 1.00 18.85 0
215 ATOM 212 OE1 GLU A 203 45.108 52.823 12.657 1.00 19.17 0
216 ATOM 213 OE2 GLU A 203 43.109 53.217 11.771 1.00 19.39 0
217 ATOM 214 N LEU A 204 43.393 52.133 18.616 1.00 14.43 0
218 ATOM 215 CA LEU A 204 43.979 51.640 19.847 1.00 13.60 0
219 ATOM 216 C LEU A 204 42.922 50.950 20.685 1.00 12.88 0
220 ATOM 217 O LEU A 204 41.758 51.345 20.783 1.00 12.84 0
221 ATOM 218 CB LEU A 204 44.514 52.823 20.586 1.00 13.64 0
222 ATOM 219 CG LEU A 204 45.096 52.626 22.014 1.00 13.61 0
223 ATOM 220 CD1 LEU A 204 46.563 52.330 22.014 1.00 13.11 0
224 ATOM 221 CD2 LEU A 204 44.835 53.907 22.802 1.00 13.44 0
225 ATOM 222 N ARG A 205 43.278 49.768 21.226 1.00 11.52 0
226 ATOM 223 CA ARG A 205 42.343 48.979 22.064 1.00 10.07 0
227 ATOM 224 C ARG A 205 42.435 49.374 23.492 1.00 8.76 0
228 ATOM 225 O ARG A 205 43.525 49.374 24.034 1.00 8.19 0
229 ATOM 226 CB ARG A 205 42.529 47.501 21.916 1.00 10.74 0
230 ATOM 227 CG ARG A 205 41.699 47.008 20.685 1.00 11.58 0
231 ATOM 228 CD ARG A 205 42.641 46.910 19.503 1.00 12.56 0
232 ATOM 229 NE ARG A 205 43.253 45.629 19.503 1.00 13.70 0
233 ATOM 230 CZ ARG A 205 44.539 45.530 19.404 1.00 14.07 0
234 ATOM 231 NH1 ARG A 205 45.336 44.446 19.306 1.00 13.64 0
235 ATOM 232 NH2 ARG A 205 45.089 46.713 19.404 1.00 14.66 0
236 TER 233 ARG A
237 END