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Ticket #4807: test.pdb

File test.pdb, 23.4 KB (added by goddard@…, 4 years ago)
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1	SEQRES 1 A 17 GLY CYS CYS SER ASP PRO ARG CYS ASN MET ASN ASN PRO
2	SEQRES 2 A 17 ASP TYR CYS NH2
3	SEQRES 1 B 17 GLY CYS CYS SER ASP PRO ARG CYS ASN MET ASN ASN PRO
4	SEQRES 2 B 17 ASP TYR CYS NH2
5	HELIX 1 1 CYS A 2 SER A 4 1 3
6	HELIX 2 2 PRO A 6 ASN A 11 1 6
7	HELIX 3 3 PRO B 6 MET B 10 1 5
8	SSBOND 1 CYS A 2 CYS A 8 1555 1555 2.03
9	SSBOND 2 CYS A 3 CYS A 16 1555 1555 2.03
10	SSBOND 3 CYS B 2 CYS B 8 1555 1555 2.04
11	SSBOND 4 CYS B 3 CYS B 16 1555 1555 2.03
12	ATOM 1 N GLY A 1 15.491 7.050 17.165 1.00 11.44 N
13	ATOM 2 CA GLY A 1 14.946 7.550 15.888 1.00 9.78 C
14	ATOM 3 C GLY A 1 16.011 7.604 14.814 1.00 8.93 C
15	ATOM 4 O GLY A 1 17.199 7.619 15.115 1.00 9.57 O
16	ATOM 5 N CYS A 2 15.573 7.664 13.560 1.00 8.03 N
17	ATOM 6 CA CYS A 2 16.451 7.725 12.392 1.00 7.79 C
18	ATOM 7 C CYS A 2 17.632 8.685 12.512 1.00 7.45 C
19	ATOM 8 O CYS A 2 18.784 8.309 12.282 1.00 7.87 O
20	ATOM 9 CB CYS A 2 15.625 8.123 11.166 1.00 8.65 C
21	ATOM 10 SG CYS A 2 16.605 8.617 9.709 1.00 8.63 S
22	ATOM 11 N CYS A 3 17.350 9.917 12.903 1.00 6.87 N
23	ATOM 12 CA CYS A 3 18.395 10.922 12.972 1.00 7.33 C
24	ATOM 13 C CYS A 3 19.516 10.679 13.975 1.00 7.43 C
25	ATOM 14 O CYS A 3 20.563 11.324 13.891 1.00 7.90 O
26	ATOM 15 CB CYS A 3 17.781 12.307 13.162 1.00 6.99 C
27	ATOM 16 SG CYS A 3 16.557 12.741 11.885 1.00 7.67 S
28	ATOM 17 N SER A 4 19.306 9.770 14.923 1.00 6.76 N
29	ATOM 18 CA SER A 4 20.343 9.480 15.909 1.00 7.99 C
30	ATOM 19 C SER A 4 21.439 8.582 15.332 1.00 8.60 C
31	ATOM 20 O SER A 4 22.515 8.453 15.920 1.00 9.95 O
32	ATOM 21 CB ASER A 4 19.727 8.798 17.132 0.50 7.83 C
33	ATOM 22 CB BSER A 4 19.734 8.854 17.167 0.50 10.09 C
34	ATOM 23 OG ASER A 4 18.735 9.612 17.726 0.50 5.30 O
35	ATOM 24 OG BSER A 4 19.092 7.628 16.880 0.50 14.05 O
36	ATOM 25 N ASP A 5 21.158 7.966 14.185 1.00 9.05 N
37	ATOM 26 CA ASP A 5 22.091 7.072 13.504 1.00 11.01 C
38	ATOM 27 C ASP A 5 22.718 7.829 12.338 1.00 10.20 C
39	ATOM 28 O ASP A 5 22.002 8.379 11.500 1.00 9.65 O
40	ATOM 29 CB ASP A 5 21.331 5.843 12.981 1.00 15.07 C
41	ATOM 30 CG ASP A 5 22.219 4.897 12.195 1.00 20.18 C
42	ATOM 31 OD1 ASP A 5 22.975 4.126 12.823 1.00 21.78 O
43	ATOM 32 OD2 ASP A 5 22.167 4.933 10.947 1.00 23.21 O
44	ATOM 33 N PRO A 6 24.060 7.821 12.228 1.00 8.44 N
45	ATOM 34 CA PRO A 6 24.749 8.532 11.145 1.00 9.67 C
46	ATOM 35 C PRO A 6 24.277 8.210 9.729 1.00 8.82 C
47	ATOM 36 O PRO A 6 24.070 9.119 8.925 1.00 10.54 O
48	ATOM 37 CB PRO A 6 26.218 8.138 11.347 1.00 11.63 C
49	ATOM 38 CG PRO A 6 26.309 7.904 12.817 1.00 12.94 C
50	ATOM 39 CD PRO A 6 25.030 7.139 13.102 1.00 10.76 C
51	ATOM 40 N ARG A 7 24.108 6.929 9.419 1.00 8.68 N
52	ATOM 41 CA ARG A 7 23.676 6.528 8.084 1.00 9.56 C
53	ATOM 42 C ARG A 7 22.276 7.054 7.747 1.00 9.72 C
54	ATOM 43 O ARG A 7 22.071 7.674 6.698 1.00 9.91 O
55	ATOM 44 CB ARG A 7 23.725 5.008 7.943 1.00 11.21 C
56	ATOM 45 N CYS A 8 21.326 6.846 8.652 1.00 8.44 N
57	ATOM 46 CA CYS A 8 19.960 7.306 8.421 1.00 7.65 C
58	ATOM 47 C CYS A 8 19.905 8.830 8.372 1.00 7.49 C
59	ATOM 48 O CYS A 8 19.215 9.416 7.536 1.00 7.83 O
60	ATOM 49 CB CYS A 8 19.028 6.785 9.512 1.00 7.84 C
61	ATOM 50 SG CYS A 8 17.281 6.837 8.999 1.00 9.23 S
62	ATOM 51 N ASN A 9 20.665 9.463 9.259 1.00 7.27 N
63	ATOM 52 CA ASN A 9 20.743 10.917 9.336 1.00 7.72 C
64	ATOM 53 C ASN A 9 21.202 11.491 7.986 1.00 8.16 C
65	ATOM 54 O ASN A 9 20.573 12.399 7.436 1.00 8.23 O
66	ATOM 55 CB ASN A 9 21.728 11.303 10.453 1.00 8.17 C
67	ATOM 56 CG ASN A 9 21.815 12.796 10.677 1.00 8.02 C
68	ATOM 57 OD1 ASN A 9 22.199 13.544 9.786 1.00 9.20 O
69	ATOM 58 ND2 ASN A 9 21.495 13.232 11.887 1.00 7.24 N
70	ATOM 59 N MET A 10 22.290 10.948 7.447 1.00 8.38 N
71	ATOM 60 CA MET A 10 22.812 11.419 6.173 1.00 10.20 C
72	ATOM 61 C MET A 10 21.882 11.158 4.996 1.00 9.44 C
73	ATOM 62 O MET A 10 21.917 11.889 4.010 1.00 9.60 O
74	ATOM 63 CB MET A 10 24.193 10.826 5.905 1.00 12.61 C
75	ATOM 64 CG MET A 10 25.291 11.631 6.568 1.00 18.88 C
76	ATOM 65 SD MET A 10 26.941 11.095 6.126 1.00 23.77 S
77	ATOM 66 CE MET A 10 26.826 11.051 4.322 1.00 22.37 C
78	ATOM 67 N ASN A 11 21.054 10.122 5.106 1.00 8.36 N
79	ATOM 68 CA ASN A 11 20.103 9.792 4.050 1.00 8.85 C
80	ATOM 69 C ASN A 11 18.877 10.690 4.133 1.00 8.72 C
81	ATOM 70 O ASN A 11 18.054 10.701 3.215 1.00 9.66 O
82	ATOM 71 CB ASN A 11 19.636 8.339 4.161 1.00 11.74 C
83	ATOM 72 CG ASN A 11 20.675 7.341 3.675 1.00 14.88 C
84	ATOM 73 OD1 ASN A 11 21.612 7.690 2.950 1.00 14.59 O
85	ATOM 74 ND2 ASN A 11 20.509 6.087 4.075 1.00 15.52 N
86	ATOM 75 N ASN A 12 18.742 11.427 5.235 1.00 7.60 N
87	ATOM 76 CA ASN A 12 17.589 12.310 5.435 1.00 7.11 C
88	ATOM 77 C ASN A 12 18.025 13.692 5.893 1.00 8.35 C
89	ATOM 78 O ASN A 12 17.667 14.141 6.981 1.00 8.46 O
90	ATOM 79 CB ASN A 12 16.645 11.701 6.471 1.00 7.23 C
91	ATOM 80 CG ASN A 12 15.963 10.449 5.968 1.00 6.59 C
92	ATOM 81 OD1 ASN A 12 14.901 10.517 5.352 1.00 7.20 O
93	ATOM 82 ND2 ASN A 12 16.574 9.299 6.216 1.00 7.10 N
94	ATOM 83 N PRO A 13 18.743 14.417 5.027 1.00 8.46 N
95	ATOM 84 CA PRO A 13 19.224 15.760 5.368 1.00 9.57 C
96	ATOM 85 C PRO A 13 18.152 16.818 5.669 1.00 9.88 C
97	ATOM 86 O PRO A 13 18.346 17.669 6.532 1.00 10.18 O
98	ATOM 87 CB PRO A 13 20.069 16.133 4.148 1.00 9.60 C
99	ATOM 88 CG PRO A 13 19.404 15.399 3.033 1.00 9.75 C
100	ATOM 89 CD PRO A 13 19.125 14.052 3.651 1.00 7.48 C
101	ATOM 90 N ASP A 14 17.019 16.761 4.978 1.00 9.68 N
102	ATOM 91 CA ASP A 14 15.976 17.765 5.196 1.00 10.40 C
103	ATOM 92 C ASP A 14 15.407 17.739 6.610 1.00 9.50 C
104	ATOM 93 O ASP A 14 15.258 18.780 7.246 1.00 10.55 O
105	ATOM 94 CB ASP A 14 14.819 17.591 4.201 1.00 12.49 C
106	ATOM 95 CG ASP A 14 15.249 17.721 2.752 1.00 15.05 C
107	ATOM 96 OD1 ASP A 14 16.388 18.150 2.476 1.00 16.81 O
108	ATOM 97 OD2 ASP A 14 14.419 17.382 1.880 1.00 19.99 O
109	ATOM 98 N TYR A 15 15.096 16.543 7.095 1.00 8.53 N
110	ATOM 99 CA TYR A 15 14.507 16.378 8.416 1.00 7.68 C
111	ATOM 100 C TYR A 15 15.533 16.347 9.553 1.00 8.69 C
112	ATOM 101 O TYR A 15 15.324 16.966 10.603 1.00 9.02 O
113	ATOM 102 CB TYR A 15 13.672 15.095 8.446 1.00 7.78 C
114	ATOM 103 CG TYR A 15 12.691 15.001 9.595 1.00 8.63 C
115	ATOM 104 CD1 TYR A 15 13.122 14.740 10.903 1.00 8.22 C
116	ATOM 105 CD2 TYR A 15 11.325 15.170 9.375 1.00 8.39 C
117	ATOM 106 CE1 TYR A 15 12.204 14.644 11.957 1.00 9.81 C
118	ATOM 107 CE2 TYR A 15 10.406 15.077 10.416 1.00 9.34 C
119	ATOM 108 CZ TYR A 15 10.849 14.818 11.703 1.00 8.34 C
120	ATOM 109 OH TYR A 15 9.932 14.738 12.723 1.00 9.96 O
121	ATOM 110 N CYS A 16 16.622 15.611 9.358 1.00 9.14 N
122	ATOM 111 CA CYS A 16 17.632 15.484 10.400 1.00 10.13 C
123	ATOM 112 C CYS A 16 18.472 16.742 10.602 1.00 13.70 C
124	ATOM 113 O CYS A 16 18.798 17.044 11.770 1.00 17.14 O
125	ATOM 114 CB CYS A 16 18.515 14.261 10.133 1.00 9.00 C
126	ATOM 115 SG CYS A 16 17.575 12.695 10.129 1.00 7.70 S
127	HETATM 116 N NH2 A 17 18.764 17.488 9.545 1.00 12.84 N
128	TER 117 NH2 A 17
129	ATOM 118 N GLY B 1 5.310 0.515 -2.085 1.00 14.36 N
130	ATOM 119 CA GLY B 1 5.827 1.845 -1.734 1.00 11.14 C
131	ATOM 120 C GLY B 1 6.583 1.798 -0.425 1.00 10.52 C
132	ATOM 121 O GLY B 1 6.375 0.901 0.397 1.00 10.58 O
133	ATOM 122 N CYS B 2 7.469 2.765 -0.230 1.00 8.49 N
134	ATOM 123 CA CYS B 2 8.263 2.843 0.986 1.00 7.86 C
135	ATOM 124 C CYS B 2 7.459 3.289 2.206 1.00 7.14 C
136	ATOM 125 O CYS B 2 7.480 2.634 3.249 1.00 7.72 O
137	ATOM 126 CB CYS B 2 9.440 3.798 0.787 1.00 8.43 C
138	ATOM 127 SG CYS B 2 10.393 4.143 2.305 1.00 7.87 S
139	ATOM 128 N CYS B 3 6.707 4.371 2.065 1.00 6.87 N
140	ATOM 129 CA CYS B 3 5.969 4.899 3.201 1.00 7.85 C
141	ATOM 130 C CYS B 3 4.834 4.026 3.723 1.00 8.60 C
142	ATOM 131 O CYS B 3 4.379 4.203 4.854 1.00 8.91 O
143	ATOM 132 CB CYS B 3 5.496 6.319 2.913 1.00 7.49 C
144	ATOM 133 SG CYS B 3 6.861 7.417 2.413 1.00 8.29 S
145	ATOM 134 N SER B 4 4.396 3.078 2.907 1.00 8.44 N
146	ATOM 135 CA SER B 4 3.346 2.153 3.296 1.00 10.62 C
147	ATOM 136 C SER B 4 3.919 0.916 4.013 1.00 9.99 C
148	ATOM 137 O SER B 4 3.173 0.069 4.511 1.00 12.14 O
149	ATOM 138 CB ASER B 4 2.496 1.746 2.086 0.50 10.01 C
150	ATOM 139 CB BSER B 4 2.589 1.730 2.039 0.50 11.68 C
151	ATOM 140 OG ASER B 4 3.299 1.483 0.950 0.50 9.86 O
152	ATOM 141 OG BSER B 4 1.610 0.766 2.336 0.50 16.28 O
153	ATOM 142 N ASP B 5 5.245 0.814 4.051 1.00 9.72 N
154	ATOM 143 CA ASP B 5 5.948 -0.289 4.710 1.00 9.78 C
155	ATOM 144 C ASP B 5 6.535 0.329 5.984 1.00 10.21 C
156	ATOM 145 O ASP B 5 7.426 1.171 5.915 1.00 8.56 O
157	ATOM 146 CB AASP B 5 7.076 -0.776 3.782 0.50 10.35 C
158	ATOM 147 CB BASP B 5 7.025 -0.873 3.791 0.50 12.00 C
159	ATOM 148 CG AASP B 5 7.994 -1.800 4.437 0.50 10.73 C
160	ATOM 149 CG BASP B 5 6.434 -1.672 2.630 0.50 14.78 C
161	ATOM 150 OD1AASP B 5 8.885 -1.411 5.225 0.50 11.55 O
162	ATOM 151 OD1BASP B 5 5.195 -1.816 2.555 0.50 17.49 O
163	ATOM 152 OD2AASP B 5 7.853 -3.001 4.133 0.50 12.90 O
164	ATOM 153 OD2BASP B 5 7.211 -2.170 1.790 0.50 17.24 O
165	ATOM 154 N PRO B 6 6.077 -0.121 7.166 1.00 9.55 N
166	ATOM 155 CA PRO B 6 6.556 0.411 8.451 1.00 9.78 C
167	ATOM 156 C PRO B 6 8.061 0.640 8.616 1.00 8.41 C
168	ATOM 157 O PRO B 6 8.480 1.717 9.042 1.00 7.78 O
169	ATOM 158 CB PRO B 6 6.021 -0.605 9.462 1.00 10.85 C
170	ATOM 159 CG PRO B 6 4.750 -1.072 8.820 1.00 12.80 C
171	ATOM 160 CD PRO B 6 5.174 -1.267 7.385 1.00 11.33 C
172	ATOM 161 N ARG B 7 8.879 -0.352 8.292 1.00 8.03 N
173	ATOM 162 CA ARG B 7 10.315 -0.187 8.454 1.00 9.46 C
174	ATOM 163 C ARG B 7 10.904 0.851 7.511 1.00 9.03 C
175	ATOM 164 O ARG B 7 11.748 1.657 7.915 1.00 10.09 O
176	ATOM 165 CB ARG B 7 11.036 -1.533 8.330 1.00 12.09 C
177	ATOM 166 CG ARG B 7 10.650 -2.506 9.443 1.00 19.08 C
178	ATOM 167 CD ARG B 7 11.370 -3.844 9.336 1.00 23.13 C
179	ATOM 168 NE ARG B 7 10.900 -4.799 10.344 1.00 25.55 N
180	ATOM 169 CZ ARG B 7 11.306 -4.819 11.612 1.00 27.34 C
181	ATOM 170 NH1 ARG B 7 12.199 -3.933 12.051 1.00 27.41 N
182	ATOM 171 NH2 ARG B 7 10.824 -5.733 12.446 1.00 27.41 N
183	ATOM 172 N CYS B 8 10.435 0.877 6.272 1.00 7.07 N
184	ATOM 173 CA CYS B 8 10.946 1.854 5.324 1.00 6.59 C
185	ATOM 174 C CYS B 8 10.511 3.261 5.752 1.00 7.18 C
186	ATOM 175 O CYS B 8 11.305 4.207 5.726 1.00 7.11 O
187	ATOM 176 CB CYS B 8 10.451 1.546 3.912 1.00 6.72 C
188	ATOM 177 SG CYS B 8 11.402 2.401 2.620 1.00 8.15 S
189	ATOM 178 N ASN B 9 9.268 3.377 6.200 1.00 6.46 N
190	ATOM 179 CA ASN B 9 8.707 4.648 6.655 1.00 6.59 C
191	ATOM 180 C ASN B 9 9.542 5.212 7.812 1.00 7.81 C
192	ATOM 181 O ASN B 9 9.973 6.368 7.788 1.00 7.74 O
193	ATOM 182 CB ASN B 9 7.254 4.417 7.099 1.00 7.47 C
194	ATOM 183 CG ASN B 9 6.560 5.696 7.541 1.00 8.82 C
195	ATOM 184 OD1 ASN B 9 7.034 6.390 8.436 1.00 11.25 O
196	ATOM 185 ND2 ASN B 9 5.418 5.995 6.935 1.00 9.34 N
197	ATOM 186 N MET B 10 9.834 4.355 8.783 1.00 7.70 N
198	ATOM 187 CA MET B 10 10.601 4.727 9.968 1.00 9.17 C
199	ATOM 188 C MET B 10 12.004 5.264 9.645 1.00 9.24 C
200	ATOM 189 O MET B 10 12.534 6.117 10.366 1.00 10.68 O
201	ATOM 190 CB MET B 10 10.702 3.508 10.892 1.00 14.14 C
202	ATOM 191 CG MET B 10 11.067 3.806 12.339 1.00 22.03 C
203	ATOM 192 SD MET B 10 11.261 2.286 13.327 1.00 26.90 S
204	ATOM 193 CE MET B 10 9.824 1.391 12.848 1.00 25.69 C
205	ATOM 194 N ASN B 11 12.597 4.774 8.559 1.00 7.60 N
206	ATOM 195 CA ASN B 11 13.938 5.187 8.157 1.00 8.16 C
207	ATOM 196 C ASN B 11 13.988 6.288 7.103 1.00 8.00 C
208	ATOM 197 O ASN B 11 15.074 6.650 6.637 1.00 7.61 O
209	ATOM 198 CB ASN B 11 14.721 3.986 7.635 1.00 11.31 C
210	ATOM 199 CG ASN B 11 15.009 2.960 8.712 1.00 14.40 C
211	ATOM 200 OD1 ASN B 11 15.292 3.307 9.862 1.00 19.31 O
212	ATOM 201 ND2 ASN B 11 14.960 1.693 8.343 1.00 18.57 N
213	ATOM 202 N ASN B 12 12.833 6.839 6.738 1.00 6.31 N
214	ATOM 203 CA ASN B 12 12.808 7.874 5.708 1.00 6.91 C
215	ATOM 204 C ASN B 12 11.918 9.067 5.992 1.00 6.79 C
216	ATOM 205 O ASN B 12 10.959 9.331 5.267 1.00 7.79 O
217	ATOM 206 CB ASN B 12 12.460 7.248 4.357 1.00 8.20 C
218	ATOM 207 CG ASN B 12 13.594 6.420 3.811 1.00 9.07 C
219	ATOM 208 OD1 ASN B 12 14.558 6.963 3.271 1.00 10.37 O
220	ATOM 209 ND2 ASN B 12 13.532 5.106 4.020 1.00 8.75 N
221	ATOM 210 N PRO B 13 12.247 9.839 7.036 1.00 6.91 N
222	ATOM 211 CA PRO B 13 11.446 11.016 7.382 1.00 5.87 C
223	ATOM 212 C PRO B 13 11.391 12.107 6.317 1.00 6.60 C
224	ATOM 213 O PRO B 13 10.433 12.878 6.280 1.00 8.07 O
225	ATOM 214 CB PRO B 13 12.116 11.524 8.659 1.00 6.57 C
226	ATOM 215 CG PRO B 13 13.527 11.011 8.560 1.00 6.75 C
227	ATOM 216 CD PRO B 13 13.311 9.621 8.030 1.00 7.19 C
228	ATOM 217 N ASP B 14 12.411 12.212 5.469 1.00 6.99 N
229	ATOM 218 CA ASP B 14 12.393 13.263 4.450 1.00 7.42 C
230	ATOM 219 C ASP B 14 11.186 13.158 3.539 1.00 7.25 C
231	ATOM 220 O ASP B 14 10.551 14.171 3.208 1.00 8.75 O
232	ATOM 221 CB ASP B 14 13.668 13.249 3.606 1.00 7.65 C
233	ATOM 222 CG ASP B 14 14.795 14.039 4.235 1.00 8.06 C
234	ATOM 223 OD1 ASP B 14 14.745 14.299 5.461 1.00 8.44 O
235	ATOM 224 OD2 ASP B 14 15.736 14.395 3.495 1.00 8.18 O
236	ATOM 225 N TYR B 15 10.844 11.930 3.167 1.00 6.76 N
237	ATOM 226 CA TYR B 15 9.716 11.709 2.277 1.00 7.87 C
238	ATOM 227 C TYR B 15 8.451 11.156 2.922 1.00 8.68 C
239	ATOM 228 O TYR B 15 7.354 11.396 2.415 1.00 9.92 O
240	ATOM 229 CB TYR B 15 10.157 10.857 1.082 1.00 8.05 C
241	ATOM 230 CG TYR B 15 11.107 11.584 0.139 1.00 8.26 C
242	ATOM 231 CD1 TYR B 15 10.741 12.801 -0.448 1.00 9.55 C
243	ATOM 232 CD2 TYR B 15 12.346 11.037 -0.197 1.00 9.51 C
244	ATOM 233 CE1 TYR B 15 11.588 13.453 -1.358 1.00 10.46 C
245	ATOM 234 CE2 TYR B 15 13.200 11.681 -1.105 1.00 11.00 C
246	ATOM 235 CZ TYR B 15 12.809 12.884 -1.682 1.00 11.73 C
247	ATOM 236 OH TYR B 15 13.623 13.503 -2.605 1.00 13.64 O
248	ATOM 237 N CYS B 16 8.596 10.463 4.051 1.00 8.95 N
249	ATOM 238 CA CYS B 16 7.453 9.883 4.764 1.00 10.63 C
250	ATOM 239 C CYS B 16 7.082 10.666 6.041 1.00 14.58 C
251	ATOM 240 O CYS B 16 6.158 10.212 6.753 1.00 19.13 O
252	ATOM 241 CB CYS B 16 7.729 8.428 5.174 1.00 9.53 C
253	ATOM 242 SG CYS B 16 8.254 7.256 3.881 1.00 7.70 S
254	HETATM 243 N NH2 B 17 7.755 11.756 6.378 1.00 17.85 N
255	HETATM 244 O HOH A 21 13.556 7.613 18.889 1.00 14.02 O
256	HETATM 245 O HOH A 22 25.243 12.897 9.349 1.00 39.12 O
257	HETATM 246 O HOH A 23 23.423 14.254 3.662 1.00 13.28 O
258	HETATM 247 O HOH A 24 15.253 19.134 -0.684 1.00 17.96 O
259	HETATM 248 O HOH A 25 15.590 21.240 6.015 1.00 19.65 O
260	HETATM 249 O HOH A 26 7.373 14.089 11.742 1.00 13.22 O
261	HETATM 250 O HOH A 35 22.939 15.380 1.187 1.00 29.57 O
262	HETATM 251 O HOH A 36 21.356 18.391 11.377 1.00 42.30 O
263	HETATM 252 O HOH A 37 21.432 15.367 8.032 1.00 15.22 O
264	HETATM 253 O HOH A 39 17.691 18.986 -1.939 1.00 19.36 O
265	HETATM 254 O HOH A 41 9.012 12.139 14.683 1.00 28.02 O
266	HETATM 255 O HOH A 42 6.540 12.808 14.237 1.00 51.44 O
267	HETATM 256 O HOH A 45 19.343 20.744 -0.751 1.00 38.42 O
268	HETATM 257 O HOH A 46 21.678 18.299 1.123 1.00 32.01 O
269	HETATM 258 O HOH A 47 24.015 7.535 4.641 1.00 30.69 O
270	HETATM 259 O HOH A 48 19.885 4.090 6.172 1.00 37.48 O
271	HETATM 260 O HOH A 50 21.089 13.521 0.022 1.00 48.19 O
272	HETATM 261 O HOH A 51 20.785 19.630 3.901 1.00 51.92 O
273	HETATM 262 O HOH A 53 17.086 7.940 19.132 1.00 19.83 O
274	HETATM 263 O HOH A 54 16.392 5.342 19.918 1.00 34.29 O
275	HETATM 264 O HOH A 55 23.064 4.977 2.470 1.00 45.41 O
276	HETATM 265 O HOH A 56 20.795 8.774 -0.587 1.00 52.51 O
277	HETATM 266 O HOH A 58 26.647 7.228 5.323 1.00 51.57 O
278	HETATM 267 O HOH A 59 5.677 15.522 10.369 1.00 46.39 O
279	HETATM 268 O HOH B 18 1.138 -1.560 7.296 1.00 26.89 O
280	HETATM 269 O HOH B 19 8.474 -3.699 7.580 1.00 25.63 O
281	HETATM 270 O HOH B 20 10.017 -3.980 5.219 1.00 26.30 O
282	HETATM 271 O HOH B 27 6.946 12.855 8.890 1.00 23.81 O
283	HETATM 272 O HOH B 28 3.881 2.576 7.282 1.00 12.06 O
284	HETATM 273 O HOH B 29 7.647 5.828 11.097 1.00 22.02 O
285	HETATM 274 O HOH B 30 9.188 15.534 1.193 1.00 9.09 O
286	HETATM 275 O HOH B 31 8.090 -6.335 12.514 1.00 23.61 O
287	HETATM 276 O HOH B 32 17.649 5.805 5.679 1.00 13.96 O
288	HETATM 277 O HOH B 33 16.249 4.050 3.999 1.00 30.21 O
289	HETATM 278 O HOH B 34 17.022 6.591 2.569 1.00 33.28 O
290	HETATM 279 O HOH B 38 7.503 18.116 0.819 1.00 31.06 O
291	HETATM 280 O HOH B 40 18.169 3.562 8.179 1.00 50.54 O
292	HETATM 281 O HOH B 43 3.578 7.643 11.488 1.00 31.48 O
293	HETATM 282 O HOH B 44 4.020 18.633 -0.325 1.00 42.88 O
294	HETATM 283 O HOH B 49 18.213 5.204 0.610 1.00 36.59 O
295	HETATM 284 O HOH B 52 15.431 1.837 5.542 1.00 24.84 O
296	HETATM 285 O HOH B 57 17.652 2.846 -0.887 1.00 28.92 O
297	CONECT 10 50 9
298	CONECT 16 115 15
299	CONECT 40 35 41
300	CONECT 41 40 42 44
301	CONECT 42 45 41 43
302	CONECT 43 42
303	CONECT 44 41
304	CONECT 50 10 49
305	CONECT 112 116 111 113
306	CONECT 115 16 114
307	CONECT 116 112
308	CONECT 127 177 126
309	CONECT 133 242 132
310	CONECT 177 127 176
311	CONECT 239 243 238 240
312	CONECT 242 133 241
313	CONECT 243 239
314	END

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