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source: SMMP/lib.sh2

Last change on this file was e40e335, checked in by baerbaer <baerbaer@…>, 16 years ago

Initial import to BerliOS corresponding to 3.0.4

git-svn-id: svn+ssh://svn.berlios.de/svnroot/repos/smmp/trunk@1 26dc1dd8-5c4e-0410-9ffe-d298b4865968

Property mode set to 100644

File size: 39.8 KB

Line
1	#ala 10 9
2	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
3	h 1. 124. 0. .176 4 1 0 0 0
4	ca 1.453 121. 1*omg 180. .064 7 1 4 5 9
5	ha 1.09 107.73 -61.698 .02 1 3 0 0 0
6	cb 1.53 109.5 56.472 -.09 7 3 6 7 8
7	hb1 1.09 109.47 4*x1 180. .04 1 5 0 0 0
8	hb2 1.09 109.47 -60. .04 1 5 0 0 0
9	hb3 1.09 109.47 60. .04 1 5 0 0 0
10	c 1.53 109.3 2*phi 180. .45 8 3 -10 0 0
11	o 1.23 120.5 180. -.384 11 -9 0 0 0
12	#arg 23 22
13	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
14	h 1. 124. 0. .176 4 1 0 0 0
15	ca 1.453 121. 1*omg 180. .064 7 1 4 5 22
16	ha 1.09 104.813 -60.35 .02 1 3 0 0 0
17	cb 1.53 111.1 58.763 -.03 7 3 6 7 8
18	hb1 1.09 109.689 -58.624 .015 1 5 0 0 0
19	hb2 1.09 109.689 58.624 .015 1 5 0 0 0
20	cg 1.53 111. 4*x1 180. -.03 7 5 9 10 11
21	hg1 1.09 109.689 -58.624 .03 1 8 0 0 0
22	hg2 1.09 109.689 58.624 .03 1 8 0 0 0
23	cd 1.53 111. 4*x2 180. .1 7 8 12 13 14
24	hd1 1.09 109.949 -58.778 .01 1 11 0 0 0
25	hd2 1.09 109.949 58.778 .01 1 11 0 0 0
26	ne 1.48 110. 4*x3 180. -.35 13 11 15 16 0
27	he 1. 117.95 0. .17 4 14 0 0 0
28	cz 1.35 124.1 8*x4 180. .48 9 14 -17 19 0
29	nh1 1.32 119. 17*x5 0. -.42 15 -16 18 0 0
30	hh1 1. 124. 180. .09 3 17 0 0 0
31	nh2 1.35 120.5 180. -.41 14 16 20 21 0
32	hh21 1. 120. 18*x6 180. .16 4 19 0 0 0
33	hh22 1. 120. 0. .16 4 19 0 0 0
34	c 1.53 110.3 2*phi 180. .45 8 3 -23 0 0
35	o 1.23 120.5 180. -.384 11 -22 0 0 0
36	#arg+ 24 23
37	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
38	h 1. 124. 0. .176 4 1 0 0 0
39	ca 1.453 121. 1*omg 180. .064 7 1 4 5 23
40	ha 1.09 104.813 -60.35 .02 1 3 0 0 0
41	cb 1.53 111.1 58.763 -.03 7 3 6 7 8
42	hb1 1.09 109.689 -58.624 .015 1 5 0 0 0
43	hb2 1.09 109.689 58.624 .015 1 5 0 0 0
44	cg 1.53 111. 4*x1 180. -.03 7 5 9 10 11
45	hg1 1.09 109.689 -58.624 .03 1 8 0 0 0
46	hg2 1.09 109.689 58.624 .03 1 8 0 0 0
47	cd 1.53 111. 4*x2 180. .12 7 8 12 13 14
48	hd1 1.09 109.949 -58.778 .01 1 11 0 0 0
49	hd2 1.09 109.949 58.778 .01 1 11 0 0 0
50	ne 1.48 110. 4*x3 180. -.3 13 11 15 16 0
51	he 1. 117.95 0. .23 4 14 0 0 0
52	cz 1.34 124.1 8*x4 180. .58 9 14 -17 -20 0
53	nh1 1.34 120. 17*x5 0. -.39 13 -16 18 19 0
54	hh11 1. 120. 18*x61 180. .28 4 17 0 0 0
55	hh12 1. 120. 0. .28 4 17 0 0 0
56	nh2 1.34 120. 180. -.39 13 -16 21 22 0
57	hh21 1. 120. 18*x62 180. .28 4 20 0 0 0
58	hh22 1. 120. 0. .28 4 20 0 0 0
59	c 1.53 110.3 2*phi 180. .45 8 3 -24 0 0
60	o 1.23 120.5 180. -.384 11 -23 0 0 0
61	#asn 14 13
62	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
63	h 1. 124. 0. .176 4 1 0 0 0
64	ca 1.453 121. 1*omg 180. .064 7 1 4 5 13
65	ha 1.09 105.311 -58.981 .02 1 3 0 0 0
66	cb 1.53 111. 60.978 -.12 7 3 6 7 8
67	hb1 1.09 109.689 -58.624 .055 1 5 0 0 0
68	hb2 1.09 109.689 58.624 .055 1 5 0 0 0
69	cg 1.53 111. 4*x1 180. .46 8 5 -9 10 0
70	od1 1.22 122. 11*x2 180. -.375 11 -8 0 0 0
71	nd2 1.33 114. 0. -.445 14 8 11 12 0
72	hd21 1. 120. 19*x3 0. .2 4 10 0 0 0
73	hd22 1. 120. 180. .2 4 10 0 0 0
74	c 1.53 109.3 2*phi 180. .45 8 3 -14 0 0
75	o 1.23 120.5 180. -.384 11 -13 0 0 0
76	#asp 13 12
77	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
78	h 1. 124. 0. .176 4 1 0 0 0
79	ca 1.453 121. 1*omg 180. .064 7 1 4 5 12
80	ha 1.09 105.238 -58.978 .02 1 3 0 0 0
81	cb 1.53 111.1 60.917 -.1 7 3 6 7 8
82	hb1 1.09 108.639 -58.033 .06 1 5 0 0 0
83	hb2 1.09 108.639 58.033 .06 1 5 0 0 0
84	cg 1.53 115. 4*x1 180. .5 8 5 -9 10 0
85	od1 1.24 121. 9*x2 180. -.36 11 -8 0 0 0
86	od2 1.29 115. 0. -.35 10 8 11 0 0
87	hd2 1. 110. 16*x3 180. .22 5 10 0 0 0
88	c 1.53 109.3 2*phi 180. .45 8 3 -13 0 0
89	o 1.23 120.5 180. -.384 11 -12 0 0 0
90	#asp- 12 11
91	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
92	h 1. 124. 0. .176 4 1 0 0 0
93	ca 1.453 121. 1*omg 180. -.06 7 1 4 5 11
94	ha 1.09 105.238 -58.978 .024 1 3 0 0 0
95	cb 1.53 111.1 60.917 -.17 7 3 6 7 8
96	hb1 1.09 109.692 -58.622 -.02 1 5 0 0 0
97	hb2 1.09 109.688 58.624 -.02 1 5 0 0 0
98	cg 1.53 115. 4*x1 180. .5 8 5 -9 -10 0
99	od1 1.25 117. 10*x2 180. -.57 12 -8 0 0 0
100	od2 1.25 117. 0. -.57 12 -8 0 0 0
101	c 1.53 109.3 2*phi 180. .45 8 3 -12 0 0
102	o 1.23 120.5 180. -.384 11 -11 0 0 0
103	#cys 11 10
104	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
105	h 1. 124. 0. .176 4 1 0 0 0
106	ca 1.453 121. 1*omg 180. .064 7 1 4 5 10
107	ha 1.09 106.692 -60.68 .02 1 3 0 0 0
108	cb 1.53 111.7 56.329 -.105 7 3 6 7 8
109	hb1 1.09 109.949 -58.778 .055 1 5 0 0 0
110	hb2 1.09 109.949 58.778 .055 1 5 0 0 0
111	sg 1.83 110. 4*x1 180. .015 16 5 9 0 0
112	hg 1.33 96. 14*x2 180. .01 6 8 0 0 0
113	c 1.53 108.3 2*phi 180. .45 8 3 -11 0 0
114	o 1.23 120.5 180. -.384 11 -10 0 0 0
115	#cyss 10 9
116	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
117	h 1. 124. 0. .176 4 1 0 0 0
118	ca 1.453 121. 1*omg 180. .064 7 1 4 5 9
119	ha 1.09 106.692 -60.68 .02 1 3 0 0 0
120	cb 1.53 111.7 56.329 -.09 7 3 6 7 8
121	hb1 1.09 108.692 -58.061 .055 1 5 0 0 0
122	hb2 1.09 108.692 58.061 .055 1 5 0 0 0
123	sg 1.83 114.8 4*x1 180. .01 16 5 0 0 0
124	c 1.53 108.3 2*phi 180. .45 8 3 -10 0 0
125	o 1.23 120.5 180. -.384 11 -9 0 0 0
126	#gln 17 16
127	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
128	h 1. 124. 0. .176 4 1 0 0 0
129	ca 1.453 121. 1*omg 180. .064 7 1 4 5 16
130	ha 1.09 105.412 -61.482 .02 1 3 0 0 0
131	cb 1.53 111. 56.545 -.03 7 3 6 7 8
132	hb1 1.09 109.689 -58.624 .02 1 5 0 0 0
133	hb2 1.09 109.689 58.624 .02 1 5 0 0 0
134	cg 1.53 111. 4*x1 180. -.11 7 5 9 10 11
135	hg1 1.09 109.689 -58.624 .05 1 8 0 0 0
136	hg2 1.09 109.689 58.624 .05 1 8 0 0 0
137	cd 1.53 111. 4*x2 180. .47 8 8 -12 13 0
138	oe1 1.22 122. 11*x3 180. -.38 11 -11 0 0 0
139	ne2 1.33 114. 0. -.43 14 11 14 15 0
140	he21 1. 120. 19*x4 0. .185 4 13 0 0 0
141	he22 1. 120. 180. .185 4 13 0 0 0
142	c 1.53 110.3 2*phi 180. .45 8 3 -17 0 0
143	o 1.23 120.5 180. -.384 11 -16 0 0 0
144	#glu 16 15
145	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
146	h 1. 124. 0. .176 4 1 0 0 0
147	ca 1.453 121. 1*omg 180. .064 7 1 4 5 15
148	ha 1.09 105.412 -61.482 .02 1 3 0 0 0
149	cb 1.53 111. 56.545 -.03 7 3 6 7 8
150	hb1 1.09 109.689 -58.624 .03 1 5 0 0 0
151	hb2 1.09 109.689 58.624 .03 1 5 0 0 0
152	cg 1.53 111. 4*x1 180. -.11 7 5 9 10 11
153	hg1 1.09 109.689 -58.624 .055 1 8 0 0 0
154	hg2 1.09 109.689 58.624 .055 1 8 0 0 0
155	cd 1.53 111. 4*x2 180. .5 8 8 -12 13 0
156	oe1 1.24 120. 9*x3 180. -.36 11 -11 0 0 0
157	oe2 1.29 115. 0. -.35 10 11 14 0 0
158	he2 1. 110. 16*x4 180. .21 5 13 0 0 0
159	c 1.53 110.3 2*phi 180. .45 8 3 -16 0 0
160	o 1.23 120.5 180. -.384 11 -15 0 0 0
161	#glu- 15 14
162	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
163	h 1. 124. 0. .176 4 1 0 0 0
164	ca 1.453 121. 1*omg 180. .064 7 1 4 5 14
165	ha 1.09 105.412 -61.482 .02 1 3 0 0 0
166	cb 1.53 111. 56.545 -.12 7 3 6 7 8
167	hb1 1.09 109.689 -58.624 .02 1 5 0 0 0
168	hb2 1.09 109.689 58.624 .02 1 5 0 0 0
169	cg 1.53 111. 4*x1 180. -.17 7 5 9 10 11
170	hg1 1.09 109.689 -58.624 -.04 1 8 0 0 0
171	hg2 1.09 109.689 58.624 -.04 1 8 0 0 0
172	cd 1.53 111. 4*x2 180. .5 8 8 -12 -13 0
173	oe1 1.25 117. 10*x3 180. -.57 12 -11 0 0 0
174	oe2 1.25 117. 0. -.57 12 -11 0 0 0
175	c 1.53 110.3 2*phi 180. .45 8 3 -15 0 0
176	o 1.23 120.5 180. -.384 11 -14 0 0 0
177	#gly 7 6
178	n 1.325 115. 3*psi 180. -.344 13 0 2 3 0
179	h 1. 124. 0. .176 4 1 0 0 0
180	ca 1.453 121. 1*omg 180. -.008 7 1 4 5 6
181	ha1 1.09 109.689 -58.624 .055 1 3 0 0 0
182	ha2 1.09 109.689 58.624 .055 1 3 0 0 0
183	c 1.53 111. 2*phi 180. .45 8 3 -7 0 0
184	o 1.23 120.5 180. -.384 11 -6 0 0 0
185	#his 17 16
186	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
187	h 1. 124. 0. .176 4 1 0 0 0
188	ca 1.453 121. 1*omg 180. .064 7 1 4 5 16
189	ha 1.09 106.677 -62.135 .02 1 3 0 0 0
190	cb 1.53 110.8 54.88 -.04 7 3 6 7 8
191	hb1 1.09 108.903 -58.177 .015 1 5 0 0 0
192	hb2 1.09 108.903 58.177 .015 1 5 0 0 0
193	cg 1.51 114. 4*x1 180. .055 9 5 9 -14 0
194	nd1 1.384 122.8 12*x2 180. -.25 13 8 10 11 0
195	hd1 1. 125.8 0. .15 4 9 0 0 0
196	ce1 1.325 108.4 180. .19 9 9 12 -13 0
197	he1 1.09 126. 180. .02 2 11 0 0 0
198	ne2 1.364 108. 0. -.24 15 -11 14 0 0
199	cd2 1.327 108.8 0. .08 9 13 -8 15 0
200	hd2 1.09 125.8 180. .035 2 14 0 0 0
201	c 1.53 109.6 2*phi 180. .45 8 3 -17 0 0
202	o 1.23 120.5 180. -.384 11 -16 0 0 0
203	#hise 17 16
204	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
205	h 1. 124. 0. .176 4 1 0 0 0
206	ca 1.453 121. 1*omg 180. .064 7 1 4 5 16
207	ha 1.09 106.677 -62.135 .02 1 3 0 0 0
208	cb 1.53 110.8 54.88 -.075 7 3 6 7 8
209	hb1 1.09 108.903 -58.177 .04 1 5 0 0 0
210	hb2 1.09 108.903 58.177 .04 1 5 0 0 0
211	cg 1.51 114. 4*x1 180. .1 9 5 9 -14 0
212	nd1 1.384 122.8 12*x2 180. -.23 15 8 -10 0 0
213	ce1 1.325 108.4 180. .182 9 -9 11 12 0
214	he1 1.09 126. 180. .01 2 10 0 0 0
215	ne2 1.364 108. 0. -.255 13 10 13 14 0
216	he2 1. 125.6 180. .144 4 12 0 0 0
217	cd2 1.327 108.8 0. .054 9 12 -8 15 0
218	hd2 1.09 125.8 180. .02 2 14 0 0 0
219	c 1.53 109.6 2*phi 180. .45 8 3 -17 0 0
220	o 1.23 120.5 180. -.384 11 -16 0 0 0
221	#his+ 18 17
222	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
223	h 1. 124. 0. .176 4 1 0 0 0
224	ca 1.453 121. 1*omg 180. .064 7 1 4 5 17
225	ha 1.09 106.677 -62.135 .02 1 3 0 0 0
226	cb 1.53 110.8 54.88 -.05 7 3 6 7 8
227	hb1 1.09 108.903 -58.177 .065 1 5 0 0 0
228	hb2 1.09 108.903 58.177 .065 1 5 0 0 0
229	cg 1.51 114. 4*x1 180. .015 9 5 9 -15 0
230	nd1 1.384 122.8 12*x2 180. -.2 13 8 10 -11 0
231	hd1 1. 125.8 0. .275 4 9 0 0 0
232	ce1 1.325 108.4 180. .275 9 -9 12 -13 0
233	he1 1.09 126. 180. .15 2 11 0 0 0
234	ne2 1.364 108. 0. -.2 13 -11 14 15 0
235	he2 1. 125.6 180. .265 4 13 0 0 0
236	cd2 1.327 108.8 0. .1 9 13 -8 16 0
237	hd2 1.09 125.8 180. .135 2 15 0 0 0
238	c 1.53 109.6 2*phi 180. .45 8 3 -18 0 0
239	o 1.23 120.5 180. -.384 11 -17 0 0 0
240	#hyp 15 14
241	n 1.36 115. 3*psi 180. -.285 13 0 2 11 0
242	ca 1.453 121. 1*omg 180. .05 7 1 3 4 14
243	ha 1.09 110.124 42.356 .04 1 2 0 0 0
244	cb 1.52 105. 162.578 -.05 7 2 5 6 7
245	hb1 1.09 111.001 139.235 .02 1 4 0 0 0
246	hb2 1.09 111.001 -101.895 .02 1 4 0 0 0
247	cg 1.52 105.9 18.67 .172 7 4 8 9 11
248	hg 1.09 112.058 -137.847 .006 1 7 0 0 0
249	od1 1.49 106. 99.18 -.323 10 7 10 0 0
250	hd1 1. 110. 5*x 122.767 .165 5 9 0 0 0
251	cd2 1.52 107.9 -14.02 .075 7 7 12 13 1
252	hd21 1.09 111.315 124.178 .02 1 11 0 0 0
253	hd22 1.09 111.315 -116.538 .02 1 11 0 0 0
254	c 1.53 111. -75. .455 8 2 -15 0 0
255	o 1.23 120.5 180. -.385 11 -14 0 0 0
256	#ile 19 18
257	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
258	h 1. 124. 0. .176 4 1 0 0 0
259	ca 1.453 121. 1*omg 180. .064 7 1 4 5 18
260	ha 1.09 107.443 -62.498 .02 1 3 0 0 0
261	cb 1.53 110.5 54.154 -.005 7 3 6 7 11
262	hb 1.09 108.26 -62.625 .025 1 5 0 0 0
263	cg2 1.53 111. 54.749 -.075 7 5 8 9 10
264	hg21 1.09 109.47 4*x22 -60. .025 1 7 0 0 0
265	hg22 1.09 109.47 60. .025 1 7 0 0 0
266	hg23 1.09 109.47 180. .025 1 7 0 0 0
267	cg1 1.53 111. 4*x1 180. -.02 7 5 12 13 14
268	hg11 1.09 109.689 -58.624 .015 1 11 0 0 0
269	hg12 1.09 109.689 58.624 .015 1 11 0 0 0
270	cd1 1.53 111. 4*x21 180. -.075 7 11 15 16 17
271	hd11 1.09 109.47 4*x31 -60. .025 1 14 0 0 0
272	hd12 1.09 109.47 60. .025 1 14 0 0 0
273	hd13 1.09 109.47 180. .025 1 14 0 0 0
274	c 1.53 109.3 2*phi 180. .45 8 3 -19 0 0
275	o 1.23 120.5 180. -.384 11 -18 0 0 0
276	#leu 19 18
277	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
278	h 1. 124. 0. .176 4 1 0 0 0
279	ca 1.453 121. 1*omg 180. .064 7 1 4 5 18
280	ha 1.09 107.443 -62.498 .02 1 3 0 0 0
281	cb 1.53 110.5 54.154 -.03 7 3 6 7 8
282	hb1 1.09 108.373 -57.891 .022 1 5 0 0 0
283	hb2 1.09 108.373 57.891 .022 1 5 0 0 0
284	cg 1.53 116. 4*x1 180. -.011 7 5 9 10 14
285	hg 1.09 108.26 62.625 .025 1 8 0 0 0
286	cd1 1.53 111. 4*x2 180. -.074 7 8 11 12 13
287	hd11 1.09 109.47 4*x31 -60. .025 1 10 0 0 0
288	hd12 1.09 109.47 60. .025 1 10 0 0 0
289	hd13 1.09 109.47 180. .025 1 10 0 0 0
290	cd2 1.53 111. -54.749 -.074 7 8 15 16 17
291	hd21 1.09 109.47 4*x32 -60. .025 1 14 0 0 0
292	hd22 1.09 109.47 60. .025 1 14 0 0 0
293	hd23 1.09 109.47 180. .025 1 14 0 0 0
294	c 1.53 109.3 2*phi 180. .45 8 3 -19 0 0
295	o 1.23 120.5 180. -.384 11 -18 0 0 0
296	#lys 21 20
297	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
298	h 1. 124. 0. .176 4 1 0 0 0
299	ca 1.453 121. 1*omg 180. .064 7 1 4 5 20
300	ha 1.09 107.443 -62.498 .02 1 3 0 0 0
301	cb 1.53 110.5 54.154 -.03 7 3 6 7 8
302	hb1 1.09 109.689 -58.624 .015 1 5 0 0 0
303	hb2 1.09 109.689 58.624 .015 1 5 0 0 0
304	cg 1.53 111. 4*x1 180. -.025 7 5 9 10 11
305	hg1 1.09 109.689 -58.624 .02 1 8 0 0 0
306	hg2 1.09 109.689 58.624 .02 1 8 0 0 0
307	cd 1.53 111. 4*x2 180. -.03 7 8 12 13 14
308	hd1 1.09 109.689 -58.624 .02 1 11 0 0 0
309	hd2 1.09 109.689 58.624 .02 1 11 0 0 0
310	ce 1.53 111. 4*x3 180. .11 7 11 15 16 17
311	he1 1.09 109.819 -58.701 -.005 1 14 0 0 0
312	he2 1.09 109.819 58.701 -.005 1 14 0 0 0
313	nz 1.48 110.5 4*x4 180. -.395 14 14 18 19 0
314	hz1 1.014 112. 6*x5 180. .15 3 17 0 0 0
315	hz2 1.014 112. -60. .15 3 17 0 0 0
316	c 1.53 109.3 2*phi 180. .45 8 3 -21 0 0
317	o 1.23 120.5 180. -.384 11 -20 0 0 0
318	#lys+ 22 21
319	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
320	h 1. 124. 0. .176 4 1 0 0 0
321	ca 1.453 121. 1*omg 180. .064 7 1 4 5 21
322	ha 1.09 107.443 -62.498 .02 1 3 0 0 0
323	cb 1.53 110.5 54.154 -.03 7 3 6 7 8
324	hb1 1.09 109.689 -58.624 .015 1 5 0 0 0
325	hb2 1.09 109.689 58.624 .015 1 5 0 0 0
326	cg 1.53 111. 4*x1 180. -.025 7 5 9 10 11
327	hg1 1.09 109.689 -58.624 .02 1 8 0 0 0
328	hg2 1.09 109.689 58.624 .02 1 8 0 0 0
329	cd 1.53 111. 4*x2 180. -.115 7 8 12 13 14
330	hd1 1.09 109.689 -58.624 .1 1 11 0 0 0
331	hd2 1.09 109.689 58.624 .1 1 11 0 0 0
332	ce 1.53 111. 4*x3 180. .05 7 11 15 16 17
333	he1 1.09 109.819 -58.701 .12 1 14 0 0 0
334	he2 1.09 109.819 58.701 .12 1 14 0 0 0
335	nz 1.48 110.5 4*x4 180. -.32 13 14 18 19 20
336	hz1 1.014 109.47 7*x5 180. .32 3 17 0 0 0
337	hz2 1.014 109.47 -60. .32 3 17 0 0 0
338	hz3 1.014 109.47 60. .32 3 17 0 0 0
339	c 1.53 109.3 2*phi 180. .45 8 3 -22 0 0
340	o 1.23 120.5 180. -.384 11 -21 0 0 0
341	#met 17 16
342	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
343	h 1. 124. 0. .176 4 1 0 0 0
344	ca 1.453 121. 1*omg 180. .064 7 1 4 5 16
345	ha 1.09 105.576 -60.996 .02 1 3 0 0 0
346	cb 1.53 109.5 58.986 -.01 7 3 6 7 8
347	hb1 1.09 109.689 -58.624 .03 1 5 0 0 0
348	hb2 1.09 109.689 58.624 .03 1 5 0 0 0
349	cg 1.53 111. 4*x1 180. -.12 7 5 9 10 11
350	hg1 1.09 109.949 -58.778 .045 1 8 0 0 0
351	hg2 1.09 109.949 58.778 .045 1 8 0 0 0
352	sd 1.785 110. 4*x2 180. .035 16 8 12 0 0
353	ce 1.785 100. 13*x3 180. -.19 7 11 13 14 15
354	he1 1.09 109.47 13*x4 -60. .055 1 12 0 0 0
355	he2 1.09 109.47 60. .055 1 12 0 0 0
356	he3 1.09 109.47 180. .055 1 12 0 0 0
357	c 1.53 111. 2*phi 180. .45 8 3 -17 0 0
358	o 1.23 120.5 180. -.384 11 -16 0 0 0
359	#phe 20 19
360	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
361	h 1. 124. 0. .176 4 1 0 0 0
362	ca 1.453 121. 1*omg 180. .064 7 1 4 5 19
363	ha 1.09 107.263 -60.574 .02 1 3 0 0 0
364	cb 1.53 107. 61.182 -.04 7 3 6 7 8
365	hb1 1.09 108.903 -58.177 .025 1 5 0 0 0
366	hb2 1.09 108.903 58.177 .025 1 5 0 0 0
367	cg 1.53 114. 4*x1 180. .02 9 5 -9 17 0
368	cd1 1.36 120. 12*x2 180. -.015 9 -8 10 11 0
369	hd1 1.09 120. 0. .01 2 9 0 0 0
370	ce1 1.42 120. 180. -.015 9 9 12 -13 0
371	he1 1.09 120. 180. .01 2 11 0 0 0
372	cz 1.36 120. 0. .015 9 -11 14 15 0
373	hz 1.09 120. 180. .005 2 13 0 0 0
374	ce2 1.36 120. 0. -.015 9 13 16 -17 0
375	he2 1.09 120. 180. .01 2 15 0 0 0
376	cd2 1.42 120. 0. -.015 9 -15 18 8 0
377	hd2 1.09 120. 180. .01 2 17 0 0 0
378	c 1.53 111. 2*phi 180. .45 8 3 -20 0 0
379	o 1.23 120.5 180. -.384 11 -19 0 0 0
380	#pro 14 13
381	n 1.36 115. 3*psi 180. -.285 13 0 2 10 0
382	ca 1.453 121. 1*omg 180. .05 7 1 3 4 13
383	ha 1.09 110.124 42.356 .04 1 2 0 0 0
384	cb 1.52 105. 162.578 -.025 7 2 5 6 7
385	hb1 1.09 111.001 139.235 .015 1 4 0 0 0
386	hb2 1.09 111.001 -101.895 .015 1 4 0 0 0
387	cg 1.52 105.9 18.67 -.05 7 4 8 9 10
388	hg1 1.09 110.49 106.87 .025 1 7 0 0 0
389	hg2 1.09 110.49 -134.91 .025 1 7 0 0 0
390	cd 1.52 107.9 -14.02 .1 7 7 11 12 1
391	hd1 1.09 111.315 124.178 .01 1 10 0 0 0
392	hd2 1.09 111.315 -116.538 .01 1 10 0 0 0
393	c 1.53 111. -75. .455 8 2 -14 0 0
394	o 1.23 120.5 180. -.385 11 -13 0 0 0
395	#prom 14 13
396	n 1.36 115. 3*psi 180. -.285 13 0 2 10 0
397	ca 1.453 121. 1*omg 180. .05 7 1 3 4 13
398	ha 1.09 110.124 42.356 .04 1 2 0 0 0
399	cb 1.52 105. 162.578 -.025 7 2 5 6 7
400	hb1 1.09 111.001 139.235 .015 1 4 0 0 0
401	hb2 1.09 111.001 -101.895 .015 1 4 0 0 0
402	cg 1.52 0 acg 105.9 4*tcg 18.67 -.05 7 4 8 9 10
403	hg1 1.09 110.49 106.87 .025 1 7 0 0 0
404	hg2 1.09 110.49 -134.91 .025 1 7 0 0 0
405	cd 0 bcd 1.52 0 acd 107.9 4*tcd -14.02 .1 7 7 11 12 1
406	hd1 1.09 0 ah1 111.315 124.178 .01 1 10 0 0 0
407	hd2 1.09 0 ah2 111.315 -116.538 .01 1 10 0 0 0
408	c 1.53 111. 2*phi -75. .455 8 2 -14 0 0
409	o 1.23 120.5 180. -.385 11 -13 0 0 0
410	#ser 11 10
411	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
412	h 1. 124. 0. .176 4 1 0 0 0
413	ca 1.453 121. 1*omg 180. .064 7 1 4 5 10
414	ha 1.09 105.356 -60.837 .02 1 3 0 0 0
415	cb 1.53 111.1 57.576 .13 7 3 6 7 8
416	hb1 1.09 109.428 -58.473 .02 1 5 0 0 0
417	hb2 1.09 109.428 58.473 .02 1 5 0 0 0
418	og 1.425 112. 4*x1 180. -.31 10 5 9 0 0
419	hg 1. 110. 5*x2 180. .17 5 8 0 0 0
420	c 1.53 110. 2*phi 180. .45 8 3 -11 0 0
421	o 1.23 120.5 180. -.384 11 -10 0 0 0
422	#thr 14 13
423	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
424	h 1. 124. 0. .176 4 1 0 0 0
425	ca 1.453 121. 1*omg 180. .064 7 1 4 5 13
426	ha 1.09 108.374 -63.043 .02 1 3 0 0 0
427	cb 1.53 108. 55.503 .16 7 3 6 7 9
428	hb 1.09 110.93 -56.998 .015 1 5 0 0 0
429	og1 1.425 104.1 4*x1 180. -.31 10 5 8 0 0
430	hg1 1. 110. 5*x21 180. .17 5 7 0 0 0
431	cg2 1.53 112.5 67.919 -.095 7 5 10 11 12
432	hg21 1.09 109.47 4*x22 60. .03 1 9 0 0 0
433	hg22 1.09 109.47 -60. .03 1 9 0 0 0
434	hg23 1.09 109.47 180. .03 1 9 0 0 0
435	c 1.53 110.4 2*phi 180. .45 8 3 -14 0 0
436	o 1.23 120.5 180. -.384 11 -13 0 0 0
437	#trp 24 23
438	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
439	h 1. 124. 0. .176 4 1 0 0 0
440	ca 1.453 121. 1*omg 180. .064 7 1 4 5 23
441	ha 1.09 107.799 -61.187 .02 1 3 0 0 0
442	cb 1.53 111. 55.612 -.03 7 3 6 7 8
443	hb1 1.09 108.903 -58.177 .015 1 5 0 0 0
444	hb2 1.09 108.903 58.177 .015 1 5 0 0 0
445	cg 1.53 114. 4*x1 180. -.025 9 5 -9 22 0
446	cd1 1.34 128. 12*x2 180. .085 9 -8 10 11 0
447	hd1 1.09 124.25 0. .0 2 9 0 0 0
448	ne1 1.38 111.5 180. -.28 13 9 12 13 0
449	he1 1. 126.3 180. .13 4 11 0 0 0
450	ce2 1.39 107.4 0. .15 9 11 14 -22 0
451	cz2 1.4 129.4 180. -.06 9 13 15 -16 0
452	hz2 1.09 121.8 0. .03 2 14 0 0 0
453	ch2 1.39 116.4 180. -.005 9 -14 17 18 0
454	hh2 1.09 120.15 180. .01 2 16 0 0 0
455	cz3 1.39 119.7 0. -.02 9 16 19 -20 0
456	hz3 1.09 117.7 180. .01 2 18 0 0 0
457	ce3 1.4 124.6 0. -.08 9 -18 21 22 0
458	he3 1.09 122.5 180. .08 2 20 0 0 0
459	cd2 1.41 115. 0. .005 9 20 8 -13 0
460	c 1.53 108. 2*phi 180. .45 8 3 -24 0 0
461	o 1.23 120.5 180. -.384 11 -23 0 0 0
462	#tyr 21 20
463	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
464	h 1. 124. 0. .176 4 1 0 0 0
465	ca 1.453 121. 1*omg 180. .064 7 1 4 5 20
466	ha 1.09 107.973 -60.509 .02 1 3 0 0 0
467	cb 1.53 106. 61.78 -.04 7 3 6 7 8
468	hb1 1.09 108.903 -58.177 .025 1 5 0 0 0
469	hb2 1.09 108.903 58.177 .025 1 5 0 0 0
470	cg 1.53 114. 4*x1 180. .02 9 5 -9 18 0
471	cd1 1.38 120. 12*x2 180. -.01 9 -8 10 11 0
472	hd1 1.09 120. 0. .01 2 9 0 0 0
473	ce1 1.44 120. 180. -.06 9 9 12 -13 0
474	he1 1.09 120.75 180. .03 2 11 0 0 0
475	cz 1.36 118.5 0. .225 9 -11 14 16 0
476	oh 1.36 118.5 180. -.33 10 13 15 0 0
477	hh 1. 110. 15*x6 180. .165 5 14 0 0 0
478	ce2 1.36 123. 0. -.06 9 13 17 -18 0
479	he2 1.09 120.75 180. .03 2 16 0 0 0
480	cd2 1.44 118.5 0. -.01 9 -16 19 8 0
481	hd2 1.09 120. 180. .01 2 18 0 0 0
482	c 1.53 111. 2*phi 180. .45 8 3 -21 0 0
483	o 1.23 120.5 180. -.384 11 -20 0 0 0
484	#val 16 15
485	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
486	h 1. 124. 0. .176 4 1 0 0 0
487	ca 1.453 121. 1*omg 180. .064 7 1 4 5 15
488	ha 1.09 107.568 -62.068 .02 1 3 0 0 0
489	cb 1.53 110. 55.387 .008 7 3 6 7 11
490	hb 1.09 107.895 61.977 .016 1 5 0 0 0
491	cg1 1.53 111. 4*x1 180. -.072 7 5 8 9 10
492	hg11 1.09 109.47 4*x21 -60. .025 1 7 0 0 0
493	hg12 1.09 109.47 60. .025 1 7 0 0 0
494	hg13 1.09 109.47 180. .025 1 7 0 0 0
495	cg2 1.53 111. -56.046 -.072 7 5 12 13 14
496	hg21 1.09 109.47 4*x22 -60. .025 1 11 0 0 0
497	hg22 1.09 109.47 60. .025 1 11 0 0 0
498	hg23 1.09 109.47 180. .025 1 11 0 0 0
499	c 1.53 109.3 2*phi 180. .45 8 3 -16 0 0
500	o 1.23 120.5 180. -.384 11 -15 0 0 0
501	#ace 6 5
502	ch3 1.453 121. 180. -.129 7 2 3 4 5
503	h1 1.09 0. 0. .020 1 1 0 0 0
504	h2 1.09 109.471 -60.001 .020 1 1 0 0 0
505	h3 1.09 109.471 60.001 .020 1 1 0 0 0
506	c 1.49 109.471 180. .455 8 1 -6 0 0
507	o 1.23 120.5 180. -.386 11 -5 0 0 0
508	#nme 6 3
509	n 1.453 115. 3*psi 180. -.345 13 0 2 3 0
510	h 1. 124. 0. .163 4 1 0 0 0
511	c 1.325 121. 1*omg 180. .05 7 1 4 5 6
512	h1 1.09 109.47 2*pht 180. .044 1 3 0 0 0
513	h2 1.09 109.47 -60. .044 1 3 0 0 0
514	h3 1.09 109.47 60. .044 1 3 0 0 0
515	#nh1 2 1 # only for Pro & Hyp
516	n 1.453 109.3 3*psi 180. -.080 13 0 2 0 0
517	h 1.014 123.491 -75.02 .130 4 1 0 0 0
518	#nh2 3 1
519	n 1.453 109.3 3*psi 180. -.356 14 0 2 3 0
520	h1 1.000 112. 6*phi 180. .176 4 1 0 0 0
521	h2 1.000 112. -60. .176 4 1 0 0 0
522	#nh2+ 3 1 # only for Pro & Hyp
523	n 1.453 109.3 3*psi 180. -.140 13 0 2 3 0
524	h1 1.014 109.208 -133.247 .300 3 1 0 0 0
525	h2 1.014 109.208 -16.793 .300 3 1 0 0 0
526	#nh3+ 4 1
527	n 1.453 109.3 3*psi 180. -.356 13 0 2 3 4
528	h1 1.014 109.47 7*phi 180. .285 3 1 0 0 0
529	h2 1.014 109.47 60. .285 3 1 0 0 0
530	h3 1.014 109.47 -60. .285 3 1 0 0 0
531	#cooh 4 1
532	c 1.53 109.3 2*phi 180. .45 8 0 -2 3 0
533	o 1.23 120.5 0. -.384 11 -1 0 0 0
534	oxt 1.29 115. 9*pst 180. -.38 10 1 4 0 0
535	hxt 1. 110. 16*omt 180. .204 5 3 0 0 0
536	#coo- 3 1
537	c 1.53 109.3 2*phi 180. .45 8 0 -2 -3 0
538	o 1.25 117. 0. -.532 12 -1 0 0 0
539	oxt 1.25 117. 10*pst 180. -.532 12 -1 0 0 0

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