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source: SMMP/lib.sh3

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: 46.6 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 1.34 118. 3*psi 180. -.297 13 0 2 11 0
242	ca 1.465 121. 1*omg 180. .056 7 1 3 4 14
243	ha 1.09 110.203 47.968 .022 1 2 0 0 0
244	cb 1.53 103.7 170.328 -.058 7 2 5 6 7
245	hb1 1.09 111.558 147.595 .031 1 4 0 0 0
246	hb2 1.09 111.558 -92.795 .031 1 4 0 0 0
247	cg 1.502 103.7 27.4 .176 7 4 8 9 11
248	hg 1.09 112.126 90.019 .006 1 7 0 0 0
249	od1 1.414 111.9 -153.759 -.323 10 7 10 0 0
250	hd1 1. 110. 5*x 122.767 .167 5 9 0 0 0
251	cd2 1.501 105.3 -35.6 .065 18 7 12 13 1
252	hd21 1.09 111.633 149.444 .022 17 11 0 0 0
253	hd22 1.09 111.633 -90.844 .022 17 11 0 0 0
254	c 1.52 112.3 -68.8 .455 8 2 -15 0 0
255	o 1.23 120.5 180. -.377 11 -14 0 0 0
256	#hypu 15 14
257	n 1.34 118. 3*psi 180. -.297 13 0 2 11 0
258	ca 1.465 127.3 1*omg 180. .056 7 1 3 4 14
259	ha 1.09 110.135 63.902 .022 1 2 0 0 0
260	cb 1.53 103.7 -173.631 -.058 7 2 5 6 7
261	hb1 1.09 111.633 92.044 .031 1 4 0 0 0
262	hb2 1.09 111.633 -148.244 .031 1 4 0 0 0
263	cg 1.524 103.4 -28.1 .176 7 4 8 9 11
264	hg 1.09 113.823 166.876 .006 1 7 0 0 0
265	od1 1.414 111.9 -76.639 -.323 10 7 10 0 0
266	hd1 1. 110. 5*x 122.767 .167 5 9 0 0 0
267	cd2 1.52 102.9 39.3 .065 18 7 12 13 1
268	hd21 1.09 111.783 85.141 .022 17 11 0 0 0
269	hd22 1.09 111.783 -154.941 .022 17 11 0 0 0
270	c 1.52 112.3 -53. .455 8 2 -15 0 0
271	o 1.23 120.5 180. -.377 11 -14 0 0 0
272	#ile 19 18
273	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
274	h 1. 124. 0. .176 4 1 0 0 0
275	ca 1.453 121. 1*omg 180. .064 7 1 4 5 18
276	ha 1.09 107.443 -62.498 .02 1 3 0 0 0
277	cb 1.53 110.5 54.154 -.005 7 3 6 7 11
278	hb 1.09 108.26 -62.625 .025 1 5 0 0 0
279	cg2 1.53 111. 54.749 -.075 7 5 8 9 10
280	hg21 1.09 109.47 4*x22 -60. .025 1 7 0 0 0
281	hg22 1.09 109.47 60. .025 1 7 0 0 0
282	hg23 1.09 109.47 180. .025 1 7 0 0 0
283	cg1 1.53 111. 4*x1 180. -.02 7 5 12 13 14
284	hg11 1.09 109.689 -58.624 .015 1 11 0 0 0
285	hg12 1.09 109.689 58.624 .015 1 11 0 0 0
286	cd1 1.53 111. 4*x21 180. -.075 7 11 15 16 17
287	hd11 1.09 109.47 4*x31 -60. .025 1 14 0 0 0
288	hd12 1.09 109.47 60. .025 1 14 0 0 0
289	hd13 1.09 109.47 180. .025 1 14 0 0 0
290	c 1.53 109.3 2*phi 180. .45 8 3 -19 0 0
291	o 1.23 120.5 180. -.384 11 -18 0 0 0
292	#leu 19 18
293	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
294	h 1. 124. 0. .176 4 1 0 0 0
295	ca 1.453 121. 1*omg 180. .064 7 1 4 5 18
296	ha 1.09 107.443 -62.498 .02 1 3 0 0 0
297	cb 1.53 110.5 54.154 -.03 7 3 6 7 8
298	hb1 1.09 108.373 -57.891 .022 1 5 0 0 0
299	hb2 1.09 108.373 57.891 .022 1 5 0 0 0
300	cg 1.53 116. 4*x1 180. -.011 7 5 9 10 14
301	hg 1.09 108.26 62.625 .025 1 8 0 0 0
302	cd1 1.53 111. 4*x2 180. -.074 7 8 11 12 13
303	hd11 1.09 109.47 4*x31 -60. .025 1 10 0 0 0
304	hd12 1.09 109.47 60. .025 1 10 0 0 0
305	hd13 1.09 109.47 180. .025 1 10 0 0 0
306	cd2 1.53 111. -54.749 -.074 7 8 15 16 17
307	hd21 1.09 109.47 4*x32 -60. .025 1 14 0 0 0
308	hd22 1.09 109.47 60. .025 1 14 0 0 0
309	hd23 1.09 109.47 180. .025 1 14 0 0 0
310	c 1.53 109.3 2*phi 180. .45 8 3 -19 0 0
311	o 1.23 120.5 180. -.384 11 -18 0 0 0
312	#lys 21 20
313	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
314	h 1. 124. 0. .176 4 1 0 0 0
315	ca 1.453 121. 1*omg 180. .064 7 1 4 5 20
316	ha 1.09 107.443 -62.498 .02 1 3 0 0 0
317	cb 1.53 110.5 54.154 -.03 7 3 6 7 8
318	hb1 1.09 109.689 -58.624 .015 1 5 0 0 0
319	hb2 1.09 109.689 58.624 .015 1 5 0 0 0
320	cg 1.53 111. 4*x1 180. -.025 7 5 9 10 11
321	hg1 1.09 109.689 -58.624 .02 1 8 0 0 0
322	hg2 1.09 109.689 58.624 .02 1 8 0 0 0
323	cd 1.53 111. 4*x2 180. -.03 7 8 12 13 14
324	hd1 1.09 109.689 -58.624 .02 1 11 0 0 0
325	hd2 1.09 109.689 58.624 .02 1 11 0 0 0
326	ce 1.53 111. 4*x3 180. .11 7 11 15 16 17
327	he1 1.09 109.819 -58.701 -.005 1 14 0 0 0
328	he2 1.09 109.819 58.701 -.005 1 14 0 0 0
329	nz 1.48 110.5 4*x4 180. -.395 14 14 18 19 0
330	hz1 1.014 112. 6*x5 180. .15 3 17 0 0 0
331	hz2 1.014 112. -60. .15 3 17 0 0 0
332	c 1.53 109.3 2*phi 180. .45 8 3 -21 0 0
333	o 1.23 120.5 180. -.384 11 -20 0 0 0
334	#lys+ 22 21
335	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
336	h 1. 124. 0. .176 4 1 0 0 0
337	ca 1.453 121. 1*omg 180. .064 7 1 4 5 21
338	ha 1.09 107.443 -62.498 .02 1 3 0 0 0
339	cb 1.53 110.5 54.154 -.03 7 3 6 7 8
340	hb1 1.09 109.689 -58.624 .015 1 5 0 0 0
341	hb2 1.09 109.689 58.624 .015 1 5 0 0 0
342	cg 1.53 111. 4*x1 180. -.025 7 5 9 10 11
343	hg1 1.09 109.689 -58.624 .02 1 8 0 0 0
344	hg2 1.09 109.689 58.624 .02 1 8 0 0 0
345	cd 1.53 111. 4*x2 180. -.115 7 8 12 13 14
346	hd1 1.09 109.689 -58.624 .1 1 11 0 0 0
347	hd2 1.09 109.689 58.624 .1 1 11 0 0 0
348	ce 1.53 111. 4*x3 180. .05 7 11 15 16 17
349	he1 1.09 109.819 -58.701 .12 1 14 0 0 0
350	he2 1.09 109.819 58.701 .12 1 14 0 0 0
351	nz 1.48 110.5 4*x4 180. -.32 13 14 18 19 20
352	hz1 1.014 109.47 7*x5 180. .32 3 17 0 0 0
353	hz2 1.014 109.47 -60. .32 3 17 0 0 0
354	hz3 1.014 109.47 60. .32 3 17 0 0 0
355	c 1.53 109.3 2*phi 180. .45 8 3 -22 0 0
356	o 1.23 120.5 180. -.384 11 -21 0 0 0
357	#met 17 16
358	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
359	h 1. 124. 0. .176 4 1 0 0 0
360	ca 1.453 121. 1*omg 180. .064 7 1 4 5 16
361	ha 1.09 105.576 -60.996 .02 1 3 0 0 0
362	cb 1.53 109.5 58.986 -.01 7 3 6 7 8
363	hb1 1.09 109.689 -58.624 .03 1 5 0 0 0
364	hb2 1.09 109.689 58.624 .03 1 5 0 0 0
365	cg 1.53 111. 4*x1 180. -.12 7 5 9 10 11
366	hg1 1.09 109.949 -58.778 .045 1 8 0 0 0
367	hg2 1.09 109.949 58.778 .045 1 8 0 0 0
368	sd 1.785 110. 4*x2 180. .035 16 8 12 0 0
369	ce 1.785 100. 13*x3 180. -.19 7 11 13 14 15
370	he1 1.09 109.47 13*x4 -60. .055 1 12 0 0 0
371	he2 1.09 109.47 60. .055 1 12 0 0 0
372	he3 1.09 109.47 180. .055 1 12 0 0 0
373	c 1.53 111. 2*phi 180. .45 8 3 -17 0 0
374	o 1.23 120.5 180. -.384 11 -16 0 0 0
375	#phe 20 19
376	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
377	h 1. 124. 0. .176 4 1 0 0 0
378	ca 1.453 121. 1*omg 180. .064 7 1 4 5 19
379	ha 1.09 107.263 -60.574 .02 1 3 0 0 0
380	cb 1.53 107. 61.182 -.04 7 3 6 7 8
381	hb1 1.09 108.903 -58.177 .025 1 5 0 0 0
382	hb2 1.09 108.903 58.177 .025 1 5 0 0 0
383	cg 1.53 114. 4*x1 180. .02 9 5 -9 17 0
384	cd1 1.36 120. 12*x2 180. -.015 9 -8 10 11 0
385	hd1 1.09 120. 0. .01 2 9 0 0 0
386	ce1 1.42 120. 180. -.015 9 9 12 -13 0
387	he1 1.09 120. 180. .01 2 11 0 0 0
388	cz 1.36 120. 0. .015 9 -11 14 15 0
389	hz 1.09 120. 180. .005 2 13 0 0 0
390	ce2 1.36 120. 0. -.015 9 13 16 -17 0
391	he2 1.09 120. 180. .01 2 15 0 0 0
392	cd2 1.42 120. 0. -.015 9 -15 18 8 0
393	hd2 1.09 120. 180. .01 2 17 0 0 0
394	c 1.53 111. 2*phi 180. .45 8 3 -20 0 0
395	o 1.23 120.5 180. -.384 11 -19 0 0 0
396	#cpro 14 13
397	n 1.34 118. 3*psi 180. -.297 13 0 2 10 0
398	ca 1.465 127.3 1*omg 0. .057 7 1 3 4 13
399	ha 1.09 110.203 47.968 .021 1 2 0 0 0
400	cb 1.53 103.7 170.328 -.026 7 2 5 6 7
401	hb1 1.09 111.558 147.595 .023 1 4 0 0 0
402	hb2 1.09 111.558 -92.795 .023 1 4 0 0 0
403	cg 1.502 103.7 27.4 -.034 7 4 8 9 10
404	hg1 1.09 111.154 84.865 .025 1 7 0 0 0
405	hg2 1.09 111.154 -156.065 .025 1 7 0 0 0
406	cd 1.501 105.3 -35.6 .095 18 7 11 12 1
407	hd1 1.09 111.633 149.444 .005 17 10 0 0 0
408	hd2 1.09 111.633 -90.844 .005 17 10 0 0 0
409	c 1.52 112.3 -68.8 .456 8 2 -14 0 0
410	o 1.23 120.5 180. -.38 11 -13 0 0 0
411	#pro 14 13
412	n 1.34 118. 3*psi 180. -.297 13 0 2 10 0
413	ca 1.465 121. 1*omg 180. .057 7 1 3 4 13
414	ha 1.09 110.203 47.968 .021 1 2 0 0 0
415	cb 1.53 103.7 170.328 -.026 7 2 5 6 7
416	hb1 1.09 111.558 147.595 .023 1 4 0 0 0
417	hb2 1.09 111.558 -92.795 .023 1 4 0 0 0
418	cg 1.502 103.7 27.4 -.034 7 4 8 9 10
419	hg1 1.09 111.154 84.865 .025 1 7 0 0 0
420	hg2 1.09 111.154 -156.065 .025 1 7 0 0 0
421	cd 1.501 105.3 -35.6 .095 18 7 11 12 1
422	hd1 1.09 111.633 149.444 .005 17 10 0 0 0
423	hd2 1.09 111.633 -90.844 .005 17 10 0 0 0
424	c 1.52 112.3 -68.8 .456 8 2 -14 0 0
425	o 1.23 120.5 180. -.38 11 -13 0 0 0
426	#cpru 14 13
427	n 1.34 118. 3*psi 180. -.297 13 0 2 10 0
428	ca 1.465 127.3 1*omg 0. .057 7 1 3 4 13
429	ha 1.09 110.135 63.902 .021 1 2 0 0 0
430	cb 1.53 103.7 -173.631 -.026 7 2 5 6 7
431	hb1 1.09 111.633 92.044 .023 1 4 0 0 0
432	hb2 1.09 111.633 -148.244 .023 1 4 0 0 0
433	cg 1.524 103.4 -28.1 -.034 7 4 8 9 10
434	hg1 1.09 111.758 159.358 .025 1 7 0 0 0
435	hg2 1.09 111.758 -80.758 .025 1 7 0 0 0
436	cd 1.52 102.9 39.3 .095 18 7 11 12 1
437	hd1 1.09 111.783 85.141 .005 17 10 0 0 0
438	hd2 1.09 111.783 -154.941 .005 17 10 0 0 0
439	c 1.52 112.3 -53. .456 8 2 -14 0 0
440	o 1.23 120.5 180. -.38 11 -13 0 0 0
441	#prou 14 13
442	n 1.34 118. 3*psi 180. -.297 13 0 2 10 0
443	ca 1.465 121. 1*omg 180. .057 7 1 3 4 13
444	ha 1.09 110.135 63.902 .021 1 2 0 0 0
445	cb 1.53 103.7 -173.631 -.026 7 2 5 6 7
446	hb1 1.09 111.633 92.044 .023 1 4 0 0 0
447	hb2 1.09 111.633 -148.244 .023 1 4 0 0 0
448	cg 1.524 103.4 -28.1 -.034 7 4 8 9 10
449	hg1 1.09 111.758 159.358 .025 1 7 0 0 0
450	hg2 1.09 111.758 -80.758 .025 1 7 0 0 0
451	cd 1.52 102.9 39.3 .095 18 7 11 12 1
452	hd1 1.09 111.783 85.141 .005 17 10 0 0 0
453	hd2 1.09 111.783 -154.941 .005 17 10 0 0 0
454	c 1.52 112.3 -53. .456 8 2 -14 0 0
455	o 1.23 120.5 180. -.38 11 -13 0 0 0
456	#pron 14 13
457	n 1.34 118. 3*psi 180. -.257 13 0 2 10 0
458	ca 1.497 121. 1*omg 180. .027 7 1 3 4 13
459	ha 1.09 112.947 63.747 .010 1 2 0 0 0
460	cb 1.53 104.9 -175.419 -.023 7 2 5 6 7
461	hb1 1.09 111.482 92.146 .012 1 4 0 0 0
462	hb2 1.09 111.482 -148.346 .012 1 4 0 0 0
463	cg 1.5 104. -28.1 -.037 7 4 8 9 10
464	hg1 1.09 111.708 159.092 .014 1 7 0 0 0
465	hg2 1.09 111.708 -81.092 .014 1 7 0 0 0
466	cd 1.507 103.1 39. .066 18 7 11 12 1
467	hd1 1.09 111.255 85.198 .002 17 10 0 0 0
468	hd2 1.09 111.255 -155.598 .002 17 10 0 0 0
469	c 1.511 109.8 -53. .444 8 2 -14 0 0
470	o 1.23 120.5 180. -.394 11 -13 0 0 0
471	#pro+ 14 13
472	n 1.34 118. 3*psi 180. -.248 13 0 2 10 0
473	ca 1.497 121. 1*omg 180. .004 7 1 3 4 13
474	ha 1.09 112.947 63.747 .094 1 2 0 0 0
475	cb 1.53 104.9 -175.419 -.035 7 2 5 6 7
476	hb1 1.09 111.482 92.146 .086 1 4 0 0 0
477	hb2 1.09 111.482 -148.346 .086 1 4 0 0 0
478	cg 1.5 104. -28.1 -.043 7 4 8 9 10
479	hg1 1.09 111.708 159.092 .086 1 7 0 0 0
480	hg2 1.09 111.708 -81.092 .086 1 7 0 0 0
481	cd 1.507 103.1 39. .044 18 7 11 12 1
482	hd1 1.09 111.255 85.198 .098 17 10 0 0 0
483	hd2 1.09 111.255 -155.598 .098 17 10 0 0 0
484	c 1.511 109.8 -53. .459 8 2 -14 0 0
485	o 1.23 120.5 180. -.315 11 -13 0 0 0
486	#ser 11 10
487	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
488	h 1. 124. 0. .176 4 1 0 0 0
489	ca 1.453 121. 1*omg 180. .064 7 1 4 5 10
490	ha 1.09 105.356 -60.837 .02 1 3 0 0 0
491	cb 1.53 111.1 57.576 .13 7 3 6 7 8
492	hb1 1.09 109.428 -58.473 .02 1 5 0 0 0
493	hb2 1.09 109.428 58.473 .02 1 5 0 0 0
494	og 1.425 112. 4*x1 180. -.31 10 5 9 0 0
495	hg 1. 110. 5*x2 180. .17 5 8 0 0 0
496	c 1.53 110. 2*phi 180. .45 8 3 -11 0 0
497	o 1.23 120.5 180. -.384 11 -10 0 0 0
498	#thr 14 13
499	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
500	h 1. 124. 0. .176 4 1 0 0 0
501	ca 1.453 121. 1*omg 180. .064 7 1 4 5 13
502	ha 1.09 108.374 -63.043 .02 1 3 0 0 0
503	cb 1.53 108. 55.503 .16 7 3 6 7 9
504	hb 1.09 110.93 -56.998 .015 1 5 0 0 0
505	og1 1.425 104.1 4*x1 180. -.31 10 5 8 0 0
506	hg1 1. 110. 5*x21 180. .17 5 7 0 0 0
507	cg2 1.53 112.5 67.919 -.095 7 5 10 11 12
508	hg21 1.09 109.47 4*x22 60. .03 1 9 0 0 0
509	hg22 1.09 109.47 -60. .03 1 9 0 0 0
510	hg23 1.09 109.47 180. .03 1 9 0 0 0
511	c 1.53 110.4 2*phi 180. .45 8 3 -14 0 0
512	o 1.23 120.5 180. -.384 11 -13 0 0 0
513	#trp 24 23
514	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
515	h 1. 124. 0. .176 4 1 0 0 0
516	ca 1.453 121. 1*omg 180. .064 7 1 4 5 23
517	ha 1.09 107.799 -61.187 .02 1 3 0 0 0
518	cb 1.53 111. 55.612 -.03 7 3 6 7 8
519	hb1 1.09 108.903 -58.177 .015 1 5 0 0 0
520	hb2 1.09 108.903 58.177 .015 1 5 0 0 0
521	cg 1.53 114. 4*x1 180. -.025 9 5 -9 22 0
522	cd1 1.34 128. 12*x2 180. .085 9 -8 10 11 0
523	hd1 1.09 124.25 0. .0 2 9 0 0 0
524	ne1 1.38 111.5 180. -.28 13 9 12 13 0
525	he1 1. 126.3 180. .13 4 11 0 0 0
526	ce2 1.39 107.4 0. .15 9 11 14 -22 0
527	cz2 1.4 129.4 180. -.06 9 13 15 -16 0
528	hz2 1.09 121.8 0. .03 2 14 0 0 0
529	ch2 1.39 116.4 180. -.005 9 -14 17 18 0
530	hh2 1.09 120.15 180. .01 2 16 0 0 0
531	cz3 1.39 119.7 0. -.02 9 16 19 -20 0
532	hz3 1.09 117.7 180. .01 2 18 0 0 0
533	ce3 1.4 124.6 0. -.08 9 -18 21 22 0
534	he3 1.09 122.5 180. .08 2 20 0 0 0
535	cd2 1.41 115. 0. .005 9 20 8 -13 0
536	c 1.53 108. 2*phi 180. .45 8 3 -24 0 0
537	o 1.23 120.5 180. -.384 11 -23 0 0 0
538	#tyr 21 20
539	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
540	h 1. 124. 0. .176 4 1 0 0 0
541	ca 1.453 121. 1*omg 180. .064 7 1 4 5 20
542	ha 1.09 107.973 -60.509 .02 1 3 0 0 0
543	cb 1.53 106. 61.78 -.04 7 3 6 7 8
544	hb1 1.09 108.903 -58.177 .025 1 5 0 0 0
545	hb2 1.09 108.903 58.177 .025 1 5 0 0 0
546	cg 1.53 114. 4*x1 180. .02 9 5 -9 18 0
547	cd1 1.38 120. 12*x2 180. -.01 9 -8 10 11 0
548	hd1 1.09 120. 0. .01 2 9 0 0 0
549	ce1 1.44 120. 180. -.06 9 9 12 -13 0
550	he1 1.09 120.75 180. .03 2 11 0 0 0
551	cz 1.36 118.5 0. .225 9 -11 14 16 0
552	oh 1.36 118.5 180. -.33 10 13 15 0 0
553	hh 1. 110. 15*x6 180. .165 5 14 0 0 0
554	ce2 1.36 123. 0. -.06 9 13 17 -18 0
555	he2 1.09 120.75 180. .03 2 16 0 0 0
556	cd2 1.44 118.5 0. -.01 9 -16 19 8 0
557	hd2 1.09 120. 180. .01 2 18 0 0 0
558	c 1.53 111. 2*phi 180. .45 8 3 -21 0 0
559	o 1.23 120.5 180. -.384 11 -20 0 0 0
560	#val 16 15
561	n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
562	h 1. 124. 0. .176 4 1 0 0 0
563	ca 1.453 121. 1*omg 180. .064 7 1 4 5 15
564	ha 1.09 107.568 -62.068 .02 1 3 0 0 0
565	cb 1.53 110. 55.387 .008 7 3 6 7 11
566	hb 1.09 107.895 61.977 .016 1 5 0 0 0
567	cg1 1.53 111. 4*x1 180. -.072 7 5 8 9 10
568	hg11 1.09 109.47 4*x21 -60. .025 1 7 0 0 0
569	hg12 1.09 109.47 60. .025 1 7 0 0 0
570	hg13 1.09 109.47 180. .025 1 7 0 0 0
571	cg2 1.53 111. -56.046 -.072 7 5 12 13 14
572	hg21 1.09 109.47 4*x22 -60. .025 1 11 0 0 0
573	hg22 1.09 109.47 60. .025 1 11 0 0 0
574	hg23 1.09 109.47 180. .025 1 11 0 0 0
575	c 1.53 109.3 2*phi 180. .45 8 3 -16 0 0
576	o 1.23 120.5 180. -.384 11 -15 0 0 0
577	#ace 6 5
578	ch3 1.453 121. 180. -.129 7 2 3 4 5
579	h1 1.09 0. 0. .020 1 1 0 0 0
580	h2 1.09 109.471 -60.001 .020 1 1 0 0 0
581	h3 1.09 109.471 60.001 .020 1 1 0 0 0
582	c 1.49 109.471 180. .455 8 1 -6 0 0
583	o 1.23 120.5 180. -.386 11 -5 0 0 0
584	#nme 6 3
585	n 1.453 115. 3*psi 180. -.345 13 0 2 3 0
586	h 1. 124. 0. .163 4 1 0 0 0
587	c 1.325 121. 1*omg 180. .05 7 1 4 5 6
588	h1 1.09 109.47 2*pht 180. .044 1 3 0 0 0
589	h2 1.09 109.47 -60. .044 1 3 0 0 0
590	h3 1.09 109.47 60. .044 1 3 0 0 0
591	#nh1 2 1 # only for pron
592	n 1.497 109.8 3*psi 180. -.257 13 0 2 0 0
593	h 1. 126.098 -51.277 .108 4 1 0 0 0
594	#nh2 3 1
595	n 1.453 109.3 3*psi 180. -.332 14 0 2 3 0
596	h1 1. 112. 6*phi 180. .076 4 1 0 0 0
597	h2 1. 112. -60. .076 4 1 0 0 0
598	#nh2g 3 1 # only for gly
599	n 1.453 109.3 3*psi 180. -.328 14 0 2 3 0
600	h1 1. 112. 6*phi 180. .080 4 1 0 0 0
601	h2 1. 112. -60. .080 4 1 0 0 0
602	#nh2+ 3 1 # only for pro+
603	n 1.497 109.8 3*psi 180. -.248 13 0 2 3 0
604	h1 1. 109.879 -111.549 .250 3 1 0 0 0
605	h2 1. 109.879 8.995 .250 3 1 0 0 0
606	#nh3+ 4 1
607	n 1.453 109.3 3*psi 180. -.242 13 0 2 3 4
608	h1 1. 109.47 7*phi 180. .354 3 1 0 0 0
609	h2 1. 109.47 60. .354 3 1 0 0 0
610	h3 1. 109.47 -60. .354 3 1 0 0 0
611	#nh3g 4 1 # only for gly
612	n 1.453 109.3 3*psi 180. -.242 13 0 2 3 4
613	h1 1. 109.47 7*phi 180. .358 3 1 0 0 0
614	h2 1. 109.47 60. .358 3 1 0 0 0
615	h3 1. 109.47 -60. .358 3 1 0 0 0
616	#cooh 4 1
617	c 1.53 109.3 2*phi 180. .517 8 0 -2 3 0
618	o 1.23 120.5 0. -.351 11 -1 0 0 0
619	oxt 1.29 115. 9*pst 180. -.334 10 1 4 0 0
620	hxt 1. 110. 16*omt 180. .235 5 3 0 0 0
621	#gooh 4 1 # only for gly
622	c 1.53 109.3 2*phi 180. .518 8 0 -2 3 0
623	o 1.23 120.5 0. -.347 11 -1 0 0 0
624	oxt 1.29 115. 9*pst 180. -.335 10 1 4 0 0
625	hxt 1. 110. 16*omt 180. .23 5 3 0 0 0
626	#coo- 3 1
627	c 1.53 109.3 2*phi 180. .395 8 0 -2 -3 0
628	o 1.25 117. 0. -.664 12 -1 0 0 0
629	oxt 1.25 117. 10*pst 180. -.664 12 -1 0 0 0
630	#goo- 3 1 # only for gly
631	c 1.53 109.3 2*phi 180. .396 8 0 -2 -3 0
632	o 1.25 117. 0. -.665 12 -1 0 0 0
633	oxt 1.25 117. 10*pst 180. -.665 12 -1 0 0 0

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