1 | #ala 10 9
|
---|
2 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
3 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
4 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 9
|
---|
5 | ha 1.080 109.000 -61.698 .02 1 3 0 0 0
|
---|
6 | cb 1.53 110.000 56.472 -.09 7 3 6 7 8
|
---|
7 | hb1 1.0 109.47 4*x1 180. .04 1 5 0 0 0
|
---|
8 | hb2 1.0 109.47 -60. .04 1 5 0 0 0
|
---|
9 | hb3 1.0 109.47 60. .04 1 5 0 0 0
|
---|
10 | c 1.520 111.000 2*phi 180. .45 8 3 -10 0 0
|
---|
11 | o 1.230 121.700 180. -.384 11 -9 0 0 0
|
---|
12 | #arg 24 23
|
---|
13 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
14 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
15 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 23
|
---|
16 | ha 1.080 109.000 -60.35 .02 1 3 0 0 0
|
---|
17 | cb 1.53 110.000 58.763 -.03 7 3 6 7 8
|
---|
18 | hb1 1.0 108.1 -58.624 .015 1 5 0 0 0
|
---|
19 | hb2 1.0 108.1 58.624 .015 1 5 0 0 0
|
---|
20 | cg 1.52 113.7 4*x1 180. -.03 7 5 9 10 11
|
---|
21 | hg1 1.0 108.8 -58.624 .03 1 8 0 0 0
|
---|
22 | hg2 1.0 108.8 58.624 .03 1 8 0 0 0
|
---|
23 | cd 1.52 111.5 4*x2 180. .12 7 8 12 13 14
|
---|
24 | hd1 1.0 108.8 -58.778 .01 1 11 0 0 0
|
---|
25 | hd2 1.0 108.8 58.778 .01 1 11 0 0 0
|
---|
26 | ne 1.46 111.5 4*x3 180. -.3 13 11 15 16 0
|
---|
27 | he 1. 115.6 0. .23 4 14 0 0 0
|
---|
28 | cz 1.33 124.4 8*x4 180. .58 9 14 -17 -20 0
|
---|
29 | nh1 1.33 120. 17*x5 0. -.39 13 -16 18 19 0
|
---|
30 | hh11 1. 120. 18*x61 180. .28 4 17 0 0 0
|
---|
31 | hh12 1. 120. 0. .28 4 17 0 0 0
|
---|
32 | nh2 1.33 120. 180. -.39 13 -16 21 22 0
|
---|
33 | hh21 1. 120. 18*x62 180. .28 4 20 0 0 0
|
---|
34 | hh22 1. 120. 0. .28 4 20 0 0 0
|
---|
35 | c 1.520 111.000 2*phi 180. .45 8 3 -24 0 0
|
---|
36 | o 1.230 121.700 180. -.384 11 -23 0 0 0
|
---|
37 | #asn 14 13
|
---|
38 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
39 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
40 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 13
|
---|
41 | ha 1.080 109.000 -58.981 .02 1 3 0 0 0
|
---|
42 | cb 1.53 110.000 60.978 -.12 7 3 6 7 8
|
---|
43 | hb1 1.0 108.4 -58.624 .055 1 5 0 0 0
|
---|
44 | hb2 1.0 108.4 58.624 .055 1 5 0 0 0
|
---|
45 | cg 1.52 112.6 4*x1 180. .46 8 5 -9 10 0
|
---|
46 | od1 1.23 120.9 11*x2 180. -.375 11 -8 0 0 0
|
---|
47 | nd2 1.33 117. 0. -.445 14 8 11 12 0
|
---|
48 | hd21 1. 120. 19*x3 0. .2 4 10 0 0 0
|
---|
49 | hd22 1. 120. 180. .2 4 10 0 0 0
|
---|
50 | c 1.520 111.000 2*phi 180. .45 8 3 -14 0 0
|
---|
51 | o 1.230 121.700 180. -.384 11 -13 0 0 0
|
---|
52 | #asp 12 11
|
---|
53 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
54 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
55 | ca 1.460 121.700 1*omg 180. -.06 7 1 4 5 11
|
---|
56 | ha 1.080 109.000 -58.978 .024 1 3 0 0 0
|
---|
57 | cb 1.53 110.000 60.917 -.17 7 3 6 7 8
|
---|
58 | hb1 1.0 108.2 -58.622 -.02 1 5 0 0 0
|
---|
59 | hb2 1.0 108.2 58.624 -.02 1 5 0 0 0
|
---|
60 | cg 1.52 113.2 4*x1 180. .5 8 5 -9 -10 0
|
---|
61 | od1 1.25 118.6 10*x2 180. -.57 12 -8 0 0 0
|
---|
62 | od2 1.25 118.6 0. -.57 12 -8 0 0 0
|
---|
63 | c 1.520 111.000 2*phi 180. .45 8 3 -12 0 0
|
---|
64 | o 1.230 121.700 180. -.384 11 -11 0 0 0
|
---|
65 | #cys 11 10
|
---|
66 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
67 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
68 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 10
|
---|
69 | ha 1.080 109.000 -60.68 .02 1 3 0 0 0
|
---|
70 | cb 1.53 110.000 56.329 -.105 7 3 6 7 8
|
---|
71 | hb1 1.0 108.1 -58.778 .055 1 5 0 0 0
|
---|
72 | hb2 1.0 108.1 58.778 .055 1 5 0 0 0
|
---|
73 | sg 1.81 113.4 4*x1 180. .015 16 5 9 0 0
|
---|
74 | hg 1.0 108.0 14*x2 180. .01 6 8 0 0 0
|
---|
75 | c 1.520 111.000 2*phi 180. .45 8 3 -11 0 0
|
---|
76 | o 1.230 121.700 180. -.384 11 -10 0 0 0
|
---|
77 | #gln 17 16
|
---|
78 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
79 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
80 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 16
|
---|
81 | ha 1.080 109.000 -61.482 .02 1 3 0 0 0
|
---|
82 | cb 1.53 110.000 56.545 -.03 7 3 6 7 8
|
---|
83 | hb1 1.0 108.1 -58.624 .02 1 5 0 0 0
|
---|
84 | hb2 1.0 108.1 58.624 .02 1 5 0 0 0
|
---|
85 | cg 1.52 113.7 4*x1 180. -.11 7 5 9 10 11
|
---|
86 | hg1 1.0 108.4 -58.624 .05 1 8 0 0 0
|
---|
87 | hg2 1.0 108.4 58.624 .05 1 8 0 0 0
|
---|
88 | cd 1.52 112.6 4*x2 180. .47 8 8 -12 13 0
|
---|
89 | oe1 1.23 121.0 11*x3 180. -.38 11 -11 0 0 0
|
---|
90 | ne2 1.33 116.9 0. -.43 14 11 14 15 0
|
---|
91 | he21 1. 120. 19*x4 0. .185 4 13 0 0 0
|
---|
92 | he22 1. 120. 180. .185 4 13 0 0 0
|
---|
93 | c 1.520 111.000 2*phi 180. .45 8 3 -17 0 0
|
---|
94 | o 1.230 121.700 180. -.384 11 -16 0 0 0
|
---|
95 | #glu 15 14
|
---|
96 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
97 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
98 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 14
|
---|
99 | ha 1.080 109.000 -61.482 .02 1 3 0 0 0
|
---|
100 | cb 1.53 110.000 56.545 -.12 7 3 6 7 8
|
---|
101 | hb1 1.0 108.1 -58.624 .02 1 5 0 0 0
|
---|
102 | hb2 1.0 108.1 58.624 .02 1 5 0 0 0
|
---|
103 | cg 1.52 114.1 4*x1 180. -.17 7 5 9 10 11
|
---|
104 | hg1 1.0 108.2 -58.624 -.04 1 8 0 0 0
|
---|
105 | hg2 1.0 108.2 58.624 -.04 1 8 0 0 0
|
---|
106 | cd 1.52 113.2 4*x2 180. .5 8 8 -12 -13 0
|
---|
107 | oe1 1.25 118.5 10*x3 180. -.57 12 -11 0 0 0
|
---|
108 | oe2 1.25 118.5 0. -.57 12 -11 0 0 0
|
---|
109 | c 1.520 111.000 2*phi 180. .45 8 3 -15 0 0
|
---|
110 | o 1.230 121.700 180. -.384 11 -14 0 0 0
|
---|
111 | #gly 7 6
|
---|
112 | n 1.330 116.600 3*psi 180. -.344 13 0 2 3 0
|
---|
113 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
114 | ca 1.460 121.700 1*omg 180. -.008 7 1 4 5 6
|
---|
115 | ha1 1.08 109.000 -58.624 .055 1 3 0 0 0
|
---|
116 | ha2 1.08 109.000 58.624 .055 1 3 0 0 0
|
---|
117 | c 1.520 111.000 2*phi 180. .45 8 3 -7 0 0
|
---|
118 | o 1.230 121.700 180. -.384 11 -6 0 0 0
|
---|
119 | #his 17 16
|
---|
120 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
121 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
122 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 16
|
---|
123 | ha 1.080 109.000 -62.135 .02 1 3 0 0 0
|
---|
124 | cb 1.53 110.000 54.88 -.04 7 3 6 7 8
|
---|
125 | hb1 1.0 108.2 -58.177 .015 1 5 0 0 0
|
---|
126 | hb2 1.0 108.2 58.177 .015 1 5 0 0 0
|
---|
127 | cg 1.52 113.2 4*x1 180. .055 9 5 9 -14 0
|
---|
128 | nd1 1.35 126.0 12*x2 180. -.25 13 8 10 11 0
|
---|
129 | hd1 1. 126.0 0. .15 4 9 0 0 0
|
---|
130 | ce1 1.35 108. 180. .19 9 9 12 -13 0
|
---|
131 | he1 1.0 126. 180. .02 2 11 0 0 0
|
---|
132 | ne2 1.35 108. 0. -.24 15 -11 14 0 0
|
---|
133 | cd2 1.35 108. 0. .08 9 13 -8 15 0
|
---|
134 | hd2 1.0 126. 180. .035 2 14 0 0 0
|
---|
135 | c 1.520 111.000 2*phi 180. .45 8 3 -17 0 0
|
---|
136 | o 1.230 121.700 180. -.384 11 -16 0 0 0
|
---|
137 | #ile 19 18
|
---|
138 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
139 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
140 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 18
|
---|
141 | ha 1.080 109.000 -62.498 .02 1 3 0 0 0
|
---|
142 | cb 1.53 110.000 54.154 -.005 7 3 6 7 11
|
---|
143 | hb 1.0 109.2 -62.625 .025 1 5 0 0 0
|
---|
144 | cg2 1.53 110.4 54.749 -.075 7 5 8 9 10
|
---|
145 | hg21 1.0 109.47 4*x22 -60. .025 1 7 0 0 0
|
---|
146 | hg22 1.0 109.47 60. .025 1 7 0 0 0
|
---|
147 | hg23 1.0 109.47 180. .025 1 7 0 0 0
|
---|
148 | cg1 1.53 110.4 4*x1 180. -.02 7 5 12 13 14
|
---|
149 | hg11 1.0 108.1 -58.624 .015 1 11 0 0 0
|
---|
150 | hg12 1.0 108.1 58.624 .015 1 11 0 0 0
|
---|
151 | cd1 1.53 113.6 4*x21 180. -.075 7 11 15 16 17
|
---|
152 | hd11 1.0 109.47 4*x31 -60. .025 1 14 0 0 0
|
---|
153 | hd12 1.0 109.47 60. .025 1 14 0 0 0
|
---|
154 | hd13 1.0 109.47 180. .025 1 14 0 0 0
|
---|
155 | c 1.520 111.000 2*phi 180. .45 8 3 -19 0 0
|
---|
156 | o 1.230 121.700 180. -.384 11 -18 0 0 0
|
---|
157 | #leu 19 18
|
---|
158 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
159 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
160 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 18
|
---|
161 | ha 1.080 109.000 -62.498 .02 1 3 0 0 0
|
---|
162 | cb 1.53 110.000 54.154 -.03 7 3 6 7 8
|
---|
163 | hb1 1.0 107. -57.891 .022 1 5 0 0 0
|
---|
164 | hb2 1.0 107. 57.891 .022 1 5 0 0 0
|
---|
165 | cg 1.53 117.1 4*x1 180. -.011 7 5 9 10 14
|
---|
166 | hg 1.0 109.3 62.625 .025 1 8 0 0 0
|
---|
167 | cd1 1.52 110.1 4*x2 180. -.074 7 8 11 12 13
|
---|
168 | hd11 1.0 109.47 4*x31 -60. .025 1 10 0 0 0
|
---|
169 | hd12 1.0 109.47 60. .025 1 10 0 0 0
|
---|
170 | hd13 1.0 109.47 180. .025 1 10 0 0 0
|
---|
171 | cd2 1.52 110.1 -54.749 -.074 7 8 15 16 17
|
---|
172 | hd21 1.0 109.47 4*x32 -60. .025 1 14 0 0 0
|
---|
173 | hd22 1.0 109.47 60. .025 1 14 0 0 0
|
---|
174 | hd23 1.0 109.47 180. .025 1 14 0 0 0
|
---|
175 | c 1.520 111.000 2*phi 180. .45 8 3 -19 0 0
|
---|
176 | o 1.230 121.700 180. -.384 11 -18 0 0 0
|
---|
177 | #lys 22 21
|
---|
178 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
179 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
180 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 21
|
---|
181 | ha 1.080 109.000 -62.498 .02 1 3 0 0 0
|
---|
182 | cb 1.53 110.000 54.154 -.03 7 3 6 7 8
|
---|
183 | hb1 1.0 108.1 -58.624 .015 1 5 0 0 0
|
---|
184 | hb2 1.0 108.1 58.624 .015 1 5 0 0 0
|
---|
185 | cg 1.52 113.8 4*x1 180. -.025 7 5 9 10 11
|
---|
186 | hg1 1.0 108.8 -58.624 .02 1 8 0 0 0
|
---|
187 | hg2 1.0 108.8 58.624 .02 1 8 0 0 0
|
---|
188 | cd 1.52 111.6 4*x2 180. -.115 7 8 12 13 14
|
---|
189 | hd1 1.0 108.8 -58.624 .1 1 11 0 0 0
|
---|
190 | hd2 1.0 108.8 58.624 .1 1 11 0 0 0
|
---|
191 | ce 1.52 111.6 4*x3 180. .05 7 11 15 16 17
|
---|
192 | he1 1.0 108.8 -58.701 .12 1 14 0 0 0
|
---|
193 | he2 1.0 108.8 58.701 .12 1 14 0 0 0
|
---|
194 | nz 1.49 111.6 4*x4 180. -.32 13 14 18 19 20
|
---|
195 | hz1 1.0 109.47 7*x5 180. .32 3 17 0 0 0
|
---|
196 | hz2 1.0 109.47 -60. .32 3 17 0 0 0
|
---|
197 | hz3 1.0 109.47 60. .32 3 17 0 0 0
|
---|
198 | c 1.520 111.000 2*phi 180. .45 8 3 -22 0 0
|
---|
199 | o 1.230 121.700 180. -.384 11 -21 0 0 0
|
---|
200 | #met 17 16
|
---|
201 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
202 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
203 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 16
|
---|
204 | ha 1.080 109.000 -60.996 .02 1 3 0 0 0
|
---|
205 | cb 1.53 110.000 58.986 -.01 7 3 6 7 8
|
---|
206 | hb1 1.0 108.1 -58.624 .03 1 5 0 0 0
|
---|
207 | hb2 1.0 108.1 58.624 .03 1 5 0 0 0
|
---|
208 | cg 1.52 113.5 4*x1 180. -.12 7 5 9 10 11
|
---|
209 | hg1 1.0 108.7 -58.778 .045 1 8 0 0 0
|
---|
210 | hg2 1.0 108.7 58.778 .045 1 8 0 0 0
|
---|
211 | sd 1.810 111.9 4*x2 180. .035 16 8 12 0 0
|
---|
212 | ce 1.79 100.5 13*x3 180. -.19 7 11 13 14 15
|
---|
213 | he1 1.0 109.47 13*x4 -60. .055 1 12 0 0 0
|
---|
214 | he2 1.0 109.47 60. .055 1 12 0 0 0
|
---|
215 | he3 1.0 109.47 180. .055 1 12 0 0 0
|
---|
216 | c 1.520 111.000 2*phi 180. .45 8 3 -17 0 0
|
---|
217 | o 1.230 121.700 180. -.384 11 -16 0 0 0
|
---|
218 | #phe 20 19
|
---|
219 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
220 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
221 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 19
|
---|
222 | ha 1.080 109.000 -60.574 .02 1 3 0 0 0
|
---|
223 | cb 1.53 110.000 61.182 -.04 7 3 6 7 8
|
---|
224 | hb1 1.0 108.1 -58.177 .025 1 5 0 0 0
|
---|
225 | hb2 1.0 108.1 58.177 .025 1 5 0 0 0
|
---|
226 | cg 1.52 113.7 4*x1 180. .02 9 5 -9 17 0
|
---|
227 | cd1 1.39 120. 12*x2 180. -.015 9 -8 10 11 0
|
---|
228 | hd1 1.0 120. 0. .01 2 9 0 0 0
|
---|
229 | ce1 1.39 120. 180. -.015 9 9 12 -13 0
|
---|
230 | he1 1.0 120. 180. .01 2 11 0 0 0
|
---|
231 | cz 1.39 120. 0. .015 9 -11 14 15 0
|
---|
232 | hz 1.0 120. 180. .005 2 13 0 0 0
|
---|
233 | ce2 1.39 120. 0. -.015 9 13 16 -17 0
|
---|
234 | he2 1.0 120. 180. .01 2 15 0 0 0
|
---|
235 | cd2 1.39 120. 0. -.015 9 -15 18 8 0
|
---|
236 | hd2 1.0 120. 180. .01 2 17 0 0 0
|
---|
237 | c 1.520 111.000 2*phi 180. .45 8 3 -20 0 0
|
---|
238 | o 1.230 121.700 180. -.384 11 -19 0 0 0
|
---|
239 | #pro 14 13
|
---|
240 | n 1.330 116.600 3*psi 180. -.297 13 0 2 10 0
|
---|
241 | ca 1.460 121.700 1*omg 180. .057 7 1 3 4 13
|
---|
242 | ha 1.080 109.000 53.7 .021 1 2 0 0 0
|
---|
243 | cb 1.53 110.000 174.1 -.026 7 2 5 6 7
|
---|
244 | hb1 1.0 111.6 120. .023 1 4 0 0 0
|
---|
245 | hb2 1.0 111.6 -120. .023 1 4 0 0 0
|
---|
246 | cg 1.51 103.3 0.0 -.034 7 4 8 9 10
|
---|
247 | hg1 1.0 109. 120. .025 1 7 0 0 0
|
---|
248 | hg2 1.0 109. -120. .025 1 7 0 0 0
|
---|
249 | cd 1.51 110.8 0.0 .095 18 7 11 12 1
|
---|
250 | hd1 1.0 110.7 120. .005 17 10 0 0 0
|
---|
251 | hd2 1.0 110.7 -120. .005 17 10 0 0 0
|
---|
252 | c 1.520 111.000 -65.0 .456 8 2 -14 0 0
|
---|
253 | o 1.230 121.700 180. -.38 11 -13 0 0 0
|
---|
254 | #ser 11 10
|
---|
255 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
256 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
257 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 10
|
---|
258 | ha 1.080 109.000 -60.837 .02 1 3 0 0 0
|
---|
259 | cb 1.53 110.000 57.576 .13 7 3 6 7 8
|
---|
260 | hb1 1.0 109.1 -58.473 .02 1 5 0 0 0
|
---|
261 | hb2 1.0 109.1 58.473 .02 1 5 0 0 0
|
---|
262 | og 1.42 110.6 4*x1 180. -.31 10 5 9 0 0
|
---|
263 | hg 1. 108. 5*x2 180. .17 5 8 0 0 0
|
---|
264 | c 1.520 111.000 2*phi 180. .45 8 3 -11 0 0
|
---|
265 | o 1.230 121.700 180. -.384 11 -10 0 0 0
|
---|
266 | #thr 14 13
|
---|
267 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
268 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
269 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 13
|
---|
270 | ha 1.080 109.000 -63.043 .02 1 3 0 0 0
|
---|
271 | cb 1.53 110.000 55.503 .16 7 3 6 7 9
|
---|
272 | hb 1.0 109.3 -56.998 .015 1 5 0 0 0
|
---|
273 | og1 1.43 108.6 4*x1 180. -.31 10 5 8 0 0
|
---|
274 | hg1 1. 108. 5*x21 180. .17 5 7 0 0 0
|
---|
275 | cg2 1.52 111.5 67.919 -.095 7 5 10 11 12
|
---|
276 | hg21 1.0 109.47 4*x22 60. .03 1 9 0 0 0
|
---|
277 | hg22 1.0 109.47 -60. .03 1 9 0 0 0
|
---|
278 | hg23 1.0 109.47 180. .03 1 9 0 0 0
|
---|
279 | c 1.520 111.000 2*phi 180. .45 8 3 -14 0 0
|
---|
280 | o 1.230 121.700 180. -.384 11 -13 0 0 0
|
---|
281 | #trp 24 23
|
---|
282 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
283 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
284 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 23
|
---|
285 | ha 1.080 109.000 -61.187 .02 1 3 0 0 0
|
---|
286 | cb 1.53 110.000 55.612 -.03 7 3 6 7 8
|
---|
287 | hb1 1.0 108.1 -58.177 .015 1 5 0 0 0
|
---|
288 | hb2 1.0 108.1 58.177 .015 1 5 0 0 0
|
---|
289 | cg 1.5 113.8 4*x1 180. -.025 9 5 -9 22 0
|
---|
290 | cd1 1.39 126. 12*x2 180. .085 9 -8 10 11 0
|
---|
291 | hd1 1.0 126. 0. .0 2 9 0 0 0
|
---|
292 | ne1 1.39 108. 180. -.28 13 9 12 13 0
|
---|
293 | he1 1. 126. 180. .13 4 11 0 0 0
|
---|
294 | ce2 1.39 108. 0. .15 9 11 14 -22 0
|
---|
295 | cz2 1.39 132.0 180. -.06 9 13 15 -16 0
|
---|
296 | hz2 1.0 120. 0. .03 2 14 0 0 0
|
---|
297 | ch2 1.39 120. 180. -.005 9 -14 17 18 0
|
---|
298 | hh2 1.0 120. 180. .01 2 16 0 0 0
|
---|
299 | cz3 1.39 120. 0. -.02 9 16 19 -20 0
|
---|
300 | hz3 1.0 120. 180. .01 2 18 0 0 0
|
---|
301 | ce3 1.39 120. 0. -.08 9 -18 21 22 0
|
---|
302 | he3 1.0 120. 180. .08 2 20 0 0 0
|
---|
303 | cd2 1.39 120. 0. .005 9 20 8 -13 0
|
---|
304 | c 1.520 111.000 2*phi 180. .45 8 3 -24 0 0
|
---|
305 | o 1.230 121.700 180. -.384 11 -23 0 0 0
|
---|
306 | #tyr 21 20
|
---|
307 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
308 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
309 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 20
|
---|
310 | ha 1.080 109.000 -60.509 .02 1 3 0 0 0
|
---|
311 | cb 1.53 110.000 61.78 -.04 7 3 6 7 8
|
---|
312 | hb1 1.0 108.1 -58.177 .025 1 5 0 0 0
|
---|
313 | hb2 1.0 108.1 58.177 .025 1 5 0 0 0
|
---|
314 | cg 1.51 113.6 4*x1 180. .02 9 5 -9 18 0
|
---|
315 | cd1 1.39 120. 12*x2 180. -.01 9 -8 10 11 0
|
---|
316 | hd1 1.0 120. 0. .01 2 9 0 0 0
|
---|
317 | ce1 1.39 120. 180. -.06 9 9 12 -13 0
|
---|
318 | he1 1.0 120. 180. .03 2 11 0 0 0
|
---|
319 | cz 1.39 120. 0. .225 9 -11 14 16 0
|
---|
320 | oh 1.38 120.0 180. -.33 10 13 15 0 0
|
---|
321 | hh 1. 108. 15*x6 180. .165 5 14 0 0 0
|
---|
322 | ce2 1.39 120. 0. -.06 9 13 17 -18 0
|
---|
323 | he2 1.0 120. 180. .03 2 16 0 0 0
|
---|
324 | cd2 1.39 120. 0. -.01 9 -16 19 8 0
|
---|
325 | hd2 1.0 120. 180. .01 2 18 0 0 0
|
---|
326 | c 1.520 111.000 2*phi 180. .45 8 3 -21 0 0
|
---|
327 | o 1.230 121.700 180. -.384 11 -20 0 0 0
|
---|
328 | #val 16 15
|
---|
329 | n 1.330 116.600 3*psi 180. -.356 13 0 2 3 0
|
---|
330 | h 1. 120.000 0. .176 4 1 0 0 0
|
---|
331 | ca 1.460 121.700 1*omg 180. .064 7 1 4 5 15
|
---|
332 | ha 1.080 109.000 -62.068 .02 1 3 0 0 0
|
---|
333 | cb 1.53 110.000 55.387 .008 7 3 6 7 11
|
---|
334 | hb 1.0 109.1 61.977 .016 1 5 0 0 0
|
---|
335 | cg1 1.52 110.7 4*x1 180. -.072 7 5 8 9 10
|
---|
336 | hg11 1.0 109.47 4*x21 -60. .025 1 7 0 0 0
|
---|
337 | hg12 1.0 109.47 60. .025 1 7 0 0 0
|
---|
338 | hg13 1.0 109.47 180. .025 1 7 0 0 0
|
---|
339 | cg2 1.52 110.7 -56.046 -.072 7 5 12 13 14
|
---|
340 | hg21 1.0 109.47 4*x22 -60. .025 1 11 0 0 0
|
---|
341 | hg22 1.0 109.47 60. .025 1 11 0 0 0
|
---|
342 | hg23 1.0 109.47 180. .025 1 11 0 0 0
|
---|
343 | c 1.520 111.000 2*phi 180. .45 8 3 -16 0 0
|
---|
344 | o 1.230 121.700 180. -.384 11 -15 0 0 0
|
---|
345 | #ace 6 5
|
---|
346 | ch3 1.46 121.7 180. -.129 7 2 3 4 5
|
---|
347 | h1 1.0 109.471 0. .020 1 1 0 0 0
|
---|
348 | h2 1.0 109.471 -60.001 .020 1 1 0 0 0
|
---|
349 | h3 1.0 109.471 60.001 .020 1 1 0 0 0
|
---|
350 | c 1.520 111.000 180. .455 8 1 -6 0 0
|
---|
351 | o 1.230 121.700 180. -.386 11 -5 0 0 0
|
---|
352 | #nme 6 3
|
---|
353 | n 1.330 116.600 3*psi 180. -.345 13 0 2 3 0
|
---|
354 | h 1. 120.000 0. .163 4 1 0 0 0
|
---|
355 | c 1.520 111.000 1*omg 180. .05 7 1 4 5 6
|
---|
356 | h1 1.0 109.47 2*pht 180. .044 1 3 0 0 0
|
---|
357 | h2 1.0 109.47 -60. .044 1 3 0 0 0
|
---|
358 | h3 1.0 109.47 60. .044 1 3 0 0 0
|
---|
359 | #nh2 4 1
|
---|
360 | n 1.330 116.600 3*psi 180. -.242 13 0 2 3 4
|
---|
361 | h1 1. 109.47 7*phi 180. .354 3 1 0 0 0
|
---|
362 | h2 1. 109.47 60. .354 3 1 0 0 0
|
---|
363 | h3 1. 109.47 -60. .354 3 1 0 0 0
|
---|
364 | #nh3+ 4 1
|
---|
365 | n 1.330 116.600 3*psi 180. -.242 13 0 2 3 4
|
---|
366 | h1 1. 109.47 7*phi 180. .354 3 1 0 0 0
|
---|
367 | h2 1. 109.47 60. .354 3 1 0 0 0
|
---|
368 | h3 1. 109.47 -60. .354 3 1 0 0 0
|
---|
369 | #nh2g 4 1
|
---|
370 | n 1.330 116.600 3*psi 180. -.242 13 0 2 3 4
|
---|
371 | h1 1. 109.47 7*phi 180. .354 3 1 0 0 0
|
---|
372 | h2 1. 109.47 60. .354 3 1 0 0 0
|
---|
373 | h3 1. 109.47 -60. .354 3 1 0 0 0
|
---|
374 | #nh3g 4 1
|
---|
375 | n 1.330 116.600 3*psi 180. -.242 13 0 2 3 4
|
---|
376 | h1 1. 109.47 7*phi 180. .354 3 1 0 0 0
|
---|
377 | h2 1. 109.47 60. .354 3 1 0 0 0
|
---|
378 | h3 1. 109.47 -60. .354 3 1 0 0 0
|
---|
379 | #cooh 3 1
|
---|
380 | c 1.520 111.000 2*phi 180. .395 8 0 -2 -3 0
|
---|
381 | o 1.230 121.700 0. -.664 12 -1 0 0 0
|
---|
382 | oxt 1.230 121.700 10*pst 180. -.664 12 -1 0 0 0
|
---|
383 | #coo- 3 1
|
---|
384 | c 1.520 111.000 2*phi 180. .395 8 0 -2 -3 0
|
---|
385 | o 1.230 121.700 0. -.664 12 -1 0 0 0
|
---|
386 | oxt 1.230 121.700 10*pst 180. -.664 12 -1 0 0 0
|
---|
387 | #goo- 3 1 # only for gly
|
---|
388 | c 1.520 111.000 2*phi 180. .396 8 0 -2 -3 0
|
---|
389 | o 1.230 121.700 0. -.665 12 -1 0 0 0
|
---|
390 | oxt 1.230 121.700 10*pst 180. -.665 12 -1 0 0 0
|
---|