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lines changed Original file line number Diff line number Diff line change 1+ MODEL 0
2+ ATOM 1 H1 ACE A 1 -2.882 -0.906 2.598 1.00 0.00 H
3+ ATOM 2 CH3 ACE A 1 -2.608 0.143 2.592 1.00 0.00 C
4+ ATOM 3 H2 ACE A 1 -2.707 0.546 3.597 1.00 0.00 H
5+ ATOM 4 H3 ACE A 1 -3.262 0.682 1.923 1.00 0.00 H
6+ ATOM 5 C ACE A 1 -1.176 0.282 2.163 1.00 0.00 C
7+ ATOM 6 O ACE A 1 -0.338 0.684 2.950 1.00 0.00 O
8+ ATOM 7 N ALA A 2 -0.900 -0.036 0.917 1.00 0.00 N
9+ ATOM 8 H ALA A 2 -1.647 -0.353 0.324 1.00 0.00 H
10+ ATOM 9 CA ALA A 2 0.429 0.024 0.295 1.00 0.00 C
11+ ATOM 10 HA ALA A 2 0.975 0.880 0.657 1.00 0.00 H
12+ ATOM 11 CB ALA A 2 1.198 -1.256 0.659 1.00 0.00 C
13+ ATOM 12 HB1 ALA A 2 2.181 -1.252 0.188 1.00 0.00 H
14+ ATOM 13 HB2 ALA A 2 0.647 -2.153 0.315 1.00 0.00 H
15+ ATOM 14 HB3 ALA A 2 1.339 -1.270 1.750 1.00 0.00 H
16+ ATOM 15 C ALA A 2 0.310 0.143 -1.227 1.00 0.00 C
17+ ATOM 16 O ALA A 2 -0.745 -0.167 -1.785 1.00 0.00 O
18+ ATOM 17 N NME A 3 1.381 0.525 -1.919 1.00 0.00 N
19+ ATOM 18 H NME A 3 2.224 0.737 -1.436 1.00 0.00 H
20+ ATOM 19 C NME A 3 1.401 0.656 -3.366 1.00 0.00 C
21+ ATOM 20 H1 NME A 3 1.022 -0.271 -3.796 1.00 0.00 H
22+ ATOM 21 H2 NME A 3 0.752 1.480 -3.668 1.00 0.00 H
23+ ATOM 22 H3 NME A 3 2.406 0.882 -3.731 1.00 0.00 H
24+ TER 23 NME A 3
25+ ENDMDL
26+ CONECT 1 2
27+ CONECT 2 5 1 3 4
28+ CONECT 3 2
29+ CONECT 4 2
30+ CONECT 5 2 6 7
31+ CONECT 6 5
32+ CONECT 7 5
33+ CONECT 15 17
34+ CONECT 17 15 19 18
35+ CONECT 18 17
36+ CONECT 19 20 21 22 17
37+ CONECT 20 19
38+ CONECT 21 19
39+ CONECT 22 19
40+ END
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