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cg-schnet

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molecular-dynamics
coarse-grained
schnet
force-field
protein
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Add pre-trained CGSchNet model, protein configurations, and PDB structures

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  1. README.md +67 -0
  2. configurations/1d3z_with_ext_PUMA_configurations.pt +3 -0
  3. configurations/1enh_configurations.pt +3 -0
  4. configurations/1enh_elongated_configurations.pt +3 -0
  5. configurations/1fme_configurations.pt +3 -0
  6. configurations/1ris_configurations.pt +3 -0
  7. configurations/1yrf_configurations.pt +3 -0
  8. configurations/2a3d_configurations.pt +3 -0
  9. configurations/2a3d_elongated_configurations.pt +3 -0
  10. configurations/2ci2_configurations.pt +3 -0
  11. configurations/2jof_configurations.pt +3 -0
  12. configurations/2nuz_configurations.pt +3 -0
  13. configurations/3zbe_configurations.pt +3 -0
  14. configurations/cln_configurations.pt +3 -0
  15. configurations/ext_PUMA_alone_configurations.pt +3 -0
  16. configurations/mcl1_with_ext_PUMA_configurations.pt +3 -0
  17. configurations/opep_0015_configurations.pt +3 -0
  18. configurations/opep_0034_configurations.pt +3 -0
  19. model_and_prior.pt +3 -0
  20. structures/1enh_5beads.pdb +273 -0
  21. structures/1fme_5beads.pdb +142 -0
  22. structures/1ris_5beads.pdb +486 -0
  23. structures/1yrf_5beads.pdb +177 -0
  24. structures/2a3d_5beads.pdb +364 -0
  25. structures/2ci2_5beads.pdb +326 -0
  26. structures/2jof_5beads.pdb +101 -0
  27. structures/2nuz_5beads.pdb +277 -0
  28. structures/3zbe_5beads.pdb +359 -0
  29. structures/cln_5beads.pdb +53 -0
README.md ADDED
@@ -0,0 +1,67 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ ---
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+ license: mit
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+ language: en
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+ tags:
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+ - molecular-dynamics
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+ - coarse-grained
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+ - schnet
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+ - force-field
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+ - protein
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+ ---
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+
12
+ # CGSchNet: Coarse-Grained SchNet Model
13
+
14
+ Pre-trained coarse-grained SchNet neural network force field for molecular dynamics simulation of proteins.
15
+
16
+ ## Model
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+
18
+ - **`model_and_prior.pt`** - CGSchNet model with physical priors (harmonic bonds/angles, dihedrals, repulsion). Trained on 12 proteins with 5-bead-per-residue coarse-graining.
19
+
20
+ ## Initial Configurations
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+
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+ Batched initial configurations (batch size 32) for each protein, located in `configurations/`:
23
+
24
+ | Protein | File | Description |
25
+ |---------|------|-------------|
26
+ | 1ENH | `1enh_configurations.pt` | Engrailed homeodomain (54 residues) |
27
+ | CLN | `cln_configurations.pt` | Chignolin (10 residues) |
28
+ | 1YRF | `1yrf_configurations.pt` | WW domain (35 residues) |
29
+ | 2A3D | `2a3d_configurations.pt` | Three-helix bundle (73 residues) |
30
+ | 2JOF | `2jof_configurations.pt` | Trp-cage (20 residues) |
31
+ | 2NUZ | `2nuz_configurations.pt` | Alpha-beta protein (57 residues) |
32
+ | 2CI2 | `2ci2_configurations.pt` | CI2 (65 residues) |
33
+ | 1RIS | `1ris_configurations.pt` | Ribosomal protein (104 residues) |
34
+ | 1FME | `1fme_configurations.pt` | Villin headpiece (114 residues) |
35
+ | 3ZBE | `3zbe_configurations.pt` | Ubiquitin-like (304 residues) |
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+ | OPEP-0015 | `opep_0015_configurations.pt` | OPEP peptide |
37
+ | OPEP-0034 | `opep_0034_configurations.pt` | OPEP peptide |
38
+
39
+ Additional multi-chain configurations: `1d3z_with_ext_PUMA_configurations.pt`, `mcl1_with_ext_PUMA_configurations.pt`, `ext_PUMA_alone_configurations.pt`, `1enh_elongated_configurations.pt`, `2a3d_elongated_configurations.pt`.
40
+
41
+ ## PDB Structures
42
+
43
+ Coarse-grained PDB structures (5 beads per residue) in `structures/`.
44
+
45
+ ## Usage with FlashMD
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+
47
+ ```python
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+ from flashmd.hub import from_pretrained, download_file
49
+
50
+ # Load model
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+ model = from_pretrained("pingzhili/cg-schnet")
52
+
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+ # Download configurations
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+ configs = download_file("pingzhili/cg-schnet", "configurations/1enh_configurations.pt")
55
+ ```
56
+
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+ ## References
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+
59
+ **Transferable coarse-grained model:**
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+ > Li, P., Chen, Y., Musil, F., et al. Transferable coarse-grained models of proteins by graph neural network and automatic differentiation. *Nature Chemistry* (2025). https://doi.org/10.1038/s41557-025-01874-0
61
+
62
+ **FlashMD acceleration:**
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+ > Li, P., Li, H., Liu, Z., Lin, X., & Chen, T. FlashSchNet: Fast and Accurate Coarse-Grained Neural Network Molecular Dynamics. *arXiv:2602.13140* (2026). https://arxiv.org/abs/2602.13140
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+
65
+ ## License
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+
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+ MIT
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1
+ MODEL 0
2
+ ATOM 0 N ARG A 3 2.937 44.573 53.291 1.00 0.00 N
3
+ ATOM 1 CA ARG A 3 3.220 44.968 51.871 1.00 0.00 C
4
+ ATOM 2 CB ARG A 3 3.758 43.763 51.101 1.00 0.00 C
5
+ ATOM 3 C ARG A 3 1.922 45.475 51.229 1.00 0.00 C
6
+ ATOM 4 O ARG A 3 0.984 44.702 51.017 1.00 0.00 O
7
+ ATOM 5 N PRO A 4 1.827 46.788 50.963 1.00 0.00 N
8
+ ATOM 6 CA PRO A 4 0.601 47.326 50.349 1.00 0.00 C
9
+ ATOM 7 CB PRO A 4 0.802 48.850 50.418 1.00 0.00 C
10
+ ATOM 8 C PRO A 4 0.521 46.851 48.907 1.00 0.00 C
11
+ ATOM 9 O PRO A 4 1.564 46.660 48.252 1.00 0.00 O
12
+ ATOM 10 N ARG A 5 -0.700 46.625 48.432 1.00 0.00 N
13
+ ATOM 11 CA ARG A 5 -0.876 46.155 47.073 1.00 0.00 C
14
+ ATOM 12 CB ARG A 5 -2.343 45.814 46.800 1.00 0.00 C
15
+ ATOM 13 C ARG A 5 -0.338 47.160 46.060 1.00 0.00 C
16
+ ATOM 14 O ARG A 5 -0.283 48.353 46.333 1.00 0.00 O
17
+ ATOM 15 N THR A 6 0.200 46.649 44.963 1.00 0.00 N
18
+ ATOM 16 CA THR A 6 0.729 47.485 43.902 1.00 0.00 C
19
+ ATOM 17 CB THR A 6 1.889 46.758 43.145 1.00 0.00 C
20
+ ATOM 18 C THR A 6 -0.440 47.725 42.950 1.00 0.00 C
21
+ ATOM 19 O THR A 6 -1.527 47.179 43.151 1.00 0.00 O
22
+ ATOM 20 N ALA A 7 -0.219 48.547 41.927 1.00 0.00 N
23
+ ATOM 21 CA ALA A 7 -1.238 48.843 40.925 1.00 0.00 C
24
+ ATOM 22 CB ALA A 7 -1.115 50.256 40.474 1.00 0.00 C
25
+ ATOM 23 C ALA A 7 -1.026 47.895 39.751 1.00 0.00 C
26
+ ATOM 24 O ALA A 7 0.052 47.858 39.152 1.00 0.00 O
27
+ ATOM 25 N PHE A 8 -2.062 47.161 39.395 1.00 0.00 N
28
+ ATOM 26 CA PHE A 8 -1.937 46.198 38.317 1.00 0.00 C
29
+ ATOM 27 CB PHE A 8 -2.832 45.002 38.579 1.00 0.00 C
30
+ ATOM 28 C PHE A 8 -2.355 46.824 37.037 1.00 0.00 C
31
+ ATOM 29 O PHE A 8 -3.233 47.676 37.038 1.00 0.00 O
32
+ ATOM 30 N SER A 9 -1.733 46.417 35.937 1.00 0.00 N
33
+ ATOM 31 CA SER A 9 -2.129 46.942 34.656 1.00 0.00 C
34
+ ATOM 32 CB SER A 9 -0.997 46.778 33.658 1.00 0.00 C
35
+ ATOM 33 C SER A 9 -3.399 46.213 34.162 1.00 0.00 C
36
+ ATOM 34 O SER A 9 -3.808 45.181 34.703 1.00 0.00 O
37
+ ATOM 35 N SER A 10 -4.055 46.806 33.178 1.00 0.00 N
38
+ ATOM 36 CA SER A 10 -5.237 46.236 32.549 1.00 0.00 C
39
+ ATOM 37 CB SER A 10 -5.638 47.075 31.338 1.00 0.00 C
40
+ ATOM 38 C SER A 10 -4.910 44.868 32.040 1.00 0.00 C
41
+ ATOM 39 O SER A 10 -5.706 43.979 32.143 1.00 0.00 O
42
+ ATOM 40 N GLU A 11 -3.780 44.737 31.378 1.00 0.00 N
43
+ ATOM 41 CA GLU A 11 -3.387 43.458 30.860 1.00 0.00 C
44
+ ATOM 42 CB GLU A 11 -2.223 43.644 29.931 1.00 0.00 C
45
+ ATOM 43 C GLU A 11 -3.063 42.458 31.977 1.00 0.00 C
46
+ ATOM 44 O GLU A 11 -3.379 41.268 31.868 1.00 0.00 O
47
+ ATOM 45 N GLN A 12 -2.438 42.922 33.055 1.00 0.00 N
48
+ ATOM 46 CA GLN A 12 -2.141 42.023 34.153 1.00 0.00 C
49
+ ATOM 47 CB GLN A 12 -1.247 42.675 35.179 1.00 0.00 C
50
+ ATOM 48 C GLN A 12 -3.449 41.558 34.788 1.00 0.00 C
51
+ ATOM 49 O GLN A 12 -3.614 40.369 35.051 1.00 0.00 O
52
+ ATOM 50 N LEU A 13 -4.399 42.461 34.985 1.00 0.00 N
53
+ ATOM 51 CA LEU A 13 -5.653 42.055 35.596 1.00 0.00 C
54
+ ATOM 52 CB LEU A 13 -6.532 43.264 35.900 1.00 0.00 C
55
+ ATOM 53 C LEU A 13 -6.419 41.059 34.725 1.00 0.00 C
56
+ ATOM 54 O LEU A 13 -7.033 40.121 35.241 1.00 0.00 O
57
+ ATOM 55 N ALA A 14 -6.356 41.256 33.408 1.00 0.00 N
58
+ ATOM 56 CA ALA A 14 -7.063 40.389 32.480 1.00 0.00 C
59
+ ATOM 57 CB ALA A 14 -6.931 40.913 31.061 1.00 0.00 C
60
+ ATOM 58 C ALA A 14 -6.494 38.986 32.578 1.00 0.00 C
61
+ ATOM 59 O ALA A 14 -7.220 37.995 32.524 1.00 0.00 O
62
+ ATOM 60 N ARG A 15 -5.180 38.901 32.691 1.00 0.00 N
63
+ ATOM 61 CA ARG A 15 -4.554 37.610 32.777 1.00 0.00 C
64
+ ATOM 62 CB ARG A 15 -3.065 37.761 32.625 1.00 0.00 C
65
+ ATOM 63 C ARG A 15 -4.877 36.916 34.095 1.00 0.00 C
66
+ ATOM 64 O ARG A 15 -5.133 35.704 34.125 1.00 0.00 O
67
+ ATOM 65 N LEU A 16 -4.895 37.709 35.175 1.00 0.00 N
68
+ ATOM 66 CA LEU A 16 -5.169 37.245 36.531 1.00 0.00 C
69
+ ATOM 67 CB LEU A 16 -4.950 38.373 37.557 1.00 0.00 C
70
+ ATOM 68 C LEU A 16 -6.579 36.725 36.651 1.00 0.00 C
71
+ ATOM 69 O LEU A 16 -6.805 35.702 37.294 1.00 0.00 O
72
+ ATOM 70 N LYS A 17 -7.534 37.420 36.045 1.00 0.00 N
73
+ ATOM 71 CA LYS A 17 -8.922 36.990 36.106 1.00 0.00 C
74
+ ATOM 72 CB LYS A 17 -9.838 38.101 35.604 1.00 0.00 C
75
+ ATOM 73 C LYS A 17 -9.175 35.698 35.338 1.00 0.00 C
76
+ ATOM 74 O LYS A 17 -9.997 34.873 35.720 1.00 0.00 O
77
+ ATOM 75 N ARG A 18 -8.443 35.537 34.255 1.00 0.00 N
78
+ ATOM 76 CA ARG A 18 -8.535 34.400 33.405 1.00 0.00 C
79
+ ATOM 77 CB ARG A 18 -7.725 34.738 32.191 1.00 0.00 C
80
+ ATOM 78 C ARG A 18 -7.962 33.189 34.147 1.00 0.00 C
81
+ ATOM 79 O ARG A 18 -8.541 32.114 34.126 1.00 0.00 O
82
+ ATOM 80 N GLU A 19 -6.837 33.380 34.832 1.00 0.00 N
83
+ ATOM 81 CA GLU A 19 -6.178 32.330 35.601 1.00 0.00 C
84
+ ATOM 82 CB GLU A 19 -4.851 32.837 36.157 1.00 0.00 C
85
+ ATOM 83 C GLU A 19 -7.053 31.907 36.772 1.00 0.00 C
86
+ ATOM 84 O GLU A 19 -7.148 30.733 37.091 1.00 0.00 O
87
+ ATOM 85 N PHE A 20 -7.672 32.886 37.413 1.00 0.00 N
88
+ ATOM 86 CA PHE A 20 -8.547 32.671 38.559 1.00 0.00 C
89
+ ATOM 87 CB PHE A 20 -9.039 34.023 39.102 1.00 0.00 C
90
+ ATOM 88 C PHE A 20 -9.730 31.796 38.154 1.00 0.00 C
91
+ ATOM 89 O PHE A 20 -10.144 30.905 38.902 1.00 0.00 O
92
+ ATOM 90 N ASN A 21 -10.239 32.056 36.954 1.00 0.00 N
93
+ ATOM 91 CA ASN A 21 -11.344 31.338 36.361 1.00 0.00 C
94
+ ATOM 92 CB ASN A 21 -11.735 32.039 35.051 1.00 0.00 C
95
+ ATOM 93 C ASN A 21 -10.965 29.883 36.103 1.00 0.00 C
96
+ ATOM 94 O ASN A 21 -11.813 28.999 36.063 1.00 0.00 O
97
+ ATOM 95 N GLU A 22 -9.694 29.637 35.867 1.00 0.00 N
98
+ ATOM 96 CA GLU A 22 -9.249 28.290 35.616 1.00 0.00 C
99
+ ATOM 97 CB GLU A 22 -7.926 28.279 34.852 1.00 0.00 C
100
+ ATOM 98 C GLU A 22 -9.096 27.506 36.906 1.00 0.00 C
101
+ ATOM 99 O GLU A 22 -9.514 26.339 36.997 1.00 0.00 O
102
+ ATOM 100 N ASN A 23 -8.460 28.130 37.893 1.00 0.00 N
103
+ ATOM 101 CA ASN A 23 -8.217 27.490 39.178 1.00 0.00 C
104
+ ATOM 102 CB ASN A 23 -6.955 26.636 39.080 1.00 0.00 C
105
+ ATOM 103 C ASN A 23 -8.042 28.618 40.171 1.00 0.00 C
106
+ ATOM 104 O ASN A 23 -7.168 29.478 40.005 1.00 0.00 O
107
+ ATOM 105 N ARG A 24 -8.880 28.657 41.190 1.00 0.00 N
108
+ ATOM 106 CA ARG A 24 -8.776 29.764 42.097 1.00 0.00 C
109
+ ATOM 107 CB ARG A 24 -10.135 30.138 42.578 1.00 0.00 C
110
+ ATOM 108 C ARG A 24 -7.789 29.623 43.246 1.00 0.00 C
111
+ ATOM 109 O ARG A 24 -7.626 30.524 44.043 1.00 0.00 O
112
+ ATOM 110 N TYR A 25 -7.138 28.474 43.324 1.00 0.00 N
113
+ ATOM 111 CA TYR A 25 -6.127 28.218 44.329 1.00 0.00 C
114
+ ATOM 112 CB TYR A 25 -6.407 26.931 45.104 1.00 0.00 C
115
+ ATOM 113 C TYR A 25 -4.848 28.139 43.525 1.00 0.00 C
116
+ ATOM 114 O TYR A 25 -4.774 27.543 42.462 1.00 0.00 O
117
+ ATOM 115 N LEU A 26 -3.833 28.757 44.070 1.00 0.00 N
118
+ ATOM 116 CA LEU A 26 -2.544 28.888 43.445 1.00 0.00 C
119
+ ATOM 117 CB LEU A 26 -2.210 30.368 43.602 1.00 0.00 C
120
+ ATOM 118 C LEU A 26 -1.394 28.042 44.027 1.00 0.00 C
121
+ ATOM 119 O LEU A 26 -0.925 28.305 45.134 1.00 0.00 O
122
+ ATOM 120 N THR A 27 -0.902 27.050 43.306 1.00 0.00 N
123
+ ATOM 121 CA THR A 27 0.233 26.327 43.835 1.00 0.00 C
124
+ ATOM 122 CB THR A 27 0.524 25.092 43.014 1.00 0.00 C
125
+ ATOM 123 C THR A 27 1.457 27.273 43.799 1.00 0.00 C
126
+ ATOM 124 O THR A 27 1.474 28.269 43.058 1.00 0.00 O
127
+ ATOM 125 N GLU A 28 2.455 26.992 44.632 1.00 0.00 N
128
+ ATOM 126 CA GLU A 28 3.672 27.787 44.682 1.00 0.00 C
129
+ ATOM 127 CB GLU A 28 4.674 27.181 45.652 1.00 0.00 C
130
+ ATOM 128 C GLU A 28 4.315 27.859 43.321 1.00 0.00 C
131
+ ATOM 129 O GLU A 28 4.764 28.908 42.902 1.00 0.00 O
132
+ ATOM 130 N ARG A 29 4.375 26.740 42.629 1.00 0.00 N
133
+ ATOM 131 CA ARG A 29 4.979 26.732 41.314 1.00 0.00 C
134
+ ATOM 132 CB ARG A 29 5.112 25.302 40.793 1.00 0.00 C
135
+ ATOM 133 C ARG A 29 4.238 27.599 40.292 1.00 0.00 C
136
+ ATOM 134 O ARG A 29 4.867 28.250 39.465 1.00 0.00 O
137
+ ATOM 135 N ARG A 30 2.909 27.562 40.292 1.00 0.00 N
138
+ ATOM 136 CA ARG A 30 2.151 28.370 39.337 1.00 0.00 C
139
+ ATOM 137 CB ARG A 30 0.651 27.980 39.308 1.00 0.00 C
140
+ ATOM 138 C ARG A 30 2.318 29.851 39.676 1.00 0.00 C
141
+ ATOM 139 O ARG A 30 2.405 30.697 38.784 1.00 0.00 O
142
+ ATOM 140 N ARG A 31 2.374 30.159 40.968 1.00 0.00 N
143
+ ATOM 141 CA ARG A 31 2.532 31.528 41.413 1.00 0.00 C
144
+ ATOM 142 CB ARG A 31 2.454 31.593 42.936 1.00 0.00 C
145
+ ATOM 143 C ARG A 31 3.877 32.038 40.927 1.00 0.00 C
146
+ ATOM 144 O ARG A 31 4.004 33.198 40.567 1.00 0.00 O
147
+ ATOM 145 N GLN A 32 4.879 31.162 40.906 1.00 0.00 N
148
+ ATOM 146 CA GLN A 32 6.211 31.536 40.475 1.00 0.00 C
149
+ ATOM 147 CB GLN A 32 7.235 30.465 40.871 1.00 0.00 C
150
+ ATOM 148 C GLN A 32 6.205 31.730 38.959 1.00 0.00 C
151
+ ATOM 149 O GLN A 32 6.816 32.661 38.448 1.00 0.00 O
152
+ ATOM 150 N GLN A 33 5.516 30.869 38.232 1.00 0.00 N
153
+ ATOM 151 CA GLN A 33 5.471 31.020 36.797 1.00 0.00 C
154
+ ATOM 152 CB GLN A 33 4.838 29.808 36.121 1.00 0.00 C
155
+ ATOM 153 C GLN A 33 4.677 32.252 36.431 1.00 0.00 C
156
+ ATOM 154 O GLN A 33 4.980 32.893 35.430 1.00 0.00 O
157
+ ATOM 155 N LEU A 34 3.648 32.572 37.217 1.00 0.00 N
158
+ ATOM 156 CA LEU A 34 2.821 33.735 36.921 1.00 0.00 C
159
+ ATOM 157 CB LEU A 34 1.486 33.690 37.682 1.00 0.00 C
160
+ ATOM 158 C LEU A 34 3.601 35.014 37.237 1.00 0.00 C
161
+ ATOM 159 O LEU A 34 3.468 36.031 36.561 1.00 0.00 O
162
+ ATOM 160 N SER A 35 4.448 34.946 38.249 1.00 0.00 N
163
+ ATOM 161 CA SER A 35 5.272 36.084 38.611 1.00 0.00 C
164
+ ATOM 162 CB SER A 35 6.058 35.751 39.879 1.00 0.00 C
165
+ ATOM 163 C SER A 35 6.207 36.398 37.431 1.00 0.00 C
166
+ ATOM 164 O SER A 35 6.291 37.549 37.008 1.00 0.00 O
167
+ ATOM 165 N SER A 36 6.884 35.375 36.893 1.00 0.00 N
168
+ ATOM 166 CA SER A 36 7.790 35.512 35.739 1.00 0.00 C
169
+ ATOM 167 CB SER A 36 8.378 34.167 35.321 1.00 0.00 C
170
+ ATOM 168 C SER A 36 7.115 36.085 34.518 1.00 0.00 C
171
+ ATOM 169 O SER A 36 7.654 36.975 33.857 1.00 0.00 O
172
+ ATOM 170 N GLU A 37 5.982 35.498 34.171 1.00 0.00 N
173
+ ATOM 171 CA GLU A 37 5.232 35.943 33.030 1.00 0.00 C
174
+ ATOM 172 CB GLU A 37 4.118 34.991 32.748 1.00 0.00 C
175
+ ATOM 173 C GLU A 37 4.613 37.316 33.144 1.00 0.00 C
176
+ ATOM 174 O GLU A 37 4.548 38.022 32.153 1.00 0.00 O
177
+ ATOM 175 N LEU A 38 4.130 37.702 34.319 1.00 0.00 N
178
+ ATOM 176 CA LEU A 38 3.463 38.990 34.431 1.00 0.00 C
179
+ ATOM 177 CB LEU A 38 2.229 38.879 35.332 1.00 0.00 C
180
+ ATOM 178 C LEU A 38 4.317 40.134 34.910 1.00 0.00 C
181
+ ATOM 179 O LEU A 38 3.906 41.277 34.790 1.00 0.00 O
182
+ ATOM 180 N GLY A 39 5.478 39.842 35.478 1.00 0.00 N
183
+ ATOM 181 CA GLY A 39 6.343 40.900 35.994 1.00 0.00 C
184
+ ATOM 182 C GLY A 39 5.897 41.429 37.359 1.00 0.00 C
185
+ ATOM 183 O GLY A 39 6.219 42.547 37.738 1.00 0.00 O
186
+ ATOM 184 N LEU A 40 5.171 40.611 38.107 1.00 0.00 N
187
+ ATOM 185 CA LEU A 40 4.659 41.001 39.412 1.00 0.00 C
188
+ ATOM 186 CB LEU A 40 3.172 40.686 39.506 1.00 0.00 C
189
+ ATOM 187 C LEU A 40 5.339 40.160 40.470 1.00 0.00 C
190
+ ATOM 188 O LEU A 40 5.677 39.018 40.212 1.00 0.00 O
191
+ ATOM 189 N ASN A 41 5.467 40.701 41.677 1.00 0.00 N
192
+ ATOM 190 CA ASN A 41 6.076 39.982 42.795 1.00 0.00 C
193
+ ATOM 191 CB ASN A 41 6.196 40.909 43.987 1.00 0.00 C
194
+ ATOM 192 C ASN A 41 5.116 38.848 43.172 1.00 0.00 C
195
+ ATOM 193 O ASN A 41 3.920 39.067 43.227 1.00 0.00 O
196
+ ATOM 194 N GLU A 42 5.639 37.659 43.479 1.00 0.00 N
197
+ ATOM 195 CA GLU A 42 4.803 36.516 43.850 1.00 0.00 C
198
+ ATOM 196 CB GLU A 42 5.633 35.342 44.315 1.00 0.00 C
199
+ ATOM 197 C GLU A 42 3.880 36.882 44.957 1.00 0.00 C
200
+ ATOM 198 O GLU A 42 2.757 36.409 44.993 1.00 0.00 O
201
+ ATOM 199 N ALA A 43 4.338 37.750 45.856 1.00 0.00 N
202
+ ATOM 200 CA ALA A 43 3.512 38.178 46.982 1.00 0.00 C
203
+ ATOM 201 CB ALA A 43 4.320 38.966 47.973 1.00 0.00 C
204
+ ATOM 202 C ALA A 43 2.311 38.981 46.555 1.00 0.00 C
205
+ ATOM 203 O ALA A 43 1.276 38.919 47.207 1.00 0.00 O
206
+ ATOM 204 N GLN A 44 2.429 39.732 45.460 1.00 0.00 N
207
+ ATOM 205 CA GLN A 44 1.290 40.510 44.996 1.00 0.00 C
208
+ ATOM 206 CB GLN A 44 1.754 41.533 43.980 1.00 0.00 C
209
+ ATOM 207 C GLN A 44 0.198 39.641 44.386 1.00 0.00 C
210
+ ATOM 208 O GLN A 44 -0.985 39.968 44.449 1.00 0.00 O
211
+ ATOM 209 N ILE A 45 0.616 38.534 43.789 1.00 0.00 N
212
+ ATOM 210 CA ILE A 45 -0.291 37.599 43.135 1.00 0.00 C
213
+ ATOM 211 CB ILE A 45 0.491 36.636 42.190 1.00 0.00 C
214
+ ATOM 212 C ILE A 45 -1.064 36.834 44.197 1.00 0.00 C
215
+ ATOM 213 O ILE A 45 -2.288 36.668 44.094 1.00 0.00 O
216
+ ATOM 214 N LYS A 46 -0.341 36.396 45.224 1.00 0.00 N
217
+ ATOM 215 CA LYS A 46 -0.930 35.668 46.346 1.00 0.00 C
218
+ ATOM 216 CB LYS A 46 0.156 35.295 47.353 1.00 0.00 C
219
+ ATOM 217 C LYS A 46 -2.050 36.476 47.017 1.00 0.00 C
220
+ ATOM 218 O LYS A 46 -3.144 35.953 47.254 1.00 0.00 O
221
+ ATOM 219 N ILE A 47 -1.769 37.741 47.327 1.00 0.00 N
222
+ ATOM 220 CA ILE A 47 -2.741 38.634 47.933 1.00 0.00 C
223
+ ATOM 221 CB ILE A 47 -2.096 39.994 48.274 1.00 0.00 C
224
+ ATOM 222 C ILE A 47 -3.903 38.868 46.972 1.00 0.00 C
225
+ ATOM 223 O ILE A 47 -5.057 38.878 47.386 1.00 0.00 O
226
+ ATOM 224 N TRP A 48 -3.616 39.076 45.689 1.00 0.00 N
227
+ ATOM 225 CA TRP A 48 -4.694 39.278 44.741 1.00 0.00 C
228
+ ATOM 226 CB TRP A 48 -4.144 39.542 43.351 1.00 0.00 C
229
+ ATOM 227 C TRP A 48 -5.610 38.042 44.749 1.00 0.00 C
230
+ ATOM 228 O TRP A 48 -6.829 38.166 44.802 1.00 0.00 O
231
+ ATOM 229 N PHE A 49 -5.029 36.849 44.720 1.00 0.00 N
232
+ ATOM 230 CA PHE A 49 -5.827 35.610 44.759 1.00 0.00 C
233
+ ATOM 231 CB PHE A 49 -4.938 34.353 44.538 1.00 0.00 C
234
+ ATOM 232 C PHE A 49 -6.667 35.494 46.068 1.00 0.00 C
235
+ ATOM 233 O PHE A 49 -7.889 35.274 46.015 1.00 0.00 O
236
+ ATOM 234 N GLN A 50 -6.049 35.739 47.224 1.00 0.00 N
237
+ ATOM 235 CA GLN A 50 -6.770 35.646 48.489 1.00 0.00 C
238
+ ATOM 236 CB GLN A 50 -5.853 35.867 49.677 1.00 0.00 C
239
+ ATOM 237 C GLN A 50 -7.915 36.613 48.573 1.00 0.00 C
240
+ ATOM 238 O GLN A 50 -8.974 36.244 49.046 1.00 0.00 O
241
+ ATOM 239 N ASN A 51 -7.724 37.841 48.095 1.00 0.00 N
242
+ ATOM 240 CA ASN A 51 -8.788 38.854 48.153 1.00 0.00 C
243
+ ATOM 241 CB ASN A 51 -8.255 40.263 47.838 1.00 0.00 C
244
+ ATOM 242 C ASN A 51 -9.894 38.531 47.181 1.00 0.00 C
245
+ ATOM 243 O ASN A 51 -11.065 38.798 47.423 1.00 0.00 O
246
+ ATOM 244 N LYS A 52 -9.513 37.989 46.045 1.00 0.00 N
247
+ ATOM 245 CA LYS A 52 -10.473 37.648 45.026 1.00 0.00 C
248
+ ATOM 246 CB LYS A 52 -9.727 37.209 43.773 1.00 0.00 C
249
+ ATOM 247 C LYS A 52 -11.410 36.544 45.513 1.00 0.00 C
250
+ ATOM 248 O LYS A 52 -12.587 36.541 45.168 1.00 0.00 O
251
+ ATOM 249 N ARG A 53 -10.874 35.595 46.281 1.00 0.00 N
252
+ ATOM 250 CA ARG A 53 -11.664 34.481 46.814 1.00 0.00 C
253
+ ATOM 251 CB ARG A 53 -10.770 33.381 47.369 1.00 0.00 C
254
+ ATOM 252 C ARG A 53 -12.572 34.961 47.923 1.00 0.00 C
255
+ ATOM 253 O ARG A 53 -13.628 34.373 48.166 1.00 0.00 O
256
+ ATOM 254 N ALA A 54 -12.117 35.992 48.636 1.00 0.00 N
257
+ ATOM 255 CA ALA A 54 -12.901 36.573 49.724 1.00 0.00 C
258
+ ATOM 256 CB ALA A 54 -12.035 37.476 50.600 1.00 0.00 C
259
+ ATOM 257 C ALA A 54 -14.088 37.342 49.148 1.00 0.00 C
260
+ ATOM 258 O ALA A 54 -15.183 37.252 49.669 1.00 0.00 O
261
+ ATOM 259 N LYS A 55 -13.864 38.109 48.086 1.00 0.00 N
262
+ ATOM 260 CA LYS A 55 -14.935 38.858 47.444 1.00 0.00 C
263
+ ATOM 261 CB LYS A 55 -14.383 39.691 46.293 1.00 0.00 C
264
+ ATOM 262 C LYS A 55 -15.957 37.888 46.881 1.00 0.00 C
265
+ ATOM 263 O LYS A 55 -17.151 38.146 46.895 1.00 0.00 O
266
+ ATOM 264 N ILE A 56 -15.449 36.806 46.312 1.00 0.00 N
267
+ ATOM 265 CA ILE A 56 -16.251 35.744 45.710 1.00 0.00 C
268
+ ATOM 266 CB ILE A 56 -15.293 34.740 44.955 1.00 0.00 C
269
+ ATOM 267 C ILE A 56 -17.109 35.023 46.768 1.00 0.00 C
270
+ ATOM 268 O ILE A 56 -18.354 35.185 46.738 1.00 0.00 O
271
+ TER 269 ILE A 56
272
+ ENDMDL
273
+ END
structures/1fme_5beads.pdb ADDED
@@ -0,0 +1,142 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ MODEL 0
2
+ ATOM 0 N GLU A 1 -14.196 7.703 4.296 1.00 0.00 N
3
+ ATOM 1 CA GLU A 1 -13.829 6.504 3.488 1.00 0.00 C
4
+ ATOM 2 CB GLU A 1 -15.154 5.986 2.925 1.00 0.00 C
5
+ ATOM 3 C GLU A 1 -12.882 6.904 2.352 1.00 0.00 C
6
+ ATOM 4 O GLU A 1 -13.313 7.259 1.271 1.00 0.00 O
7
+ ATOM 5 N GLN A 2 -11.596 6.846 2.593 1.00 0.00 N
8
+ ATOM 6 CA GLN A 2 -10.613 7.221 1.531 1.00 0.00 C
9
+ ATOM 7 CB GLN A 2 -9.270 7.360 2.255 1.00 0.00 C
10
+ ATOM 8 C GLN A 2 -10.538 6.120 0.469 1.00 0.00 C
11
+ ATOM 9 O GLN A 2 -11.281 5.159 0.507 1.00 0.00 O
12
+ ATOM 10 N TYR A 3 -9.646 6.258 -0.481 1.00 0.00 N
13
+ ATOM 11 CA TYR A 3 -9.515 5.226 -1.559 1.00 0.00 C
14
+ ATOM 12 CB TYR A 3 -8.310 5.647 -2.405 1.00 0.00 C
15
+ ATOM 13 C TYR A 3 -9.305 3.829 -0.971 1.00 0.00 C
16
+ ATOM 14 O TYR A 3 -8.779 3.671 0.115 1.00 0.00 O
17
+ ATOM 15 N THR A 4 -9.719 2.816 -1.690 1.00 0.00 N
18
+ ATOM 16 CA THR A 4 -9.557 1.419 -1.196 1.00 0.00 C
19
+ ATOM 17 CB THR A 4 -10.946 0.787 -1.336 1.00 0.00 C
20
+ ATOM 18 C THR A 4 -8.535 0.673 -2.059 1.00 0.00 C
21
+ ATOM 19 O THR A 4 -8.743 -0.461 -2.445 1.00 0.00 O
22
+ ATOM 20 N ALA A 5 -7.431 1.309 -2.365 1.00 0.00 N
23
+ ATOM 21 CA ALA A 5 -6.376 0.662 -3.210 1.00 0.00 C
24
+ ATOM 22 CB ALA A 5 -5.150 1.563 -3.080 1.00 0.00 C
25
+ ATOM 23 C ALA A 5 -6.018 -0.724 -2.683 1.00 0.00 C
26
+ ATOM 24 O ALA A 5 -5.727 -0.879 -1.525 1.00 0.00 O
27
+ ATOM 25 N LYS A 6 -6.002 -1.715 -3.525 1.00 0.00 N
28
+ ATOM 26 CA LYS A 6 -5.621 -3.082 -3.057 1.00 0.00 C
29
+ ATOM 27 CB LYS A 6 -6.793 -4.004 -3.395 1.00 0.00 C
30
+ ATOM 28 C LYS A 6 -4.348 -3.527 -3.770 1.00 0.00 C
31
+ ATOM 29 O LYS A 6 -4.149 -3.252 -4.939 1.00 0.00 O
32
+ ATOM 30 N TYR A 7 -3.479 -4.197 -3.064 1.00 0.00 N
33
+ ATOM 31 CA TYR A 7 -2.198 -4.652 -3.679 1.00 0.00 C
34
+ ATOM 32 CB TYR A 7 -1.117 -3.858 -2.948 1.00 0.00 C
35
+ ATOM 33 C TYR A 7 -2.015 -6.158 -3.475 1.00 0.00 C
36
+ ATOM 34 O TYR A 7 -2.084 -6.931 -4.412 1.00 0.00 O
37
+ ATOM 35 N LYS A 8 -1.794 -6.578 -2.256 1.00 0.00 N
38
+ ATOM 36 CA LYS A 8 -1.617 -8.034 -1.979 1.00 0.00 C
39
+ ATOM 37 CB LYS A 8 -0.240 -8.151 -1.323 1.00 0.00 C
40
+ ATOM 38 C LYS A 8 -2.715 -8.510 -1.023 1.00 0.00 C
41
+ ATOM 39 O LYS A 8 -2.443 -8.993 0.061 1.00 0.00 O
42
+ ATOM 40 N GLY A 9 -3.954 -8.363 -1.417 1.00 0.00 N
43
+ ATOM 41 CA GLY A 9 -5.080 -8.789 -0.537 1.00 0.00 C
44
+ ATOM 42 C GLY A 9 -5.175 -7.832 0.651 1.00 0.00 C
45
+ ATOM 43 O GLY A 9 -5.590 -8.208 1.731 1.00 0.00 O
46
+ ATOM 44 N ARG A 10 -4.785 -6.595 0.458 1.00 0.00 N
47
+ ATOM 45 CA ARG A 10 -4.842 -5.602 1.571 1.00 0.00 C
48
+ ATOM 46 CB ARG A 10 -3.424 -5.563 2.144 1.00 0.00 C
49
+ ATOM 47 C ARG A 10 -5.215 -4.223 1.028 1.00 0.00 C
50
+ ATOM 48 O ARG A 10 -4.428 -3.589 0.348 1.00 0.00 O
51
+ ATOM 49 N THR A 11 -6.396 -3.744 1.330 1.00 0.00 N
52
+ ATOM 50 CA THR A 11 -6.793 -2.394 0.833 1.00 0.00 C
53
+ ATOM 51 CB THR A 11 -8.276 -2.240 1.172 1.00 0.00 C
54
+ ATOM 52 C THR A 11 -5.968 -1.326 1.561 1.00 0.00 C
55
+ ATOM 53 O THR A 11 -5.609 -1.495 2.712 1.00 0.00 O
56
+ ATOM 54 N PHE A 12 -5.665 -0.234 0.908 1.00 0.00 N
57
+ ATOM 55 CA PHE A 12 -4.864 0.839 1.567 1.00 0.00 C
58
+ ATOM 56 CB PHE A 12 -3.688 1.110 0.620 1.00 0.00 C
59
+ ATOM 57 C PHE A 12 -5.720 2.089 1.765 1.00 0.00 C
60
+ ATOM 58 O PHE A 12 -6.276 2.630 0.829 1.00 0.00 O
61
+ ATOM 59 N ARG A 13 -5.832 2.540 2.986 1.00 0.00 N
62
+ ATOM 60 CA ARG A 13 -6.647 3.755 3.277 1.00 0.00 C
63
+ ATOM 61 CB ARG A 13 -7.697 3.294 4.289 1.00 0.00 C
64
+ ATOM 62 C ARG A 13 -5.750 4.832 3.885 1.00 0.00 C
65
+ ATOM 63 O ARG A 13 -6.164 5.593 4.739 1.00 0.00 O
66
+ ATOM 64 N ASN A 14 -4.519 4.889 3.449 1.00 0.00 N
67
+ ATOM 65 CA ASN A 14 -3.569 5.905 3.992 1.00 0.00 C
68
+ ATOM 66 CB ASN A 14 -3.188 5.383 5.378 1.00 0.00 C
69
+ ATOM 67 C ASN A 14 -2.334 5.998 3.094 1.00 0.00 C
70
+ ATOM 68 O ASN A 14 -1.704 5.003 2.785 1.00 0.00 O
71
+ ATOM 69 N GLU A 15 -1.991 7.185 2.667 1.00 0.00 N
72
+ ATOM 70 CA GLU A 15 -0.800 7.354 1.778 1.00 0.00 C
73
+ ATOM 71 CB GLU A 15 -0.721 8.855 1.489 1.00 0.00 C
74
+ ATOM 72 C GLU A 15 0.469 6.873 2.490 1.00 0.00 C
75
+ ATOM 73 O GLU A 15 1.371 6.340 1.872 1.00 0.00 O
76
+ ATOM 74 N LYS A 16 0.545 7.060 3.784 1.00 0.00 N
77
+ ATOM 75 CA LYS A 16 1.753 6.619 4.545 1.00 0.00 C
78
+ ATOM 76 CB LYS A 16 1.451 6.940 6.009 1.00 0.00 C
79
+ ATOM 77 C LYS A 16 1.980 5.119 4.366 1.00 0.00 C
80
+ ATOM 78 O LYS A 16 3.094 4.656 4.212 1.00 0.00 O
81
+ ATOM 79 N GLU A 17 0.920 4.370 4.386 1.00 0.00 N
82
+ ATOM 80 CA GLU A 17 1.030 2.887 4.218 1.00 0.00 C
83
+ ATOM 81 CB GLU A 17 -0.372 2.347 4.510 1.00 0.00 C
84
+ ATOM 82 C GLU A 17 1.435 2.550 2.782 1.00 0.00 C
85
+ ATOM 83 O GLU A 17 2.432 1.897 2.540 1.00 0.00 O
86
+ ATOM 84 N LEU A 18 0.656 2.993 1.830 1.00 0.00 N
87
+ ATOM 85 CA LEU A 18 0.963 2.712 0.391 1.00 0.00 C
88
+ ATOM 86 CB LEU A 18 -0.099 3.496 -0.395 1.00 0.00 C
89
+ ATOM 87 C LEU A 18 2.375 3.187 0.038 1.00 0.00 C
90
+ ATOM 88 O LEU A 18 3.118 2.493 -0.632 1.00 0.00 O
91
+ ATOM 89 N ARG A 19 2.756 4.351 0.493 1.00 0.00 N
92
+ ATOM 90 CA ARG A 19 4.129 4.857 0.190 1.00 0.00 C
93
+ ATOM 91 CB ARG A 19 4.206 6.239 0.841 1.00 0.00 C
94
+ ATOM 92 C ARG A 19 5.183 3.920 0.792 1.00 0.00 C
95
+ ATOM 93 O ARG A 19 6.327 3.919 0.379 1.00 0.00 O
96
+ ATOM 94 N ASP A 20 4.807 3.123 1.766 1.00 0.00 N
97
+ ATOM 95 CA ASP A 20 5.785 2.188 2.395 1.00 0.00 C
98
+ ATOM 96 CB ASP A 20 5.466 2.230 3.890 1.00 0.00 C
99
+ ATOM 97 C ASP A 20 5.599 0.769 1.846 1.00 0.00 C
100
+ ATOM 98 O ASP A 20 6.535 -0.006 1.791 1.00 0.00 O
101
+ ATOM 99 N PHE A 21 4.399 0.422 1.443 1.00 0.00 N
102
+ ATOM 100 CA PHE A 21 4.159 -0.951 0.898 1.00 0.00 C
103
+ ATOM 101 CB PHE A 21 2.644 -1.080 0.725 1.00 0.00 C
104
+ ATOM 102 C PHE A 21 4.866 -1.132 -0.452 1.00 0.00 C
105
+ ATOM 103 O PHE A 21 5.866 -1.815 -0.552 1.00 0.00 O
106
+ ATOM 104 N ILE A 22 4.332 -0.536 -1.495 1.00 0.00 N
107
+ ATOM 105 CA ILE A 22 4.937 -0.668 -2.861 1.00 0.00 C
108
+ ATOM 106 CB ILE A 22 4.230 0.391 -3.714 1.00 0.00 C
109
+ ATOM 107 C ILE A 22 6.448 -0.403 -2.800 1.00 0.00 C
110
+ ATOM 108 O ILE A 22 7.225 -0.980 -3.537 1.00 0.00 O
111
+ ATOM 109 N GLU A 23 6.851 0.463 -1.911 1.00 0.00 N
112
+ ATOM 110 CA GLU A 23 8.304 0.776 -1.772 1.00 0.00 C
113
+ ATOM 111 CB GLU A 23 8.372 1.958 -0.802 1.00 0.00 C
114
+ ATOM 112 C GLU A 23 9.036 -0.436 -1.197 1.00 0.00 C
115
+ ATOM 113 O GLU A 23 10.184 -0.688 -1.516 1.00 0.00 O
116
+ ATOM 114 N LYS A 24 8.373 -1.193 -0.361 1.00 0.00 N
117
+ ATOM 115 CA LYS A 24 9.014 -2.402 0.232 1.00 0.00 C
118
+ ATOM 116 CB LYS A 24 8.309 -2.613 1.573 1.00 0.00 C
119
+ ATOM 117 C LYS A 24 8.798 -3.604 -0.687 1.00 0.00 C
120
+ ATOM 118 O LYS A 24 9.740 -4.241 -1.117 1.00 0.00 O
121
+ ATOM 119 N PHE A 25 7.561 -3.914 -0.997 1.00 0.00 N
122
+ ATOM 120 CA PHE A 25 7.279 -5.066 -1.891 1.00 0.00 C
123
+ ATOM 121 CB PHE A 25 5.858 -5.511 -1.541 1.00 0.00 C
124
+ ATOM 122 C PHE A 25 7.367 -4.635 -3.359 1.00 0.00 C
125
+ ATOM 123 O PHE A 25 6.438 -4.814 -4.124 1.00 0.00 O
126
+ ATOM 124 N LYS A 26 8.480 -4.069 -3.753 1.00 0.00 N
127
+ ATOM 125 CA LYS A 26 8.638 -3.621 -5.173 1.00 0.00 C
128
+ ATOM 126 CB LYS A 26 10.009 -2.945 -5.233 1.00 0.00 C
129
+ ATOM 127 C LYS A 26 8.589 -4.815 -6.130 1.00 0.00 C
130
+ ATOM 128 O LYS A 26 8.310 -4.667 -7.304 1.00 0.00 O
131
+ ATOM 129 N GLY A 27 8.860 -5.990 -5.635 1.00 0.00 N
132
+ ATOM 130 CA GLY A 27 8.835 -7.203 -6.505 1.00 0.00 C
133
+ ATOM 131 C GLY A 27 10.264 -7.573 -6.904 1.00 0.00 C
134
+ ATOM 132 O GLY A 27 10.838 -6.984 -7.802 1.00 0.00 O
135
+ ATOM 133 N ARG A 28 10.840 -8.543 -6.242 1.00 0.00 N
136
+ ATOM 134 CA ARG A 28 12.235 -8.961 -6.575 1.00 0.00 C
137
+ ATOM 135 CB ARG A 28 13.092 -8.426 -5.427 1.00 0.00 C
138
+ ATOM 136 C ARG A 28 12.327 -10.487 -6.649 1.00 0.00 C
139
+ ATOM 137 O ARG A 28 12.544 -10.995 -7.736 1.00 0.00 O
140
+ TER 138 ARG A 28
141
+ ENDMDL
142
+ END
structures/1ris_5beads.pdb ADDED
@@ -0,0 +1,486 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ MODEL 0
2
+ ATOM 0 N MET A 1 8.751 22.246 41.614 1.00 0.00 N
3
+ ATOM 1 CA MET A 1 8.643 21.115 40.743 1.00 0.00 C
4
+ ATOM 2 CB MET A 1 8.386 19.938 41.579 1.00 0.00 C
5
+ ATOM 3 C MET A 1 7.406 21.559 39.976 1.00 0.00 C
6
+ ATOM 4 O MET A 1 6.474 22.085 40.596 1.00 0.00 O
7
+ ATOM 5 N ARG A 2 7.492 21.559 38.646 1.00 0.00 N
8
+ ATOM 6 CA ARG A 2 6.440 21.993 37.732 1.00 0.00 C
9
+ ATOM 7 CB ARG A 2 6.784 23.323 37.108 1.00 0.00 C
10
+ ATOM 8 C ARG A 2 6.365 20.944 36.633 1.00 0.00 C
11
+ ATOM 9 O ARG A 2 7.389 20.309 36.350 1.00 0.00 O
12
+ ATOM 10 N ARG A 3 5.210 20.767 36.013 1.00 0.00 N
13
+ ATOM 11 CA ARG A 3 5.029 19.755 34.991 1.00 0.00 C
14
+ ATOM 12 CB ARG A 3 3.654 19.188 35.211 1.00 0.00 C
15
+ ATOM 13 C ARG A 3 5.213 20.392 33.595 1.00 0.00 C
16
+ ATOM 14 O ARG A 3 4.640 21.443 33.262 1.00 0.00 O
17
+ ATOM 15 N TYR A 4 6.025 19.769 32.745 1.00 0.00 N
18
+ ATOM 16 CA TYR A 4 6.406 20.297 31.446 1.00 0.00 C
19
+ ATOM 17 CB TYR A 4 7.864 20.681 31.412 1.00 0.00 C
20
+ ATOM 18 C TYR A 4 6.216 19.189 30.414 1.00 0.00 C
21
+ ATOM 19 O TYR A 4 6.171 17.989 30.742 1.00 0.00 O
22
+ ATOM 20 N GLU A 5 6.115 19.592 29.153 1.00 0.00 N
23
+ ATOM 21 CA GLU A 5 6.076 18.661 28.031 1.00 0.00 C
24
+ ATOM 22 CB GLU A 5 4.874 18.931 27.195 1.00 0.00 C
25
+ ATOM 23 C GLU A 5 7.341 18.935 27.253 1.00 0.00 C
26
+ ATOM 24 O GLU A 5 7.640 20.107 26.950 1.00 0.00 O
27
+ ATOM 25 N VAL A 6 8.136 17.895 27.017 1.00 0.00 N
28
+ ATOM 26 CA VAL A 6 9.384 18.032 26.295 1.00 0.00 C
29
+ ATOM 27 CB VAL A 6 10.524 17.305 27.012 1.00 0.00 C
30
+ ATOM 28 C VAL A 6 9.150 17.391 24.931 1.00 0.00 C
31
+ ATOM 29 O VAL A 6 8.759 16.226 24.858 1.00 0.00 O
32
+ ATOM 30 N ASN A 7 9.357 18.170 23.856 1.00 0.00 N
33
+ ATOM 31 CA ASN A 7 9.164 17.782 22.453 1.00 0.00 C
34
+ ATOM 32 CB ASN A 7 8.340 18.828 21.740 1.00 0.00 C
35
+ ATOM 33 C ASN A 7 10.532 17.710 21.816 1.00 0.00 C
36
+ ATOM 34 O ASN A 7 11.248 18.726 21.750 1.00 0.00 O
37
+ ATOM 35 N ILE A 8 10.949 16.517 21.408 1.00 0.00 N
38
+ ATOM 36 CA ILE A 8 12.288 16.248 20.862 1.00 0.00 C
39
+ ATOM 37 CB ILE A 8 12.988 15.054 21.558 1.00 0.00 C
40
+ ATOM 38 C ILE A 8 12.080 15.826 19.398 1.00 0.00 C
41
+ ATOM 39 O ILE A 8 11.231 14.965 19.128 1.00 0.00 O
42
+ ATOM 40 N VAL A 9 12.815 16.420 18.470 1.00 0.00 N
43
+ ATOM 41 CA VAL A 9 12.806 15.976 17.089 1.00 0.00 C
44
+ ATOM 42 CB VAL A 9 12.516 17.146 16.112 1.00 0.00 C
45
+ ATOM 43 C VAL A 9 14.174 15.387 16.828 1.00 0.00 C
46
+ ATOM 44 O VAL A 9 15.199 16.026 17.085 1.00 0.00 O
47
+ ATOM 45 N LEU A 10 14.210 14.139 16.379 1.00 0.00 N
48
+ ATOM 46 CA LEU A 10 15.454 13.463 16.035 1.00 0.00 C
49
+ ATOM 47 CB LEU A 10 15.537 12.062 16.636 1.00 0.00 C
50
+ ATOM 48 C LEU A 10 15.578 13.288 14.518 1.00 0.00 C
51
+ ATOM 49 O LEU A 10 14.620 13.337 13.735 1.00 0.00 O
52
+ ATOM 50 N ASN A 11 16.832 13.128 14.137 1.00 0.00 N
53
+ ATOM 51 CA ASN A 11 17.230 12.742 12.793 1.00 0.00 C
54
+ ATOM 52 CB ASN A 11 18.672 12.215 12.853 1.00 0.00 C
55
+ ATOM 53 C ASN A 11 16.294 11.647 12.270 1.00 0.00 C
56
+ ATOM 54 O ASN A 11 16.209 10.602 12.926 1.00 0.00 O
57
+ ATOM 55 N PRO A 12 15.592 11.796 11.134 1.00 0.00 N
58
+ ATOM 56 CA PRO A 12 14.630 10.801 10.633 1.00 0.00 C
59
+ ATOM 57 CB PRO A 12 13.861 11.561 9.566 1.00 0.00 C
60
+ ATOM 58 C PRO A 12 15.277 9.505 10.099 1.00 0.00 C
61
+ ATOM 59 O PRO A 12 14.575 8.522 9.846 1.00 0.00 O
62
+ ATOM 60 N ASN A 13 16.602 9.462 9.895 1.00 0.00 N
63
+ ATOM 61 CA ASN A 13 17.297 8.361 9.218 1.00 0.00 C
64
+ ATOM 62 CB ASN A 13 18.305 8.905 8.190 1.00 0.00 C
65
+ ATOM 63 C ASN A 13 18.072 7.448 10.158 1.00 0.00 C
66
+ ATOM 64 O ASN A 13 19.100 6.878 9.791 1.00 0.00 O
67
+ ATOM 65 N LEU A 14 17.665 7.321 11.417 1.00 0.00 N
68
+ ATOM 66 CA LEU A 14 18.386 6.463 12.336 1.00 0.00 C
69
+ ATOM 67 CB LEU A 14 18.288 7.065 13.742 1.00 0.00 C
70
+ ATOM 68 C LEU A 14 17.813 5.055 12.292 1.00 0.00 C
71
+ ATOM 69 O LEU A 14 16.614 4.871 12.064 1.00 0.00 O
72
+ ATOM 70 N ASP A 15 18.630 4.023 12.430 1.00 0.00 N
73
+ ATOM 71 CA ASP A 15 18.096 2.673 12.569 1.00 0.00 C
74
+ ATOM 72 CB ASP A 15 19.152 1.604 12.202 1.00 0.00 C
75
+ ATOM 73 C ASP A 15 17.655 2.458 14.015 1.00 0.00 C
76
+ ATOM 74 O ASP A 15 18.074 3.180 14.930 1.00 0.00 O
77
+ ATOM 75 N GLN A 16 16.954 1.355 14.256 1.00 0.00 N
78
+ ATOM 76 CA GLN A 16 16.413 1.073 15.561 1.00 0.00 C
79
+ ATOM 77 CB GLN A 16 15.584 -0.232 15.437 1.00 0.00 C
80
+ ATOM 78 C GLN A 16 17.447 1.015 16.679 1.00 0.00 C
81
+ ATOM 79 O GLN A 16 17.088 1.468 17.766 1.00 0.00 O
82
+ ATOM 80 N SER A 17 18.699 0.579 16.518 1.00 0.00 N
83
+ ATOM 81 CA SER A 17 19.551 0.565 17.683 1.00 0.00 C
84
+ ATOM 82 CB SER A 17 20.670 -0.483 17.491 1.00 0.00 C
85
+ ATOM 83 C SER A 17 20.101 1.972 17.933 1.00 0.00 C
86
+ ATOM 84 O SER A 17 20.372 2.352 19.080 1.00 0.00 O
87
+ ATOM 85 N GLN A 18 20.195 2.816 16.895 1.00 0.00 N
88
+ ATOM 86 CA GLN A 18 20.622 4.200 17.066 1.00 0.00 C
89
+ ATOM 87 CB GLN A 18 20.853 4.881 15.740 1.00 0.00 C
90
+ ATOM 88 C GLN A 18 19.544 4.967 17.797 1.00 0.00 C
91
+ ATOM 89 O GLN A 18 19.839 5.748 18.685 1.00 0.00 O
92
+ ATOM 90 N LEU A 19 18.306 4.699 17.452 1.00 0.00 N
93
+ ATOM 91 CA LEU A 19 17.149 5.303 18.038 1.00 0.00 C
94
+ ATOM 92 CB LEU A 19 15.997 4.810 17.175 1.00 0.00 C
95
+ ATOM 93 C LEU A 19 17.045 4.931 19.523 1.00 0.00 C
96
+ ATOM 94 O LEU A 19 16.879 5.804 20.390 1.00 0.00 O
97
+ ATOM 95 N ALA A 20 17.176 3.646 19.873 1.00 0.00 N
98
+ ATOM 96 CA ALA A 20 17.108 3.223 21.267 1.00 0.00 C
99
+ ATOM 97 CB ALA A 20 17.230 1.700 21.362 1.00 0.00 C
100
+ ATOM 98 C ALA A 20 18.224 3.849 22.091 1.00 0.00 C
101
+ ATOM 99 O ALA A 20 17.992 4.212 23.242 1.00 0.00 O
102
+ ATOM 100 N LEU A 21 19.425 3.999 21.529 1.00 0.00 N
103
+ ATOM 101 CA LEU A 21 20.534 4.672 22.186 1.00 0.00 C
104
+ ATOM 102 CB LEU A 21 21.837 4.611 21.347 1.00 0.00 C
105
+ ATOM 103 C LEU A 21 20.246 6.149 22.472 1.00 0.00 C
106
+ ATOM 104 O LEU A 21 20.536 6.610 23.579 1.00 0.00 O
107
+ ATOM 105 N GLU A 22 19.718 6.912 21.513 1.00 0.00 N
108
+ ATOM 106 CA GLU A 22 19.418 8.318 21.731 1.00 0.00 C
109
+ ATOM 107 CB GLU A 22 18.814 8.984 20.496 1.00 0.00 C
110
+ ATOM 108 C GLU A 22 18.393 8.425 22.845 1.00 0.00 C
111
+ ATOM 109 O GLU A 22 18.513 9.312 23.691 1.00 0.00 O
112
+ ATOM 110 N LYS A 23 17.413 7.512 22.881 1.00 0.00 N
113
+ ATOM 111 CA LYS A 23 16.371 7.449 23.903 1.00 0.00 C
114
+ ATOM 112 CB LYS A 23 15.386 6.373 23.583 1.00 0.00 C
115
+ ATOM 113 C LYS A 23 16.941 7.184 25.265 1.00 0.00 C
116
+ ATOM 114 O LYS A 23 16.577 7.856 26.224 1.00 0.00 O
117
+ ATOM 115 N GLU A 24 17.900 6.279 25.384 1.00 0.00 N
118
+ ATOM 116 CA GLU A 24 18.560 6.072 26.646 1.00 0.00 C
119
+ ATOM 117 CB GLU A 24 19.499 4.892 26.544 1.00 0.00 C
120
+ ATOM 118 C GLU A 24 19.332 7.291 27.114 1.00 0.00 C
121
+ ATOM 119 O GLU A 24 19.262 7.619 28.291 1.00 0.00 O
122
+ ATOM 120 N ILE A 25 20.025 8.055 26.271 1.00 0.00 N
123
+ ATOM 121 CA ILE A 25 20.766 9.231 26.665 1.00 0.00 C
124
+ ATOM 122 CB ILE A 25 21.628 9.686 25.423 1.00 0.00 C
125
+ ATOM 123 C ILE A 25 19.792 10.289 27.130 1.00 0.00 C
126
+ ATOM 124 O ILE A 25 20.104 11.016 28.072 1.00 0.00 O
127
+ ATOM 125 N ILE A 26 18.636 10.381 26.494 1.00 0.00 N
128
+ ATOM 126 CA ILE A 26 17.629 11.378 26.833 1.00 0.00 C
129
+ ATOM 127 CB ILE A 26 16.439 11.420 25.793 1.00 0.00 C
130
+ ATOM 128 C ILE A 26 17.094 11.012 28.209 1.00 0.00 C
131
+ ATOM 129 O ILE A 26 17.007 11.920 29.042 1.00 0.00 O
132
+ ATOM 130 N GLN A 27 16.758 9.745 28.508 1.00 0.00 N
133
+ ATOM 131 CA GLN A 27 16.299 9.379 29.850 1.00 0.00 C
134
+ ATOM 132 CB GLN A 27 15.903 7.921 29.915 1.00 0.00 C
135
+ ATOM 133 C GLN A 27 17.317 9.640 30.944 1.00 0.00 C
136
+ ATOM 134 O GLN A 27 16.961 10.190 31.979 1.00 0.00 O
137
+ ATOM 135 N ARG A 28 18.592 9.349 30.757 1.00 0.00 N
138
+ ATOM 136 CA ARG A 28 19.575 9.641 31.756 1.00 0.00 C
139
+ ATOM 137 CB ARG A 28 20.874 8.996 31.352 1.00 0.00 C
140
+ ATOM 138 C ARG A 28 19.714 11.137 31.854 1.00 0.00 C
141
+ ATOM 139 O ARG A 28 19.910 11.641 32.946 1.00 0.00 O
142
+ ATOM 140 N ALA A 29 19.622 11.946 30.798 1.00 0.00 N
143
+ ATOM 141 CA ALA A 29 19.720 13.388 30.981 1.00 0.00 C
144
+ ATOM 142 CB ALA A 29 19.719 14.109 29.658 1.00 0.00 C
145
+ ATOM 143 C ALA A 29 18.526 13.873 31.785 1.00 0.00 C
146
+ ATOM 144 O ALA A 29 18.693 14.730 32.660 1.00 0.00 O
147
+ ATOM 145 N LEU A 30 17.350 13.259 31.566 1.00 0.00 N
148
+ ATOM 146 CA LEU A 30 16.161 13.608 32.307 1.00 0.00 C
149
+ ATOM 147 CB LEU A 30 14.963 12.833 31.770 1.00 0.00 C
150
+ ATOM 148 C LEU A 30 16.329 13.339 33.799 1.00 0.00 C
151
+ ATOM 149 O LEU A 30 16.164 14.244 34.615 1.00 0.00 O
152
+ ATOM 150 N GLU A 31 16.710 12.131 34.173 1.00 0.00 N
153
+ ATOM 151 CA GLU A 31 16.940 11.748 35.556 1.00 0.00 C
154
+ ATOM 152 CB GLU A 31 17.352 10.313 35.691 1.00 0.00 C
155
+ ATOM 153 C GLU A 31 18.029 12.556 36.189 1.00 0.00 C
156
+ ATOM 154 O GLU A 31 17.891 12.969 37.339 1.00 0.00 O
157
+ ATOM 155 N ASN A 32 19.082 12.845 35.462 1.00 0.00 N
158
+ ATOM 156 CA ASN A 32 20.126 13.646 36.040 1.00 0.00 C
159
+ ATOM 157 CB ASN A 32 21.369 13.593 35.200 1.00 0.00 C
160
+ ATOM 158 C ASN A 32 19.783 15.078 36.258 1.00 0.00 C
161
+ ATOM 159 O ASN A 32 20.543 15.724 36.979 1.00 0.00 O
162
+ ATOM 160 N TYR A 33 18.718 15.616 35.655 1.00 0.00 N
163
+ ATOM 161 CA TYR A 33 18.363 16.985 35.938 1.00 0.00 C
164
+ ATOM 162 CB TYR A 33 18.047 17.706 34.651 1.00 0.00 C
165
+ ATOM 163 C TYR A 33 17.189 17.063 36.884 1.00 0.00 C
166
+ ATOM 164 O TYR A 33 16.552 18.106 37.012 1.00 0.00 O
167
+ ATOM 165 N GLY A 34 16.846 15.981 37.573 1.00 0.00 N
168
+ ATOM 166 CA GLY A 34 15.769 16.025 38.538 1.00 0.00 C
169
+ ATOM 167 C GLY A 34 14.391 15.712 37.980 1.00 0.00 C
170
+ ATOM 168 O GLY A 34 13.416 15.916 38.697 1.00 0.00 O
171
+ ATOM 169 N ALA A 35 14.245 15.215 36.743 1.00 0.00 N
172
+ ATOM 170 CA ALA A 35 12.938 14.908 36.202 1.00 0.00 C
173
+ ATOM 171 CB ALA A 35 12.991 15.058 34.682 1.00 0.00 C
174
+ ATOM 172 C ALA A 35 12.336 13.549 36.526 1.00 0.00 C
175
+ ATOM 173 O ALA A 35 12.960 12.487 36.422 1.00 0.00 O
176
+ ATOM 174 N ARG A 36 11.069 13.609 36.898 1.00 0.00 N
177
+ ATOM 175 CA ARG A 36 10.235 12.444 37.114 1.00 0.00 C
178
+ ATOM 176 CB ARG A 36 9.107 12.669 38.170 1.00 0.00 C
179
+ ATOM 177 C ARG A 36 9.549 12.233 35.769 1.00 0.00 C
180
+ ATOM 178 O ARG A 36 8.701 13.057 35.405 1.00 0.00 O
181
+ ATOM 179 N VAL A 37 9.841 11.184 35.008 1.00 0.00 N
182
+ ATOM 180 CA VAL A 37 9.212 10.999 33.707 1.00 0.00 C
183
+ ATOM 181 CB VAL A 37 10.118 10.119 32.788 1.00 0.00 C
184
+ ATOM 182 C VAL A 37 7.847 10.352 33.900 1.00 0.00 C
185
+ ATOM 183 O VAL A 37 7.770 9.214 34.363 1.00 0.00 O
186
+ ATOM 184 N GLU A 38 6.752 10.999 33.551 1.00 0.00 N
187
+ ATOM 185 CA GLU A 38 5.453 10.402 33.771 1.00 0.00 C
188
+ ATOM 186 CB GLU A 38 4.431 11.428 34.311 1.00 0.00 C
189
+ ATOM 187 C GLU A 38 4.825 9.771 32.526 1.00 0.00 C
190
+ ATOM 188 O GLU A 38 3.877 8.978 32.668 1.00 0.00 O
191
+ ATOM 189 N LYS A 39 5.266 10.149 31.313 1.00 0.00 N
192
+ ATOM 190 CA LYS A 39 4.631 9.676 30.089 1.00 0.00 C
193
+ ATOM 191 CB LYS A 39 3.437 10.482 29.827 1.00 0.00 C
194
+ ATOM 192 C LYS A 39 5.637 9.924 28.992 1.00 0.00 C
195
+ ATOM 193 O LYS A 39 6.360 10.927 29.029 1.00 0.00 O
196
+ ATOM 194 N VAL A 40 5.749 8.986 28.072 1.00 0.00 N
197
+ ATOM 195 CA VAL A 40 6.653 9.079 26.948 1.00 0.00 C
198
+ ATOM 196 CB VAL A 40 7.796 8.077 27.037 1.00 0.00 C
199
+ ATOM 197 C VAL A 40 5.827 8.714 25.721 1.00 0.00 C
200
+ ATOM 198 O VAL A 40 5.092 7.723 25.792 1.00 0.00 O
201
+ ATOM 199 N GLU A 41 5.857 9.403 24.588 1.00 0.00 N
202
+ ATOM 200 CA GLU A 41 5.142 8.948 23.431 1.00 0.00 C
203
+ ATOM 201 CB GLU A 41 3.961 9.829 23.137 1.00 0.00 C
204
+ ATOM 202 C GLU A 41 6.144 9.024 22.312 1.00 0.00 C
205
+ ATOM 203 O GLU A 41 6.945 9.955 22.230 1.00 0.00 O
206
+ ATOM 204 N GLU A 42 6.151 7.998 21.475 1.00 0.00 N
207
+ ATOM 205 CA GLU A 42 6.992 7.916 20.293 1.00 0.00 C
208
+ ATOM 206 CB GLU A 42 7.471 6.519 20.191 1.00 0.00 C
209
+ ATOM 207 C GLU A 42 6.058 8.271 19.145 1.00 0.00 C
210
+ ATOM 208 O GLU A 42 5.192 7.478 18.814 1.00 0.00 O
211
+ ATOM 209 N LEU A 43 6.132 9.460 18.578 1.00 0.00 N
212
+ ATOM 210 CA LEU A 43 5.150 9.883 17.614 1.00 0.00 C
213
+ ATOM 211 CB LEU A 43 4.949 11.394 17.761 1.00 0.00 C
214
+ ATOM 212 C LEU A 43 5.551 9.509 16.191 1.00 0.00 C
215
+ ATOM 213 O LEU A 43 4.662 9.359 15.352 1.00 0.00 O
216
+ ATOM 214 N GLY A 44 6.824 9.354 15.815 1.00 0.00 N
217
+ ATOM 215 CA GLY A 44 7.103 8.945 14.451 1.00 0.00 C
218
+ ATOM 216 C GLY A 44 7.426 10.121 13.566 1.00 0.00 C
219
+ ATOM 217 O GLY A 44 7.688 11.232 14.042 1.00 0.00 O
220
+ ATOM 218 N LEU A 45 7.428 9.883 12.269 1.00 0.00 N
221
+ ATOM 219 CA LEU A 45 7.848 10.910 11.316 1.00 0.00 C
222
+ ATOM 220 CB LEU A 45 8.236 10.389 9.951 1.00 0.00 C
223
+ ATOM 221 C LEU A 45 6.787 11.913 11.016 1.00 0.00 C
224
+ ATOM 222 O LEU A 45 5.642 11.543 10.869 1.00 0.00 O
225
+ ATOM 223 N ARG A 46 7.194 13.150 10.850 1.00 0.00 N
226
+ ATOM 224 CA ARG A 46 6.278 14.220 10.573 1.00 0.00 C
227
+ ATOM 225 CB ARG A 46 5.835 15.025 11.870 1.00 0.00 C
228
+ ATOM 226 C ARG A 46 7.120 15.146 9.706 1.00 0.00 C
229
+ ATOM 227 O ARG A 46 8.354 15.167 9.786 1.00 0.00 O
230
+ ATOM 228 N ARG A 47 6.443 15.935 8.893 1.00 0.00 N
231
+ ATOM 229 CA ARG A 47 7.119 16.909 8.087 1.00 0.00 C
232
+ ATOM 230 CB ARG A 47 6.281 17.134 6.831 1.00 0.00 C
233
+ ATOM 231 C ARG A 47 7.274 18.172 8.921 1.00 0.00 C
234
+ ATOM 232 O ARG A 47 6.286 18.688 9.419 1.00 0.00 O
235
+ ATOM 233 N LEU A 48 8.481 18.710 9.015 1.00 0.00 N
236
+ ATOM 234 CA LEU A 48 8.793 19.896 9.779 1.00 0.00 C
237
+ ATOM 235 CB LEU A 48 10.305 20.003 9.860 1.00 0.00 C
238
+ ATOM 236 C LEU A 48 8.200 21.172 9.216 1.00 0.00 C
239
+ ATOM 237 O LEU A 48 7.984 21.265 8.018 1.00 0.00 O
240
+ ATOM 238 N ALA A 49 7.938 22.205 10.007 1.00 0.00 N
241
+ ATOM 239 CA ALA A 49 7.448 23.502 9.556 1.00 0.00 C
242
+ ATOM 240 CB ALA A 49 7.244 24.415 10.745 1.00 0.00 C
243
+ ATOM 241 C ALA A 49 8.515 24.139 8.652 1.00 0.00 C
244
+ ATOM 242 O ALA A 49 8.221 24.959 7.793 1.00 0.00 O
245
+ ATOM 243 N TYR A 50 9.802 23.856 8.880 1.00 0.00 N
246
+ ATOM 244 CA TYR A 50 10.880 24.308 8.015 1.00 0.00 C
247
+ ATOM 245 CB TYR A 50 11.405 25.706 8.437 1.00 0.00 C
248
+ ATOM 246 C TYR A 50 11.996 23.262 8.136 1.00 0.00 C
249
+ ATOM 247 O TYR A 50 12.122 22.645 9.212 1.00 0.00 O
250
+ ATOM 248 N PRO A 51 12.828 22.989 7.106 1.00 0.00 N
251
+ ATOM 249 CA PRO A 51 13.866 21.961 7.184 1.00 0.00 C
252
+ ATOM 250 CB PRO A 51 14.335 21.817 5.733 1.00 0.00 C
253
+ ATOM 251 C PRO A 51 14.982 22.277 8.168 1.00 0.00 C
254
+ ATOM 252 O PRO A 51 15.363 23.434 8.353 1.00 0.00 O
255
+ ATOM 253 N ILE A 52 15.543 21.242 8.801 1.00 0.00 N
256
+ ATOM 254 CA ILE A 52 16.622 21.402 9.748 1.00 0.00 C
257
+ ATOM 255 CB ILE A 52 16.191 21.023 11.164 1.00 0.00 C
258
+ ATOM 256 C ILE A 52 17.647 20.426 9.247 1.00 0.00 C
259
+ ATOM 257 O ILE A 52 17.280 19.312 8.893 1.00 0.00 O
260
+ ATOM 258 N ALA A 53 18.899 20.854 9.102 1.00 0.00 N
261
+ ATOM 259 CA ALA A 53 20.021 20.057 8.548 1.00 0.00 C
262
+ ATOM 260 CB ALA A 53 20.382 18.883 9.478 1.00 0.00 C
263
+ ATOM 261 C ALA A 53 19.731 19.490 7.141 1.00 0.00 C
264
+ ATOM 262 O ALA A 53 20.116 18.382 6.749 1.00 0.00 O
265
+ ATOM 263 N LYS A 54 19.060 20.361 6.366 1.00 0.00 N
266
+ ATOM 264 CA LYS A 54 18.498 20.118 5.039 1.00 0.00 C
267
+ ATOM 265 CB LYS A 54 19.599 19.935 3.983 1.00 0.00 C
268
+ ATOM 266 C LYS A 54 17.574 18.915 4.996 1.00 0.00 C
269
+ ATOM 267 O LYS A 54 17.317 18.285 3.976 1.00 0.00 O
270
+ ATOM 268 N ASP A 55 16.980 18.619 6.135 1.00 0.00 N
271
+ ATOM 269 CA ASP A 55 16.090 17.496 6.275 1.00 0.00 C
272
+ ATOM 270 CB ASP A 55 16.572 16.717 7.422 1.00 0.00 C
273
+ ATOM 271 C ASP A 55 14.695 18.015 6.526 1.00 0.00 C
274
+ ATOM 272 O ASP A 55 14.514 18.728 7.488 1.00 0.00 O
275
+ ATOM 273 N PRO A 56 13.682 17.739 5.729 1.00 0.00 N
276
+ ATOM 274 CA PRO A 56 12.347 18.294 5.869 1.00 0.00 C
277
+ ATOM 275 CB PRO A 56 11.932 18.395 4.417 1.00 0.00 C
278
+ ATOM 276 C PRO A 56 11.416 17.487 6.754 1.00 0.00 C
279
+ ATOM 277 O PRO A 56 10.221 17.756 6.862 1.00 0.00 O
280
+ ATOM 278 N GLN A 57 11.942 16.422 7.353 1.00 0.00 N
281
+ ATOM 279 CA GLN A 57 11.189 15.502 8.214 1.00 0.00 C
282
+ ATOM 280 CB GLN A 57 10.964 14.139 7.563 1.00 0.00 C
283
+ ATOM 281 C GLN A 57 11.996 15.233 9.469 1.00 0.00 C
284
+ ATOM 282 O GLN A 57 13.234 15.374 9.484 1.00 0.00 O
285
+ ATOM 283 N GLY A 58 11.295 14.794 10.489 1.00 0.00 N
286
+ ATOM 284 CA GLY A 58 11.983 14.463 11.716 1.00 0.00 C
287
+ ATOM 285 C GLY A 58 11.196 13.391 12.426 1.00 0.00 C
288
+ ATOM 286 O GLY A 58 10.032 13.137 12.093 1.00 0.00 O
289
+ ATOM 287 N TYR A 59 11.861 12.747 13.362 1.00 0.00 N
290
+ ATOM 288 CA TYR A 59 11.249 11.673 14.108 1.00 0.00 C
291
+ ATOM 289 CB TYR A 59 12.278 10.592 14.275 1.00 0.00 C
292
+ ATOM 290 C TYR A 59 10.865 12.307 15.437 1.00 0.00 C
293
+ ATOM 291 O TYR A 59 11.740 12.821 16.149 1.00 0.00 O
294
+ ATOM 292 N PHE A 60 9.601 12.290 15.817 1.00 0.00 N
295
+ ATOM 293 CA PHE A 60 9.152 12.993 17.022 1.00 0.00 C
296
+ ATOM 294 CB PHE A 60 7.795 13.684 16.721 1.00 0.00 C
297
+ ATOM 295 C PHE A 60 9.015 12.124 18.267 1.00 0.00 C
298
+ ATOM 296 O PHE A 60 8.452 11.014 18.195 1.00 0.00 O
299
+ ATOM 297 N LEU A 61 9.494 12.637 19.408 1.00 0.00 N
300
+ ATOM 298 CA LEU A 61 9.349 12.009 20.719 1.00 0.00 C
301
+ ATOM 299 CB LEU A 61 10.693 11.621 21.302 1.00 0.00 C
302
+ ATOM 300 C LEU A 61 8.725 13.062 21.648 1.00 0.00 C
303
+ ATOM 301 O LEU A 61 9.089 14.244 21.565 1.00 0.00 O
304
+ ATOM 302 N TRP A 62 7.758 12.727 22.497 1.00 0.00 N
305
+ ATOM 303 CA TRP A 62 7.168 13.655 23.465 1.00 0.00 C
306
+ ATOM 304 CB TRP A 62 5.729 13.921 23.070 1.00 0.00 C
307
+ ATOM 305 C TRP A 62 7.257 13.035 24.863 1.00 0.00 C
308
+ ATOM 306 O TRP A 62 7.151 11.809 25.026 1.00 0.00 O
309
+ ATOM 307 N TYR A 63 7.492 13.866 25.878 1.00 0.00 N
310
+ ATOM 308 CA TYR A 63 7.617 13.391 27.251 1.00 0.00 C
311
+ ATOM 309 CB TYR A 63 9.053 13.452 27.809 1.00 0.00 C
312
+ ATOM 310 C TYR A 63 6.813 14.297 28.132 1.00 0.00 C
313
+ ATOM 311 O TYR A 63 6.852 15.512 27.928 1.00 0.00 O
314
+ ATOM 312 N GLN A 64 6.102 13.750 29.116 1.00 0.00 N
315
+ ATOM 313 CA GLN A 64 5.448 14.546 30.141 1.00 0.00 C
316
+ ATOM 314 CB GLN A 64 4.049 14.069 30.439 1.00 0.00 C
317
+ ATOM 315 C GLN A 64 6.318 14.282 31.365 1.00 0.00 C
318
+ ATOM 316 O GLN A 64 6.512 13.117 31.756 1.00 0.00 O
319
+ ATOM 317 N VAL A 65 6.881 15.361 31.908 1.00 0.00 N
320
+ ATOM 318 CA VAL A 65 7.769 15.271 33.065 1.00 0.00 C
321
+ ATOM 319 CB VAL A 65 9.278 15.619 32.726 1.00 0.00 C
322
+ ATOM 320 C VAL A 65 7.333 16.195 34.209 1.00 0.00 C
323
+ ATOM 321 O VAL A 65 6.529 17.117 34.015 1.00 0.00 O
324
+ ATOM 322 N GLU A 66 7.857 15.968 35.411 1.00 0.00 N
325
+ ATOM 323 CA GLU A 66 7.676 16.882 36.536 1.00 0.00 C
326
+ ATOM 324 CB GLU A 66 6.925 16.187 37.621 1.00 0.00 C
327
+ ATOM 325 C GLU A 66 9.087 17.136 36.944 1.00 0.00 C
328
+ ATOM 326 O GLU A 66 9.801 16.159 37.209 1.00 0.00 O
329
+ ATOM 327 N MET A 67 9.591 18.367 36.919 1.00 0.00 N
330
+ ATOM 328 CA MET A 67 10.971 18.617 37.263 1.00 0.00 C
331
+ ATOM 329 CB MET A 67 11.837 18.466 36.016 1.00 0.00 C
332
+ ATOM 330 C MET A 67 11.137 20.009 37.867 1.00 0.00 C
333
+ ATOM 331 O MET A 67 10.188 20.809 37.823 1.00 0.00 O
334
+ ATOM 332 N PRO A 68 12.246 20.388 38.513 1.00 0.00 N
335
+ ATOM 333 CA PRO A 68 12.464 21.720 39.065 1.00 0.00 C
336
+ ATOM 334 CB PRO A 68 13.774 21.639 39.852 1.00 0.00 C
337
+ ATOM 335 C PRO A 68 12.564 22.736 37.928 1.00 0.00 C
338
+ ATOM 336 O PRO A 68 13.440 22.620 37.060 1.00 0.00 O
339
+ ATOM 337 N GLU A 69 11.786 23.807 37.952 1.00 0.00 N
340
+ ATOM 338 CA GLU A 69 11.882 24.783 36.888 1.00 0.00 C
341
+ ATOM 339 CB GLU A 69 10.874 25.864 37.144 1.00 0.00 C
342
+ ATOM 340 C GLU A 69 13.248 25.388 36.706 1.00 0.00 C
343
+ ATOM 341 O GLU A 69 13.605 25.744 35.586 1.00 0.00 O
344
+ ATOM 342 N ASP A 70 14.068 25.485 37.766 1.00 0.00 N
345
+ ATOM 343 CA ASP A 70 15.389 26.105 37.665 1.00 0.00 C
346
+ ATOM 344 CB ASP A 70 15.986 26.368 39.055 1.00 0.00 C
347
+ ATOM 345 C ASP A 70 16.377 25.240 36.876 1.00 0.00 C
348
+ ATOM 346 O ASP A 70 17.488 25.708 36.603 1.00 0.00 O
349
+ ATOM 347 N ARG A 71 16.013 23.982 36.548 1.00 0.00 N
350
+ ATOM 348 CA ARG A 71 16.889 23.068 35.834 1.00 0.00 C
351
+ ATOM 349 CB ARG A 71 16.847 21.698 36.508 1.00 0.00 C
352
+ ATOM 350 C ARG A 71 16.530 22.905 34.358 1.00 0.00 C
353
+ ATOM 351 O ARG A 71 17.358 22.430 33.553 1.00 0.00 O
354
+ ATOM 352 N VAL A 72 15.328 23.390 33.975 1.00 0.00 N
355
+ ATOM 353 CA VAL A 72 14.775 23.141 32.641 1.00 0.00 C
356
+ ATOM 354 CB VAL A 72 13.365 23.759 32.480 1.00 0.00 C
357
+ ATOM 355 C VAL A 72 15.679 23.692 31.554 1.00 0.00 C
358
+ ATOM 356 O VAL A 72 16.060 22.935 30.639 1.00 0.00 O
359
+ ATOM 357 N ASN A 73 16.118 24.948 31.656 1.00 0.00 N
360
+ ATOM 358 CA ASN A 73 16.951 25.463 30.609 1.00 0.00 C
361
+ ATOM 359 CB ASN A 73 17.193 26.921 30.848 1.00 0.00 C
362
+ ATOM 360 C ASN A 73 18.280 24.706 30.497 1.00 0.00 C
363
+ ATOM 361 O ASN A 73 18.744 24.470 29.373 1.00 0.00 O
364
+ ATOM 362 N ASP A 74 18.845 24.171 31.588 1.00 0.00 N
365
+ ATOM 363 CA ASP A 74 20.104 23.453 31.467 1.00 0.00 C
366
+ ATOM 364 CB ASP A 74 20.769 23.197 32.780 1.00 0.00 C
367
+ ATOM 365 C ASP A 74 19.855 22.100 30.855 1.00 0.00 C
368
+ ATOM 366 O ASP A 74 20.729 21.606 30.140 1.00 0.00 O
369
+ ATOM 367 N LEU A 75 18.697 21.506 31.130 1.00 0.00 N
370
+ ATOM 368 CA LEU A 75 18.361 20.253 30.487 1.00 0.00 C
371
+ ATOM 369 CB LEU A 75 17.075 19.656 31.012 1.00 0.00 C
372
+ ATOM 370 C LEU A 75 18.187 20.435 28.984 1.00 0.00 C
373
+ ATOM 371 O LEU A 75 18.716 19.629 28.214 1.00 0.00 O
374
+ ATOM 372 N ALA A 76 17.480 21.472 28.526 1.00 0.00 N
375
+ ATOM 373 CA ALA A 76 17.257 21.700 27.112 1.00 0.00 C
376
+ ATOM 374 CB ALA A 76 16.407 22.948 26.955 1.00 0.00 C
377
+ ATOM 375 C ALA A 76 18.606 21.860 26.431 1.00 0.00 C
378
+ ATOM 376 O ALA A 76 18.841 21.264 25.382 1.00 0.00 O
379
+ ATOM 377 N ARG A 77 19.536 22.584 27.053 1.00 0.00 N
380
+ ATOM 378 CA ARG A 77 20.887 22.745 26.546 1.00 0.00 C
381
+ ATOM 379 CB ARG A 77 21.779 23.527 27.476 1.00 0.00 C
382
+ ATOM 380 C ARG A 77 21.632 21.430 26.345 1.00 0.00 C
383
+ ATOM 381 O ARG A 77 22.287 21.211 25.323 1.00 0.00 O
384
+ ATOM 382 N GLU A 78 21.573 20.573 27.367 1.00 0.00 N
385
+ ATOM 383 CA GLU A 78 22.223 19.273 27.369 1.00 0.00 C
386
+ ATOM 384 CB GLU A 78 21.949 18.654 28.715 1.00 0.00 C
387
+ ATOM 385 C GLU A 78 21.695 18.398 26.226 1.00 0.00 C
388
+ ATOM 386 O GLU A 78 22.460 17.821 25.447 1.00 0.00 O
389
+ ATOM 387 N LEU A 79 20.370 18.333 26.093 1.00 0.00 N
390
+ ATOM 388 CA LEU A 79 19.741 17.570 25.027 1.00 0.00 C
391
+ ATOM 389 CB LEU A 79 18.262 17.616 25.200 1.00 0.00 C
392
+ ATOM 390 C LEU A 79 20.087 18.076 23.626 1.00 0.00 C
393
+ ATOM 391 O LEU A 79 20.159 17.294 22.671 1.00 0.00 O
394
+ ATOM 392 N ARG A 80 20.358 19.368 23.489 1.00 0.00 N
395
+ ATOM 393 CA ARG A 80 20.687 19.928 22.209 1.00 0.00 C
396
+ ATOM 394 CB ARG A 80 20.448 21.441 22.211 1.00 0.00 C
397
+ ATOM 395 C ARG A 80 22.101 19.644 21.784 1.00 0.00 C
398
+ ATOM 396 O ARG A 80 22.401 19.921 20.630 1.00 0.00 O
399
+ ATOM 397 N ILE A 81 22.992 19.057 22.573 1.00 0.00 N
400
+ ATOM 398 CA ILE A 81 24.330 18.841 22.062 1.00 0.00 C
401
+ ATOM 399 CB ILE A 81 25.412 19.007 23.156 1.00 0.00 C
402
+ ATOM 400 C ILE A 81 24.535 17.496 21.406 1.00 0.00 C
403
+ ATOM 401 O ILE A 81 25.612 17.241 20.858 1.00 0.00 O
404
+ ATOM 402 N ARG A 82 23.520 16.621 21.447 1.00 0.00 N
405
+ ATOM 403 CA ARG A 82 23.612 15.366 20.728 1.00 0.00 C
406
+ ATOM 404 CB ARG A 82 22.586 14.322 21.220 1.00 0.00 C
407
+ ATOM 405 C ARG A 82 23.315 15.742 19.288 1.00 0.00 C
408
+ ATOM 406 O ARG A 82 22.340 16.426 18.975 1.00 0.00 O
409
+ ATOM 407 N ASP A 83 24.178 15.271 18.412 1.00 0.00 N
410
+ ATOM 408 CA ASP A 83 24.134 15.550 16.988 1.00 0.00 C
411
+ ATOM 409 CB ASP A 83 25.298 14.841 16.284 1.00 0.00 C
412
+ ATOM 410 C ASP A 83 22.835 15.114 16.339 1.00 0.00 C
413
+ ATOM 411 O ASP A 83 22.342 15.748 15.416 1.00 0.00 O
414
+ ATOM 412 N ASN A 84 22.221 14.040 16.810 1.00 0.00 N
415
+ ATOM 413 CA ASN A 84 20.984 13.572 16.237 1.00 0.00 C
416
+ ATOM 414 CB ASN A 84 20.839 12.079 16.456 1.00 0.00 C
417
+ ATOM 415 C ASN A 84 19.757 14.260 16.770 1.00 0.00 C
418
+ ATOM 416 O ASN A 84 18.664 13.932 16.315 1.00 0.00 O
419
+ ATOM 417 N VAL A 85 19.858 15.193 17.734 1.00 0.00 N
420
+ ATOM 418 CA VAL A 85 18.702 15.928 18.245 1.00 0.00 C
421
+ ATOM 419 CB VAL A 85 18.933 16.322 19.728 1.00 0.00 C
422
+ ATOM 420 C VAL A 85 18.619 17.150 17.359 1.00 0.00 C
423
+ ATOM 421 O VAL A 85 19.533 17.970 17.333 1.00 0.00 O
424
+ ATOM 422 N ARG A 86 17.560 17.235 16.564 1.00 0.00 N
425
+ ATOM 423 CA ARG A 86 17.343 18.325 15.624 1.00 0.00 C
426
+ ATOM 424 CB ARG A 86 16.456 17.879 14.422 1.00 0.00 C
427
+ ATOM 425 C ARG A 86 16.616 19.451 16.353 1.00 0.00 C
428
+ ATOM 426 O ARG A 86 16.802 20.621 15.988 1.00 0.00 O
429
+ ATOM 427 N ARG A 87 15.773 19.232 17.356 1.00 0.00 N
430
+ ATOM 428 CA ARG A 87 15.026 20.349 17.910 1.00 0.00 C
431
+ ATOM 429 CB ARG A 87 13.882 20.660 16.961 1.00 0.00 C
432
+ ATOM 430 C ARG A 87 14.499 19.929 19.265 1.00 0.00 C
433
+ ATOM 431 O ARG A 87 14.057 18.784 19.399 1.00 0.00 O
434
+ ATOM 432 N VAL A 88 14.547 20.787 20.277 1.00 0.00 N
435
+ ATOM 433 CA VAL A 88 14.046 20.502 21.612 1.00 0.00 C
436
+ ATOM 434 CB VAL A 88 15.148 20.535 22.710 1.00 0.00 C
437
+ ATOM 435 C VAL A 88 13.095 21.650 21.891 1.00 0.00 C
438
+ ATOM 436 O VAL A 88 13.465 22.810 21.637 1.00 0.00 O
439
+ ATOM 437 N MET A 89 11.905 21.418 22.412 1.00 0.00 N
440
+ ATOM 438 CA MET A 89 11.069 22.523 22.778 1.00 0.00 C
441
+ ATOM 439 CB MET A 89 10.137 22.740 21.638 1.00 0.00 C
442
+ ATOM 440 C MET A 89 10.366 22.056 24.039 1.00 0.00 C
443
+ ATOM 441 O MET A 89 9.775 20.968 24.077 1.00 0.00 O
444
+ ATOM 442 N VAL A 90 10.474 22.827 25.108 1.00 0.00 N
445
+ ATOM 443 CA VAL A 90 9.865 22.482 26.381 1.00 0.00 C
446
+ ATOM 444 CB VAL A 90 10.912 22.559 27.496 1.00 0.00 C
447
+ ATOM 445 C VAL A 90 8.748 23.476 26.644 1.00 0.00 C
448
+ ATOM 446 O VAL A 90 9.006 24.686 26.585 1.00 0.00 O
449
+ ATOM 447 N VAL A 91 7.517 23.061 26.910 1.00 0.00 N
450
+ ATOM 448 CA VAL A 91 6.462 24.001 27.187 1.00 0.00 C
451
+ ATOM 449 CB VAL A 91 5.372 23.962 26.059 1.00 0.00 C
452
+ ATOM 450 C VAL A 91 5.867 23.583 28.539 1.00 0.00 C
453
+ ATOM 451 O VAL A 91 6.020 22.422 28.916 1.00 0.00 O
454
+ ATOM 452 N LYS A 92 5.209 24.457 29.303 1.00 0.00 N
455
+ ATOM 453 CA LYS A 92 4.499 24.098 30.510 1.00 0.00 C
456
+ ATOM 454 CB LYS A 92 4.001 25.322 31.199 1.00 0.00 C
457
+ ATOM 455 C LYS A 92 3.315 23.229 30.172 1.00 0.00 C
458
+ ATOM 456 O LYS A 92 2.621 23.464 29.196 1.00 0.00 O
459
+ ATOM 457 N SER A 93 3.005 22.225 30.954 1.00 0.00 N
460
+ ATOM 458 CA SER A 93 1.929 21.318 30.687 1.00 0.00 C
461
+ ATOM 459 CB SER A 93 2.233 20.159 31.593 1.00 0.00 C
462
+ ATOM 460 C SER A 93 0.601 22.017 30.946 1.00 0.00 C
463
+ ATOM 461 O SER A 93 0.445 22.661 31.982 1.00 0.00 O
464
+ ATOM 462 N GLN A 94 -0.387 22.039 30.061 1.00 0.00 N
465
+ ATOM 463 CA GLN A 94 -1.660 22.669 30.394 1.00 0.00 C
466
+ ATOM 464 CB GLN A 94 -2.249 23.404 29.285 1.00 0.00 C
467
+ ATOM 465 C GLN A 94 -2.732 21.699 30.765 1.00 0.00 C
468
+ ATOM 466 O GLN A 94 -3.605 22.027 31.550 1.00 0.00 O
469
+ ATOM 467 N GLU A 95 -2.732 20.525 30.128 1.00 0.00 N
470
+ ATOM 468 CA GLU A 95 -3.786 19.539 30.329 1.00 0.00 C
471
+ ATOM 469 CB GLU A 95 -4.737 19.476 29.124 1.00 0.00 C
472
+ ATOM 470 C GLU A 95 -3.097 18.215 30.495 1.00 0.00 C
473
+ ATOM 471 O GLU A 95 -2.932 17.459 29.550 1.00 0.00 O
474
+ ATOM 472 N PRO A 96 -2.537 17.918 31.658 1.00 0.00 N
475
+ ATOM 473 CA PRO A 96 -1.698 16.747 31.828 1.00 0.00 C
476
+ ATOM 474 CB PRO A 96 -1.028 16.994 33.147 1.00 0.00 C
477
+ ATOM 475 C PRO A 96 -2.446 15.451 31.763 1.00 0.00 C
478
+ ATOM 476 O PRO A 96 -3.625 15.407 32.092 1.00 0.00 O
479
+ ATOM 477 N PHE A 97 -1.745 14.437 31.291 1.00 0.00 N
480
+ ATOM 478 CA PHE A 97 -2.222 13.078 31.271 1.00 0.00 C
481
+ ATOM 479 CB PHE A 97 -1.356 12.217 30.362 1.00 0.00 C
482
+ ATOM 480 C PHE A 97 -2.080 12.576 32.702 1.00 0.00 C
483
+ ATOM 481 O PHE A 97 -1.026 12.860 33.296 1.00 0.00 O
484
+ TER 482 PHE A 97
485
+ ENDMDL
486
+ END
structures/1yrf_5beads.pdb ADDED
@@ -0,0 +1,177 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ MODEL 0
2
+ ATOM 0 N LEU A 42 -7.397 9.811 7.912 1.00 0.00 N
3
+ ATOM 1 CA LEU A 42 -6.429 9.299 6.989 1.00 0.00 C
4
+ ATOM 2 CB LEU A 42 -6.594 10.066 5.641 1.00 0.00 C
5
+ ATOM 3 C LEU A 42 -4.999 9.526 7.461 1.00 0.00 C
6
+ ATOM 4 O LEU A 42 -4.812 10.441 8.271 1.00 0.00 O
7
+ ATOM 5 N SER A 43 -4.031 8.813 6.991 1.00 0.00 N
8
+ ATOM 6 CA SER A 43 -2.633 9.119 7.222 1.00 0.00 C
9
+ ATOM 7 CB SER A 43 -1.729 8.019 6.644 1.00 0.00 C
10
+ ATOM 8 C SER A 43 -2.326 10.449 6.544 1.00 0.00 C
11
+ ATOM 9 O SER A 43 -3.048 10.929 5.652 1.00 0.00 O
12
+ ATOM 10 N ASP A 44 -1.212 11.029 6.951 1.00 0.00 N
13
+ ATOM 11 CA ASP A 44 -0.814 12.312 6.401 1.00 0.00 C
14
+ ATOM 12 CB ASP A 44 0.294 13.000 7.193 1.00 0.00 C
15
+ ATOM 13 C ASP A 44 -0.478 12.119 4.919 1.00 0.00 C
16
+ ATOM 14 O ASP A 44 -0.730 12.992 4.101 1.00 0.00 O
17
+ ATOM 15 N GLU A 45 0.100 10.944 4.606 1.00 0.00 N
18
+ ATOM 16 CA GLU A 45 0.379 10.649 3.217 1.00 0.00 C
19
+ ATOM 17 CB GLU A 45 1.251 9.378 3.099 1.00 0.00 C
20
+ ATOM 18 C GLU A 45 -0.889 10.535 2.384 1.00 0.00 C
21
+ ATOM 19 O GLU A 45 -0.969 11.056 1.260 1.00 0.00 O
22
+ ATOM 20 N ASP A 46 -1.896 9.799 2.874 1.00 0.00 N
23
+ ATOM 21 CA ASP A 46 -3.141 9.714 2.166 1.00 0.00 C
24
+ ATOM 22 CB ASP A 46 -4.089 8.712 2.784 1.00 0.00 C
25
+ ATOM 23 C ASP A 46 -3.813 11.069 2.039 1.00 0.00 C
26
+ ATOM 24 O ASP A 46 -4.427 11.338 1.008 1.00 0.00 O
27
+ ATOM 25 N PHE A 47 -3.781 11.874 3.069 1.00 0.00 N
28
+ ATOM 26 CA PHE A 47 -4.405 13.193 2.985 1.00 0.00 C
29
+ ATOM 27 CB PHE A 47 -4.194 13.907 4.356 1.00 0.00 C
30
+ ATOM 28 C PHE A 47 -3.816 14.004 1.865 1.00 0.00 C
31
+ ATOM 29 O PHE A 47 -4.518 14.627 1.083 1.00 0.00 O
32
+ ATOM 30 N LYS A 48 -2.443 14.021 1.810 1.00 0.00 N
33
+ ATOM 31 CA LYS A 48 -1.810 14.768 0.755 1.00 0.00 C
34
+ ATOM 32 CB LYS A 48 -0.294 14.743 0.906 1.00 0.00 C
35
+ ATOM 33 C LYS A 48 -2.187 14.234 -0.636 1.00 0.00 C
36
+ ATOM 34 O LYS A 48 -2.343 15.008 -1.562 1.00 0.00 O
37
+ ATOM 35 N ALA A 49 -2.299 12.934 -0.784 1.00 0.00 N
38
+ ATOM 36 CA ALA A 49 -2.705 12.344 -2.049 1.00 0.00 C
39
+ ATOM 37 CB ALA A 49 -2.644 10.832 -1.966 1.00 0.00 C
40
+ ATOM 38 C ALA A 49 -4.124 12.789 -2.416 1.00 0.00 C
41
+ ATOM 39 O ALA A 49 -4.398 13.175 -3.567 1.00 0.00 O
42
+ ATOM 40 N VAL A 50 -5.037 12.699 -1.455 1.00 0.00 N
43
+ ATOM 41 CA VAL A 50 -6.464 13.034 -1.752 1.00 0.00 C
44
+ ATOM 42 CB VAL A 50 -7.374 12.556 -0.622 1.00 0.00 C
45
+ ATOM 43 C VAL A 50 -6.650 14.522 -2.043 1.00 0.00 C
46
+ ATOM 44 O VAL A 50 -7.310 14.909 -3.025 1.00 0.00 O
47
+ ATOM 45 N PHE A 51 -6.049 15.385 -1.223 1.00 0.00 N
48
+ ATOM 46 CA PHE A 51 -6.345 16.806 -1.316 1.00 0.00 C
49
+ ATOM 47 CB PHE A 51 -6.535 17.397 0.137 1.00 0.00 C
50
+ ATOM 48 C PHE A 51 -5.283 17.627 -2.045 1.00 0.00 C
51
+ ATOM 49 O PHE A 51 -5.519 18.825 -2.256 1.00 0.00 O
52
+ ATOM 50 N GLY A 52 -4.160 17.020 -2.398 1.00 0.00 N
53
+ ATOM 51 CA GLY A 52 -3.152 17.734 -3.159 1.00 0.00 C
54
+ ATOM 52 C GLY A 52 -2.336 18.749 -2.441 1.00 0.00 C
55
+ ATOM 53 O GLY A 52 -1.709 19.617 -3.072 1.00 0.00 O
56
+ ATOM 54 N MET A 53 -2.324 18.667 -1.103 1.00 0.00 N
57
+ ATOM 55 CA MET A 53 -1.538 19.556 -0.264 1.00 0.00 C
58
+ ATOM 56 CB MET A 53 -2.109 20.972 -0.233 1.00 0.00 C
59
+ ATOM 57 C MET A 53 -1.479 18.929 1.119 1.00 0.00 C
60
+ ATOM 58 O MET A 53 -2.277 18.005 1.409 1.00 0.00 O
61
+ ATOM 59 N THR A 54 -0.583 19.399 1.951 1.00 0.00 N
62
+ ATOM 60 CA THR A 54 -0.515 18.886 3.302 1.00 0.00 C
63
+ ATOM 61 CB THR A 54 0.792 19.274 4.007 1.00 0.00 C
64
+ ATOM 62 C THR A 54 -1.711 19.353 4.167 1.00 0.00 C
65
+ ATOM 63 O THR A 54 -2.378 20.346 3.858 1.00 0.00 O
66
+ ATOM 64 N ARG A 55 -1.894 18.683 5.279 1.00 0.00 N
67
+ ATOM 65 CA ARG A 55 -2.838 19.161 6.294 1.00 0.00 C
68
+ ATOM 66 CB ARG A 55 -2.783 18.306 7.535 1.00 0.00 C
69
+ ATOM 67 C ARG A 55 -2.564 20.589 6.726 1.00 0.00 C
70
+ ATOM 68 O ARG A 55 -3.492 21.364 6.897 1.00 0.00 O
71
+ ATOM 69 N SER A 56 -1.281 20.890 6.924 1.00 0.00 N
72
+ ATOM 70 CA SER A 56 -0.951 22.229 7.342 1.00 0.00 C
73
+ ATOM 71 CB SER A 56 0.571 22.309 7.531 1.00 0.00 C
74
+ ATOM 72 C SER A 56 -1.420 23.252 6.311 1.00 0.00 C
75
+ ATOM 73 O SER A 56 -1.889 24.324 6.667 1.00 0.00 O
76
+ ATOM 74 N ALA A 57 -1.183 22.971 5.033 1.00 0.00 N
77
+ ATOM 75 CA ALA A 57 -1.605 23.886 3.988 1.00 0.00 C
78
+ ATOM 76 CB ALA A 57 -1.084 23.336 2.652 1.00 0.00 C
79
+ ATOM 77 C ALA A 57 -3.105 24.061 3.975 1.00 0.00 C
80
+ ATOM 78 O ALA A 57 -3.673 25.164 3.848 1.00 0.00 O
81
+ ATOM 79 N PHE A 58 -3.776 22.887 4.030 1.00 0.00 N
82
+ ATOM 80 CA PHE A 58 -5.252 22.895 3.948 1.00 0.00 C
83
+ ATOM 81 CB PHE A 58 -5.666 21.411 3.942 1.00 0.00 C
84
+ ATOM 82 C PHE A 58 -5.890 23.701 5.055 1.00 0.00 C
85
+ ATOM 83 O PHE A 58 -6.925 24.356 4.880 1.00 0.00 O
86
+ ATOM 84 N ALA A 59 -5.244 23.656 6.240 1.00 0.00 N
87
+ ATOM 85 CA ALA A 59 -5.744 24.329 7.395 1.00 0.00 C
88
+ ATOM 86 CB ALA A 59 -4.972 23.872 8.630 1.00 0.00 C
89
+ ATOM 87 C ALA A 59 -5.723 25.861 7.251 1.00 0.00 C
90
+ ATOM 88 O ALA A 59 -6.357 26.577 8.032 1.00 0.00 O
91
+ ATOM 89 N ASN A 60 -4.988 26.375 6.256 1.00 0.00 N
92
+ ATOM 90 CA ASN A 60 -4.994 27.808 5.959 1.00 0.00 C
93
+ ATOM 91 CB ASN A 60 -3.666 28.243 5.304 1.00 0.00 C
94
+ ATOM 92 C ASN A 60 -6.159 28.264 5.073 1.00 0.00 C
95
+ ATOM 93 O ASN A 60 -6.373 29.467 4.960 1.00 0.00 O
96
+ ATOM 94 N LEU A 61 -6.887 27.345 4.495 1.00 0.00 N
97
+ ATOM 95 CA LEU A 61 -8.007 27.710 3.663 1.00 0.00 C
98
+ ATOM 96 CB LEU A 61 -8.413 26.529 2.780 1.00 0.00 C
99
+ ATOM 97 C LEU A 61 -9.164 28.163 4.527 1.00 0.00 C
100
+ ATOM 98 O LEU A 61 -9.261 27.805 5.720 1.00 0.00 O
101
+ ATOM 99 N PRO A 62 -10.115 28.916 3.990 1.00 0.00 N
102
+ ATOM 100 CA PRO A 62 -11.336 29.283 4.776 1.00 0.00 C
103
+ ATOM 101 CB PRO A 62 -12.232 30.000 3.749 1.00 0.00 C
104
+ ATOM 102 C PRO A 62 -12.003 28.053 5.327 1.00 0.00 C
105
+ ATOM 103 O PRO A 62 -12.008 26.973 4.692 1.00 0.00 O
106
+ ATOM 104 N LEU A 63 -12.592 28.155 6.489 1.00 0.00 N
107
+ ATOM 105 CA LEU A 63 -13.206 26.991 7.099 1.00 0.00 C
108
+ ATOM 106 CB LEU A 63 -13.751 27.296 8.492 1.00 0.00 C
109
+ ATOM 107 C LEU A 63 -14.300 26.401 6.233 1.00 0.00 C
110
+ ATOM 108 O LEU A 63 -14.426 25.176 6.137 1.00 0.00 O
111
+ ATOM 109 N TRP A 64 -15.143 27.213 5.632 1.00 0.00 N
112
+ ATOM 110 CA TRP A 64 -16.208 26.687 4.791 1.00 0.00 C
113
+ ATOM 111 CB TRP A 64 -17.203 27.740 4.298 1.00 0.00 C
114
+ ATOM 112 C TRP A 64 -15.626 25.944 3.609 1.00 0.00 C
115
+ ATOM 113 O TRP A 64 -16.223 24.978 3.104 1.00 0.00 O
116
+ ATOM 114 N LYS A 65 -14.485 26.386 3.133 1.00 0.00 N
117
+ ATOM 115 CA LYS A 65 -13.841 25.745 1.965 1.00 0.00 C
118
+ ATOM 116 CB LYS A 65 -12.803 26.650 1.350 1.00 0.00 C
119
+ ATOM 117 C LYS A 65 -13.236 24.415 2.342 1.00 0.00 C
120
+ ATOM 118 O LYS A 65 -13.320 23.453 1.598 1.00 0.00 O
121
+ ATOM 119 N GLN A 66 -12.615 24.338 3.537 1.00 0.00 N
122
+ ATOM 120 CA GLN A 66 -12.147 23.037 4.030 1.00 0.00 C
123
+ ATOM 121 CB GLN A 66 -11.539 23.190 5.397 1.00 0.00 C
124
+ ATOM 122 C GLN A 66 -13.313 22.060 4.108 1.00 0.00 C
125
+ ATOM 123 O GLN A 66 -13.195 20.913 3.666 1.00 0.00 O
126
+ ATOM 124 N GLN A 67 -14.454 22.502 4.641 1.00 0.00 N
127
+ ATOM 125 CA GLN A 67 -15.624 21.639 4.734 1.00 0.00 C
128
+ ATOM 126 CB GLN A 67 -16.766 22.289 5.513 1.00 0.00 C
129
+ ATOM 127 C GLN A 67 -16.060 21.194 3.342 1.00 0.00 C
130
+ ATOM 128 O GLN A 67 -16.327 20.021 3.104 1.00 0.00 O
131
+ ATOM 129 N HIS A 68 -16.173 22.129 2.419 1.00 0.00 N
132
+ ATOM 130 CA HIS A 68 -16.575 21.829 1.051 1.00 0.00 C
133
+ ATOM 131 CB HIS A 68 -16.497 23.122 0.219 1.00 0.00 C
134
+ ATOM 132 C HIS A 68 -15.657 20.826 0.388 1.00 0.00 C
135
+ ATOM 133 O HIS A 68 -16.107 19.875 -0.232 1.00 0.00 O
136
+ ATOM 134 N LEU A 69 -14.352 21.051 0.488 1.00 0.00 N
137
+ ATOM 135 CA LEU A 69 -13.421 20.190 -0.208 1.00 0.00 C
138
+ ATOM 136 CB LEU A 69 -11.991 20.784 -0.171 1.00 0.00 C
139
+ ATOM 137 C LEU A 69 -13.465 18.791 0.349 1.00 0.00 C
140
+ ATOM 138 O LEU A 69 -13.356 17.799 -0.399 1.00 0.00 O
141
+ ATOM 139 N LYS A 70 -13.601 18.672 1.652 1.00 0.00 N
142
+ ATOM 140 CA LYS A 70 -13.729 17.362 2.262 1.00 0.00 C
143
+ ATOM 141 CB LYS A 70 -13.639 17.415 3.777 1.00 0.00 C
144
+ ATOM 142 C LYS A 70 -15.025 16.662 1.829 1.00 0.00 C
145
+ ATOM 143 O LYS A 70 -15.037 15.495 1.424 1.00 0.00 O
146
+ ATOM 144 N LYS A 71 -16.152 17.368 1.871 1.00 0.00 N
147
+ ATOM 145 CA LYS A 71 -17.421 16.759 1.466 1.00 0.00 C
148
+ ATOM 146 CB LYS A 71 -18.576 17.694 1.832 1.00 0.00 C
149
+ ATOM 147 C LYS A 71 -17.394 16.353 -0.012 1.00 0.00 C
150
+ ATOM 148 O LYS A 71 -17.958 15.323 -0.358 1.00 0.00 O
151
+ ATOM 149 N GLU A 72 -16.796 17.159 -0.860 1.00 0.00 N
152
+ ATOM 150 CA GLU A 72 -16.701 16.806 -2.262 1.00 0.00 C
153
+ ATOM 151 CB GLU A 72 -16.025 17.916 -3.064 1.00 0.00 C
154
+ ATOM 152 C GLU A 72 -15.959 15.495 -2.475 1.00 0.00 C
155
+ ATOM 153 O GLU A 72 -16.239 14.825 -3.474 1.00 0.00 O
156
+ ATOM 154 N LYS A 73 -15.043 15.139 -1.589 1.00 0.00 N
157
+ ATOM 155 CA LYS A 73 -14.244 13.928 -1.666 1.00 0.00 C
158
+ ATOM 156 CB LYS A 73 -12.790 14.191 -1.279 1.00 0.00 C
159
+ ATOM 157 C LYS A 73 -14.885 12.823 -0.810 1.00 0.00 C
160
+ ATOM 158 O LYS A 73 -14.334 11.732 -0.639 1.00 0.00 O
161
+ ATOM 159 N GLY A 74 -16.077 13.044 -0.279 1.00 0.00 N
162
+ ATOM 160 CA GLY A 74 -16.752 12.057 0.531 1.00 0.00 C
163
+ ATOM 161 C GLY A 74 -16.220 11.817 1.937 1.00 0.00 C
164
+ ATOM 162 O GLY A 74 -16.577 10.749 2.485 1.00 0.00 O
165
+ ATOM 163 N LEU A 75 -15.494 12.793 2.472 1.00 0.00 N
166
+ ATOM 164 CA LEU A 75 -14.840 12.798 3.791 1.00 0.00 C
167
+ ATOM 165 CB LEU A 75 -13.307 12.989 3.652 1.00 0.00 C
168
+ ATOM 166 C LEU A 75 -15.429 13.866 4.700 1.00 0.00 C
169
+ ATOM 167 O LEU A 75 -16.185 14.761 4.254 1.00 0.00 O
170
+ ATOM 168 N PHE A 76 -15.104 13.794 5.989 1.00 0.00 N
171
+ ATOM 169 CA PHE A 76 -15.675 14.558 7.079 1.00 0.00 C
172
+ ATOM 170 CB PHE A 76 -16.178 13.661 8.210 1.00 0.00 C
173
+ ATOM 171 C PHE A 76 -14.598 15.451 7.691 1.00 0.00 C
174
+ ATOM 172 O PHE A 76 -13.476 14.934 7.600 1.00 0.00 O
175
+ TER 173 PHE A 76
176
+ ENDMDL
177
+ END
structures/2a3d_5beads.pdb ADDED
@@ -0,0 +1,364 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ MODEL 0
2
+ ATOM 0 N MET A 1 55.881 8.038 16.840 1.00 0.00 N
3
+ ATOM 1 CA MET A 1 56.203 9.492 16.942 1.00 0.00 C
4
+ ATOM 2 CB MET A 1 57.407 9.574 17.888 1.00 0.00 C
5
+ ATOM 3 C MET A 1 56.556 10.053 15.560 1.00 0.00 C
6
+ ATOM 4 O MET A 1 56.095 9.567 14.547 1.00 0.00 O
7
+ ATOM 5 N GLY A 2 57.369 11.073 15.512 1.00 0.00 N
8
+ ATOM 6 CA GLY A 2 57.749 11.663 14.196 1.00 0.00 C
9
+ ATOM 7 C GLY A 2 58.308 10.568 13.285 1.00 0.00 C
10
+ ATOM 8 O GLY A 2 58.266 10.673 12.075 1.00 0.00 O
11
+ ATOM 9 N SER A 3 58.831 9.517 13.855 1.00 0.00 N
12
+ ATOM 10 CA SER A 3 59.391 8.417 13.018 1.00 0.00 C
13
+ ATOM 11 CB SER A 3 59.862 7.359 14.015 1.00 0.00 C
14
+ ATOM 12 C SER A 3 58.303 7.847 12.104 1.00 0.00 C
15
+ ATOM 13 O SER A 3 58.435 7.837 10.897 1.00 0.00 O
16
+ ATOM 14 N TRP A 4 57.228 7.374 12.672 1.00 0.00 N
17
+ ATOM 15 CA TRP A 4 56.131 6.807 11.835 1.00 0.00 C
18
+ ATOM 16 CB TRP A 4 55.138 6.215 12.835 1.00 0.00 C
19
+ ATOM 17 C TRP A 4 55.463 7.911 11.006 1.00 0.00 C
20
+ ATOM 18 O TRP A 4 54.683 7.640 10.116 1.00 0.00 O
21
+ ATOM 19 N ALA A 5 55.759 9.153 11.288 1.00 0.00 N
22
+ ATOM 20 CA ALA A 5 55.134 10.261 10.511 1.00 0.00 C
23
+ ATOM 21 CB ALA A 5 55.523 11.536 11.259 1.00 0.00 C
24
+ ATOM 22 C ALA A 5 55.687 10.286 9.083 1.00 0.00 C
25
+ ATOM 23 O ALA A 5 54.957 10.467 8.128 1.00 0.00 O
26
+ ATOM 24 N GLU A 6 56.971 10.107 8.929 1.00 0.00 N
27
+ ATOM 25 CA GLU A 6 57.568 10.122 7.562 1.00 0.00 C
28
+ ATOM 26 CB GLU A 6 59.069 10.303 7.789 1.00 0.00 C
29
+ ATOM 27 C GLU A 6 57.289 8.798 6.845 1.00 0.00 C
30
+ ATOM 28 O GLU A 6 57.137 8.754 5.640 1.00 0.00 O
31
+ ATOM 29 N PHE A 7 57.221 7.718 7.575 1.00 0.00 N
32
+ ATOM 30 CA PHE A 7 56.952 6.399 6.932 1.00 0.00 C
33
+ ATOM 31 CB PHE A 7 57.048 5.380 8.067 1.00 0.00 C
34
+ ATOM 32 C PHE A 7 55.552 6.387 6.313 1.00 0.00 C
35
+ ATOM 33 O PHE A 7 55.295 5.695 5.348 1.00 0.00 O
36
+ ATOM 34 N LYS A 8 54.644 7.148 6.860 1.00 0.00 N
37
+ ATOM 35 CA LYS A 8 53.261 7.179 6.301 1.00 0.00 C
38
+ ATOM 36 CB LYS A 8 52.414 7.864 7.374 1.00 0.00 C
39
+ ATOM 37 C LYS A 8 53.236 7.985 5.000 1.00 0.00 C
40
+ ATOM 38 O LYS A 8 52.484 7.693 4.091 1.00 0.00 O
41
+ ATOM 39 N GLN A 9 54.053 8.999 4.902 1.00 0.00 N
42
+ ATOM 40 CA GLN A 9 54.074 9.821 3.658 1.00 0.00 C
43
+ ATOM 41 CB GLN A 9 54.941 11.033 3.997 1.00 0.00 C
44
+ ATOM 42 C GLN A 9 54.693 9.021 2.508 1.00 0.00 C
45
+ ATOM 43 O GLN A 9 54.452 9.293 1.349 1.00 0.00 O
46
+ ATOM 44 N ARG A 10 55.490 8.035 2.820 1.00 0.00 N
47
+ ATOM 45 CA ARG A 10 56.124 7.219 1.744 1.00 0.00 C
48
+ ATOM 46 CB ARG A 10 57.262 6.468 2.435 1.00 0.00 C
49
+ ATOM 47 C ARG A 10 55.108 6.234 1.160 1.00 0.00 C
50
+ ATOM 48 O ARG A 10 55.005 6.074 -0.039 1.00 0.00 O
51
+ ATOM 49 N LEU A 11 54.355 5.576 1.999 1.00 0.00 N
52
+ ATOM 50 CA LEU A 11 53.344 4.602 1.492 1.00 0.00 C
53
+ ATOM 51 CB LEU A 11 52.628 4.096 2.751 1.00 0.00 C
54
+ ATOM 52 C LEU A 11 52.363 5.306 0.549 1.00 0.00 C
55
+ ATOM 53 O LEU A 11 51.837 4.715 -0.374 1.00 0.00 O
56
+ ATOM 54 N ALA A 12 52.119 6.569 0.766 1.00 0.00 N
57
+ ATOM 55 CA ALA A 12 51.180 7.308 -0.125 1.00 0.00 C
58
+ ATOM 56 CB ALA A 12 50.770 8.548 0.670 1.00 0.00 C
59
+ ATOM 57 C ALA A 12 51.895 7.707 -1.418 1.00 0.00 C
60
+ ATOM 58 O ALA A 12 51.288 7.836 -2.463 1.00 0.00 O
61
+ ATOM 59 N ALA A 13 53.185 7.898 -1.355 1.00 0.00 N
62
+ ATOM 60 CA ALA A 13 53.944 8.284 -2.578 1.00 0.00 C
63
+ ATOM 61 CB ALA A 13 55.377 8.513 -2.101 1.00 0.00 C
64
+ ATOM 62 C ALA A 13 53.894 7.152 -3.608 1.00 0.00 C
65
+ ATOM 63 O ALA A 13 53.899 7.385 -4.800 1.00 0.00 O
66
+ ATOM 64 N ILE A 14 53.842 5.928 -3.157 1.00 0.00 N
67
+ ATOM 65 CA ILE A 14 53.787 4.786 -4.114 1.00 0.00 C
68
+ ATOM 66 CB ILE A 14 54.246 3.564 -3.314 1.00 0.00 C
69
+ ATOM 67 C ILE A 14 52.355 4.585 -4.622 1.00 0.00 C
70
+ ATOM 68 O ILE A 14 52.119 3.834 -5.543 1.00 0.00 O
71
+ ATOM 69 N LYS A 15 51.393 5.241 -4.029 1.00 0.00 N
72
+ ATOM 70 CA LYS A 15 49.986 5.067 -4.492 1.00 0.00 C
73
+ ATOM 71 CB LYS A 15 49.123 5.620 -3.359 1.00 0.00 C
74
+ ATOM 72 C LYS A 15 49.739 5.851 -5.785 1.00 0.00 C
75
+ ATOM 73 O LYS A 15 48.944 5.460 -6.616 1.00 0.00 O
76
+ ATOM 74 N THR A 16 50.407 6.957 -5.960 1.00 0.00 N
77
+ ATOM 75 CA THR A 16 50.196 7.763 -7.200 1.00 0.00 C
78
+ ATOM 76 CB THR A 16 50.600 9.188 -6.816 1.00 0.00 C
79
+ ATOM 77 C THR A 16 51.080 7.245 -8.340 1.00 0.00 C
80
+ ATOM 78 O THR A 16 50.621 7.020 -9.444 1.00 0.00 O
81
+ ATOM 79 N ARG A 17 52.345 7.058 -8.083 1.00 0.00 N
82
+ ATOM 80 CA ARG A 17 53.259 6.562 -9.154 1.00 0.00 C
83
+ ATOM 81 CB ARG A 17 54.605 6.353 -8.459 1.00 0.00 C
84
+ ATOM 82 C ARG A 17 52.737 5.242 -9.729 1.00 0.00 C
85
+ ATOM 83 O ARG A 17 52.629 5.072 -10.931 1.00 0.00 O
86
+ ATOM 84 N LEU A 18 52.409 4.306 -8.883 1.00 0.00 N
87
+ ATOM 85 CA LEU A 18 51.892 3.005 -9.386 1.00 0.00 C
88
+ ATOM 86 CB LEU A 18 51.857 2.086 -8.167 1.00 0.00 C
89
+ ATOM 87 C LEU A 18 50.493 3.177 -9.985 1.00 0.00 C
90
+ ATOM 88 O LEU A 18 49.958 2.274 -10.598 1.00 0.00 O
91
+ ATOM 89 N GLN A 19 49.897 4.329 -9.829 1.00 0.00 N
92
+ ATOM 90 CA GLN A 19 48.545 4.545 -10.412 1.00 0.00 C
93
+ ATOM 91 CB GLN A 19 48.062 5.872 -9.826 1.00 0.00 C
94
+ ATOM 92 C GLN A 19 48.657 4.635 -11.937 1.00 0.00 C
95
+ ATOM 93 O GLN A 19 47.694 4.445 -12.654 1.00 0.00 O
96
+ ATOM 94 N ALA A 20 49.832 4.923 -12.438 1.00 0.00 N
97
+ ATOM 95 CA ALA A 20 50.012 5.023 -13.915 1.00 0.00 C
98
+ ATOM 96 CB ALA A 20 51.008 6.166 -14.115 1.00 0.00 C
99
+ ATOM 97 C ALA A 20 50.578 3.712 -14.472 1.00 0.00 C
100
+ ATOM 98 O ALA A 20 49.875 2.943 -15.096 1.00 0.00 O
101
+ ATOM 99 N LEU A 21 51.848 3.454 -14.257 1.00 0.00 N
102
+ ATOM 100 CA LEU A 21 52.468 2.202 -14.772 1.00 0.00 C
103
+ ATOM 101 CB LEU A 21 51.697 1.059 -14.108 1.00 0.00 C
104
+ ATOM 102 C LEU A 21 52.395 2.147 -16.299 1.00 0.00 C
105
+ ATOM 103 O LEU A 21 52.689 1.135 -16.904 1.00 0.00 O
106
+ ATOM 104 N GLY A 22 52.069 3.244 -16.934 1.00 0.00 N
107
+ ATOM 105 CA GLY A 22 52.058 3.253 -18.417 1.00 0.00 C
108
+ ATOM 106 C GLY A 22 53.522 3.235 -18.834 1.00 0.00 C
109
+ ATOM 107 O GLY A 22 53.913 2.606 -19.796 1.00 0.00 O
110
+ ATOM 108 N GLY A 23 54.339 3.900 -18.059 1.00 0.00 N
111
+ ATOM 109 CA GLY A 23 55.794 3.916 -18.323 1.00 0.00 C
112
+ ATOM 110 C GLY A 23 56.379 2.657 -17.688 1.00 0.00 C
113
+ ATOM 111 O GLY A 23 57.276 2.037 -18.217 1.00 0.00 O
114
+ ATOM 112 N SER A 24 55.834 2.285 -16.556 1.00 0.00 N
115
+ ATOM 113 CA SER A 24 56.276 1.058 -15.823 1.00 0.00 C
116
+ ATOM 114 CB SER A 24 55.716 -0.114 -16.633 1.00 0.00 C
117
+ ATOM 115 C SER A 24 57.803 0.965 -15.702 1.00 0.00 C
118
+ ATOM 116 O SER A 24 58.371 1.310 -14.686 1.00 0.00 O
119
+ ATOM 117 N GLU A 25 58.457 0.477 -16.722 1.00 0.00 N
120
+ ATOM 118 CA GLU A 25 59.951 0.322 -16.696 1.00 0.00 C
121
+ ATOM 119 CB GLU A 25 60.362 0.296 -18.169 1.00 0.00 C
122
+ ATOM 120 C GLU A 25 60.643 1.489 -15.974 1.00 0.00 C
123
+ ATOM 121 O GLU A 25 61.535 1.289 -15.176 1.00 0.00 O
124
+ ATOM 122 N ALA A 26 60.246 2.701 -16.246 1.00 0.00 N
125
+ ATOM 123 CA ALA A 26 60.894 3.864 -15.565 1.00 0.00 C
126
+ ATOM 124 CB ALA A 26 60.906 4.976 -16.614 1.00 0.00 C
127
+ ATOM 125 C ALA A 26 60.084 4.298 -14.335 1.00 0.00 C
128
+ ATOM 126 O ALA A 26 60.483 5.179 -13.598 1.00 0.00 O
129
+ ATOM 127 N GLU A 27 58.945 3.701 -14.118 1.00 0.00 N
130
+ ATOM 128 CA GLU A 27 58.099 4.086 -12.952 1.00 0.00 C
131
+ ATOM 129 CB GLU A 27 56.669 3.909 -13.463 1.00 0.00 C
132
+ ATOM 130 C GLU A 27 58.351 3.164 -11.751 1.00 0.00 C
133
+ ATOM 131 O GLU A 27 58.971 3.540 -10.764 1.00 0.00 O
134
+ ATOM 132 N LEU A 28 57.864 1.956 -11.813 1.00 0.00 N
135
+ ATOM 133 CA LEU A 28 58.060 1.034 -10.666 1.00 0.00 C
136
+ ATOM 134 CB LEU A 28 56.934 0.007 -10.757 1.00 0.00 C
137
+ ATOM 135 C LEU A 28 59.445 0.372 -10.700 1.00 0.00 C
138
+ ATOM 136 O LEU A 28 59.704 -0.570 -9.977 1.00 0.00 O
139
+ ATOM 137 N ALA A 29 60.359 0.884 -11.482 1.00 0.00 N
140
+ ATOM 138 CA ALA A 29 61.727 0.306 -11.472 1.00 0.00 C
141
+ ATOM 139 CB ALA A 29 62.431 0.887 -12.699 1.00 0.00 C
142
+ ATOM 140 C ALA A 29 62.385 0.789 -10.182 1.00 0.00 C
143
+ ATOM 141 O ALA A 29 62.945 0.026 -9.411 1.00 0.00 O
144
+ ATOM 142 N ALA A 30 62.263 2.064 -9.923 1.00 0.00 N
145
+ ATOM 143 CA ALA A 30 62.817 2.624 -8.669 1.00 0.00 C
146
+ ATOM 144 CB ALA A 30 62.624 4.136 -8.782 1.00 0.00 C
147
+ ATOM 145 C ALA A 30 62.013 2.059 -7.501 1.00 0.00 C
148
+ ATOM 146 O ALA A 30 62.509 1.922 -6.401 1.00 0.00 O
149
+ ATOM 147 N PHE A 31 60.770 1.701 -7.742 1.00 0.00 N
150
+ ATOM 148 CA PHE A 31 59.938 1.108 -6.646 1.00 0.00 C
151
+ ATOM 149 CB PHE A 31 58.721 0.515 -7.348 1.00 0.00 C
152
+ ATOM 150 C PHE A 31 60.719 -0.015 -5.959 1.00 0.00 C
153
+ ATOM 151 O PHE A 31 60.916 -0.010 -4.763 1.00 0.00 O
154
+ ATOM 152 N GLU A 32 61.166 -0.981 -6.723 1.00 0.00 N
155
+ ATOM 153 CA GLU A 32 61.940 -2.113 -6.133 1.00 0.00 C
156
+ ATOM 154 CB GLU A 32 62.524 -2.865 -7.329 1.00 0.00 C
157
+ ATOM 155 C GLU A 32 63.057 -1.570 -5.244 1.00 0.00 C
158
+ ATOM 156 O GLU A 32 63.296 -2.062 -4.160 1.00 0.00 O
159
+ ATOM 157 N LYS A 33 63.735 -0.547 -5.688 1.00 0.00 N
160
+ ATOM 158 CA LYS A 33 64.824 0.030 -4.849 1.00 0.00 C
161
+ ATOM 159 CB LYS A 33 65.421 1.157 -5.692 1.00 0.00 C
162
+ ATOM 160 C LYS A 33 64.238 0.583 -3.542 1.00 0.00 C
163
+ ATOM 161 O LYS A 33 64.944 0.803 -2.577 1.00 0.00 O
164
+ ATOM 162 N GLU A 34 62.949 0.809 -3.506 1.00 0.00 N
165
+ ATOM 163 CA GLU A 34 62.315 1.347 -2.267 1.00 0.00 C
166
+ ATOM 164 CB GLU A 34 60.991 1.952 -2.733 1.00 0.00 C
167
+ ATOM 165 C GLU A 34 62.066 0.219 -1.261 1.00 0.00 C
168
+ ATOM 166 O GLU A 34 62.701 0.155 -0.228 1.00 0.00 O
169
+ ATOM 167 N ILE A 35 61.137 -0.661 -1.554 1.00 0.00 N
170
+ ATOM 168 CA ILE A 35 60.830 -1.797 -0.601 1.00 0.00 C
171
+ ATOM 169 CB ILE A 35 60.011 -2.896 -1.344 1.00 0.00 C
172
+ ATOM 170 C ILE A 35 62.129 -2.406 -0.054 1.00 0.00 C
173
+ ATOM 171 O ILE A 35 62.165 -2.926 1.044 1.00 0.00 O
174
+ ATOM 172 N ALA A 36 63.201 -2.333 -0.797 1.00 0.00 N
175
+ ATOM 173 CA ALA A 36 64.488 -2.892 -0.293 1.00 0.00 C
176
+ ATOM 174 CB ALA A 36 65.474 -2.738 -1.452 1.00 0.00 C
177
+ ATOM 175 C ALA A 36 64.947 -2.079 0.919 1.00 0.00 C
178
+ ATOM 176 O ALA A 36 65.306 -2.620 1.949 1.00 0.00 O
179
+ ATOM 177 N ALA A 37 64.918 -0.779 0.808 1.00 0.00 N
180
+ ATOM 178 CA ALA A 37 65.331 0.075 1.956 1.00 0.00 C
181
+ ATOM 179 CB ALA A 37 65.530 1.470 1.361 1.00 0.00 C
182
+ ATOM 180 C ALA A 37 64.228 0.097 3.024 1.00 0.00 C
183
+ ATOM 181 O ALA A 37 64.382 0.692 4.072 1.00 0.00 O
184
+ ATOM 182 N PHE A 38 63.116 -0.548 2.770 1.00 0.00 N
185
+ ATOM 183 CA PHE A 38 62.015 -0.562 3.774 1.00 0.00 C
186
+ ATOM 184 CB PHE A 38 60.767 -0.961 2.987 1.00 0.00 C
187
+ ATOM 185 C PHE A 38 62.313 -1.597 4.860 1.00 0.00 C
188
+ ATOM 186 O PHE A 38 61.803 -1.522 5.957 1.00 0.00 O
189
+ ATOM 187 N GLU A 39 63.138 -2.561 4.563 1.00 0.00 N
190
+ ATOM 188 CA GLU A 39 63.469 -3.595 5.583 1.00 0.00 C
191
+ ATOM 189 CB GLU A 39 63.734 -4.873 4.785 1.00 0.00 C
192
+ ATOM 190 C GLU A 39 64.719 -3.175 6.360 1.00 0.00 C
193
+ ATOM 191 O GLU A 39 64.726 -3.142 7.576 1.00 0.00 O
194
+ ATOM 192 N SER A 40 65.776 -2.850 5.667 1.00 0.00 N
195
+ ATOM 193 CA SER A 40 67.023 -2.428 6.367 1.00 0.00 C
196
+ ATOM 194 CB SER A 40 68.011 -2.094 5.249 1.00 0.00 C
197
+ ATOM 195 C SER A 40 66.754 -1.193 7.233 1.00 0.00 C
198
+ ATOM 196 O SER A 40 67.381 -0.988 8.254 1.00 0.00 O
199
+ ATOM 197 N GLU A 41 65.826 -0.368 6.833 1.00 0.00 N
200
+ ATOM 198 CA GLU A 41 65.518 0.855 7.630 1.00 0.00 C
201
+ ATOM 199 CB GLU A 41 64.973 1.861 6.615 1.00 0.00 C
202
+ ATOM 200 C GLU A 41 64.465 0.546 8.699 1.00 0.00 C
203
+ ATOM 201 O GLU A 41 64.482 1.108 9.775 1.00 0.00 O
204
+ ATOM 202 N LEU A 42 63.551 -0.344 8.410 1.00 0.00 N
205
+ ATOM 203 CA LEU A 42 62.491 -0.696 9.408 1.00 0.00 C
206
+ ATOM 204 CB LEU A 42 61.867 -1.990 8.880 1.00 0.00 C
207
+ ATOM 205 C LEU A 42 63.099 -0.923 10.795 1.00 0.00 C
208
+ ATOM 206 O LEU A 42 62.479 -0.656 11.806 1.00 0.00 O
209
+ ATOM 207 N GLN A 43 64.307 -1.409 10.854 1.00 0.00 N
210
+ ATOM 208 CA GLN A 43 64.947 -1.646 12.179 1.00 0.00 C
211
+ ATOM 209 CB GLN A 43 65.811 -2.891 11.985 1.00 0.00 C
212
+ ATOM 210 C GLN A 43 65.815 -0.447 12.571 1.00 0.00 C
213
+ ATOM 211 O GLN A 43 66.006 -0.161 13.736 1.00 0.00 O
214
+ ATOM 212 N ALA A 44 66.349 0.249 11.606 1.00 0.00 N
215
+ ATOM 213 CA ALA A 44 67.214 1.422 11.923 1.00 0.00 C
216
+ ATOM 214 CB ALA A 44 68.283 1.422 10.833 1.00 0.00 C
217
+ ATOM 215 C ALA A 44 66.415 2.731 11.882 1.00 0.00 C
218
+ ATOM 216 O ALA A 44 66.976 3.805 11.961 1.00 0.00 O
219
+ ATOM 217 N TYR A 45 65.116 2.661 11.753 1.00 0.00 N
220
+ ATOM 218 CA TYR A 45 64.317 3.921 11.702 1.00 0.00 C
221
+ ATOM 219 CB TYR A 45 62.982 3.535 11.026 1.00 0.00 C
222
+ ATOM 220 C TYR A 45 64.120 4.497 13.115 1.00 0.00 C
223
+ ATOM 221 O TYR A 45 63.758 5.645 13.281 1.00 0.00 O
224
+ ATOM 222 N LYS A 46 64.360 3.711 14.129 1.00 0.00 N
225
+ ATOM 223 CA LYS A 46 64.194 4.215 15.520 1.00 0.00 C
226
+ ATOM 224 CB LYS A 46 62.698 4.084 15.813 1.00 0.00 C
227
+ ATOM 225 C LYS A 46 65.008 3.336 16.463 1.00 0.00 C
228
+ ATOM 226 O LYS A 46 65.917 2.647 16.043 1.00 0.00 O
229
+ ATOM 227 N GLY A 47 64.689 3.325 17.730 1.00 0.00 N
230
+ ATOM 228 CA GLY A 47 65.454 2.453 18.667 1.00 0.00 C
231
+ ATOM 229 C GLY A 47 65.424 1.026 18.116 1.00 0.00 C
232
+ ATOM 230 O GLY A 47 66.442 0.380 17.977 1.00 0.00 O
233
+ ATOM 231 N LYS A 48 64.248 0.557 17.778 1.00 0.00 N
234
+ ATOM 232 CA LYS A 48 64.080 -0.816 17.201 1.00 0.00 C
235
+ ATOM 233 CB LYS A 48 64.823 -1.788 18.127 1.00 0.00 C
236
+ ATOM 234 C LYS A 48 62.591 -1.160 17.154 1.00 0.00 C
237
+ ATOM 235 O LYS A 48 62.158 -2.169 17.673 1.00 0.00 O
238
+ ATOM 236 N GLY A 49 61.803 -0.319 16.540 1.00 0.00 N
239
+ ATOM 237 CA GLY A 49 60.339 -0.586 16.464 1.00 0.00 C
240
+ ATOM 238 C GLY A 49 60.090 -1.910 15.743 1.00 0.00 C
241
+ ATOM 239 O GLY A 49 59.978 -1.959 14.534 1.00 0.00 O
242
+ ATOM 240 N ASN A 50 59.998 -2.985 16.477 1.00 0.00 N
243
+ ATOM 241 CA ASN A 50 59.759 -4.308 15.834 1.00 0.00 C
244
+ ATOM 242 CB ASN A 50 60.356 -5.331 16.800 1.00 0.00 C
245
+ ATOM 243 C ASN A 50 58.255 -4.554 15.653 1.00 0.00 C
246
+ ATOM 244 O ASN A 50 57.825 -4.915 14.577 1.00 0.00 O
247
+ ATOM 245 N PRO A 51 57.497 -4.347 16.703 1.00 0.00 N
248
+ ATOM 246 CA PRO A 51 56.034 -4.549 16.621 1.00 0.00 C
249
+ ATOM 247 CB PRO A 51 55.608 -4.687 18.078 1.00 0.00 C
250
+ ATOM 248 C PRO A 51 55.378 -3.326 15.972 1.00 0.00 C
251
+ ATOM 249 O PRO A 51 54.498 -3.441 15.135 1.00 0.00 O
252
+ ATOM 250 N GLU A 52 55.808 -2.152 16.352 1.00 0.00 N
253
+ ATOM 251 CA GLU A 52 55.225 -0.912 15.768 1.00 0.00 C
254
+ ATOM 252 CB GLU A 52 56.113 0.222 16.282 1.00 0.00 C
255
+ ATOM 253 C GLU A 52 55.264 -0.974 14.240 1.00 0.00 C
256
+ ATOM 254 O GLU A 52 54.240 -1.023 13.588 1.00 0.00 O
257
+ ATOM 255 N VAL A 53 56.434 -0.969 13.657 1.00 0.00 N
258
+ ATOM 256 CA VAL A 53 56.512 -1.026 12.169 1.00 0.00 C
259
+ ATOM 257 CB VAL A 53 57.964 -0.657 11.827 1.00 0.00 C
260
+ ATOM 258 C VAL A 53 56.146 -2.431 11.664 1.00 0.00 C
261
+ ATOM 259 O VAL A 53 56.015 -2.655 10.477 1.00 0.00 O
262
+ ATOM 260 N GLU A 54 55.973 -3.379 12.552 1.00 0.00 N
263
+ ATOM 261 CA GLU A 54 55.609 -4.757 12.109 1.00 0.00 C
264
+ ATOM 262 CB GLU A 54 55.246 -5.507 13.388 1.00 0.00 C
265
+ ATOM 263 C GLU A 54 54.406 -4.699 11.170 1.00 0.00 C
266
+ ATOM 264 O GLU A 54 54.405 -5.290 10.109 1.00 0.00 O
267
+ ATOM 265 N ALA A 55 53.383 -3.980 11.548 1.00 0.00 N
268
+ ATOM 266 CA ALA A 55 52.186 -3.877 10.664 1.00 0.00 C
269
+ ATOM 267 CB ALA A 55 51.299 -2.815 11.310 1.00 0.00 C
270
+ ATOM 268 C ALA A 55 52.617 -3.438 9.264 1.00 0.00 C
271
+ ATOM 269 O ALA A 55 52.046 -3.843 8.271 1.00 0.00 O
272
+ ATOM 270 N LEU A 56 53.632 -2.620 9.179 1.00 0.00 N
273
+ ATOM 271 CA LEU A 56 54.110 -2.167 7.843 1.00 0.00 C
274
+ ATOM 272 CB LEU A 56 55.046 -0.990 8.123 1.00 0.00 C
275
+ ATOM 273 C LEU A 56 54.863 -3.299 7.134 1.00 0.00 C
276
+ ATOM 274 O LEU A 56 55.260 -3.169 5.994 1.00 0.00 O
277
+ ATOM 275 N ARG A 57 55.058 -4.412 7.792 1.00 0.00 N
278
+ ATOM 276 CA ARG A 57 55.772 -5.543 7.139 1.00 0.00 C
279
+ ATOM 277 CB ARG A 57 56.396 -6.338 8.287 1.00 0.00 C
280
+ ATOM 278 C ARG A 57 54.769 -6.403 6.368 1.00 0.00 C
281
+ ATOM 279 O ARG A 57 55.117 -7.095 5.432 1.00 0.00 O
282
+ ATOM 280 N LYS A 58 53.521 -6.358 6.753 1.00 0.00 N
283
+ ATOM 281 CA LYS A 58 52.491 -7.165 6.040 1.00 0.00 C
284
+ ATOM 282 CB LYS A 58 51.393 -7.408 7.076 1.00 0.00 C
285
+ ATOM 283 C LYS A 58 51.944 -6.373 4.851 1.00 0.00 C
286
+ ATOM 284 O LYS A 58 51.710 -6.911 3.787 1.00 0.00 O
287
+ ATOM 285 N GLU A 59 51.746 -5.094 5.023 1.00 0.00 N
288
+ ATOM 286 CA GLU A 59 51.221 -4.263 3.902 1.00 0.00 C
289
+ ATOM 287 CB GLU A 59 50.887 -2.911 4.534 1.00 0.00 C
290
+ ATOM 288 C GLU A 59 52.297 -4.102 2.825 1.00 0.00 C
291
+ ATOM 289 O GLU A 59 52.051 -4.303 1.653 1.00 0.00 O
292
+ ATOM 290 N ALA A 60 53.490 -3.747 3.217 1.00 0.00 N
293
+ ATOM 291 CA ALA A 60 54.586 -3.578 2.220 1.00 0.00 C
294
+ ATOM 292 CB ALA A 60 55.828 -3.248 3.048 1.00 0.00 C
295
+ ATOM 293 C ALA A 60 54.786 -4.882 1.442 1.00 0.00 C
296
+ ATOM 294 O ALA A 60 55.292 -4.887 0.338 1.00 0.00 O
297
+ ATOM 295 N ALA A 61 54.388 -5.989 2.010 1.00 0.00 N
298
+ ATOM 296 CA ALA A 61 54.550 -7.290 1.301 1.00 0.00 C
299
+ ATOM 297 CB ALA A 61 54.051 -8.346 2.288 1.00 0.00 C
300
+ ATOM 298 C ALA A 61 53.700 -7.297 0.028 1.00 0.00 C
301
+ ATOM 299 O ALA A 61 54.190 -7.538 -1.057 1.00 0.00 O
302
+ ATOM 300 N ALA A 62 52.429 -7.027 0.153 1.00 0.00 N
303
+ ATOM 301 CA ALA A 62 51.548 -7.010 -1.050 1.00 0.00 C
304
+ ATOM 302 CB ALA A 62 50.144 -6.742 -0.508 1.00 0.00 C
305
+ ATOM 303 C ALA A 62 51.982 -5.890 -2.003 1.00 0.00 C
306
+ ATOM 304 O ALA A 62 51.650 -5.894 -3.172 1.00 0.00 O
307
+ ATOM 305 N ILE A 63 52.723 -4.933 -1.512 1.00 0.00 N
308
+ ATOM 306 CA ILE A 63 53.182 -3.814 -2.384 1.00 0.00 C
309
+ ATOM 307 CB ILE A 63 53.696 -2.749 -1.408 1.00 0.00 C
310
+ ATOM 308 C ILE A 63 54.298 -4.293 -3.321 1.00 0.00 C
311
+ ATOM 309 O ILE A 63 54.621 -3.642 -4.293 1.00 0.00 O
312
+ ATOM 310 N ARG A 64 54.889 -5.424 -3.039 1.00 0.00 N
313
+ ATOM 311 CA ARG A 64 55.982 -5.933 -3.919 1.00 0.00 C
314
+ ATOM 312 CB ARG A 64 56.866 -6.776 -3.000 1.00 0.00 C
315
+ ATOM 313 C ARG A 64 55.411 -6.795 -5.051 1.00 0.00 C
316
+ ATOM 314 O ARG A 64 55.692 -6.574 -6.212 1.00 0.00 O
317
+ ATOM 315 N ASP A 65 54.617 -7.777 -4.723 1.00 0.00 N
318
+ ATOM 316 CA ASP A 65 54.037 -8.653 -5.785 1.00 0.00 C
319
+ ATOM 317 CB ASP A 65 53.148 -9.648 -5.038 1.00 0.00 C
320
+ ATOM 318 C ASP A 65 53.207 -7.819 -6.764 1.00 0.00 C
321
+ ATOM 319 O ASP A 65 53.445 -7.819 -7.959 1.00 0.00 O
322
+ ATOM 320 N GLU A 66 52.236 -7.103 -6.270 1.00 0.00 N
323
+ ATOM 321 CA GLU A 66 51.396 -6.266 -7.173 1.00 0.00 C
324
+ ATOM 322 CB GLU A 66 50.528 -5.424 -6.239 1.00 0.00 C
325
+ ATOM 323 C GLU A 66 52.293 -5.370 -8.030 1.00 0.00 C
326
+ ATOM 324 O GLU A 66 51.917 -4.936 -9.102 1.00 0.00 O
327
+ ATOM 325 N LEU A 67 53.479 -5.090 -7.562 1.00 0.00 N
328
+ ATOM 326 CA LEU A 67 54.400 -4.224 -8.345 1.00 0.00 C
329
+ ATOM 327 CB LEU A 67 55.380 -3.664 -7.288 1.00 0.00 C
330
+ ATOM 328 C LEU A 67 55.079 -5.045 -9.457 1.00 0.00 C
331
+ ATOM 329 O LEU A 67 55.620 -4.500 -10.398 1.00 0.00 O
332
+ ATOM 330 N GLN A 68 55.042 -6.347 -9.363 1.00 0.00 N
333
+ ATOM 331 CA GLN A 68 55.677 -7.184 -10.421 1.00 0.00 C
334
+ ATOM 332 CB GLN A 68 55.676 -8.606 -9.858 1.00 0.00 C
335
+ ATOM 333 C GLN A 68 54.856 -7.117 -11.715 1.00 0.00 C
336
+ ATOM 334 O GLN A 68 55.372 -7.312 -12.798 1.00 0.00 O
337
+ ATOM 335 N ALA A 69 53.582 -6.843 -11.614 1.00 0.00 N
338
+ ATOM 336 CA ALA A 69 52.735 -6.765 -12.845 1.00 0.00 C
339
+ ATOM 337 CB ALA A 69 51.311 -7.041 -12.361 1.00 0.00 C
340
+ ATOM 338 C ALA A 69 52.828 -5.367 -13.471 1.00 0.00 C
341
+ ATOM 339 O ALA A 69 52.862 -5.212 -14.675 1.00 0.00 O
342
+ ATOM 340 N TYR A 70 52.876 -4.353 -12.653 1.00 0.00 N
343
+ ATOM 341 CA TYR A 70 52.973 -2.950 -13.174 1.00 0.00 C
344
+ ATOM 342 CB TYR A 70 53.123 -2.089 -11.916 1.00 0.00 C
345
+ ATOM 343 C TYR A 70 54.190 -2.806 -14.092 1.00 0.00 C
346
+ ATOM 344 O TYR A 70 54.268 -1.895 -14.893 1.00 0.00 O
347
+ ATOM 345 N ARG A 71 55.138 -3.695 -13.987 1.00 0.00 N
348
+ ATOM 346 CA ARG A 71 56.343 -3.603 -14.860 1.00 0.00 C
349
+ ATOM 347 CB ARG A 71 57.122 -4.892 -14.597 1.00 0.00 C
350
+ ATOM 348 C ARG A 71 55.925 -3.521 -16.332 1.00 0.00 C
351
+ ATOM 349 O ARG A 71 56.600 -2.922 -17.146 1.00 0.00 O
352
+ ATOM 350 N HIS A 72 54.817 -4.118 -16.681 1.00 0.00 N
353
+ ATOM 351 CA HIS A 72 54.361 -4.074 -18.102 1.00 0.00 C
354
+ ATOM 352 CB HIS A 72 54.864 -5.380 -18.718 1.00 0.00 C
355
+ ATOM 353 C HIS A 72 52.832 -4.003 -18.170 1.00 0.00 C
356
+ ATOM 354 O HIS A 72 52.194 -4.800 -18.827 1.00 0.00 O
357
+ ATOM 355 N ASN A 73 52.240 -3.056 -17.496 1.00 0.00 N
358
+ ATOM 356 CA ASN A 73 50.754 -2.938 -17.526 1.00 0.00 C
359
+ ATOM 357 CB ASN A 73 50.349 -2.680 -16.075 1.00 0.00 C
360
+ ATOM 358 C ASN A 73 50.333 -1.766 -18.417 1.00 0.00 C
361
+ ATOM 359 O ASN A 73 49.248 -1.249 -18.209 1.00 0.00 O
362
+ TER 360 ASN A 73
363
+ ENDMDL
364
+ END
structures/2ci2_5beads.pdb ADDED
@@ -0,0 +1,326 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ MODEL 0
2
+ ATOM 0 N ASN A 19 13.270 -37.510 4.242 1.00 0.00 N
3
+ ATOM 1 CA ASN A 19 11.912 -37.066 4.598 1.00 0.00 C
4
+ ATOM 2 CB ASN A 19 11.343 -37.905 5.734 1.00 0.00 C
5
+ ATOM 3 C ASN A 19 11.944 -35.563 4.896 1.00 0.00 C
6
+ ATOM 4 O ASN A 19 12.868 -34.849 4.470 1.00 0.00 O
7
+ ATOM 5 N LEU A 20 10.919 -35.133 5.612 1.00 0.00 N
8
+ ATOM 6 CA LEU A 20 10.764 -33.739 6.038 1.00 0.00 C
9
+ ATOM 7 CB LEU A 20 11.424 -32.834 4.989 1.00 0.00 C
10
+ ATOM 8 C LEU A 20 9.309 -33.373 6.344 1.00 0.00 C
11
+ ATOM 9 O LEU A 20 8.391 -33.655 5.556 1.00 0.00 O
12
+ ATOM 10 N LYS A 21 9.142 -32.770 7.517 1.00 0.00 N
13
+ ATOM 11 CA LYS A 21 7.845 -32.224 7.934 1.00 0.00 C
14
+ ATOM 12 CB LYS A 21 7.274 -32.526 9.297 1.00 0.00 C
15
+ ATOM 13 C LYS A 21 8.045 -30.702 7.777 1.00 0.00 C
16
+ ATOM 14 O LYS A 21 8.932 -30.143 8.433 1.00 0.00 O
17
+ ATOM 15 N THR A 22 7.264 -30.158 6.866 1.00 0.00 N
18
+ ATOM 16 CA THR A 22 7.394 -28.744 6.505 1.00 0.00 C
19
+ ATOM 17 CB THR A 22 7.880 -28.674 4.996 1.00 0.00 C
20
+ ATOM 18 C THR A 22 6.144 -27.915 6.711 1.00 0.00 C
21
+ ATOM 19 O THR A 22 6.231 -26.683 6.537 1.00 0.00 O
22
+ ATOM 20 N GLU A 23 5.058 -28.574 7.079 1.00 0.00 N
23
+ ATOM 21 CA GLU A 23 3.798 -27.838 7.306 1.00 0.00 C
24
+ ATOM 22 CB GLU A 23 3.010 -27.695 6.045 1.00 0.00 C
25
+ ATOM 23 C GLU A 23 2.991 -28.448 8.428 1.00 0.00 C
26
+ ATOM 24 O GLU A 23 2.997 -29.675 8.600 1.00 0.00 O
27
+ ATOM 25 N TRP A 24 2.377 -27.565 9.190 1.00 0.00 N
28
+ ATOM 26 CA TRP A 24 1.619 -27.918 10.393 1.00 0.00 C
29
+ ATOM 27 CB TRP A 24 2.335 -27.417 11.654 1.00 0.00 C
30
+ ATOM 28 C TRP A 24 0.164 -27.440 10.332 1.00 0.00 C
31
+ ATOM 29 O TRP A 24 -0.271 -26.673 11.204 1.00 0.00 O
32
+ ATOM 30 N PRO A 25 -0.557 -27.946 9.346 1.00 0.00 N
33
+ ATOM 31 CA PRO A 25 -1.975 -27.643 9.147 1.00 0.00 C
34
+ ATOM 32 CB PRO A 25 -2.427 -28.583 8.029 1.00 0.00 C
35
+ ATOM 33 C PRO A 25 -2.813 -27.859 10.394 1.00 0.00 C
36
+ ATOM 34 O PRO A 25 -3.818 -27.153 10.578 1.00 0.00 O
37
+ ATOM 35 N GLU A 26 -2.423 -28.821 11.209 1.00 0.00 N
38
+ ATOM 36 CA GLU A 26 -3.144 -29.188 12.429 1.00 0.00 C
39
+ ATOM 37 CB GLU A 26 -2.567 -30.438 13.098 1.00 0.00 C
40
+ ATOM 38 C GLU A 26 -3.049 -28.085 13.478 1.00 0.00 C
41
+ ATOM 39 O GLU A 26 -3.689 -28.202 14.531 1.00 0.00 O
42
+ ATOM 40 N LEU A 27 -2.238 -27.086 13.191 1.00 0.00 N
43
+ ATOM 41 CA LEU A 27 -1.984 -26.008 14.143 1.00 0.00 C
44
+ ATOM 42 CB LEU A 27 -0.479 -25.685 14.144 1.00 0.00 C
45
+ ATOM 43 C LEU A 27 -2.874 -24.787 14.000 1.00 0.00 C
46
+ ATOM 44 O LEU A 27 -2.836 -24.019 14.989 1.00 0.00 O
47
+ ATOM 45 N VAL A 28 -3.593 -24.621 12.902 1.00 0.00 N
48
+ ATOM 46 CA VAL A 28 -4.454 -23.429 12.783 1.00 0.00 C
49
+ ATOM 47 CB VAL A 28 -5.161 -23.338 11.436 1.00 0.00 C
50
+ ATOM 48 C VAL A 28 -5.403 -23.380 13.979 1.00 0.00 C
51
+ ATOM 49 O VAL A 28 -6.045 -24.383 14.320 1.00 0.00 O
52
+ ATOM 50 N GLY A 29 -5.433 -22.237 14.631 1.00 0.00 N
53
+ ATOM 51 CA GLY A 29 -6.293 -21.956 15.772 1.00 0.00 C
54
+ ATOM 52 C GLY A 29 -5.701 -22.103 17.154 1.00 0.00 C
55
+ ATOM 53 O GLY A 29 -6.272 -21.579 18.129 1.00 0.00 O
56
+ ATOM 54 N LYS A 30 -4.604 -22.822 17.248 1.00 0.00 N
57
+ ATOM 55 CA LYS A 30 -3.896 -23.079 18.506 1.00 0.00 C
58
+ ATOM 56 CB LYS A 30 -3.026 -24.330 18.393 1.00 0.00 C
59
+ ATOM 57 C LYS A 30 -3.027 -21.887 18.909 1.00 0.00 C
60
+ ATOM 58 O LYS A 30 -2.670 -21.045 18.078 1.00 0.00 O
61
+ ATOM 59 N SER A 31 -2.722 -21.833 20.192 1.00 0.00 N
62
+ ATOM 60 CA SER A 31 -1.879 -20.773 20.760 1.00 0.00 C
63
+ ATOM 61 CB SER A 31 -1.962 -20.751 22.276 1.00 0.00 C
64
+ ATOM 62 C SER A 31 -0.441 -20.978 20.273 1.00 0.00 C
65
+ ATOM 63 O SER A 31 -0.049 -22.057 19.812 1.00 0.00 O
66
+ ATOM 64 N VAL A 32 0.300 -19.886 20.370 1.00 0.00 N
67
+ ATOM 65 CA VAL A 32 1.717 -19.835 20.003 1.00 0.00 C
68
+ ATOM 66 CB VAL A 32 2.268 -18.404 19.983 1.00 0.00 C
69
+ ATOM 67 C VAL A 32 2.491 -20.764 20.945 1.00 0.00 C
70
+ ATOM 68 O VAL A 32 3.425 -21.427 20.495 1.00 0.00 O
71
+ ATOM 69 N GLU A 33 2.078 -20.829 22.191 1.00 0.00 N
72
+ ATOM 70 CA GLU A 33 2.701 -21.664 23.222 1.00 0.00 C
73
+ ATOM 71 CB GLU A 33 2.121 -21.375 24.591 1.00 0.00 C
74
+ ATOM 72 C GLU A 33 2.559 -23.138 22.851 1.00 0.00 C
75
+ ATOM 73 O GLU A 33 3.544 -23.906 22.774 1.00 0.00 O
76
+ ATOM 74 N GLU A 34 1.326 -23.515 22.545 1.00 0.00 N
77
+ ATOM 75 CA GLU A 34 0.995 -24.867 22.108 1.00 0.00 C
78
+ ATOM 76 CB GLU A 34 -0.482 -25.120 21.881 1.00 0.00 C
79
+ ATOM 77 C GLU A 34 1.750 -25.158 20.810 1.00 0.00 C
80
+ ATOM 78 O GLU A 34 2.423 -26.201 20.740 1.00 0.00 O
81
+ ATOM 79 N ALA A 35 1.657 -24.281 19.832 1.00 0.00 N
82
+ ATOM 80 CA ALA A 35 2.301 -24.450 18.528 1.00 0.00 C
83
+ ATOM 81 CB ALA A 35 1.830 -23.345 17.595 1.00 0.00 C
84
+ ATOM 82 C ALA A 35 3.813 -24.601 18.547 1.00 0.00 C
85
+ ATOM 83 O ALA A 35 4.350 -25.396 17.757 1.00 0.00 O
86
+ ATOM 84 N LYS A 36 4.507 -23.894 19.410 1.00 0.00 N
87
+ ATOM 85 CA LYS A 36 5.962 -23.951 19.582 1.00 0.00 C
88
+ ATOM 86 CB LYS A 36 6.434 -23.122 20.776 1.00 0.00 C
89
+ ATOM 87 C LYS A 36 6.380 -25.393 19.932 1.00 0.00 C
90
+ ATOM 88 O LYS A 36 7.258 -26.038 19.349 1.00 0.00 O
91
+ ATOM 89 N LYS A 37 5.723 -25.853 20.976 1.00 0.00 N
92
+ ATOM 90 CA LYS A 37 5.845 -27.168 21.584 1.00 0.00 C
93
+ ATOM 91 CB LYS A 37 4.737 -27.336 22.629 1.00 0.00 C
94
+ ATOM 92 C LYS A 37 5.736 -28.313 20.594 1.00 0.00 C
95
+ ATOM 93 O LYS A 37 6.480 -29.300 20.733 1.00 0.00 O
96
+ ATOM 94 N VAL A 38 4.840 -28.194 19.634 1.00 0.00 N
97
+ ATOM 95 CA VAL A 38 4.604 -29.219 18.615 1.00 0.00 C
98
+ ATOM 96 CB VAL A 38 3.190 -29.150 18.018 1.00 0.00 C
99
+ ATOM 97 C VAL A 38 5.710 -29.152 17.567 1.00 0.00 C
100
+ ATOM 98 O VAL A 38 6.352 -30.174 17.282 1.00 0.00 O
101
+ ATOM 99 N ILE A 39 5.911 -27.960 17.040 1.00 0.00 N
102
+ ATOM 100 CA ILE A 39 6.950 -27.739 16.032 1.00 0.00 C
103
+ ATOM 101 CB ILE A 39 7.012 -26.274 15.505 1.00 0.00 C
104
+ ATOM 102 C ILE A 39 8.308 -28.212 16.538 1.00 0.00 C
105
+ ATOM 103 O ILE A 39 9.023 -28.878 15.765 1.00 0.00 O
106
+ ATOM 104 N LEU A 40 8.657 -27.855 17.757 1.00 0.00 N
107
+ ATOM 105 CA LEU A 40 9.982 -28.217 18.293 1.00 0.00 C
108
+ ATOM 106 CB LEU A 40 10.263 -27.405 19.554 1.00 0.00 C
109
+ ATOM 107 C LEU A 40 10.132 -29.728 18.443 1.00 0.00 C
110
+ ATOM 108 O LEU A 40 11.247 -30.268 18.393 1.00 0.00 O
111
+ ATOM 109 N GLN A 41 9.000 -30.365 18.645 1.00 0.00 N
112
+ ATOM 110 CA GLN A 41 8.891 -31.825 18.774 1.00 0.00 C
113
+ ATOM 111 CB GLN A 41 7.474 -32.234 19.153 1.00 0.00 C
114
+ ATOM 112 C GLN A 41 9.318 -32.433 17.438 1.00 0.00 C
115
+ ATOM 113 O GLN A 41 10.207 -33.288 17.402 1.00 0.00 O
116
+ ATOM 114 N ASP A 42 8.727 -31.943 16.370 1.00 0.00 N
117
+ ATOM 115 CA ASP A 42 8.929 -32.383 14.999 1.00 0.00 C
118
+ ATOM 116 CB ASP A 42 7.739 -32.008 14.101 1.00 0.00 C
119
+ ATOM 117 C ASP A 42 10.168 -31.830 14.286 1.00 0.00 C
120
+ ATOM 118 O ASP A 42 10.572 -32.414 13.266 1.00 0.00 O
121
+ ATOM 119 N LYS A 43 10.612 -30.682 14.732 1.00 0.00 N
122
+ ATOM 120 CA LYS A 43 11.762 -29.988 14.115 1.00 0.00 C
123
+ ATOM 121 CB LYS A 43 11.264 -29.036 13.050 1.00 0.00 C
124
+ ATOM 122 C LYS A 43 12.565 -29.299 15.217 1.00 0.00 C
125
+ ATOM 123 O LYS A 43 12.452 -28.083 15.438 1.00 0.00 O
126
+ ATOM 124 N PRO A 44 13.352 -30.106 15.923 1.00 0.00 N
127
+ ATOM 125 CA PRO A 44 14.183 -29.654 17.033 1.00 0.00 C
128
+ ATOM 126 CB PRO A 44 14.982 -30.902 17.434 1.00 0.00 C
129
+ ATOM 127 C PRO A 44 15.097 -28.476 16.764 1.00 0.00 C
130
+ ATOM 128 O PRO A 44 15.460 -27.793 17.739 1.00 0.00 O
131
+ ATOM 129 N GLU A 45 15.470 -28.229 15.542 1.00 0.00 N
132
+ ATOM 130 CA GLU A 45 16.354 -27.129 15.131 1.00 0.00 C
133
+ ATOM 131 CB GLU A 45 17.248 -27.546 13.952 1.00 0.00 C
134
+ ATOM 132 C GLU A 45 15.625 -25.881 14.626 1.00 0.00 C
135
+ ATOM 133 O GLU A 45 16.271 -24.911 14.173 1.00 0.00 O
136
+ ATOM 134 N ALA A 46 14.296 -25.926 14.640 1.00 0.00 N
137
+ ATOM 135 CA ALA A 46 13.480 -24.810 14.160 1.00 0.00 C
138
+ ATOM 136 CB ALA A 46 12.006 -25.178 14.177 1.00 0.00 C
139
+ ATOM 137 C ALA A 46 13.766 -23.529 14.960 1.00 0.00 C
140
+ ATOM 138 O ALA A 46 13.978 -23.500 16.191 1.00 0.00 O
141
+ ATOM 139 N GLN A 47 13.808 -22.469 14.161 1.00 0.00 N
142
+ ATOM 140 CA GLN A 47 13.934 -21.079 14.630 1.00 0.00 C
143
+ ATOM 141 CB GLN A 47 15.042 -20.280 13.971 1.00 0.00 C
144
+ ATOM 142 C GLN A 47 12.529 -20.488 14.404 1.00 0.00 C
145
+ ATOM 143 O GLN A 47 12.125 -20.297 13.255 1.00 0.00 O
146
+ ATOM 144 N ILE A 48 11.802 -20.339 15.498 1.00 0.00 N
147
+ ATOM 145 CA ILE A 48 10.406 -19.875 15.481 1.00 0.00 C
148
+ ATOM 146 CB ILE A 48 9.587 -20.549 16.640 1.00 0.00 C
149
+ ATOM 147 C ILE A 48 10.296 -18.353 15.480 1.00 0.00 C
150
+ ATOM 148 O ILE A 48 10.807 -17.686 16.389 1.00 0.00 O
151
+ ATOM 149 N ILE A 49 9.612 -17.862 14.459 1.00 0.00 N
152
+ ATOM 150 CA ILE A 49 9.350 -16.429 14.248 1.00 0.00 C
153
+ ATOM 151 CB ILE A 49 9.962 -15.963 12.882 1.00 0.00 C
154
+ ATOM 152 C ILE A 49 7.835 -16.209 14.313 1.00 0.00 C
155
+ ATOM 153 O ILE A 49 7.073 -16.959 13.687 1.00 0.00 O
156
+ ATOM 154 N VAL A 50 7.424 -15.222 15.077 1.00 0.00 N
157
+ ATOM 155 CA VAL A 50 6.021 -14.883 15.315 1.00 0.00 C
158
+ ATOM 156 CB VAL A 50 5.781 -14.853 16.844 1.00 0.00 C
159
+ ATOM 157 C VAL A 50 5.676 -13.527 14.695 1.00 0.00 C
160
+ ATOM 158 O VAL A 50 6.168 -12.524 15.236 1.00 0.00 O
161
+ ATOM 159 N LEU A 51 4.861 -13.525 13.658 1.00 0.00 N
162
+ ATOM 160 CA LEU A 51 4.434 -12.286 13.006 1.00 0.00 C
163
+ ATOM 161 CB LEU A 51 5.085 -12.267 11.629 1.00 0.00 C
164
+ ATOM 162 C LEU A 51 2.903 -12.192 12.917 1.00 0.00 C
165
+ ATOM 163 O LEU A 51 2.209 -13.209 12.829 1.00 0.00 O
166
+ ATOM 164 N PRO A 52 2.416 -10.962 12.894 1.00 0.00 N
167
+ ATOM 165 CA PRO A 52 0.988 -10.679 12.717 1.00 0.00 C
168
+ ATOM 166 CB PRO A 52 0.884 -9.161 12.910 1.00 0.00 C
169
+ ATOM 167 C PRO A 52 0.574 -11.041 11.295 1.00 0.00 C
170
+ ATOM 168 O PRO A 52 1.382 -10.841 10.366 1.00 0.00 O
171
+ ATOM 169 N VAL A 53 -0.653 -11.520 11.104 1.00 0.00 N
172
+ ATOM 170 CA VAL A 53 -1.162 -11.852 9.752 1.00 0.00 C
173
+ ATOM 171 CB VAL A 53 -2.613 -12.380 9.772 1.00 0.00 C
174
+ ATOM 172 C VAL A 53 -1.148 -10.553 8.928 1.00 0.00 C
175
+ ATOM 173 O VAL A 53 -1.522 -9.509 9.485 1.00 0.00 O
176
+ ATOM 174 N GLY A 54 -0.799 -10.663 7.667 1.00 0.00 N
177
+ ATOM 175 CA GLY A 54 -0.750 -9.522 6.759 1.00 0.00 C
178
+ ATOM 176 C GLY A 54 0.641 -8.916 6.616 1.00 0.00 C
179
+ ATOM 177 O GLY A 54 0.775 -7.922 5.879 1.00 0.00 O
180
+ ATOM 178 N THR A 55 1.631 -9.482 7.278 1.00 0.00 N
181
+ ATOM 179 CA THR A 55 3.026 -9.024 7.221 1.00 0.00 C
182
+ ATOM 180 CB THR A 55 3.835 -9.379 8.534 1.00 0.00 C
183
+ ATOM 181 C THR A 55 3.733 -9.525 5.959 1.00 0.00 C
184
+ ATOM 182 O THR A 55 3.723 -10.705 5.577 1.00 0.00 O
185
+ ATOM 183 N ILE A 56 4.366 -8.581 5.287 1.00 0.00 N
186
+ ATOM 184 CA ILE A 56 5.139 -8.819 4.064 1.00 0.00 C
187
+ ATOM 185 CB ILE A 56 5.029 -7.574 3.114 1.00 0.00 C
188
+ ATOM 186 C ILE A 56 6.579 -9.135 4.460 1.00 0.00 C
189
+ ATOM 187 O ILE A 56 7.249 -8.267 5.043 1.00 0.00 O
190
+ ATOM 188 N VAL A 57 7.016 -10.334 4.135 1.00 0.00 N
191
+ ATOM 189 CA VAL A 57 8.379 -10.774 4.491 1.00 0.00 C
192
+ ATOM 190 CB VAL A 57 8.280 -12.143 5.194 1.00 0.00 C
193
+ ATOM 191 C VAL A 57 9.319 -10.718 3.294 1.00 0.00 C
194
+ ATOM 192 O VAL A 57 8.878 -10.587 2.133 1.00 0.00 O
195
+ ATOM 193 N THR A 58 10.607 -10.825 3.594 1.00 0.00 N
196
+ ATOM 194 CA THR A 58 11.673 -10.826 2.570 1.00 0.00 C
197
+ ATOM 195 CB THR A 58 13.075 -10.436 3.177 1.00 0.00 C
198
+ ATOM 196 C THR A 58 11.719 -12.200 1.893 1.00 0.00 C
199
+ ATOM 197 O THR A 58 11.710 -13.236 2.588 1.00 0.00 O
200
+ ATOM 198 N MET A 59 11.805 -12.198 0.578 1.00 0.00 N
201
+ ATOM 199 CA MET A 59 11.790 -13.423 -0.231 1.00 0.00 C
202
+ ATOM 200 CB MET A 59 11.487 -13.044 -1.667 1.00 0.00 C
203
+ ATOM 201 C MET A 59 12.923 -14.402 -0.034 1.00 0.00 C
204
+ ATOM 202 O MET A 59 13.182 -15.246 -0.920 1.00 0.00 O
205
+ ATOM 203 N GLU A 60 13.534 -14.434 1.126 1.00 0.00 N
206
+ ATOM 204 CA GLU A 60 14.630 -15.348 1.473 1.00 0.00 C
207
+ ATOM 205 CB GLU A 60 15.553 -14.670 2.495 1.00 0.00 C
208
+ ATOM 206 C GLU A 60 14.165 -16.660 2.096 1.00 0.00 C
209
+ ATOM 207 O GLU A 60 13.464 -16.641 3.129 1.00 0.00 O
210
+ ATOM 208 N TYR A 61 14.611 -17.778 1.555 1.00 0.00 N
211
+ ATOM 209 CA TYR A 61 14.251 -19.116 2.030 1.00 0.00 C
212
+ ATOM 210 CB TYR A 61 14.150 -20.079 0.814 1.00 0.00 C
213
+ ATOM 211 C TYR A 61 15.194 -19.748 3.044 1.00 0.00 C
214
+ ATOM 212 O TYR A 61 16.326 -20.096 2.653 1.00 0.00 O
215
+ ATOM 213 N ARG A 62 14.727 -20.014 4.255 1.00 0.00 N
216
+ ATOM 214 CA ARG A 62 15.539 -20.644 5.299 1.00 0.00 C
217
+ ATOM 215 CB ARG A 62 15.854 -19.676 6.440 1.00 0.00 C
218
+ ATOM 216 C ARG A 62 14.903 -21.907 5.873 1.00 0.00 C
219
+ ATOM 217 O ARG A 62 13.892 -21.886 6.586 1.00 0.00 O
220
+ ATOM 218 N ILE A 63 15.581 -23.002 5.623 1.00 0.00 N
221
+ ATOM 219 CA ILE A 63 15.194 -24.357 6.003 1.00 0.00 C
222
+ ATOM 220 CB ILE A 63 16.213 -25.314 5.264 1.00 0.00 C
223
+ ATOM 221 C ILE A 63 14.963 -24.580 7.480 1.00 0.00 C
224
+ ATOM 222 O ILE A 63 14.082 -25.410 7.839 1.00 0.00 O
225
+ ATOM 223 N ASP A 64 15.632 -23.860 8.364 1.00 0.00 N
226
+ ATOM 224 CA ASP A 64 15.500 -24.051 9.809 1.00 0.00 C
227
+ ATOM 225 CB ASP A 64 16.845 -23.914 10.535 1.00 0.00 C
228
+ ATOM 226 C ASP A 64 14.469 -23.145 10.478 1.00 0.00 C
229
+ ATOM 227 O ASP A 64 14.340 -23.221 11.714 1.00 0.00 O
230
+ ATOM 228 N ARG A 65 13.870 -22.315 9.663 1.00 0.00 N
231
+ ATOM 229 CA ARG A 65 12.918 -21.309 10.141 1.00 0.00 C
232
+ ATOM 230 CB ARG A 65 13.130 -20.016 9.321 1.00 0.00 C
233
+ ATOM 231 C ARG A 65 11.453 -21.716 10.025 1.00 0.00 C
234
+ ATOM 232 O ARG A 65 11.074 -22.245 8.974 1.00 0.00 O
235
+ ATOM 233 N VAL A 66 10.685 -21.359 11.050 1.00 0.00 N
236
+ ATOM 234 CA VAL A 66 9.240 -21.555 11.079 1.00 0.00 C
237
+ ATOM 235 CB VAL A 66 8.740 -22.721 11.951 1.00 0.00 C
238
+ ATOM 236 C VAL A 66 8.541 -20.253 11.517 1.00 0.00 C
239
+ ATOM 237 O VAL A 66 8.570 -19.906 12.710 1.00 0.00 O
240
+ ATOM 238 N ARG A 67 7.886 -19.619 10.566 1.00 0.00 N
241
+ ATOM 239 CA ARG A 67 7.130 -18.389 10.853 1.00 0.00 C
242
+ ATOM 240 CB ARG A 67 7.001 -17.538 9.570 1.00 0.00 C
243
+ ATOM 241 C ARG A 67 5.717 -18.746 11.304 1.00 0.00 C
244
+ ATOM 242 O ARG A 67 5.057 -19.492 10.560 1.00 0.00 O
245
+ ATOM 243 N LEU A 68 5.264 -18.178 12.388 1.00 0.00 N
246
+ ATOM 244 CA LEU A 68 3.881 -18.326 12.864 1.00 0.00 C
247
+ ATOM 245 CB LEU A 68 3.893 -18.673 14.353 1.00 0.00 C
248
+ ATOM 246 C LEU A 68 3.149 -17.004 12.584 1.00 0.00 C
249
+ ATOM 247 O LEU A 68 3.629 -15.965 13.056 1.00 0.00 O
250
+ ATOM 248 N PHE A 69 2.068 -17.071 11.845 1.00 0.00 N
251
+ ATOM 249 CA PHE A 69 1.254 -15.871 11.532 1.00 0.00 C
252
+ ATOM 250 CB PHE A 69 0.923 -15.768 10.047 1.00 0.00 C
253
+ ATOM 251 C PHE A 69 0.064 -15.898 12.493 1.00 0.00 C
254
+ ATOM 252 O PHE A 69 -0.788 -16.799 12.467 1.00 0.00 O
255
+ ATOM 253 N VAL A 70 0.072 -14.937 13.400 1.00 0.00 N
256
+ ATOM 254 CA VAL A 70 -0.893 -14.807 14.480 1.00 0.00 C
257
+ ATOM 255 CB VAL A 70 -0.182 -14.794 15.849 1.00 0.00 C
258
+ ATOM 256 C VAL A 70 -1.933 -13.701 14.306 1.00 0.00 C
259
+ ATOM 257 O VAL A 70 -1.791 -12.706 13.598 1.00 0.00 O
260
+ ATOM 258 N ASP A 71 -3.046 -13.959 14.981 1.00 0.00 N
261
+ ATOM 259 CA ASP A 71 -4.238 -13.107 15.079 1.00 0.00 C
262
+ ATOM 260 CB ASP A 71 -5.514 -13.958 15.062 1.00 0.00 C
263
+ ATOM 261 C ASP A 71 -4.081 -12.235 16.333 1.00 0.00 C
264
+ ATOM 262 O ASP A 71 -3.074 -12.351 17.058 1.00 0.00 O
265
+ ATOM 263 N LYS A 72 -5.051 -11.380 16.574 1.00 0.00 N
266
+ ATOM 264 CA LYS A 72 -5.097 -10.438 17.680 1.00 0.00 C
267
+ ATOM 265 CB LYS A 72 -6.456 -9.729 17.730 1.00 0.00 C
268
+ ATOM 266 C LYS A 72 -4.946 -11.083 19.051 1.00 0.00 C
269
+ ATOM 267 O LYS A 72 -4.589 -10.376 20.015 1.00 0.00 O
270
+ ATOM 268 N LEU A 73 -5.275 -12.356 19.142 1.00 0.00 N
271
+ ATOM 269 CA LEU A 73 -5.201 -13.055 20.437 1.00 0.00 C
272
+ ATOM 270 CB LEU A 73 -6.544 -13.733 20.702 1.00 0.00 C
273
+ ATOM 271 C LEU A 73 -3.989 -13.979 20.495 1.00 0.00 C
274
+ ATOM 272 O LEU A 73 -3.851 -14.718 21.490 1.00 0.00 O
275
+ ATOM 273 N ASP A 74 -3.163 -13.927 19.472 1.00 0.00 N
276
+ ATOM 274 CA ASP A 74 -1.954 -14.754 19.386 1.00 0.00 C
277
+ ATOM 275 CB ASP A 74 -1.118 -14.670 20.675 1.00 0.00 C
278
+ ATOM 276 C ASP A 74 -2.256 -16.222 19.066 1.00 0.00 C
279
+ ATOM 277 O ASP A 74 -1.538 -17.062 19.642 1.00 0.00 O
280
+ ATOM 278 N ASN A 75 -3.259 -16.487 18.263 1.00 0.00 N
281
+ ATOM 279 CA ASN A 75 -3.598 -17.863 17.854 1.00 0.00 C
282
+ ATOM 280 CB ASN A 75 -5.101 -18.132 17.948 1.00 0.00 C
283
+ ATOM 281 C ASN A 75 -3.042 -18.012 16.436 1.00 0.00 C
284
+ ATOM 282 O ASN A 75 -2.896 -16.949 15.809 1.00 0.00 O
285
+ ATOM 283 N ILE A 76 -2.730 -19.221 16.019 1.00 0.00 N
286
+ ATOM 284 CA ILE A 76 -2.185 -19.433 14.667 1.00 0.00 C
287
+ ATOM 285 CB ILE A 76 -1.478 -20.810 14.457 1.00 0.00 C
288
+ ATOM 286 C ILE A 76 -3.342 -19.252 13.677 1.00 0.00 C
289
+ ATOM 287 O ILE A 76 -4.322 -20.009 13.762 1.00 0.00 O
290
+ ATOM 288 N ALA A 77 -3.162 -18.316 12.767 1.00 0.00 N
291
+ ATOM 289 CA ALA A 77 -4.214 -17.967 11.809 1.00 0.00 C
292
+ ATOM 290 CB ALA A 77 -4.229 -16.428 11.726 1.00 0.00 C
293
+ ATOM 291 C ALA A 77 -4.079 -18.616 10.449 1.00 0.00 C
294
+ ATOM 292 O ALA A 77 -5.055 -18.635 9.669 1.00 0.00 O
295
+ ATOM 293 N GLU A 78 -2.891 -19.085 10.120 1.00 0.00 N
296
+ ATOM 294 CA GLU A 78 -2.597 -19.763 8.857 1.00 0.00 C
297
+ ATOM 295 CB GLU A 78 -1.928 -18.872 7.823 1.00 0.00 C
298
+ ATOM 296 C GLU A 78 -1.699 -20.960 9.151 1.00 0.00 C
299
+ ATOM 297 O GLU A 78 -1.083 -21.009 10.226 1.00 0.00 O
300
+ ATOM 298 N VAL A 79 -1.647 -21.889 8.224 1.00 0.00 N
301
+ ATOM 299 CA VAL A 79 -0.849 -23.111 8.362 1.00 0.00 C
302
+ ATOM 300 CB VAL A 79 -1.054 -24.095 7.183 1.00 0.00 C
303
+ ATOM 301 C VAL A 79 0.637 -22.743 8.418 1.00 0.00 C
304
+ ATOM 302 O VAL A 79 1.125 -22.175 7.430 1.00 0.00 O
305
+ ATOM 303 N PRO A 80 1.266 -23.104 9.509 1.00 0.00 N
306
+ ATOM 304 CA PRO A 80 2.714 -22.871 9.687 1.00 0.00 C
307
+ ATOM 305 CB PRO A 80 2.966 -23.306 11.130 1.00 0.00 C
308
+ ATOM 306 C PRO A 80 3.493 -23.711 8.672 1.00 0.00 C
309
+ ATOM 307 O PRO A 80 3.107 -24.865 8.398 1.00 0.00 O
310
+ ATOM 308 N ARG A 81 4.557 -23.162 8.131 1.00 0.00 N
311
+ ATOM 309 CA ARG A 81 5.395 -23.823 7.129 1.00 0.00 C
312
+ ATOM 310 CB ARG A 81 4.933 -23.501 5.698 1.00 0.00 C
313
+ ATOM 311 C ARG A 81 6.855 -23.394 7.251 1.00 0.00 C
314
+ ATOM 312 O ARG A 81 7.114 -22.263 7.689 1.00 0.00 O
315
+ ATOM 313 N VAL A 82 7.747 -24.270 6.813 1.00 0.00 N
316
+ ATOM 314 CA VAL A 82 9.190 -23.996 6.828 1.00 0.00 C
317
+ ATOM 315 CB VAL A 82 10.004 -25.297 6.632 1.00 0.00 C
318
+ ATOM 316 C VAL A 82 9.560 -22.976 5.747 1.00 0.00 C
319
+ ATOM 317 O VAL A 82 8.985 -23.009 4.640 1.00 0.00 O
320
+ ATOM 318 N GLY A 83 10.551 -22.146 6.059 1.00 0.00 N
321
+ ATOM 319 CA GLY A 83 11.026 -21.174 5.057 1.00 0.00 C
322
+ ATOM 320 C GLY A 83 11.395 -19.829 5.657 1.00 0.00 C
323
+ ATOM 321 O GLY A 83 10.798 -19.541 6.714 1.00 0.00 O
324
+ TER 322 GLY A 83
325
+ ENDMDL
326
+ END
structures/2jof_5beads.pdb ADDED
@@ -0,0 +1,101 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ MODEL 0
2
+ ATOM 0 N ASP A 1 21.464 6.593 -4.077 1.00 0.00 N
3
+ ATOM 1 CA ASP A 1 22.746 6.821 -3.378 1.00 0.00 C
4
+ ATOM 2 CB ASP A 1 22.484 7.311 -1.954 1.00 0.00 C
5
+ ATOM 3 C ASP A 1 23.653 5.606 -3.363 1.00 0.00 C
6
+ ATOM 4 O ASP A 1 23.241 4.525 -2.949 1.00 0.00 O
7
+ ATOM 5 N ALA A 2 24.908 5.815 -3.770 1.00 0.00 N
8
+ ATOM 6 CA ALA A 2 25.968 4.821 -3.656 1.00 0.00 C
9
+ ATOM 7 CB ALA A 2 27.190 5.329 -4.430 1.00 0.00 C
10
+ ATOM 8 C ALA A 2 26.308 4.504 -2.188 1.00 0.00 C
11
+ ATOM 9 O ALA A 2 26.485 3.336 -1.855 1.00 0.00 O
12
+ ATOM 10 N TYR A 3 26.357 5.511 -1.298 1.00 0.00 N
13
+ ATOM 11 CA TYR A 3 26.691 5.317 0.123 1.00 0.00 C
14
+ ATOM 12 CB TYR A 3 26.848 6.673 0.837 1.00 0.00 C
15
+ ATOM 13 C TYR A 3 25.662 4.433 0.847 1.00 0.00 C
16
+ ATOM 14 O TYR A 3 26.023 3.576 1.655 1.00 0.00 O
17
+ ATOM 15 N ALA A 4 24.375 4.599 0.516 1.00 0.00 N
18
+ ATOM 16 CA ALA A 4 23.305 3.738 1.010 1.00 0.00 C
19
+ ATOM 17 CB ALA A 4 21.973 4.212 0.414 1.00 0.00 C
20
+ ATOM 18 C ALA A 4 23.596 2.264 0.685 1.00 0.00 C
21
+ ATOM 19 O ALA A 4 23.537 1.409 1.571 1.00 0.00 O
22
+ ATOM 20 N GLN A 5 23.956 1.978 -0.573 1.00 0.00 N
23
+ ATOM 21 CA GLN A 5 24.324 0.636 -1.015 1.00 0.00 C
24
+ ATOM 22 CB GLN A 5 24.354 0.593 -2.550 1.00 0.00 C
25
+ ATOM 23 C GLN A 5 25.638 0.157 -0.378 1.00 0.00 C
26
+ ATOM 24 O GLN A 5 25.693 -0.963 0.117 1.00 0.00 O
27
+ ATOM 25 N TRP A 6 26.657 1.026 -0.296 1.00 0.00 N
28
+ ATOM 26 CA TRP A 6 27.939 0.765 0.370 1.00 0.00 C
29
+ ATOM 27 CB TRP A 6 28.769 2.060 0.434 1.00 0.00 C
30
+ ATOM 28 C TRP A 6 27.748 0.150 1.763 1.00 0.00 C
31
+ ATOM 29 O TRP A 6 28.319 -0.901 2.056 1.00 0.00 O
32
+ ATOM 30 N LEU A 7 26.896 0.768 2.593 1.00 0.00 N
33
+ ATOM 31 CA LEU A 7 26.513 0.223 3.896 1.00 0.00 C
34
+ ATOM 32 CB LEU A 7 25.702 1.265 4.685 1.00 0.00 C
35
+ ATOM 33 C LEU A 7 25.751 -1.109 3.777 1.00 0.00 C
36
+ ATOM 34 O LEU A 7 26.102 -2.047 4.490 1.00 0.00 O
37
+ ATOM 35 N LYS A 8 24.754 -1.222 2.879 1.00 0.00 N
38
+ ATOM 36 CA LYS A 8 23.983 -2.465 2.653 1.00 0.00 C
39
+ ATOM 37 CB LYS A 8 22.933 -2.300 1.533 1.00 0.00 C
40
+ ATOM 38 C LYS A 8 24.869 -3.673 2.342 1.00 0.00 C
41
+ ATOM 39 O LYS A 8 24.636 -4.741 2.900 1.00 0.00 O
42
+ ATOM 40 N ASP A 9 25.877 -3.512 1.480 1.00 0.00 N
43
+ ATOM 41 CA ASP A 9 26.833 -4.578 1.163 1.00 0.00 C
44
+ ATOM 42 CB ASP A 9 27.701 -4.147 -0.031 1.00 0.00 C
45
+ ATOM 43 C ASP A 9 27.727 -4.980 2.357 1.00 0.00 C
46
+ ATOM 44 O ASP A 9 28.298 -6.067 2.328 1.00 0.00 O
47
+ ATOM 45 N GLY A 10 27.852 -4.139 3.398 1.00 0.00 N
48
+ ATOM 46 CA GLY A 10 28.693 -4.383 4.580 1.00 0.00 C
49
+ ATOM 47 C GLY A 10 29.832 -3.374 4.791 1.00 0.00 C
50
+ ATOM 48 O GLY A 10 30.691 -3.605 5.650 1.00 0.00 O
51
+ ATOM 49 N GLY A 11 29.855 -2.277 4.020 1.00 0.00 N
52
+ ATOM 50 CA GLY A 11 30.828 -1.185 4.062 1.00 0.00 C
53
+ ATOM 51 C GLY A 11 32.288 -1.659 4.054 1.00 0.00 C
54
+ ATOM 52 O GLY A 11 32.721 -2.217 3.042 1.00 0.00 O
55
+ ATOM 53 N PRO A 12 33.058 -1.476 5.151 1.00 0.00 N
56
+ ATOM 54 CA PRO A 12 34.440 -1.955 5.252 1.00 0.00 C
57
+ ATOM 55 CB PRO A 12 34.895 -1.636 6.682 1.00 0.00 C
58
+ ATOM 56 C PRO A 12 34.601 -3.454 4.962 1.00 0.00 C
59
+ ATOM 57 O PRO A 12 35.633 -3.863 4.436 1.00 0.00 O
60
+ ATOM 58 N SER A 13 33.573 -4.260 5.264 1.00 0.00 N
61
+ ATOM 59 CA SER A 13 33.561 -5.719 5.076 1.00 0.00 C
62
+ ATOM 60 CB SER A 13 32.228 -6.321 5.552 1.00 0.00 C
63
+ ATOM 61 C SER A 13 33.760 -6.106 3.608 1.00 0.00 C
64
+ ATOM 62 O SER A 13 34.434 -7.083 3.299 1.00 0.00 O
65
+ ATOM 63 N SER A 14 33.152 -5.326 2.710 1.00 0.00 N
66
+ ATOM 64 CA SER A 14 33.098 -5.543 1.266 1.00 0.00 C
67
+ ATOM 65 CB SER A 14 31.926 -4.734 0.697 1.00 0.00 C
68
+ ATOM 66 C SER A 14 34.360 -5.073 0.537 1.00 0.00 C
69
+ ATOM 67 O SER A 14 34.556 -5.413 -0.626 1.00 0.00 O
70
+ ATOM 68 N GLY A 15 35.169 -4.214 1.172 1.00 0.00 N
71
+ ATOM 69 CA GLY A 15 36.410 -3.643 0.636 1.00 0.00 C
72
+ ATOM 70 C GLY A 15 36.255 -2.613 -0.497 1.00 0.00 C
73
+ ATOM 71 O GLY A 15 37.211 -1.898 -0.792 1.00 0.00 O
74
+ ATOM 72 N ARG A 16 35.070 -2.497 -1.115 1.00 0.00 N
75
+ ATOM 73 CA ARG A 16 34.727 -1.465 -2.108 1.00 0.00 C
76
+ ATOM 74 CB ARG A 16 33.284 -1.656 -2.618 1.00 0.00 C
77
+ ATOM 75 C ARG A 16 34.980 -0.047 -1.551 1.00 0.00 C
78
+ ATOM 76 O ARG A 16 34.467 0.259 -0.472 1.00 0.00 O
79
+ ATOM 77 N PRO A 17 35.751 0.821 -2.239 1.00 0.00 N
80
+ ATOM 78 CA PRO A 17 36.016 2.191 -1.791 1.00 0.00 C
81
+ ATOM 79 CB PRO A 17 36.808 2.853 -2.927 1.00 0.00 C
82
+ ATOM 80 C PRO A 17 34.725 2.977 -1.472 1.00 0.00 C
83
+ ATOM 81 O PRO A 17 33.816 2.988 -2.306 1.00 0.00 O
84
+ ATOM 82 N PRO A 18 34.610 3.631 -0.297 1.00 0.00 N
85
+ ATOM 83 CA PRO A 18 33.451 4.462 0.024 1.00 0.00 C
86
+ ATOM 84 CB PRO A 18 33.607 4.882 1.490 1.00 0.00 C
87
+ ATOM 85 C PRO A 18 33.346 5.686 -0.904 1.00 0.00 C
88
+ ATOM 86 O PRO A 18 34.365 6.311 -1.205 1.00 0.00 O
89
+ ATOM 87 N PRO A 19 32.128 6.060 -1.341 1.00 0.00 N
90
+ ATOM 88 CA PRO A 19 31.901 7.248 -2.156 1.00 0.00 C
91
+ ATOM 89 CB PRO A 19 30.530 7.025 -2.802 1.00 0.00 C
92
+ ATOM 90 C PRO A 19 31.946 8.519 -1.291 1.00 0.00 C
93
+ ATOM 91 O PRO A 19 31.097 8.703 -0.420 1.00 0.00 O
94
+ ATOM 92 N SER A 20 32.938 9.384 -1.532 1.00 0.00 N
95
+ ATOM 93 CA SER A 20 33.016 10.745 -0.974 1.00 0.00 C
96
+ ATOM 94 CB SER A 20 34.451 11.264 -1.011 1.00 0.00 C
97
+ ATOM 95 C SER A 20 32.120 11.723 -1.734 1.00 0.00 C
98
+ ATOM 96 O SER A 20 32.254 11.771 -2.977 1.00 0.00 O
99
+ TER 97 SER A 20
100
+ ENDMDL
101
+ END
structures/2nuz_5beads.pdb ADDED
@@ -0,0 +1,277 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ MODEL 0
2
+ ATOM 0 N GLU A 7 1.642 0.658 5.557 1.00 0.00 N
3
+ ATOM 1 CA GLU A 7 2.691 0.743 6.628 1.00 0.00 C
4
+ ATOM 2 CB GLU A 7 3.246 2.159 6.743 1.00 0.00 C
5
+ ATOM 3 C GLU A 7 2.145 0.336 7.991 1.00 0.00 C
6
+ ATOM 4 O GLU A 7 1.038 0.739 8.374 1.00 0.00 O
7
+ ATOM 5 N LEU A 8 2.931 -0.462 8.711 1.00 0.00 N
8
+ ATOM 6 CA LEU A 8 2.563 -0.956 10.042 1.00 0.00 C
9
+ ATOM 7 CB LEU A 8 2.657 -2.488 10.082 1.00 0.00 C
10
+ ATOM 8 C LEU A 8 3.550 -0.372 11.051 1.00 0.00 C
11
+ ATOM 9 O LEU A 8 4.711 -0.175 10.720 1.00 0.00 O
12
+ ATOM 10 N VAL A 9 3.093 -0.075 12.260 1.00 0.00 N
13
+ ATOM 11 CA VAL A 9 4.017 0.315 13.332 1.00 0.00 C
14
+ ATOM 12 CB VAL A 9 3.899 1.796 13.714 1.00 0.00 C
15
+ ATOM 13 C VAL A 9 3.735 -0.559 14.554 1.00 0.00 C
16
+ ATOM 14 O VAL A 9 2.619 -1.056 14.719 1.00 0.00 O
17
+ ATOM 15 N LEU A 10 4.756 -0.761 15.377 1.00 0.00 N
18
+ ATOM 16 CA LEU A 10 4.680 -1.512 16.604 1.00 0.00 C
19
+ ATOM 17 CB LEU A 10 5.982 -2.314 16.739 1.00 0.00 C
20
+ ATOM 18 C LEU A 10 4.591 -0.525 17.778 1.00 0.00 C
21
+ ATOM 19 O LEU A 10 5.404 0.394 17.853 1.00 0.00 O
22
+ ATOM 20 N ALA A 11 3.629 -0.727 18.675 1.00 0.00 N
23
+ ATOM 21 CA ALA A 11 3.482 0.067 19.898 1.00 0.00 C
24
+ ATOM 22 CB ALA A 11 2.127 -0.187 20.541 1.00 0.00 C
25
+ ATOM 23 C ALA A 11 4.584 -0.355 20.851 1.00 0.00 C
26
+ ATOM 24 O ALA A 11 4.653 -1.531 21.241 1.00 0.00 O
27
+ ATOM 25 N LEU A 12 5.465 0.581 21.197 1.00 0.00 N
28
+ ATOM 26 CA LEU A 12 6.556 0.294 22.160 1.00 0.00 C
29
+ ATOM 27 CB LEU A 12 7.746 1.215 21.882 1.00 0.00 C
30
+ ATOM 28 C LEU A 12 6.110 0.454 23.614 1.00 0.00 C
31
+ ATOM 29 O LEU A 12 6.689 -0.139 24.509 1.00 0.00 O
32
+ ATOM 30 N TYR A 13 5.081 1.263 23.850 1.00 0.00 N
33
+ ATOM 31 CA TYR A 13 4.540 1.514 25.192 1.00 0.00 C
34
+ ATOM 32 CB TYR A 13 5.031 2.865 25.723 1.00 0.00 C
35
+ ATOM 33 C TYR A 13 3.038 1.586 25.129 1.00 0.00 C
36
+ ATOM 34 O TYR A 13 2.487 1.869 24.070 1.00 0.00 O
37
+ ATOM 35 N ASP A 14 2.384 1.353 26.267 1.00 0.00 N
38
+ ATOM 36 CA ASP A 14 0.978 1.661 26.437 1.00 0.00 C
39
+ ATOM 37 CB ASP A 14 0.494 1.286 27.849 1.00 0.00 C
40
+ ATOM 38 C ASP A 14 0.814 3.168 26.238 1.00 0.00 C
41
+ ATOM 39 O ASP A 14 1.691 3.967 26.627 1.00 0.00 O
42
+ ATOM 40 N TYR A 15 -0.289 3.557 25.616 1.00 0.00 N
43
+ ATOM 41 CA TYR A 15 -0.688 4.947 25.599 1.00 0.00 C
44
+ ATOM 42 CB TYR A 15 -0.212 5.665 24.331 1.00 0.00 C
45
+ ATOM 43 C TYR A 15 -2.191 5.072 25.733 1.00 0.00 C
46
+ ATOM 44 O TYR A 15 -2.930 4.529 24.927 1.00 0.00 O
47
+ ATOM 45 N GLN A 16 -2.643 5.802 26.750 1.00 0.00 N
48
+ ATOM 46 CA GLN A 16 -4.072 6.023 26.957 1.00 0.00 C
49
+ ATOM 47 CB GLN A 16 -4.432 5.902 28.441 1.00 0.00 C
50
+ ATOM 48 C GLN A 16 -4.484 7.388 26.437 1.00 0.00 C
51
+ ATOM 49 O GLN A 16 -3.896 8.405 26.800 1.00 0.00 O
52
+ ATOM 50 N GLU A 17 -5.492 7.418 25.574 1.00 0.00 N
53
+ ATOM 51 CA GLU A 17 -5.908 8.665 24.953 1.00 0.00 C
54
+ ATOM 52 CB GLU A 17 -7.076 8.423 24.007 1.00 0.00 C
55
+ ATOM 53 C GLU A 17 -6.282 9.753 25.959 1.00 0.00 C
56
+ ATOM 54 O GLU A 17 -6.954 9.486 26.945 1.00 0.00 O
57
+ ATOM 55 N LYS A 18 -5.888 10.992 25.668 1.00 0.00 N
58
+ ATOM 56 CA LYS A 18 -6.062 12.085 26.602 1.00 0.00 C
59
+ ATOM 57 CB LYS A 18 -4.702 12.568 27.130 1.00 0.00 C
60
+ ATOM 58 C LYS A 18 -6.796 13.251 25.955 1.00 0.00 C
61
+ ATOM 59 O LYS A 18 -7.052 14.259 26.614 1.00 0.00 O
62
+ ATOM 60 N SER A 19 -7.128 13.127 24.673 1.00 0.00 N
63
+ ATOM 61 CA SER A 19 -8.002 14.114 24.044 1.00 0.00 C
64
+ ATOM 62 CB SER A 19 -7.193 15.280 23.504 1.00 0.00 C
65
+ ATOM 63 C SER A 19 -8.829 13.457 22.938 1.00 0.00 C
66
+ ATOM 64 O SER A 19 -8.552 12.308 22.574 1.00 0.00 O
67
+ ATOM 65 N PRO A 20 -9.875 14.161 22.449 1.00 0.00 N
68
+ ATOM 66 CA PRO A 20 -10.773 13.615 21.442 1.00 0.00 C
69
+ ATOM 67 CB PRO A 20 -11.678 14.804 21.103 1.00 0.00 C
70
+ ATOM 68 C PRO A 20 -10.087 13.061 20.192 1.00 0.00 C
71
+ ATOM 69 O PRO A 20 -10.624 12.149 19.576 1.00 0.00 O
72
+ ATOM 70 N ARG A 21 -8.935 13.603 19.823 1.00 0.00 N
73
+ ATOM 71 CA ARG A 21 -8.308 13.216 18.564 1.00 0.00 C
74
+ ATOM 72 CB ARG A 21 -7.540 14.418 17.980 1.00 0.00 C
75
+ ATOM 73 C ARG A 21 -7.359 12.011 18.740 1.00 0.00 C
76
+ ATOM 74 O ARG A 21 -6.819 11.500 17.751 1.00 0.00 O
77
+ ATOM 75 N GLU A 22 -7.169 11.554 19.991 1.00 0.00 N
78
+ ATOM 76 CA GLU A 22 -6.214 10.496 20.282 1.00 0.00 C
79
+ ATOM 77 CB GLU A 22 -5.486 10.805 21.601 1.00 0.00 C
80
+ ATOM 78 C GLU A 22 -6.869 9.124 20.353 1.00 0.00 C
81
+ ATOM 79 O GLU A 22 -8.095 9.021 20.475 1.00 0.00 O
82
+ ATOM 80 N VAL A 23 -6.042 8.086 20.248 1.00 0.00 N
83
+ ATOM 81 CA VAL A 23 -6.497 6.711 20.361 1.00 0.00 C
84
+ ATOM 82 CB VAL A 23 -6.415 5.997 18.982 1.00 0.00 C
85
+ ATOM 83 C VAL A 23 -5.641 6.014 21.437 1.00 0.00 C
86
+ ATOM 84 O VAL A 23 -4.542 6.475 21.746 1.00 0.00 O
87
+ ATOM 85 N THR A 24 -6.162 4.932 22.013 1.00 0.00 N
88
+ ATOM 86 CA THR A 24 -5.445 4.151 23.010 1.00 0.00 C
89
+ ATOM 87 CB THR A 24 -6.439 3.647 24.038 1.00 0.00 C
90
+ ATOM 88 C THR A 24 -4.755 2.943 22.373 1.00 0.00 C
91
+ ATOM 89 O THR A 24 -5.325 2.303 21.502 1.00 0.00 O
92
+ ATOM 90 N MET A 25 -3.537 2.623 22.801 1.00 0.00 N
93
+ ATOM 91 CA MET A 25 -2.859 1.416 22.306 1.00 0.00 C
94
+ ATOM 92 CB MET A 25 -1.804 1.729 21.228 1.00 0.00 C
95
+ ATOM 93 C MET A 25 -2.200 0.727 23.484 1.00 0.00 C
96
+ ATOM 94 O MET A 25 -1.956 1.353 24.552 1.00 0.00 O
97
+ ATOM 95 N LYS A 26 -1.923 -0.547 23.298 1.00 0.00 N
98
+ ATOM 96 CA LYS A 26 -1.236 -1.339 24.299 1.00 0.00 C
99
+ ATOM 97 CB LYS A 26 -2.033 -2.613 24.613 1.00 0.00 C
100
+ ATOM 98 C LYS A 26 0.132 -1.707 23.714 1.00 0.00 C
101
+ ATOM 99 O LYS A 26 0.242 -1.963 22.522 1.00 0.00 O
102
+ ATOM 100 N LYS A 27 1.162 -1.740 24.555 1.00 0.00 N
103
+ ATOM 101 CA LYS A 27 2.472 -2.248 24.153 1.00 0.00 C
104
+ ATOM 102 CB LYS A 27 3.325 -2.506 25.406 1.00 0.00 C
105
+ ATOM 103 C LYS A 27 2.328 -3.574 23.403 1.00 0.00 C
106
+ ATOM 104 O LYS A 27 1.662 -4.502 23.903 1.00 0.00 O
107
+ ATOM 105 N GLY A 28 3.019 -3.693 22.271 1.00 0.00 N
108
+ ATOM 106 CA GLY A 28 2.975 -4.912 21.470 1.00 0.00 C
109
+ ATOM 107 C GLY A 28 1.937 -4.877 20.349 1.00 0.00 C
110
+ ATOM 108 O GLY A 28 1.959 -5.729 19.458 1.00 0.00 O
111
+ ATOM 109 N ASP A 29 1.005 -3.926 20.410 1.00 0.00 N
112
+ ATOM 110 CA ASP A 29 -0.018 -3.771 19.340 1.00 0.00 C
113
+ ATOM 111 CB ASP A 29 -0.953 -2.603 19.625 1.00 0.00 C
114
+ ATOM 112 C ASP A 29 0.640 -3.461 18.017 1.00 0.00 C
115
+ ATOM 113 O ASP A 29 1.615 -2.727 17.970 1.00 0.00 O
116
+ ATOM 114 N ILE A 30 0.078 -4.003 16.931 1.00 0.00 N
117
+ ATOM 115 CA ILE A 30 0.537 -3.688 15.606 1.00 0.00 C
118
+ ATOM 116 CB ILE A 30 0.694 -4.944 14.746 1.00 0.00 C
119
+ ATOM 117 C ILE A 30 -0.522 -2.788 14.963 1.00 0.00 C
120
+ ATOM 118 O ILE A 30 -1.642 -3.226 14.762 1.00 0.00 O
121
+ ATOM 119 N LEU A 31 -0.145 -1.547 14.650 1.00 0.00 N
122
+ ATOM 120 CA LEU A 31 -1.100 -0.518 14.214 1.00 0.00 C
123
+ ATOM 121 CB LEU A 31 -0.885 0.799 14.999 1.00 0.00 C
124
+ ATOM 122 C LEU A 31 -0.886 -0.191 12.761 1.00 0.00 C
125
+ ATOM 123 O LEU A 31 0.249 -0.235 12.274 1.00 0.00 O
126
+ ATOM 124 N THR A 32 -1.959 0.164 12.071 1.00 0.00 N
127
+ ATOM 125 CA THR A 32 -1.814 0.622 10.695 1.00 0.00 C
128
+ ATOM 126 CB THR A 32 -3.054 0.316 9.881 1.00 0.00 C
129
+ ATOM 127 C THR A 32 -1.512 2.128 10.725 1.00 0.00 C
130
+ ATOM 128 O THR A 32 -2.245 2.903 11.365 1.00 0.00 O
131
+ ATOM 129 N LEU A 33 -0.410 2.507 10.078 1.00 0.00 N
132
+ ATOM 130 CA LEU A 33 0.018 3.899 10.005 1.00 0.00 C
133
+ ATOM 131 CB LEU A 33 1.532 3.974 9.834 1.00 0.00 C
134
+ ATOM 132 C LEU A 33 -0.719 4.622 8.858 1.00 0.00 C
135
+ ATOM 133 O LEU A 33 -0.651 4.209 7.691 1.00 0.00 O
136
+ ATOM 134 N LEU A 34 -1.437 5.698 9.197 1.00 0.00 N
137
+ ATOM 135 CA LEU A 34 -2.224 6.430 8.209 1.00 0.00 C
138
+ ATOM 136 CB LEU A 34 -3.602 6.737 8.775 1.00 0.00 C
139
+ ATOM 137 C LEU A 34 -1.517 7.736 7.801 1.00 0.00 C
140
+ ATOM 138 O LEU A 34 -1.579 8.148 6.651 1.00 0.00 O
141
+ ATOM 139 N ASN A 35 -0.843 8.372 8.739 1.00 0.00 N
142
+ ATOM 140 CA ASN A 35 -0.263 9.683 8.430 1.00 0.00 C
143
+ ATOM 141 CB ASN A 35 -1.342 10.799 8.494 1.00 0.00 C
144
+ ATOM 142 C ASN A 35 0.894 9.979 9.362 1.00 0.00 C
145
+ ATOM 143 O ASN A 35 0.709 10.097 10.592 1.00 0.00 O
146
+ ATOM 144 N SER A 36 2.078 10.123 8.782 1.00 0.00 N
147
+ ATOM 145 CA SER A 36 3.274 10.398 9.603 1.00 0.00 C
148
+ ATOM 146 CB SER A 36 4.290 9.238 9.471 1.00 0.00 C
149
+ ATOM 147 C SER A 36 3.931 11.702 9.234 1.00 0.00 C
150
+ ATOM 148 O SER A 36 5.126 11.863 9.416 1.00 0.00 O
151
+ ATOM 149 N THR A 37 3.164 12.659 8.701 1.00 0.00 N
152
+ ATOM 150 CA THR A 37 3.763 13.920 8.321 1.00 0.00 C
153
+ ATOM 151 CB THR A 37 2.827 14.724 7.391 1.00 0.00 C
154
+ ATOM 152 C THR A 37 4.159 14.802 9.498 1.00 0.00 C
155
+ ATOM 153 O THR A 37 4.988 15.675 9.330 1.00 0.00 O
156
+ ATOM 154 N ASN A 38 3.512 14.647 10.650 1.00 0.00 N
157
+ ATOM 155 CA ASN A 38 3.837 15.456 11.806 1.00 0.00 C
158
+ ATOM 156 CB ASN A 38 2.630 15.575 12.726 1.00 0.00 C
159
+ ATOM 157 C ASN A 38 4.979 14.801 12.573 1.00 0.00 C
160
+ ATOM 158 O ASN A 38 4.994 13.587 12.741 1.00 0.00 O
161
+ ATOM 159 N LYS A 39 5.926 15.569 13.069 1.00 0.00 N
162
+ ATOM 160 CA LYS A 39 7.049 14.884 13.728 1.00 0.00 C
163
+ ATOM 161 CB LYS A 39 8.294 15.768 13.822 1.00 0.00 C
164
+ ATOM 162 C LYS A 39 6.705 14.302 15.094 1.00 0.00 C
165
+ ATOM 163 O LYS A 39 7.352 13.348 15.538 1.00 0.00 O
166
+ ATOM 164 N ASP A 40 5.685 14.855 15.739 1.00 0.00 N
167
+ ATOM 165 CA ASP A 40 5.363 14.510 17.124 1.00 0.00 C
168
+ ATOM 166 CB ASP A 40 5.064 15.785 17.903 1.00 0.00 C
169
+ ATOM 167 C ASP A 40 4.189 13.542 17.296 1.00 0.00 C
170
+ ATOM 168 O ASP A 40 4.166 12.747 18.256 1.00 0.00 O
171
+ ATOM 169 N TRP A 41 3.204 13.632 16.397 1.00 0.00 N
172
+ ATOM 170 CA TRP A 41 1.944 12.890 16.534 1.00 0.00 C
173
+ ATOM 171 CB TRP A 41 0.803 13.869 16.816 1.00 0.00 C
174
+ ATOM 172 C TRP A 41 1.636 12.165 15.238 1.00 0.00 C
175
+ ATOM 173 O TRP A 41 1.512 12.807 14.194 1.00 0.00 O
176
+ ATOM 174 N TRP A 42 1.475 10.843 15.278 1.00 0.00 N
177
+ ATOM 175 CA TRP A 42 1.176 10.089 14.061 1.00 0.00 C
178
+ ATOM 176 CB TRP A 42 2.181 8.939 13.903 1.00 0.00 C
179
+ ATOM 177 C TRP A 42 -0.250 9.543 14.119 1.00 0.00 C
180
+ ATOM 178 O TRP A 42 -0.698 9.138 15.201 1.00 0.00 O
181
+ ATOM 179 N LYS A 43 -0.969 9.579 12.991 1.00 0.00 N
182
+ ATOM 180 CA LYS A 43 -2.306 9.063 12.889 1.00 0.00 C
183
+ ATOM 181 CB LYS A 43 -3.123 9.832 11.849 1.00 0.00 C
184
+ ATOM 182 C LYS A 43 -2.252 7.582 12.527 1.00 0.00 C
185
+ ATOM 183 O LYS A 43 -1.625 7.191 11.535 1.00 0.00 O
186
+ ATOM 184 N VAL A 44 -2.880 6.769 13.371 1.00 0.00 N
187
+ ATOM 185 CA VAL A 44 -2.873 5.319 13.211 1.00 0.00 C
188
+ ATOM 186 CB VAL A 44 -2.075 4.623 14.345 1.00 0.00 C
189
+ ATOM 187 C VAL A 44 -4.309 4.796 13.277 1.00 0.00 C
190
+ ATOM 188 O VAL A 44 -5.255 5.520 13.642 1.00 0.00 O
191
+ ATOM 189 N GLU A 45 -4.460 3.533 12.904 1.00 0.00 N
192
+ ATOM 190 CA GLU A 45 -5.722 2.839 13.022 1.00 0.00 C
193
+ ATOM 191 CB GLU A 45 -6.167 2.313 11.673 1.00 0.00 C
194
+ ATOM 192 C GLU A 45 -5.486 1.681 13.994 1.00 0.00 C
195
+ ATOM 193 O GLU A 45 -4.529 0.911 13.836 1.00 0.00 O
196
+ ATOM 194 N VAL A 46 -6.310 1.617 15.035 1.00 0.00 N
197
+ ATOM 195 CA VAL A 46 -6.163 0.597 16.084 1.00 0.00 C
198
+ ATOM 196 CB VAL A 46 -5.895 1.164 17.497 1.00 0.00 C
199
+ ATOM 197 C VAL A 46 -7.486 -0.062 16.084 1.00 0.00 C
200
+ ATOM 198 O VAL A 46 -8.495 0.546 16.463 1.00 0.00 O
201
+ ATOM 199 N ASN A 47 -7.467 -1.316 15.631 1.00 0.00 N
202
+ ATOM 200 CA ASN A 47 -8.679 -2.059 15.295 1.00 0.00 C
203
+ ATOM 201 CB ASN A 47 -9.382 -2.605 16.547 1.00 0.00 C
204
+ ATOM 202 C ASN A 47 -9.649 -1.269 14.414 1.00 0.00 C
205
+ ATOM 203 O ASN A 47 -9.448 -1.175 13.192 1.00 0.00 O
206
+ ATOM 204 N ASP A 48 -10.692 -0.705 15.032 1.00 0.00 N
207
+ ATOM 205 CA ASP A 48 -11.728 0.009 14.292 1.00 0.00 C
208
+ ATOM 206 CB ASP A 48 -13.105 -0.603 14.571 1.00 0.00 C
209
+ ATOM 207 C ASP A 48 -11.751 1.503 14.612 1.00 0.00 C
210
+ ATOM 208 O ASP A 48 -12.706 2.201 14.272 1.00 0.00 O
211
+ ATOM 209 N ARG A 49 -10.694 2.001 15.252 1.00 0.00 N
212
+ ATOM 210 CA ARG A 49 -10.624 3.426 15.584 1.00 0.00 C
213
+ ATOM 211 CB ARG A 49 -10.555 3.600 17.108 1.00 0.00 C
214
+ ATOM 212 C ARG A 49 -9.396 4.093 14.937 1.00 0.00 C
215
+ ATOM 213 O ARG A 49 -8.334 3.480 14.884 1.00 0.00 O
216
+ ATOM 214 N GLN A 50 -9.541 5.333 14.474 1.00 0.00 N
217
+ ATOM 215 CA GLN A 50 -8.406 6.107 13.946 1.00 0.00 C
218
+ ATOM 216 CB GLN A 50 -8.688 6.613 12.537 1.00 0.00 C
219
+ ATOM 217 C GLN A 50 -8.138 7.339 14.807 1.00 0.00 C
220
+ ATOM 218 O GLN A 50 -9.082 8.020 15.233 1.00 0.00 O
221
+ ATOM 219 N GLY A 51 -6.869 7.646 15.034 1.00 0.00 N
222
+ ATOM 220 CA GLY A 51 -6.524 8.857 15.761 1.00 0.00 C
223
+ ATOM 221 C GLY A 51 -5.042 8.934 15.994 1.00 0.00 C
224
+ ATOM 222 O GLY A 51 -4.293 8.149 15.444 1.00 0.00 O
225
+ ATOM 223 N PHE A 52 -4.622 9.865 16.849 1.00 0.00 N
226
+ ATOM 224 CA PHE A 52 -3.230 10.169 17.015 1.00 0.00 C
227
+ ATOM 225 CB PHE A 52 -3.058 11.690 17.098 1.00 0.00 C
228
+ ATOM 226 C PHE A 52 -2.620 9.528 18.258 1.00 0.00 C
229
+ ATOM 227 O PHE A 52 -3.265 9.461 19.301 1.00 0.00 O
230
+ ATOM 228 N VAL A 53 -1.386 9.069 18.103 1.00 0.00 N
231
+ ATOM 229 CA VAL A 53 -0.520 8.668 19.237 1.00 0.00 C
232
+ ATOM 230 CB VAL A 53 -0.325 7.127 19.262 1.00 0.00 C
233
+ ATOM 231 C VAL A 53 0.817 9.373 19.079 1.00 0.00 C
234
+ ATOM 232 O VAL A 53 1.143 9.834 17.975 1.00 0.00 O
235
+ ATOM 233 N PRO A 54 1.631 9.463 20.165 1.00 0.00 N
236
+ ATOM 234 CA PRO A 54 2.923 10.110 20.056 1.00 0.00 C
237
+ ATOM 235 CB PRO A 54 3.474 10.067 21.500 1.00 0.00 C
238
+ ATOM 236 C PRO A 54 3.813 9.295 19.126 1.00 0.00 C
239
+ ATOM 237 O PRO A 54 3.904 8.071 19.254 1.00 0.00 O
240
+ ATOM 238 N ALA A 55 4.464 9.964 18.184 1.00 0.00 N
241
+ ATOM 239 CA ALA A 55 5.363 9.249 17.254 1.00 0.00 C
242
+ ATOM 240 CB ALA A 55 5.966 10.217 16.235 1.00 0.00 C
243
+ ATOM 241 C ALA A 55 6.501 8.514 17.952 1.00 0.00 C
244
+ ATOM 242 O ALA A 55 6.992 7.485 17.433 1.00 0.00 O
245
+ ATOM 243 N ALA A 56 6.980 9.056 19.073 1.00 0.00 N
246
+ ATOM 244 CA ALA A 56 8.115 8.431 19.762 1.00 0.00 C
247
+ ATOM 245 CB ALA A 56 8.634 9.325 20.890 1.00 0.00 C
248
+ ATOM 246 C ALA A 56 7.735 7.066 20.345 1.00 0.00 C
249
+ ATOM 247 O ALA A 56 8.616 6.293 20.745 1.00 0.00 O
250
+ ATOM 248 N TYR A 57 6.445 6.809 20.493 1.00 0.00 N
251
+ ATOM 249 CA TYR A 57 6.019 5.574 21.190 1.00 0.00 C
252
+ ATOM 250 CB TYR A 57 4.752 5.773 22.001 1.00 0.00 C
253
+ ATOM 251 C TYR A 57 5.763 4.406 20.223 1.00 0.00 C
254
+ ATOM 252 O TYR A 57 5.314 3.335 20.657 1.00 0.00 O
255
+ ATOM 253 N VAL A 58 6.031 4.630 18.934 1.00 0.00 N
256
+ ATOM 254 CA VAL A 58 5.877 3.554 17.936 1.00 0.00 C
257
+ ATOM 255 CB VAL A 58 4.675 3.748 17.007 1.00 0.00 C
258
+ ATOM 256 C VAL A 58 7.113 3.402 17.107 1.00 0.00 C
259
+ ATOM 257 O VAL A 58 7.944 4.314 17.029 1.00 0.00 O
260
+ ATOM 258 N LYS A 59 7.268 2.217 16.535 1.00 0.00 N
261
+ ATOM 259 CA LYS A 59 8.398 1.942 15.694 1.00 0.00 C
262
+ ATOM 260 CB LYS A 59 9.304 0.900 16.379 1.00 0.00 C
263
+ ATOM 261 C LYS A 59 7.872 1.407 14.365 1.00 0.00 C
264
+ ATOM 262 O LYS A 59 7.128 0.430 14.347 1.00 0.00 O
265
+ ATOM 263 N LYS A 60 8.248 2.059 13.263 1.00 0.00 N
266
+ ATOM 264 CA LYS A 60 7.897 1.598 11.920 1.00 0.00 C
267
+ ATOM 265 CB LYS A 60 8.472 2.549 10.858 1.00 0.00 C
268
+ ATOM 266 C LYS A 60 8.490 0.231 11.669 1.00 0.00 C
269
+ ATOM 267 O LYS A 60 9.617 -0.015 12.059 1.00 0.00 O
270
+ ATOM 268 N LEU A 61 7.746 -0.662 11.014 1.00 0.00 N
271
+ ATOM 269 CA LEU A 61 8.271 -2.009 10.710 1.00 0.00 C
272
+ ATOM 270 CB LEU A 61 7.252 -3.091 11.061 1.00 0.00 C
273
+ ATOM 271 C LEU A 61 8.735 -2.177 9.257 1.00 0.00 C
274
+ ATOM 272 O LEU A 61 8.169 -1.556 8.353 1.00 0.00 O
275
+ TER 273 LEU A 61
276
+ ENDMDL
277
+ END
structures/3zbe_5beads.pdb ADDED
@@ -0,0 +1,359 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ MODEL 0
2
+ ATOM 0 N MET A9993 -47.625 -8.776 -13.821 1.00 0.00 N
3
+ ATOM 1 CA MET A9993 -46.325 -9.416 -14.126 1.00 0.00 C
4
+ ATOM 2 CB MET A9993 -46.088 -9.454 -15.641 1.00 0.00 C
5
+ ATOM 3 C MET A9993 -45.188 -8.655 -13.453 1.00 0.00 C
6
+ ATOM 4 O MET A9993 -44.641 -7.712 -14.025 1.00 0.00 O
7
+ ATOM 5 N ASP A9994 -44.839 -9.064 -12.239 1.00 0.00 N
8
+ ATOM 6 CA ASP A9994 -43.771 -8.412 -11.487 1.00 0.00 C
9
+ ATOM 7 CB ASP A9994 -44.184 -6.987 -11.081 1.00 0.00 C
10
+ ATOM 8 C ASP A9994 -43.424 -9.234 -10.250 1.00 0.00 C
11
+ ATOM 9 O ASP A9994 -44.290 -9.896 -9.677 1.00 0.00 O
12
+ ATOM 10 N TYR A9995 -42.156 -9.202 -9.853 1.00 0.00 N
13
+ ATOM 11 CA TYR A9995 -41.685 -9.972 -8.700 1.00 0.00 C
14
+ ATOM 12 CB TYR A9995 -41.144 -11.342 -9.138 1.00 0.00 C
15
+ ATOM 13 C TYR A9995 -40.579 -9.220 -7.964 1.00 0.00 C
16
+ ATOM 14 O TYR A9995 -40.225 -8.100 -8.337 1.00 0.00 O
17
+ ATOM 15 N LYS A9996 -40.037 -9.859 -6.925 1.00 0.00 N
18
+ ATOM 16 CA LYS A9996 -38.892 -9.335 -6.175 1.00 0.00 C
19
+ ATOM 17 CB LYS A9996 -37.700 -9.100 -7.114 1.00 0.00 C
20
+ ATOM 18 C LYS A9996 -39.238 -8.035 -5.453 1.00 0.00 C
21
+ ATOM 19 O LYS A9996 -38.515 -7.040 -5.571 1.00 0.00 O
22
+ ATOM 20 N ASP A9997 -40.333 -8.036 -4.703 1.00 0.00 N
23
+ ATOM 21 CA ASP A9997 -40.749 -6.832 -3.981 1.00 0.00 C
24
+ ATOM 22 CB ASP A9997 -41.419 -5.840 -4.934 1.00 0.00 C
25
+ ATOM 23 C ASP A9997 -41.709 -7.143 -2.836 1.00 0.00 C
26
+ ATOM 24 O ASP A9997 -42.008 -6.260 -2.030 1.00 0.00 O
27
+ ATOM 25 N ASP A9998 -42.197 -8.382 -2.763 1.00 0.00 N
28
+ ATOM 26 CA ASP A9998 -43.159 -8.763 -1.724 1.00 0.00 C
29
+ ATOM 27 CB ASP A9998 -43.556 -10.239 -1.840 1.00 0.00 C
30
+ ATOM 28 C ASP A9998 -42.583 -8.494 -0.342 1.00 0.00 C
31
+ ATOM 29 O ASP A9998 -43.061 -7.623 0.381 1.00 0.00 O
32
+ ATOM 30 N ASP A9999 -41.549 -9.235 0.017 1.00 0.00 N
33
+ ATOM 31 CA ASP A9999 -40.843 -9.000 1.267 1.00 0.00 C
34
+ ATOM 32 CB ASP A9999 -41.028 -10.161 2.249 1.00 0.00 C
35
+ ATOM 33 C ASP A9999 -39.366 -8.792 0.988 1.00 0.00 C
36
+ ATOM 34 O ASP A9999 -38.534 -9.634 1.322 1.00 0.00 O
37
+ ATOM 35 N ASP A 0 -39.046 -7.675 0.353 1.00 0.00 N
38
+ ATOM 36 CA ASP A 0 -37.665 -7.366 0.014 1.00 0.00 C
39
+ ATOM 37 CB ASP A 0 -37.596 -6.347 -1.134 1.00 0.00 C
40
+ ATOM 38 C ASP A 0 -36.920 -6.862 1.245 1.00 0.00 C
41
+ ATOM 39 O ASP A 0 -35.849 -7.366 1.579 1.00 0.00 O
42
+ ATOM 40 N LYS A 1 -37.499 -5.888 1.933 1.00 0.00 N
43
+ ATOM 41 CA LYS A 1 -36.933 -5.412 3.186 1.00 0.00 C
44
+ ATOM 42 CB LYS A 1 -37.368 -3.966 3.470 1.00 0.00 C
45
+ ATOM 43 C LYS A 1 -37.339 -6.351 4.317 1.00 0.00 C
46
+ ATOM 44 O LYS A 1 -36.614 -6.500 5.297 1.00 0.00 O
47
+ ATOM 45 N ASN A 2 -38.502 -6.983 4.146 1.00 0.00 N
48
+ ATOM 46 CA ASN A 2 -38.953 -8.084 5.005 1.00 0.00 C
49
+ ATOM 47 CB ASN A 2 -38.095 -9.330 4.754 1.00 0.00 C
50
+ ATOM 48 C ASN A 2 -38.927 -7.717 6.489 1.00 0.00 C
51
+ ATOM 49 O ASN A 2 -37.962 -8.020 7.199 1.00 0.00 O
52
+ ATOM 50 N ARG A 3 -39.997 -7.072 6.945 1.00 0.00 N
53
+ ATOM 51 CA ARG A 3 -40.165 -6.725 8.353 1.00 0.00 C
54
+ ATOM 52 CB ARG A 3 -40.318 -7.993 9.197 1.00 0.00 C
55
+ ATOM 53 C ARG A 3 -38.999 -5.882 8.856 1.00 0.00 C
56
+ ATOM 54 O ARG A 3 -38.356 -6.212 9.854 1.00 0.00 O
57
+ ATOM 55 N ALA A 4 -38.740 -4.785 8.162 1.00 0.00 N
58
+ ATOM 56 CA ALA A 4 -37.656 -3.884 8.520 1.00 0.00 C
59
+ ATOM 57 CB ALA A 4 -37.143 -3.162 7.284 1.00 0.00 C
60
+ ATOM 58 C ALA A 4 -38.105 -2.883 9.581 1.00 0.00 C
61
+ ATOM 59 O ALA A 4 -37.889 -1.676 9.449 1.00 0.00 O
62
+ ATOM 60 N LEU A 5 -38.739 -3.389 10.631 1.00 0.00 N
63
+ ATOM 61 CA LEU A 5 -39.166 -2.554 11.746 1.00 0.00 C
64
+ ATOM 62 CB LEU A 5 -40.274 -3.239 12.566 1.00 0.00 C
65
+ ATOM 63 C LEU A 5 -37.972 -2.258 12.640 1.00 0.00 C
66
+ ATOM 64 O LEU A 5 -37.830 -2.844 13.717 1.00 0.00 O
67
+ ATOM 65 N SER A 6 -37.125 -1.346 12.177 1.00 0.00 N
68
+ ATOM 66 CA SER A 6 -35.850 -1.060 12.821 1.00 0.00 C
69
+ ATOM 67 CB SER A 6 -36.059 -0.548 14.253 1.00 0.00 C
70
+ ATOM 68 C SER A 6 -34.981 -2.317 12.811 1.00 0.00 C
71
+ ATOM 69 O SER A 6 -34.876 -3.020 13.818 1.00 0.00 O
72
+ ATOM 70 N PRO A 7 -34.365 -2.626 11.657 1.00 0.00 N
73
+ ATOM 71 CA PRO A 7 -33.544 -3.830 11.492 1.00 0.00 C
74
+ ATOM 72 CB PRO A 7 -33.367 -3.930 9.974 1.00 0.00 C
75
+ ATOM 73 C PRO A 7 -32.193 -3.707 12.190 1.00 0.00 C
76
+ ATOM 74 O PRO A 7 -31.144 -3.740 11.544 1.00 0.00 O
77
+ ATOM 75 N MET A 8 -32.246 -3.565 13.516 1.00 0.00 N
78
+ ATOM 76 CA MET A 8 -31.059 -3.397 14.357 1.00 0.00 C
79
+ ATOM 77 CB MET A 8 -30.009 -4.477 14.081 1.00 0.00 C
80
+ ATOM 78 C MET A 8 -30.454 -2.012 14.179 1.00 0.00 C
81
+ ATOM 79 O MET A 8 -30.444 -1.458 13.078 1.00 0.00 O
82
+ ATOM 80 N VAL A 9 -29.975 -1.444 15.280 1.00 0.00 N
83
+ ATOM 81 CA VAL A 9 -29.361 -0.124 15.258 1.00 0.00 C
84
+ ATOM 82 CB VAL A 9 -28.927 0.338 16.667 1.00 0.00 C
85
+ ATOM 83 C VAL A 9 -28.166 -0.088 14.311 1.00 0.00 C
86
+ ATOM 84 O VAL A 9 -27.251 -0.913 14.405 1.00 0.00 O
87
+ ATOM 85 N SER A 10 -28.203 0.861 13.390 1.00 0.00 N
88
+ ATOM 86 CA SER A 10 -27.175 1.005 12.376 1.00 0.00 C
89
+ ATOM 87 CB SER A 10 -27.209 -0.196 11.418 1.00 0.00 C
90
+ ATOM 88 C SER A 10 -27.409 2.316 11.627 1.00 0.00 C
91
+ ATOM 89 O SER A 10 -28.120 3.194 12.126 1.00 0.00 O
92
+ ATOM 90 N GLU A 11 -26.812 2.459 10.452 1.00 0.00 N
93
+ ATOM 91 CA GLU A 11 -27.036 3.633 9.621 1.00 0.00 C
94
+ ATOM 92 CB GLU A 11 -26.077 3.643 8.431 1.00 0.00 C
95
+ ATOM 93 C GLU A 11 -28.480 3.659 9.129 1.00 0.00 C
96
+ ATOM 94 O GLU A 11 -28.827 3.004 8.145 1.00 0.00 O
97
+ ATOM 95 N PHE A 12 -29.315 4.425 9.816 1.00 0.00 N
98
+ ATOM 96 CA PHE A 12 -30.746 4.468 9.534 1.00 0.00 C
99
+ ATOM 97 CB PHE A 12 -31.491 5.126 10.700 1.00 0.00 C
100
+ ATOM 98 C PHE A 12 -31.048 5.203 8.232 1.00 0.00 C
101
+ ATOM 99 O PHE A 12 -32.186 5.219 7.766 1.00 0.00 O
102
+ ATOM 100 N GLU A 13 -30.028 5.815 7.655 1.00 0.00 N
103
+ ATOM 101 CA GLU A 13 -30.187 6.539 6.402 1.00 0.00 C
104
+ ATOM 102 CB GLU A 13 -29.035 7.533 6.213 1.00 0.00 C
105
+ ATOM 103 C GLU A 13 -30.259 5.581 5.213 1.00 0.00 C
106
+ ATOM 104 O GLU A 13 -30.767 5.937 4.146 1.00 0.00 O
107
+ ATOM 105 N THR A 14 -29.778 4.362 5.397 1.00 0.00 N
108
+ ATOM 106 CA THR A 14 -29.741 3.411 4.304 1.00 0.00 C
109
+ ATOM 107 CB THR A 14 -28.363 3.404 3.601 1.00 0.00 C
110
+ ATOM 108 C THR A 14 -30.115 2.004 4.767 1.00 0.00 C
111
+ ATOM 109 O THR A 14 -29.384 1.350 5.511 1.00 0.00 O
112
+ ATOM 110 N ILE A 15 -31.281 1.555 4.337 1.00 0.00 N
113
+ ATOM 111 CA ILE A 15 -31.726 0.202 4.608 1.00 0.00 C
114
+ ATOM 112 CB ILE A 15 -33.269 0.111 4.641 1.00 0.00 C
115
+ ATOM 113 C ILE A 15 -31.182 -0.740 3.540 1.00 0.00 C
116
+ ATOM 114 O ILE A 15 -30.777 -1.864 3.830 1.00 0.00 O
117
+ ATOM 115 N GLU A 16 -31.140 -0.243 2.307 1.00 0.00 N
118
+ ATOM 116 CA GLU A 16 -30.698 -1.027 1.158 1.00 0.00 C
119
+ ATOM 117 CB GLU A 16 -30.762 -0.180 -0.110 1.00 0.00 C
120
+ ATOM 118 C GLU A 16 -29.286 -1.570 1.344 1.00 0.00 C
121
+ ATOM 119 O GLU A 16 -29.033 -2.751 1.099 1.00 0.00 O
122
+ ATOM 120 N GLN A 17 -28.366 -0.714 1.779 1.00 0.00 N
123
+ ATOM 121 CA GLN A 17 -26.988 -1.137 1.991 1.00 0.00 C
124
+ ATOM 122 CB GLN A 17 -26.085 0.049 2.337 1.00 0.00 C
125
+ ATOM 123 C GLN A 17 -26.911 -2.193 3.082 1.00 0.00 C
126
+ ATOM 124 O GLN A 17 -26.258 -3.221 2.911 1.00 0.00 O
127
+ ATOM 125 N GLU A 18 -27.609 -1.953 4.186 1.00 0.00 N
128
+ ATOM 126 CA GLU A 18 -27.620 -2.895 5.297 1.00 0.00 C
129
+ ATOM 127 CB GLU A 18 -28.402 -2.331 6.486 1.00 0.00 C
130
+ ATOM 128 C GLU A 18 -28.207 -4.231 4.856 1.00 0.00 C
131
+ ATOM 129 O GLU A 18 -27.690 -5.291 5.206 1.00 0.00 O
132
+ ATOM 130 N ASN A 19 -29.273 -4.173 4.062 1.00 0.00 N
133
+ ATOM 131 CA ASN A 19 -29.870 -5.380 3.502 1.00 0.00 C
134
+ ATOM 132 CB ASN A 19 -31.120 -5.063 2.671 1.00 0.00 C
135
+ ATOM 133 C ASN A 19 -28.855 -6.114 2.637 1.00 0.00 C
136
+ ATOM 134 O ASN A 19 -28.697 -7.326 2.750 1.00 0.00 O
137
+ ATOM 135 N SER A 20 -28.145 -5.369 1.799 1.00 0.00 N
138
+ ATOM 136 CA SER A 20 -27.148 -5.954 0.913 1.00 0.00 C
139
+ ATOM 137 CB SER A 20 -26.530 -4.873 0.017 1.00 0.00 C
140
+ ATOM 138 C SER A 20 -26.064 -6.667 1.719 1.00 0.00 C
141
+ ATOM 139 O SER A 20 -25.652 -7.777 1.376 1.00 0.00 O
142
+ ATOM 140 N TYR A 21 -25.623 -6.039 2.806 1.00 0.00 N
143
+ ATOM 141 CA TYR A 21 -24.608 -6.635 3.665 1.00 0.00 C
144
+ ATOM 142 CB TYR A 21 -24.122 -5.641 4.722 1.00 0.00 C
145
+ ATOM 143 C TYR A 21 -25.140 -7.889 4.348 1.00 0.00 C
146
+ ATOM 144 O TYR A 21 -24.433 -8.889 4.452 1.00 0.00 O
147
+ ATOM 145 N ASN A 22 -26.389 -7.832 4.801 1.00 0.00 N
148
+ ATOM 146 CA ASN A 22 -27.002 -8.960 5.500 1.00 0.00 C
149
+ ATOM 147 CB ASN A 22 -28.316 -8.549 6.180 1.00 0.00 C
150
+ ATOM 148 C ASN A 22 -27.255 -10.122 4.548 1.00 0.00 C
151
+ ATOM 149 O ASN A 22 -26.877 -11.257 4.837 1.00 0.00 O
152
+ ATOM 150 N GLU A 23 -27.878 -9.834 3.408 1.00 0.00 N
153
+ ATOM 151 CA GLU A 23 -28.198 -10.865 2.421 1.00 0.00 C
154
+ ATOM 152 CB GLU A 23 -28.903 -10.256 1.202 1.00 0.00 C
155
+ ATOM 153 C GLU A 23 -26.949 -11.609 1.968 1.00 0.00 C
156
+ ATOM 154 O GLU A 23 -26.928 -12.843 1.934 1.00 0.00 O
157
+ ATOM 155 N TRP A 24 -25.910 -10.856 1.634 1.00 0.00 N
158
+ ATOM 156 CA TRP A 24 -24.676 -11.445 1.138 1.00 0.00 C
159
+ ATOM 157 CB TRP A 24 -23.758 -10.362 0.568 1.00 0.00 C
160
+ ATOM 158 C TRP A 24 -23.959 -12.220 2.238 1.00 0.00 C
161
+ ATOM 159 O TRP A 24 -23.480 -13.333 2.014 1.00 0.00 O
162
+ ATOM 160 N LEU A 25 -23.905 -11.641 3.432 1.00 0.00 N
163
+ ATOM 161 CA LEU A 25 -23.196 -12.265 4.541 1.00 0.00 C
164
+ ATOM 162 CB LEU A 25 -23.072 -11.299 5.724 1.00 0.00 C
165
+ ATOM 163 C LEU A 25 -23.899 -13.542 4.978 1.00 0.00 C
166
+ ATOM 164 O LEU A 25 -23.261 -14.570 5.166 1.00 0.00 O
167
+ ATOM 165 N ARG A 26 -25.218 -13.476 5.111 1.00 0.00 N
168
+ ATOM 166 CA ARG A 26 -26.005 -14.626 5.548 1.00 0.00 C
169
+ ATOM 167 CB ARG A 26 -27.469 -14.224 5.732 1.00 0.00 C
170
+ ATOM 168 C ARG A 26 -25.895 -15.780 4.551 1.00 0.00 C
171
+ ATOM 169 O ARG A 26 -25.915 -16.952 4.934 1.00 0.00 O
172
+ ATOM 170 N ALA A 27 -25.775 -15.446 3.273 1.00 0.00 N
173
+ ATOM 171 CA ALA A 27 -25.634 -16.455 2.235 1.00 0.00 C
174
+ ATOM 172 CB ALA A 27 -25.895 -15.847 0.866 1.00 0.00 C
175
+ ATOM 173 C ALA A 27 -24.248 -17.080 2.279 1.00 0.00 C
176
+ ATOM 174 O ALA A 27 -24.094 -18.295 2.154 1.00 0.00 O
177
+ ATOM 175 N LYS A 28 -23.245 -16.241 2.480 1.00 0.00 N
178
+ ATOM 176 CA LYS A 28 -21.862 -16.688 2.477 1.00 0.00 C
179
+ ATOM 177 CB LYS A 28 -20.930 -15.492 2.259 1.00 0.00 C
180
+ ATOM 178 C LYS A 28 -21.515 -17.413 3.781 1.00 0.00 C
181
+ ATOM 179 O LYS A 28 -20.787 -18.407 3.776 1.00 0.00 O
182
+ ATOM 180 N VAL A 29 -22.061 -16.928 4.892 1.00 0.00 N
183
+ ATOM 181 CA VAL A 29 -21.794 -17.517 6.201 1.00 0.00 C
184
+ ATOM 182 CB VAL A 29 -22.253 -16.588 7.352 1.00 0.00 C
185
+ ATOM 183 C VAL A 29 -22.471 -18.883 6.332 1.00 0.00 C
186
+ ATOM 184 O VAL A 29 -22.204 -19.636 7.269 1.00 0.00 O
187
+ ATOM 185 N ALA A 30 -23.345 -19.200 5.383 1.00 0.00 N
188
+ ATOM 186 CA ALA A 30 -23.977 -20.510 5.337 1.00 0.00 C
189
+ ATOM 187 CB ALA A 30 -25.187 -20.487 4.416 1.00 0.00 C
190
+ ATOM 188 C ALA A 30 -22.969 -21.556 4.878 1.00 0.00 C
191
+ ATOM 189 O ALA A 30 -23.131 -22.753 5.127 1.00 0.00 O
192
+ ATOM 190 N THR A 31 -21.928 -21.091 4.201 1.00 0.00 N
193
+ ATOM 191 CA THR A 31 -20.836 -21.949 3.783 1.00 0.00 C
194
+ ATOM 192 CB THR A 31 -20.214 -21.436 2.468 1.00 0.00 C
195
+ ATOM 193 C THR A 31 -19.766 -21.990 4.874 1.00 0.00 C
196
+ ATOM 194 O THR A 31 -18.949 -22.907 4.934 1.00 0.00 O
197
+ ATOM 195 N SER A 32 -19.788 -20.988 5.745 1.00 0.00 N
198
+ ATOM 196 CA SER A 32 -18.818 -20.887 6.826 1.00 0.00 C
199
+ ATOM 197 CB SER A 32 -18.881 -19.492 7.453 1.00 0.00 C
200
+ ATOM 198 C SER A 32 -19.077 -21.950 7.891 1.00 0.00 C
201
+ ATOM 199 O SER A 32 -20.217 -22.132 8.327 1.00 0.00 O
202
+ ATOM 200 N LEU A 33 -18.013 -22.657 8.285 1.00 0.00 N
203
+ ATOM 201 CA LEU A 33 -18.084 -23.688 9.325 1.00 0.00 C
204
+ ATOM 202 CB LEU A 33 -18.589 -23.095 10.645 1.00 0.00 C
205
+ ATOM 203 C LEU A 33 -18.989 -24.842 8.906 1.00 0.00 C
206
+ ATOM 204 O LEU A 33 -19.484 -25.594 9.747 1.00 0.00 O
207
+ ATOM 205 N ALA A 34 -19.204 -24.977 7.611 1.00 0.00 N
208
+ ATOM 206 CA ALA A 34 -20.051 -26.031 7.086 1.00 0.00 C
209
+ ATOM 207 CB ALA A 34 -21.483 -25.536 6.941 1.00 0.00 C
210
+ ATOM 208 C ALA A 34 -19.524 -26.523 5.748 1.00 0.00 C
211
+ ATOM 209 O ALA A 34 -19.148 -25.723 4.891 1.00 0.00 O
212
+ ATOM 210 N ASP A 35 -19.486 -27.832 5.569 1.00 0.00 N
213
+ ATOM 211 CA ASP A 35 -19.064 -28.408 4.301 1.00 0.00 C
214
+ ATOM 212 CB ASP A 35 -17.697 -29.086 4.462 1.00 0.00 C
215
+ ATOM 213 C ASP A 35 -20.112 -29.405 3.806 1.00 0.00 C
216
+ ATOM 214 O ASP A 35 -19.907 -30.619 3.849 1.00 0.00 O
217
+ ATOM 215 N PRO A 36 -21.273 -28.900 3.355 1.00 0.00 N
218
+ ATOM 216 CA PRO A 36 -22.345 -29.722 2.816 1.00 0.00 C
219
+ ATOM 217 CB PRO A 36 -23.612 -28.916 3.155 1.00 0.00 C
220
+ ATOM 218 C PRO A 36 -22.212 -29.917 1.306 1.00 0.00 C
221
+ ATOM 219 O PRO A 36 -21.941 -31.024 0.838 1.00 0.00 O
222
+ ATOM 220 N ARG A 37 -22.398 -28.837 0.552 1.00 0.00 N
223
+ ATOM 221 CA ARG A 37 -22.238 -28.870 -0.896 1.00 0.00 C
224
+ ATOM 222 CB ARG A 37 -23.594 -28.967 -1.604 1.00 0.00 C
225
+ ATOM 223 C ARG A 37 -21.514 -27.616 -1.385 1.00 0.00 C
226
+ ATOM 224 O ARG A 37 -22.117 -26.765 -2.039 1.00 0.00 O
227
+ ATOM 225 N PRO A 38 -20.220 -27.466 -1.064 1.00 0.00 N
228
+ ATOM 226 CA PRO A 38 -19.424 -26.336 -1.537 1.00 0.00 C
229
+ ATOM 227 CB PRO A 38 -18.132 -26.412 -0.709 1.00 0.00 C
230
+ ATOM 228 C PRO A 38 -19.118 -26.475 -3.020 1.00 0.00 C
231
+ ATOM 229 O PRO A 38 -18.278 -27.285 -3.415 1.00 0.00 O
232
+ ATOM 230 N ALA A 39 -19.815 -25.695 -3.836 1.00 0.00 N
233
+ ATOM 231 CA ALA A 39 -19.684 -25.776 -5.283 1.00 0.00 C
234
+ ATOM 232 CB ALA A 39 -20.847 -25.065 -5.960 1.00 0.00 C
235
+ ATOM 233 C ALA A 39 -18.356 -25.200 -5.755 1.00 0.00 C
236
+ ATOM 234 O ALA A 39 -18.291 -24.086 -6.275 1.00 0.00 O
237
+ ATOM 235 N ILE A 40 -17.297 -25.965 -5.551 1.00 0.00 N
238
+ ATOM 236 CA ILE A 40 -15.975 -25.598 -6.020 1.00 0.00 C
239
+ ATOM 237 CB ILE A 40 -14.907 -25.778 -4.924 1.00 0.00 C
240
+ ATOM 238 C ILE A 40 -15.614 -26.451 -7.229 1.00 0.00 C
241
+ ATOM 239 O ILE A 40 -15.200 -27.605 -7.094 1.00 0.00 O
242
+ ATOM 240 N PRO A 41 -15.799 -25.904 -8.431 1.00 0.00 N
243
+ ATOM 241 CA PRO A 41 -15.587 -26.640 -9.666 1.00 0.00 C
244
+ ATOM 242 CB PRO A 41 -16.491 -25.889 -10.641 1.00 0.00 C
245
+ ATOM 243 C PRO A 41 -14.133 -26.597 -10.135 1.00 0.00 C
246
+ ATOM 244 O PRO A 41 -13.603 -25.525 -10.430 1.00 0.00 O
247
+ ATOM 245 N HIS A 42 -13.479 -27.758 -10.196 1.00 0.00 N
248
+ ATOM 246 CA HIS A 42 -12.110 -27.810 -10.703 1.00 0.00 C
249
+ ATOM 247 CB HIS A 42 -11.201 -28.744 -9.872 1.00 0.00 C
250
+ ATOM 248 C HIS A 42 -12.060 -28.145 -12.200 1.00 0.00 C
251
+ ATOM 249 O HIS A 42 -11.754 -27.278 -13.012 1.00 0.00 O
252
+ ATOM 250 N ASP A 43 -12.376 -29.384 -12.574 1.00 0.00 N
253
+ ATOM 251 CA ASP A 43 -12.219 -29.810 -13.968 1.00 0.00 C
254
+ ATOM 252 CB ASP A 43 -11.572 -31.195 -14.048 1.00 0.00 C
255
+ ATOM 253 C ASP A 43 -13.541 -29.855 -14.721 1.00 0.00 C
256
+ ATOM 254 O ASP A 43 -13.809 -29.019 -15.584 1.00 0.00 O
257
+ ATOM 255 N GLU A 44 -14.381 -30.813 -14.361 1.00 0.00 N
258
+ ATOM 256 CA GLU A 44 -15.580 -31.104 -15.135 1.00 0.00 C
259
+ ATOM 257 CB GLU A 44 -15.972 -32.571 -14.989 1.00 0.00 C
260
+ ATOM 258 C GLU A 44 -16.734 -30.219 -14.720 1.00 0.00 C
261
+ ATOM 259 O GLU A 44 -17.586 -29.875 -15.532 1.00 0.00 O
262
+ ATOM 260 N VAL A 45 -16.766 -29.846 -13.460 1.00 0.00 N
263
+ ATOM 261 CA VAL A 45 -17.818 -28.976 -12.979 1.00 0.00 C
264
+ ATOM 262 CB VAL A 45 -17.935 -29.013 -11.444 1.00 0.00 C
265
+ ATOM 263 C VAL A 45 -17.568 -27.550 -13.459 1.00 0.00 C
266
+ ATOM 264 O VAL A 45 -18.501 -26.823 -13.787 1.00 0.00 O
267
+ ATOM 265 N GLU A 46 -16.297 -27.170 -13.548 1.00 0.00 N
268
+ ATOM 266 CA GLU A 46 -15.943 -25.820 -13.977 1.00 0.00 C
269
+ ATOM 267 CB GLU A 46 -14.457 -25.525 -13.751 1.00 0.00 C
270
+ ATOM 268 C GLU A 46 -16.295 -25.613 -15.439 1.00 0.00 C
271
+ ATOM 269 O GLU A 46 -16.780 -24.553 -15.820 1.00 0.00 O
272
+ ATOM 270 N ARG A 47 -16.072 -26.634 -16.252 1.00 0.00 N
273
+ ATOM 271 CA ARG A 47 -16.398 -26.552 -17.666 1.00 0.00 C
274
+ ATOM 272 CB ARG A 47 -15.808 -27.742 -18.427 1.00 0.00 C
275
+ ATOM 273 C ARG A 47 -17.912 -26.479 -17.855 1.00 0.00 C
276
+ ATOM 274 O ARG A 47 -18.396 -25.975 -18.866 1.00 0.00 O
277
+ ATOM 275 N ARG A 48 -18.653 -26.968 -16.862 1.00 0.00 N
278
+ ATOM 276 CA ARG A 48 -20.109 -26.888 -16.878 1.00 0.00 C
279
+ ATOM 277 CB ARG A 48 -20.722 -27.930 -15.937 1.00 0.00 C
280
+ ATOM 278 C ARG A 48 -20.557 -25.486 -16.479 1.00 0.00 C
281
+ ATOM 279 O ARG A 48 -21.459 -24.912 -17.090 1.00 0.00 O
282
+ ATOM 280 N MET A 49 -19.918 -24.937 -15.453 1.00 0.00 N
283
+ ATOM 281 CA MET A 49 -20.166 -23.557 -15.045 1.00 0.00 C
284
+ ATOM 282 CB MET A 49 -19.412 -23.234 -13.751 1.00 0.00 C
285
+ ATOM 283 C MET A 49 -19.747 -22.595 -16.150 1.00 0.00 C
286
+ ATOM 284 O MET A 49 -20.377 -21.558 -16.363 1.00 0.00 O
287
+ ATOM 285 N ALA A 50 -18.683 -22.959 -16.856 1.00 0.00 N
288
+ ATOM 286 CA ALA A 50 -18.192 -22.183 -17.982 1.00 0.00 C
289
+ ATOM 287 CB ALA A 50 -16.951 -22.835 -18.567 1.00 0.00 C
290
+ ATOM 288 C ALA A 50 -19.263 -22.033 -19.052 1.00 0.00 C
291
+ ATOM 289 O ALA A 50 -19.359 -20.990 -19.696 1.00 0.00 O
292
+ ATOM 290 N GLU A 51 -20.072 -23.074 -19.222 1.00 0.00 N
293
+ ATOM 291 CA GLU A 51 -21.175 -23.044 -20.175 1.00 0.00 C
294
+ ATOM 292 CB GLU A 51 -21.906 -24.389 -20.197 1.00 0.00 C
295
+ ATOM 293 C GLU A 51 -22.154 -21.934 -19.812 1.00 0.00 C
296
+ ATOM 294 O GLU A 51 -22.645 -21.212 -20.680 1.00 0.00 O
297
+ ATOM 295 N ARG A 52 -22.413 -21.796 -18.519 1.00 0.00 N
298
+ ATOM 296 CA ARG A 52 -23.313 -20.770 -18.021 1.00 0.00 C
299
+ ATOM 297 CB ARG A 52 -23.568 -20.976 -16.525 1.00 0.00 C
300
+ ATOM 298 C ARG A 52 -22.736 -19.381 -18.275 1.00 0.00 C
301
+ ATOM 299 O ARG A 52 -23.421 -18.506 -18.797 1.00 0.00 O
302
+ ATOM 300 N PHE A 53 -21.468 -19.195 -17.930 1.00 0.00 N
303
+ ATOM 301 CA PHE A 53 -20.810 -17.909 -18.115 1.00 0.00 C
304
+ ATOM 302 CB PHE A 53 -19.415 -17.925 -17.486 1.00 0.00 C
305
+ ATOM 303 C PHE A 53 -20.719 -17.556 -19.596 1.00 0.00 C
306
+ ATOM 304 O PHE A 53 -20.796 -16.386 -19.971 1.00 0.00 O
307
+ ATOM 305 N ALA A 54 -20.572 -18.577 -20.431 1.00 0.00 N
308
+ ATOM 306 CA ALA A 54 -20.492 -18.388 -21.872 1.00 0.00 C
309
+ ATOM 307 CB ALA A 54 -20.177 -19.705 -22.560 1.00 0.00 C
310
+ ATOM 308 C ALA A 54 -21.784 -17.798 -22.426 1.00 0.00 C
311
+ ATOM 309 O ALA A 54 -21.758 -16.808 -23.155 1.00 0.00 O
312
+ ATOM 310 N LYS A 55 -22.919 -18.391 -22.068 1.00 0.00 N
313
+ ATOM 311 CA LYS A 55 -24.205 -17.908 -22.557 1.00 0.00 C
314
+ ATOM 312 CB LYS A 55 -25.283 -19.002 -22.463 1.00 0.00 C
315
+ ATOM 313 C LYS A 55 -24.628 -16.639 -21.820 1.00 0.00 C
316
+ ATOM 314 O LYS A 55 -25.495 -15.898 -22.282 1.00 0.00 O
317
+ ATOM 315 N MET A 56 -24.005 -16.400 -20.675 1.00 0.00 N
318
+ ATOM 316 CA MET A 56 -24.255 -15.193 -19.897 1.00 0.00 C
319
+ ATOM 317 CB MET A 56 -23.841 -15.408 -18.438 1.00 0.00 C
320
+ ATOM 318 C MET A 56 -23.491 -14.020 -20.501 1.00 0.00 C
321
+ ATOM 319 O MET A 56 -23.788 -12.854 -20.230 1.00 0.00 O
322
+ ATOM 320 N ARG A 57 -22.506 -14.343 -21.330 1.00 0.00 N
323
+ ATOM 321 CA ARG A 57 -21.713 -13.335 -22.017 1.00 0.00 C
324
+ ATOM 322 CB ARG A 57 -20.513 -13.990 -22.704 1.00 0.00 C
325
+ ATOM 323 C ARG A 57 -22.581 -12.599 -23.033 1.00 0.00 C
326
+ ATOM 324 O ARG A 57 -22.372 -11.417 -23.308 1.00 0.00 O
327
+ ATOM 325 N LYS A 58 -23.570 -13.302 -23.564 1.00 0.00 N
328
+ ATOM 326 CA LYS A 58 -24.515 -12.710 -24.498 1.00 0.00 C
329
+ ATOM 327 CB LYS A 58 -24.910 -13.717 -25.577 1.00 0.00 C
330
+ ATOM 328 C LYS A 58 -25.760 -12.241 -23.760 1.00 0.00 C
331
+ ATOM 329 O LYS A 58 -26.388 -13.024 -23.049 1.00 0.00 O
332
+ ATOM 330 N GLU A 59 -26.096 -10.962 -23.934 1.00 0.00 N
333
+ ATOM 331 CA GLU A 59 -27.271 -10.352 -23.302 1.00 0.00 C
334
+ ATOM 332 CB GLU A 59 -28.555 -11.088 -23.699 1.00 0.00 C
335
+ ATOM 333 C GLU A 59 -27.133 -10.312 -21.779 1.00 0.00 C
336
+ ATOM 334 O GLU A 59 -27.275 -11.328 -21.095 1.00 0.00 O
337
+ ATOM 335 N ARG A 60 -26.859 -9.127 -21.248 1.00 0.00 N
338
+ ATOM 336 CA ARG A 60 -26.678 -8.960 -19.815 1.00 0.00 C
339
+ ATOM 337 CB ARG A 60 -25.795 -7.742 -19.532 1.00 0.00 C
340
+ ATOM 338 C ARG A 60 -28.026 -8.812 -19.115 1.00 0.00 C
341
+ ATOM 339 O ARG A 60 -28.403 -9.650 -18.295 1.00 0.00 O
342
+ ATOM 340 N SER A 61 -28.752 -7.756 -19.449 1.00 0.00 N
343
+ ATOM 341 CA SER A 61 -30.037 -7.485 -18.825 1.00 0.00 C
344
+ ATOM 342 CB SER A 61 -29.819 -6.818 -17.462 1.00 0.00 C
345
+ ATOM 343 C SER A 61 -30.908 -6.610 -19.724 1.00 0.00 C
346
+ ATOM 344 O SER A 61 -30.865 -5.379 -19.653 1.00 0.00 O
347
+ ATOM 345 N LYS A 62 -31.699 -7.245 -20.578 1.00 0.00 N
348
+ ATOM 346 CA LYS A 62 -32.592 -6.510 -21.457 1.00 0.00 C
349
+ ATOM 347 CB LYS A 62 -32.889 -7.309 -22.727 1.00 0.00 C
350
+ ATOM 348 C LYS A 62 -33.884 -6.178 -20.721 1.00 0.00 C
351
+ ATOM 349 O LYS A 62 -34.885 -6.887 -20.841 1.00 0.00 O
352
+ ATOM 350 N GLN A 63 -33.843 -5.115 -19.937 1.00 0.00 N
353
+ ATOM 351 CA GLN A 63 -34.998 -4.679 -19.175 1.00 0.00 C
354
+ ATOM 352 CB GLN A 63 -35.009 -5.313 -17.777 1.00 0.00 C
355
+ ATOM 353 C GLN A 63 -35.015 -3.160 -19.087 1.00 0.00 C
356
+ ATOM 354 O GLN A 63 -36.065 -2.559 -19.387 1.00 0.00 O
357
+ TER 355 GLN A 63
358
+ ENDMDL
359
+ END
structures/cln_5beads.pdb ADDED
@@ -0,0 +1,53 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ MODEL 0
2
+ ATOM 0 N TYR A 2 2.155 -4.622 -3.559 1.00 0.00 N
3
+ ATOM 1 CA TYR A 2 2.760 -3.479 -2.934 1.00 0.00 C
4
+ ATOM 2 CB TYR A 2 3.239 -2.394 -3.993 1.00 0.00 C
5
+ ATOM 3 C TYR A 2 1.877 -2.840 -1.791 1.00 0.00 C
6
+ ATOM 4 O TYR A 2 0.665 -3.015 -1.755 1.00 0.00 O
7
+ ATOM 5 N TYR A 3 2.555 -2.149 -0.770 1.00 0.00 N
8
+ ATOM 6 CA TYR A 3 1.933 -1.500 0.410 1.00 0.00 C
9
+ ATOM 7 CB TYR A 3 2.781 -1.910 1.599 1.00 0.00 C
10
+ ATOM 8 C TYR A 3 1.970 0.060 0.259 1.00 0.00 C
11
+ ATOM 9 O TYR A 3 2.911 0.613 -0.262 1.00 0.00 O
12
+ ATOM 10 N ASP A 4 0.885 0.806 0.625 1.00 0.00 N
13
+ ATOM 11 CA ASP A 4 0.830 2.317 0.805 1.00 0.00 C
14
+ ATOM 12 CB ASP A 4 -0.177 3.128 -0.064 1.00 0.00 C
15
+ ATOM 13 C ASP A 4 0.782 2.765 2.239 1.00 0.00 C
16
+ ATOM 14 O ASP A 4 -0.325 2.792 2.837 1.00 0.00 O
17
+ ATOM 15 N PRO A 5 1.905 3.224 2.857 1.00 0.00 N
18
+ ATOM 16 CA PRO A 5 1.929 3.580 4.245 1.00 0.00 C
19
+ ATOM 17 CB PRO A 5 3.452 3.616 4.561 1.00 0.00 C
20
+ ATOM 18 C PRO A 5 1.045 4.902 4.507 1.00 0.00 C
21
+ ATOM 19 O PRO A 5 0.754 5.065 5.654 1.00 0.00 O
22
+ ATOM 20 N GLU A 6 0.755 5.760 3.575 1.00 0.00 N
23
+ ATOM 21 CA GLU A 6 -0.133 6.904 3.719 1.00 0.00 C
24
+ ATOM 22 CB GLU A 6 0.054 7.756 2.484 1.00 0.00 C
25
+ ATOM 23 C GLU A 6 -1.597 6.609 3.914 1.00 0.00 C
26
+ ATOM 24 O GLU A 6 -2.334 7.407 4.499 1.00 0.00 O
27
+ ATOM 25 N THR A 7 -2.030 5.478 3.335 1.00 0.00 N
28
+ ATOM 26 CA THR A 7 -3.446 4.979 3.269 1.00 0.00 C
29
+ ATOM 27 CB THR A 7 -3.836 4.894 1.772 1.00 0.00 C
30
+ ATOM 28 C THR A 7 -3.631 3.727 4.109 1.00 0.00 C
31
+ ATOM 29 O THR A 7 -4.791 3.367 4.449 1.00 0.00 O
32
+ ATOM 30 N GLY A 8 -2.608 2.972 4.517 1.00 0.00 N
33
+ ATOM 31 CA GLY A 8 -2.660 1.700 5.235 1.00 0.00 C
34
+ ATOM 32 C GLY A 8 -3.125 0.526 4.377 1.00 0.00 C
35
+ ATOM 33 O GLY A 8 -3.642 -0.436 4.999 1.00 0.00 O
36
+ ATOM 34 N THR A 9 -3.012 0.577 3.033 1.00 0.00 N
37
+ ATOM 35 CA THR A 9 -3.607 -0.404 2.043 1.00 0.00 C
38
+ ATOM 36 CB THR A 9 -4.478 0.473 1.119 1.00 0.00 C
39
+ ATOM 37 C THR A 9 -2.522 -1.104 1.158 1.00 0.00 C
40
+ ATOM 38 O THR A 9 -1.649 -0.471 0.639 1.00 0.00 O
41
+ ATOM 39 N TRP A 10 -2.750 -2.412 0.954 1.00 0.00 N
42
+ ATOM 40 CA TRP A 10 -2.197 -3.223 -0.185 1.00 0.00 C
43
+ ATOM 41 CB TRP A 10 -2.529 -4.722 -0.079 1.00 0.00 C
44
+ ATOM 42 C TRP A 10 -2.848 -2.737 -1.505 1.00 0.00 C
45
+ ATOM 43 O TRP A 10 -4.085 -2.603 -1.513 1.00 0.00 O
46
+ ATOM 44 N TYR A 11 -2.000 -2.498 -2.501 1.00 0.00 N
47
+ ATOM 45 CA TYR A 11 -2.343 -2.017 -3.821 1.00 0.00 C
48
+ ATOM 46 CB TYR A 11 -2.189 -0.509 -3.887 1.00 0.00 C
49
+ ATOM 47 C TYR A 11 -1.536 -2.690 -4.961 1.00 0.00 C
50
+ ATOM 48 O TYR A 11 -0.472 -3.293 -4.694 1.00 0.00 O
51
+ TER 49 TYR A 11
52
+ ENDMDL
53
+ END