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Datasets:
RosettaCommons
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SAbDab_raw

Modalities:
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10K - 100K
Tags:
biology
chemistry
License:
Dataset card Data Studio Files
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  1. sabdab_dataset/1t2j/annotation/1t2j_A_VH.ann +116 -0
  2. sabdab_dataset/1t2j/imgt/1t2j_A_H.ann +3 -0
  3. sabdab_dataset/1t2j/sequence/1t2j_A_VH.fa +6 -0
  4. sabdab_dataset/1t2j/sequence/1t2j_raw.pdb +2 -0
  5. sabdab_dataset/1t2j/structure/1t2j.pdb +0 -0
  6. sabdab_dataset/1t2j/structure/chothia/1t2j.pdb +1015 -0
  7. sabdab_dataset/1u0q/annotation/1u0q_A_VH.ann +125 -0
  8. sabdab_dataset/1u0q/annotation/1u0q_B_VH.ann +125 -0
  9. sabdab_dataset/1u0q/imgt/1u0q_A_H.ann +3 -0
  10. sabdab_dataset/1u0q/imgt/1u0q_B_H.ann +3 -0
  11. sabdab_dataset/1u0q/sequence/1u0q_A_VH.fa +6 -0
  12. sabdab_dataset/1u0q/sequence/1u0q_B_VH.fa +6 -0
  13. sabdab_dataset/1u0q/sequence/1u0q_raw.pdb +4 -0
  14. sabdab_dataset/1u0q/structure/1u0q.pdb +0 -0
  15. sabdab_dataset/1u0q/structure/chothia/1u0q.pdb +0 -0
  16. sabdab_dataset/2ywz/sequence/2ywz_A_VH.fa +6 -0
  17. sabdab_dataset/2ywz/sequence/2ywz_raw.pdb +2 -0
  18. sabdab_dataset/2ywz/structure/2ywz.pdb +0 -0
  19. sabdab_dataset/2ywz/structure/chothia/2ywz.pdb +973 -0
  20. sabdab_dataset/4al8/abangle/4al8.abangle +2 -0
  21. sabdab_dataset/4al8/annotation/4al8_H_VH.ann +117 -0
  22. sabdab_dataset/4al8/annotation/4al8_L_VL.ann +109 -0
  23. sabdab_dataset/4al8/imgt/4al8_H_H.ann +4 -0
  24. sabdab_dataset/4al8/imgt/4al8_L_L.ann +4 -0
  25. sabdab_dataset/4al8/sequence/4al8_H_VH.fa +6 -0
  26. sabdab_dataset/4al8/sequence/4al8_L_VL.fa +6 -0
  27. sabdab_dataset/4al8/sequence/4al8_raw.pdb +6 -0
  28. sabdab_dataset/4al8/structure/4al8.pdb +0 -0
  29. sabdab_dataset/4al8/structure/chothia/4al8.pdb +0 -0
  30. sabdab_dataset/4kdt/annotation/4kdt_A_VH.ann +128 -0
  31. sabdab_dataset/4kdt/annotation/4kdt_B_VH.ann +128 -0
  32. sabdab_dataset/4kdt/imgt/4kdt_A_H.ann +3 -0
  33. sabdab_dataset/4kdt/imgt/4kdt_B_H.ann +3 -0
  34. sabdab_dataset/4kdt/sequence/4kdt_A_VH.fa +6 -0
  35. sabdab_dataset/4kdt/sequence/4kdt_B_VH.fa +6 -0
  36. sabdab_dataset/4kdt/sequence/4kdt_raw.pdb +8 -0
  37. sabdab_dataset/4kdt/structure/4kdt.pdb +0 -0
  38. sabdab_dataset/4kdt/structure/chothia/4kdt.pdb +0 -0
  39. sabdab_dataset/4nug/abangle/4nug.abangle +2 -0
  40. sabdab_dataset/4nug/annotation/4nug_H_VH.ann +135 -0
  41. sabdab_dataset/4nug/annotation/4nug_L_VL.ann +115 -0
  42. sabdab_dataset/4nug/imgt/4nug_H_H.ann +4 -0
  43. sabdab_dataset/4nug/imgt/4nug_L_L.ann +4 -0
  44. sabdab_dataset/4nug/sequence/4nug_H_VH.fa +6 -0
  45. sabdab_dataset/4nug/sequence/4nug_L_VL.fa +6 -0
  46. sabdab_dataset/4nug/sequence/4nug_raw.pdb +4 -0
  47. sabdab_dataset/4nug/structure/4nug.pdb +0 -0
  48. sabdab_dataset/4nug/structure/chothia/4nug.pdb +0 -0
  49. sabdab_dataset/6b14/abangle/6b14.abangle +2 -0
  50. sabdab_dataset/6b14/annotation/6b14_H_VH.ann +122 -0
sabdab_dataset/1t2j/annotation/1t2j_A_VH.ann ADDED
@@ -0,0 +1,116 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ H1 Q
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+ H2 V
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+ H3 Q
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+ H4 L
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+ H6 E
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+ H7 S
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+ H10 G
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+ H12 V
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+ H13 Q
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+ H14 P
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+ H15 G
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+ H16 G
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+ H17 S
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+ H18 L
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+ H19 R
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+ H20 L
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+ H21 S
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+ H22 C
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+ H23 A
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+ H25 S
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+ H26 G
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+ H27 F
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+ H28 T
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+ H31 N
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+ H105 Q
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+ H109 V
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+ H110 T
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+ H111 V
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+ H112 S
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+ H113 S
sabdab_dataset/1t2j/imgt/1t2j_A_H.ann ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
2
+ J Homo_sapiens IGHJ6*01 IG IGHJ IGHJ6 IGHJ6 NA True
3
+ V Homo_sapiens IGHV3-23*01 IG IGHV IGHV3 IGHV3-23 NA True
sabdab_dataset/1t2j/sequence/1t2j_A_VH.fa ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ >1t2j_A|seqres|full
2
+ QVQLQESGGGLVQPGGSLRLSCAASGFTFSNSAMSWVRQAPGKGLEWVSSISGSGGNTYSADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARDWYGMDVWGQGTTVTVSS
3
+ >1t2j_A|seqres|region: H
4
+ QVQLQESGGGLVQPGGSLRLSCAASGFTFSNSAMSWVRQAPGKGLEWVSSISGSGGNTYSADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARDWYGMDVWGQGTTVTVSS
5
+ >1t2j_A|structure|full
6
+ QVQLQESGGGLVQPGGSLRLSCAASGFTFSNSAMSWVRQAPGKGLEWVSSISGSGGNTYSADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARDWYGMDVWGQGTTVTVSS
sabdab_dataset/1t2j/sequence/1t2j_raw.pdb ADDED
@@ -0,0 +1,2 @@
 
 
 
1
+ >1t2j_A|type: H
2
+ QVQLQESGGGLVQPGGSLRLSCAASGFTFSNSAMSWVRQAPGKGLEWVSSISGSGGNTYSADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARDWYGMDVWGQGTTVTVSS
sabdab_dataset/1t2j/structure/1t2j.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_dataset/1t2j/structure/chothia/1t2j.pdb ADDED
@@ -0,0 +1,1015 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 5 CHOTHIA RENUMBERED STRUCTURE 1T2J GENERATED BY SABDAB
2
+ REMARK 5 ANTIBODY CHAINS ARE RENUMBERED IN THE VARIABLE REGIONS ONLY
3
+ REMARK 5 NON ANTIBODY CHAINS ARE LEFT WITH RESIDUE IDS AS IN PDB
4
+ REMARK 5 SINGLE HCHAIN=A AGCHAIN=NONE AGTYPE=NONE
5
+ ATOM 1 N GLN A 1 0.772 -3.977 15.592 1.00 39.13 N
6
+ ATOM 2 CA GLN A 1 0.963 -2.504 15.531 1.00 35.30 C
7
+ ATOM 3 C GLN A 1 2.468 -2.181 15.575 1.00 30.51 C
8
+ ATOM 4 O GLN A 1 2.865 -1.129 16.069 1.00 28.36 O
9
+ ATOM 5 CB GLN A 1 0.182 -1.801 16.654 1.00 36.74 C
10
+ ATOM 6 CG GLN A 1 0.188 -0.255 16.610 1.00 43.92 C
11
+ ATOM 7 CD GLN A 1 -0.412 0.323 15.333 1.00 45.85 C
12
+ ATOM 8 OE1 GLN A 1 -1.346 1.133 15.397 1.00 50.90 O
13
+ ATOM 9 NE2 GLN A 1 0.123 -0.082 14.169 1.00 48.93 N
14
+ ATOM 10 N VAL A 2 3.276 -3.114 15.064 1.00 27.88 N
15
+ ATOM 11 CA VAL A 2 4.723 -2.901 14.890 1.00 24.34 C
16
+ ATOM 12 C VAL A 2 4.954 -1.685 13.986 1.00 22.96 C
17
+ ATOM 13 O VAL A 2 4.317 -1.546 12.924 1.00 24.10 O
18
+ ATOM 14 CB VAL A 2 5.440 -4.147 14.305 1.00 25.41 C
19
+ ATOM 15 CG1 VAL A 2 6.883 -3.845 13.948 1.00 23.04 C
20
+ ATOM 16 CG2 VAL A 2 5.374 -5.342 15.298 1.00 25.53 C
21
+ ATOM 17 N GLN A 3 5.830 -0.777 14.428 1.00 21.04 N
22
+ ATOM 18 CA GLN A 3 6.232 0.357 13.607 1.00 21.08 C
23
+ ATOM 19 C GLN A 3 7.738 0.483 13.710 1.00 17.39 C
24
+ ATOM 20 O GLN A 3 8.318 0.371 14.786 1.00 20.07 O
25
+ ATOM 21 CB GLN A 3 5.554 1.664 14.037 1.00 25.68 C
26
+ ATOM 22 CG GLN A 3 4.050 1.654 13.794 1.00 30.31 C
27
+ ATOM 23 CD GLN A 3 3.317 2.951 14.167 1.00 35.68 C
28
+ ATOM 24 OE1 GLN A 3 2.085 2.961 14.196 1.00 39.15 O
29
+ ATOM 25 NE2 GLN A 3 4.051 4.026 14.428 1.00 37.90 N
30
+ ATOM 26 N LEU A 4 8.367 0.824 12.584 1.00 18.14 N
31
+ ATOM 27 CA LEU A 4 9.752 1.121 12.483 1.00 17.77 C
32
+ ATOM 28 C LEU A 4 9.859 2.280 11.526 1.00 17.01 C
33
+ ATOM 29 O LEU A 4 9.272 2.237 10.450 1.00 20.08 O
34
+ ATOM 30 CB LEU A 4 10.584 -0.029 11.884 1.00 18.96 C
35
+ ATOM 31 CG LEU A 4 10.636 -1.339 12.656 1.00 16.90 C
36
+ ATOM 32 CD1 LEU A 4 11.385 -2.396 11.868 1.00 19.61 C
37
+ ATOM 33 CD2 LEU A 4 11.262 -1.139 14.024 1.00 19.22 C
38
+ ATOM 34 N GLN A 5 10.613 3.326 11.922 1.00 17.53 N
39
+ ATOM 35 CA GLN A 5 10.905 4.336 10.923 1.00 20.73 C
40
+ ATOM 36 C GLN A 5 12.316 4.832 11.019 1.00 16.16 C
41
+ ATOM 37 O GLN A 5 12.779 5.200 12.082 1.00 18.33 O
42
+ ATOM 38 CB GLN A 5 9.937 5.516 10.892 1.00 24.12 C
43
+ ATOM 39 CG GLN A 5 10.195 6.560 9.723 1.00 25.29 C
44
+ ATOM 40 CD GLN A 5 10.389 5.963 8.275 1.00 30.05 C
45
+ ATOM 41 OE1 GLN A 5 11.353 6.342 7.519 1.00 30.46 O
46
+ ATOM 42 NE2 GLN A 5 9.489 5.059 7.887 1.00 21.69 N
47
+ ATOM 43 N GLU A 6 12.949 4.857 9.865 1.00 16.24 N
48
+ ATOM 44 CA GLU A 6 14.335 5.270 9.731 1.00 16.17 C
49
+ ATOM 45 C GLU A 6 14.453 6.756 9.534 1.00 15.63 C
50
+ ATOM 46 O GLU A 6 13.590 7.390 8.912 1.00 18.82 O
51
+ ATOM 47 CB GLU A 6 14.930 4.638 8.487 1.00 16.16 C
52
+ ATOM 48 CG GLU A 6 14.911 3.098 8.504 1.00 16.63 C
53
+ ATOM 49 CD GLU A 6 13.612 2.497 8.011 1.00 17.13 C
54
+ ATOM 50 OE1 GLU A 6 13.553 1.255 7.881 1.00 17.05 O
55
+ ATOM 51 OE2 GLU A 6 12.613 3.175 7.755 1.00 17.72 O
56
+ ATOM 52 N SER A 7 15.543 7.291 10.063 1.00 15.12 N
57
+ ATOM 53 CA SER A 7 15.882 8.687 9.802 1.00 15.52 C
58
+ ATOM 54 C SER A 7 17.378 8.821 9.784 1.00 15.58 C
59
+ ATOM 55 O SER A 7 18.129 7.877 10.111 1.00 16.04 O
60
+ ATOM 56 CB SER A 7 15.330 9.575 10.921 1.00 10.68 C
61
+ ATOM 57 OG ASER A 7 15.795 9.215 12.156 0.50 18.00 O
62
+ ATOM 58 N GLY A 8 17.840 10.020 9.409 1.00 16.65 N
63
+ ATOM 59 CA GLY A 8 19.243 10.365 9.560 1.00 16.29 C
64
+ ATOM 60 C GLY A 8 20.035 10.387 8.273 1.00 16.39 C
65
+ ATOM 61 O GLY A 8 21.199 10.779 8.304 1.00 20.32 O
66
+ ATOM 62 N GLY A 9 19.434 9.952 7.170 1.00 17.02 N
67
+ ATOM 63 CA GLY A 9 20.144 9.951 5.897 1.00 19.68 C
68
+ ATOM 64 C GLY A 9 20.326 11.367 5.385 1.00 19.66 C
69
+ ATOM 65 O GLY A 9 19.939 12.349 6.030 1.00 21.22 O
70
+ ATOM 66 N GLY A 10 20.947 11.469 4.228 1.00 16.88 N
71
+ ATOM 67 CA GLY A 10 21.138 12.762 3.598 1.00 15.93 C
72
+ ATOM 68 C GLY A 10 22.241 12.691 2.602 1.00 16.11 C
73
+ ATOM 69 O GLY A 10 22.751 11.613 2.265 1.00 17.52 O
74
+ ATOM 70 N LEU A 11 22.583 13.855 2.061 1.00 17.85 N
75
+ ATOM 71 CA LEU A 11 23.662 13.989 1.113 1.00 16.45 C
76
+ ATOM 72 C LEU A 11 24.957 14.198 1.864 1.00 18.44 C
77
+ ATOM 73 O LEU A 11 25.053 15.064 2.750 1.00 22.77 O
78
+ ATOM 74 CB LEU A 11 23.359 15.196 0.202 1.00 18.55 C
79
+ ATOM 75 CG LEU A 11 24.278 15.404 -0.987 1.00 19.47 C
80
+ ATOM 76 CD1 LEU A 11 24.082 14.309 -1.995 1.00 21.04 C
81
+ ATOM 77 CD2 LEU A 11 23.898 16.719 -1.630 1.00 22.46 C
82
+ ATOM 78 N VAL A 12 25.969 13.381 1.567 1.00 16.69 N
83
+ ATOM 79 CA VAL A 12 27.196 13.414 2.343 1.00 19.77 C
84
+ ATOM 80 C VAL A 12 28.386 13.286 1.408 1.00 18.79 C
85
+ ATOM 81 O VAL A 12 28.280 12.681 0.364 1.00 20.26 O
86
+ ATOM 82 CB VAL A 12 27.141 12.299 3.430 1.00 15.79 C
87
+ ATOM 83 CG1AVAL A 12 27.015 10.911 2.798 0.50 17.24 C
88
+ ATOM 84 CG2AVAL A 12 28.320 12.384 4.374 0.50 23.05 C
89
+ ATOM 85 N GLN A 13 29.524 13.846 1.803 1.00 19.39 N
90
+ ATOM 86 CA GLN A 13 30.743 13.739 0.997 1.00 19.74 C
91
+ ATOM 87 C GLN A 13 31.450 12.413 1.197 1.00 17.97 C
92
+ ATOM 88 O GLN A 13 31.364 11.823 2.269 1.00 18.09 O
93
+ ATOM 89 CB GLN A 13 31.703 14.872 1.371 1.00 23.68 C
94
+ ATOM 90 CG GLN A 13 31.230 16.244 0.924 1.00 33.35 C
95
+ ATOM 91 CD GLN A 13 31.406 16.445 -0.567 1.00 35.22 C
96
+ ATOM 92 OE1 GLN A 13 32.490 16.183 -1.112 1.00 43.35 O
97
+ ATOM 93 NE2 GLN A 13 30.357 16.924 -1.234 1.00 41.75 N
98
+ ATOM 94 N PRO A 14 32.161 11.942 0.177 1.00 18.15 N
99
+ ATOM 95 CA PRO A 14 32.984 10.745 0.379 1.00 16.79 C
100
+ ATOM 96 C PRO A 14 33.895 10.968 1.571 1.00 16.95 C
101
+ ATOM 97 O PRO A 14 34.461 12.059 1.731 1.00 17.98 O
102
+ ATOM 98 CB PRO A 14 33.801 10.659 -0.893 1.00 16.99 C
103
+ ATOM 99 CG PRO A 14 32.966 11.283 -1.893 1.00 20.01 C
104
+ ATOM 100 CD PRO A 14 32.272 12.468 -1.191 1.00 19.46 C
105
+ ATOM 101 N GLY A 15 34.083 9.915 2.356 1.00 17.74 N
106
+ ATOM 102 CA GLY A 15 34.918 9.937 3.532 1.00 18.01 C
107
+ ATOM 103 C GLY A 15 34.220 10.483 4.745 1.00 18.19 C
108
+ ATOM 104 O GLY A 15 34.782 10.464 5.852 1.00 22.25 O
109
+ ATOM 105 N GLY A 16 33.003 10.998 4.542 1.00 17.58 N
110
+ ATOM 106 CA GLY A 16 32.160 11.555 5.591 1.00 19.04 C
111
+ ATOM 107 C GLY A 16 31.521 10.508 6.466 1.00 18.50 C
112
+ ATOM 108 O GLY A 16 31.695 9.297 6.255 1.00 19.39 O
113
+ ATOM 109 N SER A 17 30.806 10.986 7.480 1.00 19.76 N
114
+ ATOM 110 CA SER A 17 30.079 10.124 8.415 1.00 19.65 C
115
+ ATOM 111 C SER A 17 28.636 10.603 8.538 1.00 18.96 C
116
+ ATOM 112 O SER A 17 28.336 11.803 8.407 1.00 21.87 O
117
+ ATOM 113 CB SER A 17 30.723 10.164 9.809 1.00 16.83 C
118
+ ATOM 114 OG ASER A 17 32.004 9.559 9.873 0.50 19.72 O
119
+ ATOM 115 N LEU A 18 27.734 9.678 8.847 1.00 19.55 N
120
+ ATOM 116 CA LEU A 18 26.337 9.994 9.130 1.00 18.96 C
121
+ ATOM 117 C LEU A 18 25.913 8.997 10.164 1.00 18.71 C
122
+ ATOM 118 O LEU A 18 26.420 7.890 10.165 1.00 18.32 O
123
+ ATOM 119 CB LEU A 18 25.458 9.729 7.917 1.00 24.08 C
124
+ ATOM 120 CG LEU A 18 25.374 10.642 6.724 1.00 29.24 C
125
+ ATOM 121 CD1 LEU A 18 24.368 10.035 5.739 1.00 31.10 C
126
+ ATOM 122 CD2 LEU A 18 24.919 12.030 7.175 1.00 31.07 C
127
+ ATOM 123 N ARG A 19 24.899 9.334 10.945 1.00 15.63 N
128
+ ATOM 124 CA ARG A 19 24.358 8.347 11.854 1.00 14.18 C
129
+ ATOM 125 C ARG A 19 22.877 8.181 11.527 1.00 15.83 C
130
+ ATOM 126 O ARG A 19 22.130 9.142 11.506 1.00 18.11 O
131
+ ATOM 127 CB ARG A 19 24.549 8.718 13.342 1.00 17.69 C
132
+ ATOM 128 CG ARG A 19 24.055 7.615 14.277 1.00 20.12 C
133
+ ATOM 129 CD ARG A 19 23.995 8.058 15.743 1.00 27.45 C
134
+ ATOM 130 NE ARG A 19 22.898 9.025 15.989 1.00 34.57 N
135
+ ATOM 131 CZ ARG A 19 22.516 9.456 17.209 1.00 37.07 C
136
+ ATOM 132 NH1 ARG A 19 23.159 9.011 18.284 0.00 34.87 N
137
+ ATOM 133 NH2 ARG A 19 21.522 10.330 17.333 1.00 40.27 N
138
+ ATOM 134 N LEU A 20 22.471 6.952 11.221 1.00 15.15 N
139
+ ATOM 135 CA LEU A 20 21.062 6.678 10.983 1.00 14.75 C
140
+ ATOM 136 C LEU A 20 20.409 6.222 12.290 1.00 15.46 C
141
+ ATOM 137 O LEU A 20 21.059 5.645 13.174 1.00 13.60 O
142
+ ATOM 138 CB LEU A 20 20.901 5.539 9.999 1.00 14.35 C
143
+ ATOM 139 CG LEU A 20 21.639 5.694 8.674 1.00 13.76 C
144
+ ATOM 140 CD1 LEU A 20 21.237 4.617 7.674 1.00 15.92 C
145
+ ATOM 141 CD2 LEU A 20 21.417 7.106 8.063 1.00 16.07 C
146
+ ATOM 142 N SER A 21 19.117 6.514 12.393 1.00 15.70 N
147
+ ATOM 143 CA SER A 21 18.307 6.090 13.517 1.00 17.45 C
148
+ ATOM 144 C SER A 21 17.126 5.292 13.020 1.00 15.91 C
149
+ ATOM 145 O SER A 21 16.679 5.455 11.914 1.00 16.27 O
150
+ ATOM 146 CB SER A 21 17.727 7.325 14.216 1.00 22.77 C
151
+ ATOM 147 OG ASER A 21 18.741 8.269 14.495 0.50 36.91 O
152
+ ATOM 148 N CYS A 22 16.606 4.439 13.892 1.00 15.56 N
153
+ ATOM 149 CA CYS A 22 15.391 3.720 13.585 1.00 16.44 C
154
+ ATOM 150 C CYS A 22 14.592 3.677 14.860 1.00 16.21 C
155
+ ATOM 151 O CYS A 22 15.050 3.122 15.836 1.00 16.96 O
156
+ ATOM 152 CB CYS A 22 15.832 2.344 13.133 1.00 16.76 C
157
+ ATOM 153 SG CYS A 22 14.537 1.116 13.144 1.00 22.47 S
158
+ ATOM 154 N ALA A 23 13.431 4.320 14.846 1.00 17.86 N
159
+ ATOM 155 CA ALA A 23 12.571 4.421 16.029 1.00 18.36 C
160
+ ATOM 156 C ALA A 23 11.552 3.271 15.937 1.00 16.47 C
161
+ ATOM 157 O ALA A 23 10.883 3.095 14.906 1.00 19.03 O
162
+ ATOM 158 CB ALA A 23 11.856 5.779 16.061 1.00 20.60 C
163
+ ATOM 159 N ALA A 24 11.511 2.503 17.015 1.00 17.50 N
164
+ ATOM 160 CA ALA A 24 10.656 1.355 17.088 1.00 18.01 C
165
+ ATOM 161 C ALA A 24 9.522 1.480 18.067 1.00 20.20 C
166
+ ATOM 162 O ALA A 24 9.680 2.032 19.146 1.00 22.12 O
167
+ ATOM 163 CB ALA A 24 11.457 0.113 17.449 1.00 19.26 C
168
+ ATOM 164 N SER A 25 8.348 1.035 17.681 1.00 20.77 N
169
+ ATOM 165 CA SER A 25 7.270 0.910 18.646 1.00 22.70 C
170
+ ATOM 166 C SER A 25 6.365 -0.248 18.291 1.00 20.67 C
171
+ ATOM 167 O SER A 25 6.429 -0.843 17.200 1.00 19.61 O
172
+ ATOM 168 CB SER A 25 6.453 2.203 18.739 1.00 24.75 C
173
+ ATOM 169 OG SER A 25 5.847 2.456 17.499 1.00 27.08 O
174
+ ATOM 170 N GLY A 26 5.482 -0.557 19.225 1.00 22.83 N
175
+ ATOM 171 CA GLY A 26 4.460 -1.556 18.974 1.00 21.95 C
176
+ ATOM 172 C GLY A 26 4.932 -2.967 19.223 1.00 21.55 C
177
+ ATOM 173 O GLY A 26 4.204 -3.918 18.900 1.00 25.00 O
178
+ ATOM 174 N PHE A 27 6.150 -3.117 19.753 1.00 20.30 N
179
+ ATOM 175 CA PHE A 27 6.684 -4.426 20.163 1.00 18.22 C
180
+ ATOM 176 C PHE A 27 7.748 -4.140 21.200 1.00 21.79 C
181
+ ATOM 177 O PHE A 27 8.159 -2.982 21.386 1.00 22.37 O
182
+ ATOM 178 CB PHE A 27 7.257 -5.254 18.979 1.00 21.61 C
183
+ ATOM 179 CG PHE A 27 8.479 -4.653 18.325 1.00 18.77 C
184
+ ATOM 180 CD1 PHE A 27 9.732 -5.206 18.549 1.00 19.53 C
185
+ ATOM 181 CD2 PHE A 27 8.364 -3.552 17.485 1.00 18.55 C
186
+ ATOM 182 CE1 PHE A 27 10.850 -4.689 17.942 1.00 19.30 C
187
+ ATOM 183 CE2 PHE A 27 9.510 -2.987 16.876 1.00 18.90 C
188
+ ATOM 184 CZ PHE A 27 10.755 -3.569 17.110 1.00 19.60 C
189
+ ATOM 185 N THR A 28 8.221 -5.179 21.876 1.00 20.08 N
190
+ ATOM 186 CA THR A 28 9.231 -4.985 22.896 1.00 19.43 C
191
+ ATOM 187 C THR A 28 10.587 -4.970 22.246 1.00 20.20 C
192
+ ATOM 188 O THR A 28 11.190 -6.001 21.993 1.00 20.34 O
193
+ ATOM 189 CB THR A 28 9.164 -6.078 23.955 1.00 18.57 C
194
+ ATOM 190 OG1 THR A 28 7.833 -6.075 24.510 1.00 21.93 O
195
+ ATOM 191 CG2 THR A 28 10.097 -5.793 25.098 1.00 21.36 C
196
+ ATOM 192 N PHE A 29 11.034 -3.762 21.963 1.00 20.45 N
197
+ ATOM 193 CA PHE A 29 12.282 -3.575 21.238 1.00 20.03 C
198
+ ATOM 194 C PHE A 29 13.440 -4.294 21.877 1.00 21.27 C
199
+ ATOM 195 O PHE A 29 14.212 -4.933 21.178 1.00 20.46 O
200
+ ATOM 196 CB PHE A 29 12.533 -2.077 21.186 1.00 19.22 C
201
+ ATOM 197 CG PHE A 29 13.808 -1.683 20.475 1.00 17.97 C
202
+ ATOM 198 CD1 PHE A 29 13.898 -1.725 19.091 1.00 17.84 C
203
+ ATOM 199 CD2 PHE A 29 14.895 -1.233 21.205 1.00 18.58 C
204
+ ATOM 200 CE1 PHE A 29 15.048 -1.348 18.453 1.00 19.01 C
205
+ ATOM 201 CE2 PHE A 29 16.062 -0.840 20.570 1.00 18.63 C
206
+ ATOM 202 CZ PHE A 29 16.123 -0.898 19.175 1.00 16.56 C
207
+ ATOM 203 N SER A 30 13.579 -4.124 23.192 1.00 21.35 N
208
+ ATOM 204 CA SER A 30 14.706 -4.680 23.938 1.00 23.32 C
209
+ ATOM 205 C SER A 30 14.816 -6.215 23.878 1.00 23.44 C
210
+ ATOM 206 O SER A 30 15.871 -6.775 24.174 1.00 26.04 O
211
+ ATOM 207 CB SER A 30 14.653 -4.236 25.402 1.00 24.89 C
212
+ ATOM 208 OG SER A 30 13.367 -4.452 25.969 1.00 28.33 O
213
+ ATOM 209 N ASN A 31 13.711 -6.891 23.443 1.00 22.57 N
214
+ ATOM 210 CA ASN A 31 13.698 -8.357 23.375 1.00 22.45 C
215
+ ATOM 211 C ASN A 31 13.966 -8.859 21.962 1.00 25.15 C
216
+ ATOM 212 O ASN A 31 14.030 -10.062 21.724 1.00 26.16 O
217
+ ATOM 213 CB ASN A 31 12.345 -8.898 23.842 1.00 22.98 C
218
+ ATOM 214 CG ASN A 31 12.239 -8.900 25.350 1.00 25.53 C
219
+ ATOM 215 OD1 ASN A 31 13.198 -8.546 26.046 1.00 28.02 O
220
+ ATOM 216 ND2 ASN A 31 11.081 -9.283 25.865 1.00 28.19 N
221
+ ATOM 217 N SER A 32 14.139 -7.922 21.034 1.00 22.14 N
222
+ ATOM 218 CA SER A 32 14.306 -8.251 19.640 1.00 20.63 C
223
+ ATOM 219 C SER A 32 15.701 -8.000 19.052 1.00 18.44 C
224
+ ATOM 220 O SER A 32 16.275 -6.943 19.295 1.00 17.98 O
225
+ ATOM 221 CB SER A 32 13.249 -7.479 18.831 1.00 21.39 C
226
+ ATOM 222 OG SER A 32 13.248 -7.872 17.467 1.00 26.14 O
227
+ ATOM 223 N ALA A 33 16.227 -8.944 18.299 1.00 16.61 N
228
+ ATOM 224 CA ALA A 33 17.452 -8.686 17.603 1.00 15.94 C
229
+ ATOM 225 C ALA A 33 17.019 -7.725 16.509 1.00 14.43 C
230
+ ATOM 226 O ALA A 33 15.876 -7.740 16.070 1.00 16.00 O
231
+ ATOM 227 CB ALA A 33 18.063 -9.944 16.994 1.00 16.52 C
232
+ ATOM 228 N MET A 34 17.946 -6.903 16.047 1.00 14.85 N
233
+ ATOM 229 CA MET A 34 17.614 -5.922 15.028 1.00 13.44 C
234
+ ATOM 230 C MET A 34 18.693 -5.898 13.977 1.00 13.40 C
235
+ ATOM 231 O MET A 34 19.820 -6.372 14.202 1.00 14.16 O
236
+ ATOM 232 CB MET A 34 17.515 -4.534 15.645 1.00 14.24 C
237
+ ATOM 233 CG MET A 34 16.439 -4.328 16.692 1.00 15.47 C
238
+ ATOM 234 SD MET A 34 14.749 -4.358 16.074 1.00 20.35 S
239
+ ATOM 235 CE MET A 34 14.784 -2.904 14.907 1.00 18.89 C
240
+ ATOM 236 N SER A 35 18.360 -5.354 12.800 1.00 11.75 N
241
+ ATOM 237 CA SER A 35 19.327 -5.335 11.742 1.00 12.14 C
242
+ ATOM 238 C SER A 35 19.101 -4.127 10.818 1.00 12.26 C
243
+ ATOM 239 O SER A 35 18.055 -3.461 10.885 1.00 13.20 O
244
+ ATOM 240 CB SER A 35 19.310 -6.699 10.958 1.00 13.65 C
245
+ ATOM 241 OG SER A 35 17.970 -7.024 10.603 1.00 14.57 O
246
+ ATOM 242 N TRP A 36 20.101 -3.903 9.980 1.00 13.45 N
247
+ ATOM 243 CA TRP A 36 19.986 -2.938 8.913 1.00 12.58 C
248
+ ATOM 244 C TRP A 36 20.228 -3.645 7.586 1.00 12.18 C
249
+ ATOM 245 O TRP A 36 21.083 -4.546 7.517 1.00 14.00 O
250
+ ATOM 246 CB TRP A 36 21.059 -1.839 9.039 1.00 13.72 C
251
+ ATOM 247 CG TRP A 36 20.827 -0.887 10.173 1.00 12.80 C
252
+ ATOM 248 CD1 TRP A 36 21.405 -0.915 11.400 1.00 14.31 C
253
+ ATOM 249 CD2 TRP A 36 20.029 0.304 10.133 1.00 13.25 C
254
+ ATOM 250 NE1 TRP A 36 20.964 0.144 12.170 1.00 14.75 N
255
+ ATOM 251 CE2 TRP A 36 20.109 0.894 11.423 1.00 11.83 C
256
+ ATOM 252 CE3 TRP A 36 19.228 0.900 9.157 1.00 12.96 C
257
+ ATOM 253 CZ2 TRP A 36 19.451 2.099 11.746 1.00 14.45 C
258
+ ATOM 254 CZ3 TRP A 36 18.532 2.100 9.501 1.00 13.67 C
259
+ ATOM 255 CH2 TRP A 36 18.664 2.655 10.787 1.00 14.49 C
260
+ ATOM 256 N VAL A 37 19.527 -3.182 6.528 1.00 13.02 N
261
+ ATOM 257 CA VAL A 37 19.687 -3.679 5.186 1.00 13.80 C
262
+ ATOM 258 C VAL A 37 19.661 -2.459 4.283 1.00 14.88 C
263
+ ATOM 259 O VAL A 37 19.128 -1.425 4.686 1.00 15.80 O
264
+ ATOM 260 CB VAL A 37 18.539 -4.687 4.855 1.00 16.74 C
265
+ ATOM 261 CG1AVAL A 37 17.162 -4.012 4.834 0.50 18.08 C
266
+ ATOM 262 CG2AVAL A 37 18.820 -5.472 3.605 0.50 26.75 C
267
+ ATOM 263 N ARG A 38 20.229 -2.558 3.105 1.00 13.47 N
268
+ ATOM 264 CA ARG A 38 20.201 -1.405 2.205 1.00 13.77 C
269
+ ATOM 265 C ARG A 38 19.918 -1.818 0.790 1.00 18.65 C
270
+ ATOM 266 O ARG A 38 20.205 -2.951 0.393 1.00 14.44 O
271
+ ATOM 267 CB ARG A 38 21.520 -0.630 2.271 1.00 16.16 C
272
+ ATOM 268 CG ARG A 38 22.728 -1.442 1.842 1.00 13.32 C
273
+ ATOM 269 CD ARG A 38 24.008 -0.662 1.991 1.00 14.37 C
274
+ ATOM 270 NE ARG A 38 25.148 -1.393 1.472 1.00 14.54 N
275
+ ATOM 271 CZ ARG A 38 26.372 -0.904 1.527 1.00 14.04 C
276
+ ATOM 272 NH1 ARG A 38 26.587 0.289 2.070 1.00 14.09 N
277
+ ATOM 273 NH2 ARG A 38 27.404 -1.592 1.032 1.00 15.92 N
278
+ ATOM 274 N GLN A 39 19.368 -0.907 0.010 1.00 16.31 N
279
+ ATOM 275 CA GLN A 39 19.087 -1.208 -1.386 1.00 18.49 C
280
+ ATOM 276 C GLN A 39 19.378 -0.032 -2.240 1.00 21.29 C
281
+ ATOM 277 O GLN A 39 18.858 1.061 -2.007 1.00 23.23 O
282
+ ATOM 278 CB GLN A 39 17.611 -1.642 -1.569 1.00 21.01 C
283
+ ATOM 279 CG GLN A 39 17.082 -1.860 -2.986 1.00 26.86 C
284
+ ATOM 280 CD GLN A 39 15.691 -2.454 -2.944 1.00 25.72 C
285
+ ATOM 281 OE1 GLN A 39 15.063 -2.509 -1.898 1.00 25.40 O
286
+ ATOM 282 NE2 GLN A 39 15.005 -2.969 -3.963 0.00 39.26 N
287
+ ATOM 283 N ALA A 40 20.224 -0.213 -3.242 1.00 21.73 N
288
+ ATOM 284 CA ALA A 40 20.452 0.849 -4.208 1.00 27.67 C
289
+ ATOM 285 C ALA A 40 19.522 0.516 -5.359 1.00 31.51 C
290
+ ATOM 286 O ALA A 40 19.226 -0.657 -5.635 1.00 27.40 O
291
+ ATOM 287 CB ALA A 40 21.913 0.924 -4.671 1.00 27.68 C
292
+ ATOM 288 N PRO A 41 19.014 1.574 -6.051 1.00 30.71 N
293
+ ATOM 289 CA PRO A 41 18.063 1.418 -7.149 1.00 32.45 C
294
+ ATOM 290 C PRO A 41 18.650 0.487 -8.178 1.00 33.86 C
295
+ ATOM 291 O PRO A 41 19.726 0.721 -8.703 1.00 34.36 O
296
+ ATOM 292 N GLY A 42 17.845 -0.574 -8.528 1.00 37.61 N
297
+ ATOM 293 CA GLY A 42 18.253 -1.623 -9.449 1.00 37.48 C
298
+ ATOM 294 C GLY A 42 19.304 -2.611 -8.980 1.00 38.38 C
299
+ ATOM 295 O GLY A 42 19.521 -3.625 -9.661 1.00 38.26 O
300
+ ATOM 296 N LYS A 43 20.056 -2.317 -7.898 1.00 35.91 N
301
+ ATOM 297 CA LYS A 43 20.913 -3.284 -7.264 1.00 32.74 C
302
+ ATOM 298 C LYS A 43 20.062 -4.037 -6.310 1.00 29.50 C
303
+ ATOM 299 O LYS A 43 18.943 -3.611 -6.052 1.00 32.83 O
304
+ ATOM 300 CB LYS A 43 22.080 -2.618 -6.533 1.00 34.20 C
305
+ ATOM 301 CG LYS A 43 23.217 -2.187 -7.450 1.00 39.72 C
306
+ ATOM 302 CD LYS A 43 23.396 -0.663 -7.398 1.00 40.02 C
307
+ ATOM 303 CE LYS A 43 22.569 0.046 -8.458 1.00 41.59 C
308
+ ATOM 304 NZ LYS A 43 22.505 1.518 -8.221 1.00 37.43 N
309
+ ATOM 305 N GLY A 44 20.527 -5.115 -5.756 1.00 29.21 N
310
+ ATOM 306 CA GLY A 44 19.592 -5.784 -4.880 1.00 27.31 C
311
+ ATOM 307 C GLY A 44 19.757 -5.404 -3.432 1.00 24.25 C
312
+ ATOM 308 O GLY A 44 20.642 -4.604 -3.081 1.00 27.36 O
313
+ ATOM 309 N LEU A 45 18.905 -5.917 -2.592 1.00 17.92 N
314
+ ATOM 310 CA LEU A 45 19.002 -5.723 -1.156 1.00 16.87 C
315
+ ATOM 311 C LEU A 45 20.276 -6.318 -0.637 1.00 17.88 C
316
+ ATOM 312 O LEU A 45 20.673 -7.423 -1.063 1.00 22.00 O
317
+ ATOM 313 CB LEU A 45 17.827 -6.347 -0.424 1.00 17.86 C
318
+ ATOM 314 CG LEU A 45 16.515 -5.597 -0.345 1.00 20.88 C
319
+ ATOM 315 CD1 LEU A 45 15.418 -6.537 0.115 1.00 21.86 C
320
+ ATOM 316 CD2 LEU A 45 16.632 -4.482 0.707 1.00 19.81 C
321
+ ATOM 317 N GLU A 46 20.928 -5.628 0.302 1.00 15.07 N
322
+ ATOM 318 CA GLU A 46 22.156 -6.118 0.874 1.00 15.58 C
323
+ ATOM 319 C GLU A 46 22.061 -5.995 2.384 1.00 16.59 C
324
+ ATOM 320 O GLU A 46 21.919 -4.862 2.922 1.00 16.82 O
325
+ ATOM 321 CB GLU A 46 23.347 -5.319 0.364 1.00 14.97 C
326
+ ATOM 322 CG GLU A 46 24.674 -5.758 0.957 1.00 16.75 C
327
+ ATOM 323 CD GLU A 46 25.849 -4.921 0.503 1.00 18.12 C
328
+ ATOM 324 OE1 GLU A 46 25.667 -3.792 0.057 1.00 20.64 O
329
+ ATOM 325 OE2 GLU A 46 27.007 -5.422 0.598 1.00 22.53 O
330
+ ATOM 326 N TRP A 47 22.147 -7.117 3.106 1.00 15.38 N
331
+ ATOM 327 CA TRP A 47 22.218 -7.049 4.553 1.00 14.02 C
332
+ ATOM 328 C TRP A 47 23.486 -6.283 4.979 1.00 13.51 C
333
+ ATOM 329 O TRP A 47 24.578 -6.449 4.400 1.00 14.92 O
334
+ ATOM 330 CB TRP A 47 22.173 -8.482 5.136 1.00 15.00 C
335
+ ATOM 331 CG TRP A 47 22.456 -8.503 6.604 1.00 17.59 C
336
+ ATOM 332 CD1 TRP A 47 21.572 -8.267 7.612 1.00 18.25 C
337
+ ATOM 333 CD2 TRP A 47 23.711 -8.784 7.222 1.00 17.22 C
338
+ ATOM 334 NE1 TRP A 47 22.202 -8.383 8.827 1.00 19.65 N
339
+ ATOM 335 CE2 TRP A 47 23.514 -8.700 8.625 1.00 17.05 C
340
+ ATOM 336 CE3 TRP A 47 24.970 -9.099 6.746 1.00 18.24 C
341
+ ATOM 337 CZ2 TRP A 47 24.536 -8.939 9.552 1.00 18.09 C
342
+ ATOM 338 CZ3 TRP A 47 26.002 -9.371 7.685 1.00 22.24 C
343
+ ATOM 339 CH2 TRP A 47 25.767 -9.256 9.075 1.00 17.80 C
344
+ ATOM 340 N VAL A 48 23.311 -5.406 5.986 1.00 12.60 N
345
+ ATOM 341 CA VAL A 48 24.411 -4.560 6.427 1.00 13.74 C
346
+ ATOM 342 C VAL A 48 24.992 -4.975 7.796 1.00 13.35 C
347
+ ATOM 343 O VAL A 48 26.191 -5.129 7.938 1.00 14.89 O
348
+ ATOM 344 CB VAL A 48 23.874 -3.085 6.455 1.00 11.88 C
349
+ ATOM 345 CG1 VAL A 48 24.851 -2.073 7.115 1.00 16.00 C
350
+ ATOM 346 CG2 VAL A 48 23.555 -2.645 5.066 1.00 17.11 C
351
+ ATOM 347 N SER A 49 24.132 -5.092 8.802 1.00 13.07 N
352
+ ATOM 348 CA SER A 49 24.632 -5.357 10.164 1.00 12.19 C
353
+ ATOM 349 C SER A 49 23.455 -5.820 11.019 1.00 13.72 C
354
+ ATOM 350 O SER A 49 22.284 -5.577 10.722 1.00 14.79 O
355
+ ATOM 351 CB SER A 49 25.307 -4.083 10.739 1.00 8.79 C
356
+ ATOM 352 OG ASER A 49 25.965 -4.331 11.973 0.50 11.24 O
357
+ ATOM 353 N SER A 50 23.787 -6.535 12.090 1.00 13.22 N
358
+ ATOM 354 CA SER A 50 22.805 -6.939 13.082 1.00 12.27 C
359
+ ATOM 355 C SER A 50 23.329 -6.845 14.479 1.00 11.34 C
360
+ ATOM 356 O SER A 50 24.522 -6.817 14.710 1.00 14.09 O
361
+ ATOM 357 CB SER A 50 22.368 -8.409 12.934 1.00 7.72 C
362
+ ATOM 358 OG ASER A 50 22.059 -8.701 11.599 0.50 13.28 O
363
+ ATOM 359 N ILE A 51 22.395 -6.803 15.399 1.00 13.23 N
364
+ ATOM 360 CA ILE A 51 22.712 -6.679 16.811 1.00 14.08 C
365
+ ATOM 361 C ILE A 51 21.728 -7.469 17.646 1.00 13.93 C
366
+ ATOM 362 O ILE A 51 20.525 -7.520 17.331 1.00 14.47 O
367
+ ATOM 363 CB ILE A 51 22.739 -5.169 17.220 1.00 14.18 C
368
+ ATOM 364 CG1 ILE A 51 23.179 -4.962 18.664 1.00 13.78 C
369
+ ATOM 365 CG2 ILE A 51 21.371 -4.532 16.988 1.00 16.43 C
370
+ ATOM 366 CD1 ILE A 51 23.333 -3.500 19.043 1.00 16.29 C
371
+ ATOM 367 N SER A 52 22.215 -8.095 18.701 1.00 13.95 N
372
+ ATOM 368 CA SER A 52 21.370 -8.884 19.575 1.00 15.22 C
373
+ ATOM 369 C SER A 52 20.474 -7.980 20.382 1.00 15.79 C
374
+ ATOM 370 O SER A 52 20.728 -6.793 20.481 1.00 15.80 O
375
+ ATOM 371 CB SER A 52 22.219 -9.720 20.507 1.00 15.80 C
376
+ ATOM 372 OG SER A 52 22.853 -8.915 21.484 1.00 16.26 O
377
+ ATOM 373 N GLY A 52A 19.423 -8.554 20.961 1.00 17.71 N
378
+ ATOM 374 CA GLY A 52A 18.463 -7.774 21.738 1.00 16.80 C
379
+ ATOM 375 C GLY A 52A 19.118 -6.891 22.789 1.00 17.18 C
380
+ ATOM 376 O GLY A 52A 18.734 -5.736 22.962 1.00 19.19 O
381
+ ATOM 377 N SER A 53 20.085 -7.465 23.485 1.00 18.89 N
382
+ ATOM 378 CA SER A 53 20.794 -6.807 24.596 1.00 19.53 C
383
+ ATOM 379 C SER A 53 21.915 -5.901 24.124 1.00 19.45 C
384
+ ATOM 380 O SER A 53 22.360 -5.025 24.853 1.00 20.45 O
385
+ ATOM 381 CB SER A 53 21.369 -7.852 25.549 1.00 21.13 C
386
+ ATOM 382 OG SER A 53 22.660 -8.272 25.131 1.00 22.81 O
387
+ ATOM 383 N GLY A 54 22.411 -6.123 22.936 1.00 16.51 N
388
+ ATOM 384 CA GLY A 54 23.496 -5.339 22.406 1.00 16.28 C
389
+ ATOM 385 C GLY A 54 24.812 -6.040 22.702 1.00 16.40 C
390
+ ATOM 386 O GLY A 54 25.895 -5.512 22.404 1.00 18.35 O
391
+ ATOM 387 N GLY A 55 24.747 -7.232 23.274 1.00 16.33 N
392
+ ATOM 388 CA GLY A 55 25.978 -7.938 23.591 1.00 16.48 C
393
+ ATOM 389 C GLY A 55 26.769 -8.473 22.422 1.00 17.76 C
394
+ ATOM 390 O GLY A 55 27.918 -8.860 22.597 1.00 17.45 O
395
+ ATOM 391 N ASN A 56 26.147 -8.573 21.245 1.00 15.98 N
396
+ ATOM 392 CA ASN A 56 26.809 -9.107 20.050 1.00 17.51 C
397
+ ATOM 393 C ASN A 56 26.375 -8.316 18.834 1.00 15.04 C
398
+ ATOM 394 O ASN A 56 25.188 -7.995 18.684 1.00 15.69 O
399
+ ATOM 395 CB ASN A 56 26.388 -10.526 19.701 1.00 20.03 C
400
+ ATOM 396 CG ASN A 56 26.850 -11.590 20.659 1.00 25.81 C
401
+ ATOM 397 OD1 ASN A 56 26.318 -11.734 21.751 1.00 24.67 O
402
+ ATOM 398 ND2 ASN A 56 27.848 -12.358 20.260 1.00 26.05 N
403
+ ATOM 399 N THR A 57 27.319 -7.951 18.007 1.00 14.30 N
404
+ ATOM 400 CA THR A 57 26.988 -7.406 16.688 1.00 14.82 C
405
+ ATOM 401 C THR A 57 27.741 -8.123 15.602 1.00 14.65 C
406
+ ATOM 402 O THR A 57 28.775 -8.796 15.840 1.00 15.38 O
407
+ ATOM 403 CB THR A 57 27.291 -5.873 16.556 1.00 15.05 C
408
+ ATOM 404 OG1 THR A 57 28.699 -5.689 16.421 1.00 16.05 O
409
+ ATOM 405 CG2 THR A 57 26.827 -5.097 17.780 1.00 16.71 C
410
+ ATOM 406 N TYR A 58 27.201 -7.995 14.394 1.00 14.27 N
411
+ ATOM 407 CA TYR A 58 27.731 -8.629 13.195 1.00 16.02 C
412
+ ATOM 408 C TYR A 58 27.611 -7.639 12.048 1.00 15.08 C
413
+ ATOM 409 O TYR A 58 26.613 -6.913 11.982 1.00 16.40 O
414
+ ATOM 410 CB TYR A 58 26.914 -9.881 12.851 1.00 17.65 C
415
+ ATOM 411 CG TYR A 58 26.780 -10.810 14.019 1.00 23.15 C
416
+ ATOM 412 CD1 TYR A 58 25.734 -10.648 14.939 1.00 20.94 C
417
+ ATOM 413 CD2 TYR A 58 27.719 -11.816 14.247 1.00 22.70 C
418
+ ATOM 414 CE1 TYR A 58 25.616 -11.480 16.069 1.00 25.11 C
419
+ ATOM 415 CE2 TYR A 58 27.591 -12.687 15.378 1.00 23.56 C
420
+ ATOM 416 CZ TYR A 58 26.539 -12.485 16.267 1.00 23.33 C
421
+ ATOM 417 OH TYR A 58 26.377 -13.277 17.393 1.00 27.14 O
422
+ ATOM 418 N SER A 59 28.615 -7.576 11.180 1.00 14.72 N
423
+ ATOM 419 CA SER A 59 28.563 -6.684 10.035 1.00 16.11 C
424
+ ATOM 420 C SER A 59 29.012 -7.359 8.772 1.00 17.41 C
425
+ ATOM 421 O SER A 59 29.883 -8.250 8.790 1.00 18.15 O
426
+ ATOM 422 CB SER A 59 29.377 -5.397 10.257 1.00 19.03 C
427
+ ATOM 423 OG ASER A 59 30.715 -5.682 10.403 0.50 17.66 O
428
+ ATOM 424 N ALA A 60 28.415 -6.929 7.672 1.00 16.87 N
429
+ ATOM 425 CA ALA A 60 28.708 -7.472 6.376 1.00 16.41 C
430
+ ATOM 426 C ALA A 60 30.096 -7.135 5.896 1.00 16.64 C
431
+ ATOM 427 O ALA A 60 30.667 -6.117 6.265 1.00 16.29 O
432
+ ATOM 428 CB ALA A 60 27.671 -6.979 5.383 1.00 18.45 C
433
+ ATOM 429 N ASP A 61 30.648 -7.983 5.026 1.00 17.99 N
434
+ ATOM 430 CA ASP A 61 31.974 -7.756 4.511 1.00 19.15 C
435
+ ATOM 431 C ASP A 61 32.170 -6.391 3.848 1.00 18.47 C
436
+ ATOM 432 O ASP A 61 33.237 -5.822 3.938 1.00 20.04 O
437
+ ATOM 433 CB ASP A 61 32.320 -8.867 3.518 1.00 22.59 C
438
+ ATOM 434 CG ASP A 61 32.656 -10.191 4.202 1.00 27.90 C
439
+ ATOM 435 OD1 ASP A 61 32.749 -10.306 5.448 1.00 25.33 O
440
+ ATOM 436 OD2 ASP A 61 32.854 -11.210 3.515 1.00 32.20 O
441
+ ATOM 437 N SER A 62 31.132 -5.869 3.213 1.00 17.25 N
442
+ ATOM 438 CA SER A 62 31.261 -4.585 2.523 1.00 17.28 C
443
+ ATOM 439 C SER A 62 31.314 -3.355 3.423 1.00 17.33 C
444
+ ATOM 440 O SER A 62 31.730 -2.291 2.976 1.00 18.77 O
445
+ ATOM 441 CB SER A 62 30.077 -4.388 1.591 1.00 18.78 C
446
+ ATOM 442 OG SER A 62 28.910 -4.575 2.358 1.00 20.39 O
447
+ ATOM 443 N VAL A 63 30.928 -3.528 4.688 1.00 15.93 N
448
+ ATOM 444 CA VAL A 63 30.836 -2.370 5.596 1.00 15.80 C
449
+ ATOM 445 C VAL A 63 31.583 -2.586 6.898 1.00 16.04 C
450
+ ATOM 446 O VAL A 63 31.682 -1.655 7.701 1.00 15.48 O
451
+ ATOM 447 CB VAL A 63 29.386 -2.020 5.943 1.00 14.25 C
452
+ ATOM 448 CG1 VAL A 63 28.564 -1.790 4.667 1.00 16.72 C
453
+ ATOM 449 CG2 VAL A 63 28.748 -3.070 6.854 1.00 16.06 C
454
+ ATOM 450 N LYS A 64 32.043 -3.783 7.175 1.00 17.38 N
455
+ ATOM 451 CA LYS A 64 32.727 -4.039 8.441 1.00 17.64 C
456
+ ATOM 452 C LYS A 64 33.922 -3.102 8.666 1.00 16.40 C
457
+ ATOM 453 O LYS A 64 34.745 -2.882 7.764 1.00 17.41 O
458
+ ATOM 454 CB LYS A 64 33.193 -5.489 8.498 1.00 16.90 C
459
+ ATOM 455 CG LYS A 64 34.000 -5.901 7.295 1.00 18.82 C
460
+ ATOM 456 CD LYS A 64 34.047 -7.409 7.155 1.00 22.87 C
461
+ ATOM 457 CE LYS A 64 35.301 -7.854 6.411 1.00 23.01 C
462
+ ATOM 458 NZ LYS A 64 35.348 -9.330 6.237 1.00 26.95 N
463
+ ATOM 459 N GLY A 65 33.972 -2.644 9.912 1.00 15.78 N
464
+ ATOM 460 CA GLY A 65 35.016 -1.688 10.267 1.00 16.63 C
465
+ ATOM 461 C GLY A 65 34.765 -0.258 9.862 1.00 19.99 C
466
+ ATOM 462 O GLY A 65 35.633 0.615 10.094 1.00 22.86 O
467
+ ATOM 463 N ARG A 66 33.655 -0.023 9.177 1.00 14.43 N
468
+ ATOM 464 CA ARG A 66 33.250 1.337 8.848 1.00 15.54 C
469
+ ATOM 465 C ARG A 66 31.885 1.661 9.399 1.00 15.44 C
470
+ ATOM 466 O ARG A 66 31.675 2.769 9.855 1.00 15.88 O
471
+ ATOM 467 CB ARG A 66 33.211 1.519 7.352 1.00 13.89 C
472
+ ATOM 468 CG ARG A 66 34.551 1.349 6.694 1.00 16.58 C
473
+ ATOM 469 CD ARG A 66 34.495 1.711 5.211 1.00 15.78 C
474
+ ATOM 470 NE ARG A 66 33.484 0.906 4.544 1.00 13.91 N
475
+ ATOM 471 CZ ARG A 66 32.397 1.400 3.950 1.00 14.17 C
476
+ ATOM 472 NH1 ARG A 66 32.190 2.727 3.940 1.00 14.88 N
477
+ ATOM 473 NH2 ARG A 66 31.542 0.591 3.337 1.00 14.74 N
478
+ ATOM 474 N PHE A 67 30.958 0.711 9.402 1.00 14.29 N
479
+ ATOM 475 CA PHE A 67 29.598 0.947 9.905 1.00 15.28 C
480
+ ATOM 476 C PHE A 67 29.415 0.222 11.228 1.00 14.78 C
481
+ ATOM 477 O PHE A 67 29.680 -1.002 11.350 1.00 16.40 O
482
+ ATOM 478 CB PHE A 67 28.541 0.421 8.932 1.00 15.82 C
483
+ ATOM 479 CG PHE A 67 28.439 1.192 7.633 1.00 14.90 C
484
+ ATOM 480 CD1 PHE A 67 29.367 2.176 7.290 1.00 13.09 C
485
+ ATOM 481 CD2 PHE A 67 27.397 0.898 6.758 1.00 14.76 C
486
+ ATOM 482 CE1 PHE A 67 29.277 2.840 6.049 1.00 14.04 C
487
+ ATOM 483 CE2 PHE A 67 27.284 1.561 5.554 1.00 14.97 C
488
+ ATOM 484 CZ PHE A 67 28.228 2.524 5.193 1.00 16.64 C
489
+ ATOM 485 N THR A 68 28.964 0.981 12.217 1.00 13.38 N
490
+ ATOM 486 CA THR A 68 28.783 0.498 13.590 1.00 13.86 C
491
+ ATOM 487 C THR A 68 27.340 0.533 14.023 1.00 13.83 C
492
+ ATOM 488 O THR A 68 26.775 1.612 14.240 1.00 13.91 O
493
+ ATOM 489 CB THR A 68 29.611 1.417 14.496 1.00 15.30 C
494
+ ATOM 490 OG1 THR A 68 30.994 1.309 14.101 1.00 21.13 O
495
+ ATOM 491 CG2 THR A 68 29.586 0.956 15.916 1.00 19.50 C
496
+ ATOM 492 N ILE A 69 26.751 -0.640 14.204 1.00 14.25 N
497
+ ATOM 493 CA ILE A 69 25.406 -0.754 14.744 1.00 13.77 C
498
+ ATOM 494 C ILE A 69 25.426 -0.596 16.236 1.00 13.99 C
499
+ ATOM 495 O ILE A 69 26.323 -1.023 16.945 1.00 16.48 O
500
+ ATOM 496 CB ILE A 69 24.769 -2.068 14.266 1.00 12.69 C
501
+ ATOM 497 CG1 ILE A 69 23.271 -2.069 14.471 1.00 13.23 C
502
+ ATOM 498 CG2 ILE A 69 25.447 -3.318 14.936 1.00 14.92 C
503
+ ATOM 499 CD1 ILE A 69 22.579 -3.341 13.757 1.00 13.52 C
504
+ ATOM 500 N SER A 70 24.373 0.018 16.729 1.00 13.55 N
505
+ ATOM 501 CA SER A 70 24.172 0.120 18.185 1.00 13.56 C
506
+ ATOM 502 C SER A 70 22.694 0.301 18.456 1.00 12.87 C
507
+ ATOM 503 O SER A 70 21.907 0.469 17.526 1.00 13.27 O
508
+ ATOM 504 CB SER A 70 24.965 1.291 18.769 1.00 15.85 C
509
+ ATOM 505 OG SER A 70 24.454 2.531 18.270 1.00 14.56 O
510
+ ATOM 506 N ARG A 71 22.338 0.233 19.717 1.00 14.90 N
511
+ ATOM 507 CA ARG A 71 20.976 0.454 20.091 1.00 15.67 C
512
+ ATOM 508 C ARG A 71 20.864 1.098 21.442 1.00 15.18 C
513
+ ATOM 509 O ARG A 71 21.784 1.062 22.254 1.00 17.10 O
514
+ ATOM 510 CB ARG A 71 20.192 -0.864 20.090 1.00 16.67 C
515
+ ATOM 511 CG ARG A 71 20.611 -1.833 21.184 1.00 17.17 C
516
+ ATOM 512 CD ARG A 71 20.185 -3.260 20.877 1.00 16.90 C
517
+ ATOM 513 NE ARG A 71 18.729 -3.372 20.924 1.00 16.40 N
518
+ ATOM 514 CZ ARG A 71 18.004 -4.249 20.248 1.00 13.89 C
519
+ ATOM 515 NH1 ARG A 71 18.617 -5.111 19.452 1.00 16.09 N
520
+ ATOM 516 NH2 ARG A 71 16.689 -4.260 20.382 1.00 17.43 N
521
+ ATOM 517 N ASP A 72 19.730 1.754 21.650 1.00 14.10 N
522
+ ATOM 518 CA ASP A 72 19.425 2.285 22.965 1.00 15.81 C
523
+ ATOM 519 C ASP A 72 18.102 1.686 23.354 1.00 17.67 C
524
+ ATOM 520 O ASP A 72 17.027 2.127 22.928 1.00 19.06 O
525
+ ATOM 521 CB ASP A 72 19.337 3.785 22.861 1.00 17.73 C
526
+ ATOM 522 CG ASP A 72 19.005 4.453 24.177 1.00 20.93 C
527
+ ATOM 523 OD1 ASP A 72 18.461 3.819 25.097 1.00 21.46 O
528
+ ATOM 524 OD2 ASP A 72 19.261 5.636 24.362 1.00 24.56 O
529
+ ATOM 525 N ASN A 73 18.181 0.653 24.185 1.00 17.85 N
530
+ ATOM 526 CA ASN A 73 16.962 -0.023 24.573 1.00 18.97 C
531
+ ATOM 527 C ASN A 73 16.010 0.842 25.414 1.00 23.17 C
532
+ ATOM 528 O ASN A 73 14.781 0.688 25.296 1.00 28.32 O
533
+ ATOM 529 CB ASN A 73 17.278 -1.357 25.211 1.00 19.63 C
534
+ ATOM 530 CG ASN A 73 17.686 -2.403 24.195 1.00 18.60 C
535
+ ATOM 531 OD1 ASN A 73 17.397 -2.264 23.016 1.00 18.40 O
536
+ ATOM 532 ND2 ASN A 73 18.383 -3.461 24.650 1.00 19.70 N
537
+ ATOM 533 N ALA A 74 16.542 1.811 26.168 1.00 18.93 N
538
+ ATOM 534 CA ALA A 74 15.668 2.688 26.968 1.00 21.03 C
539
+ ATOM 535 C ALA A 74 14.820 3.591 26.099 1.00 23.02 C
540
+ ATOM 536 O ALA A 74 13.701 3.931 26.467 1.00 25.94 O
541
+ ATOM 537 CB ALA A 74 16.472 3.532 27.992 1.00 21.61 C
542
+ ATOM 538 N LYS A 75 15.333 3.929 24.920 1.00 21.69 N
543
+ ATOM 539 CA LYS A 75 14.647 4.850 24.010 1.00 22.03 C
544
+ ATOM 540 C LYS A 75 14.092 4.144 22.774 1.00 21.70 C
545
+ ATOM 541 O LYS A 75 13.669 4.814 21.821 1.00 24.01 O
546
+ ATOM 542 CB LYS A 75 15.551 6.002 23.616 1.00 25.21 C
547
+ ATOM 543 CG LYS A 75 16.153 6.734 24.817 1.00 29.68 C
548
+ ATOM 544 CD LYS A 75 15.507 8.098 24.990 1.00 35.96 C
549
+ ATOM 545 CE LYS A 75 15.958 8.764 26.283 1.00 37.55 C
550
+ ATOM 546 NZ LYS A 75 16.199 7.760 27.356 0.00 37.94 N
551
+ ATOM 547 N ASN A 76 14.099 2.813 22.780 1.00 19.61 N
552
+ ATOM 548 CA ASN A 76 13.531 2.052 21.679 1.00 21.28 C
553
+ ATOM 549 C ASN A 76 14.074 2.482 20.324 1.00 18.58 C
554
+ ATOM 550 O ASN A 76 13.331 2.715 19.386 1.00 20.17 O
555
+ ATOM 551 CB ASN A 76 12.011 2.114 21.726 1.00 24.04 C
556
+ ATOM 552 CG ASN A 76 11.487 1.687 23.065 1.00 29.27 C
557
+ ATOM 553 OD1 ASN A 76 10.910 2.490 23.815 1.00 31.41 O
558
+ ATOM 554 ND2 ASN A 76 11.746 0.452 23.411 1.00 26.61 N
559
+ ATOM 555 N SER A 77 15.397 2.601 20.238 1.00 17.90 N
560
+ ATOM 556 CA SER A 77 16.006 3.135 19.037 1.00 16.03 C
561
+ ATOM 557 C SER A 77 17.198 2.303 18.633 1.00 14.91 C
562
+ ATOM 558 O SER A 77 18.002 1.880 19.467 1.00 17.21 O
563
+ ATOM 559 CB SER A 77 16.477 4.563 19.278 1.00 20.32 C
564
+ ATOM 560 OG ASER A 77 15.436 5.387 19.764 0.50 21.15 O
565
+ ATOM 561 N LEU A 78 17.286 2.093 17.325 1.00 14.39 N
566
+ ATOM 562 CA LEU A 78 18.401 1.420 16.694 1.00 15.34 C
567
+ ATOM 563 C LEU A 78 19.224 2.439 15.903 1.00 14.80 C
568
+ ATOM 564 O LEU A 78 18.674 3.369 15.328 1.00 14.93 O
569
+ ATOM 565 CB LEU A 78 17.869 0.345 15.736 1.00 14.64 C
570
+ ATOM 566 CG LEU A 78 18.922 -0.474 14.985 1.00 15.99 C
571
+ ATOM 567 CD1 LEU A 78 19.627 -1.439 15.958 1.00 14.33 C
572
+ ATOM 568 CD2 LEU A 78 18.275 -1.219 13.805 1.00 16.84 C
573
+ ATOM 569 N TYR A 79 20.532 2.267 15.872 1.00 13.93 N
574
+ ATOM 570 CA TYR A 79 21.395 3.253 15.210 1.00 15.23 C
575
+ ATOM 571 C TYR A 79 22.362 2.578 14.252 1.00 13.64 C
576
+ ATOM 572 O TYR A 79 22.684 1.382 14.418 1.00 13.13 O
577
+ ATOM 573 CB TYR A 79 22.208 4.049 16.233 1.00 14.24 C
578
+ ATOM 574 CG TYR A 79 21.356 4.800 17.214 1.00 16.73 C
579
+ ATOM 575 CD1 TYR A 79 20.734 5.971 16.840 1.00 17.80 C
580
+ ATOM 576 CD2 TYR A 79 21.123 4.267 18.477 1.00 17.37 C
581
+ ATOM 577 CE1 TYR A 79 19.921 6.631 17.703 1.00 18.63 C
582
+ ATOM 578 CE2 TYR A 79 20.292 4.940 19.365 1.00 19.71 C
583
+ ATOM 579 CZ TYR A 79 19.736 6.130 18.967 1.00 18.74 C
584
+ ATOM 580 OH TYR A 79 18.888 6.870 19.806 1.00 21.86 O
585
+ ATOM 581 N LEU A 80 22.821 3.307 13.246 1.00 13.49 N
586
+ ATOM 582 CA LEU A 80 23.923 2.860 12.399 1.00 12.57 C
587
+ ATOM 583 C LEU A 80 24.833 4.068 12.238 1.00 13.76 C
588
+ ATOM 584 O LEU A 80 24.487 5.044 11.548 1.00 15.38 O
589
+ ATOM 585 CB LEU A 80 23.432 2.333 11.058 1.00 12.90 C
590
+ ATOM 586 CG LEU A 80 24.495 1.693 10.197 1.00 13.28 C
591
+ ATOM 587 CD1 LEU A 80 24.948 0.365 10.876 1.00 15.42 C
592
+ ATOM 588 CD2 LEU A 80 23.969 1.428 8.809 1.00 14.08 C
593
+ ATOM 589 N GLN A 81 25.992 3.988 12.857 1.00 14.31 N
594
+ ATOM 590 CA GLN A 81 27.004 5.024 12.667 1.00 15.04 C
595
+ ATOM 591 C GLN A 81 27.795 4.656 11.433 1.00 14.94 C
596
+ ATOM 592 O GLN A 81 28.502 3.634 11.429 1.00 15.64 O
597
+ ATOM 593 CB GLN A 81 27.921 5.108 13.882 1.00 14.69 C
598
+ ATOM 594 CG GLN A 81 29.042 6.127 13.663 1.00 16.16 C
599
+ ATOM 595 CD GLN A 81 28.489 7.541 13.552 1.00 17.65 C
600
+ ATOM 596 OE1 GLN A 81 27.658 7.974 14.345 1.00 20.04 O
601
+ ATOM 597 NE2 GLN A 81 28.939 8.245 12.532 1.00 19.67 N
602
+ ATOM 598 N MET A 82 27.618 5.403 10.371 1.00 15.31 N
603
+ ATOM 599 CA MET A 82 28.320 5.158 9.138 1.00 14.52 C
604
+ ATOM 600 C MET A 82 29.514 6.069 8.986 1.00 17.37 C
605
+ ATOM 601 O MET A 82 29.370 7.288 8.893 1.00 23.16 O
606
+ ATOM 602 CB MET A 82 27.375 5.309 7.949 1.00 17.15 C
607
+ ATOM 603 CG MET A 82 26.090 4.525 8.077 1.00 17.02 C
608
+ ATOM 604 SD MET A 82 24.812 5.159 6.985 1.00 25.24 S
609
+ ATOM 605 CE MET A 82 24.976 4.042 5.594 1.00 21.53 C
610
+ ATOM 606 N ASN A 82A 30.700 5.510 8.972 1.00 15.80 N
611
+ ATOM 607 CA ASN A 82A 31.920 6.283 8.804 1.00 15.83 C
612
+ ATOM 608 C ASN A 82A 32.599 5.939 7.507 1.00 16.34 C
613
+ ATOM 609 O ASN A 82A 32.297 4.924 6.892 1.00 15.39 O
614
+ ATOM 610 CB ASN A 82A 32.890 5.919 9.926 1.00 15.34 C
615
+ ATOM 611 CG ASN A 82A 32.278 6.066 11.267 1.00 19.91 C
616
+ ATOM 612 OD1 ASN A 82A 31.914 7.167 11.674 1.00 23.74 O
617
+ ATOM 613 ND2 ASN A 82A 32.046 4.929 11.941 1.00 22.18 N
618
+ ATOM 614 N SER A 82B 33.559 6.775 7.106 1.00 16.90 N
619
+ ATOM 615 CA SER A 82B 34.374 6.539 5.933 1.00 16.45 C
620
+ ATOM 616 C SER A 82B 33.502 6.197 4.705 1.00 15.97 C
621
+ ATOM 617 O SER A 82B 33.673 5.183 4.008 1.00 17.64 O
622
+ ATOM 618 CB SER A 82B 35.348 5.389 6.236 1.00 18.06 C
623
+ ATOM 619 OG SER A 82B 36.317 5.282 5.233 1.00 23.48 O
624
+ ATOM 620 N LEU A 82C 32.527 7.072 4.453 1.00 15.89 N
625
+ ATOM 621 CA LEU A 82C 31.521 6.748 3.453 1.00 15.57 C
626
+ ATOM 622 C LEU A 82C 32.108 6.713 2.062 1.00 15.62 C
627
+ ATOM 623 O LEU A 82C 33.045 7.475 1.702 1.00 16.33 O
628
+ ATOM 624 CB LEU A 82C 30.361 7.770 3.511 1.00 17.28 C
629
+ ATOM 625 CG LEU A 82C 29.352 7.400 4.598 1.00 16.63 C
630
+ ATOM 626 CD1 LEU A 82C 28.478 8.569 5.048 1.00 20.80 C
631
+ ATOM 627 CD2 LEU A 82C 28.439 6.240 4.155 1.00 21.81 C
632
+ ATOM 628 N ARG A 83 31.598 5.772 1.290 1.00 14.91 N
633
+ ATOM 629 CA ARG A 83 32.053 5.573 -0.082 1.00 14.77 C
634
+ ATOM 630 C ARG A 83 30.908 5.716 -1.087 1.00 13.33 C
635
+ ATOM 631 O ARG A 83 29.747 5.553 -0.727 1.00 14.95 O
636
+ ATOM 632 CB ARG A 83 32.555 4.120 -0.225 1.00 17.74 C
637
+ ATOM 633 CG ARG A 83 33.677 3.703 0.705 1.00 18.59 C
638
+ ATOM 634 CD ARG A 83 33.802 2.196 0.734 1.00 19.94 C
639
+ ATOM 635 NE ARG A 83 34.952 1.776 1.526 1.00 22.07 N
640
+ ATOM 636 CZ ARG A 83 35.254 0.522 1.774 1.00 22.85 C
641
+ ATOM 637 NH1 ARG A 83 34.508 -0.446 1.299 1.00 23.99 N
642
+ ATOM 638 NH2 ARG A 83 36.329 0.240 2.513 1.00 28.19 N
643
+ ATOM 639 N ALA A 84 31.243 5.986 -2.342 1.00 15.54 N
644
+ ATOM 640 CA ALA A 84 30.221 5.997 -3.382 1.00 17.19 C
645
+ ATOM 641 C ALA A 84 29.317 4.763 -3.344 1.00 15.47 C
646
+ ATOM 642 O ALA A 84 28.088 4.856 -3.523 1.00 17.83 O
647
+ ATOM 643 CB ALA A 84 30.861 6.124 -4.756 1.00 17.42 C
648
+ ATOM 644 N GLU A 85 29.905 3.604 -3.110 1.00 17.29 N
649
+ ATOM 645 CA GLU A 85 29.133 2.368 -3.156 1.00 18.90 C
650
+ ATOM 646 C GLU A 85 28.202 2.210 -1.966 1.00 15.52 C
651
+ ATOM 647 O GLU A 85 27.416 1.260 -1.950 1.00 17.58 O
652
+ ATOM 648 CB GLU A 85 30.083 1.182 -3.260 1.00 22.45 C
653
+ ATOM 649 CG GLU A 85 30.858 0.938 -2.005 1.00 29.12 C
654
+ ATOM 650 CD GLU A 85 31.657 -0.362 -2.018 1.00 36.72 C
655
+ ATOM 651 OE1 GLU A 85 32.050 -0.849 -0.914 1.00 35.24 O
656
+ ATOM 652 OE2 GLU A 85 31.903 -0.881 -3.134 1.00 39.77 O
657
+ ATOM 653 N ASP A 86 28.261 3.119 -0.987 1.00 13.80 N
658
+ ATOM 654 CA ASP A 86 27.334 3.138 0.156 1.00 15.06 C
659
+ ATOM 655 C ASP A 86 26.033 3.875 -0.111 1.00 15.50 C
660
+ ATOM 656 O ASP A 86 25.112 3.836 0.714 1.00 15.97 O
661
+ ATOM 657 CB ASP A 86 27.979 3.755 1.391 1.00 15.60 C
662
+ ATOM 658 CG ASP A 86 29.154 2.970 1.886 1.00 17.03 C
663
+ ATOM 659 OD1 ASP A 86 29.141 1.710 1.870 1.00 16.49 O
664
+ ATOM 660 OD2 ASP A 86 30.127 3.586 2.332 1.00 16.63 O
665
+ ATOM 661 N THR A 87 25.957 4.554 -1.245 1.00 15.76 N
666
+ ATOM 662 CA THR A 87 24.715 5.230 -1.617 1.00 15.88 C
667
+ ATOM 663 C THR A 87 23.615 4.206 -1.783 1.00 15.08 C
668
+ ATOM 664 O THR A 87 23.777 3.231 -2.515 1.00 16.82 O
669
+ ATOM 665 CB THR A 87 24.952 5.934 -2.932 1.00 14.81 C
670
+ ATOM 666 OG1 THR A 87 25.832 7.029 -2.700 1.00 16.62 O
671
+ ATOM 667 CG2 THR A 87 23.649 6.551 -3.499 1.00 15.98 C
672
+ ATOM 668 N ALA A 88 22.520 4.427 -1.091 1.00 13.80 N
673
+ ATOM 669 CA ALA A 88 21.415 3.482 -1.099 1.00 14.18 C
674
+ ATOM 670 C ALA A 88 20.344 3.953 -0.122 1.00 14.46 C
675
+ ATOM 671 O ALA A 88 20.538 4.891 0.637 1.00 14.01 O
676
+ ATOM 672 CB ALA A 88 21.868 2.093 -0.681 1.00 15.46 C
677
+ ATOM 673 N VAL A 89 19.153 3.338 -0.218 1.00 13.08 N
678
+ ATOM 674 CA VAL A 89 18.137 3.504 0.789 1.00 13.34 C
679
+ ATOM 675 C VAL A 89 18.391 2.491 1.874 1.00 14.49 C
680
+ ATOM 676 O VAL A 89 18.567 1.277 1.556 1.00 14.98 O
681
+ ATOM 677 CB VAL A 89 16.724 3.335 0.232 1.00 14.62 C
682
+ ATOM 678 CG1 VAL A 89 15.670 3.546 1.315 1.00 13.20 C
683
+ ATOM 679 CG2 VAL A 89 16.514 4.277 -0.949 1.00 16.52 C
684
+ ATOM 680 N TYR A 90 18.413 2.936 3.118 1.00 12.75 N
685
+ ATOM 681 CA TYR A 90 18.710 2.063 4.261 1.00 12.00 C
686
+ ATOM 682 C TYR A 90 17.445 1.810 5.017 1.00 13.31 C
687
+ ATOM 683 O TYR A 90 16.683 2.718 5.293 1.00 13.80 O
688
+ ATOM 684 CB TYR A 90 19.723 2.718 5.206 1.00 12.61 C
689
+ ATOM 685 CG TYR A 90 21.102 2.676 4.621 1.00 11.03 C
690
+ ATOM 686 CD1 TYR A 90 21.460 3.445 3.518 1.00 11.40 C
691
+ ATOM 687 CD2 TYR A 90 22.071 1.821 5.171 1.00 11.52 C
692
+ ATOM 688 CE1 TYR A 90 22.711 3.368 2.982 1.00 12.11 C
693
+ ATOM 689 CE2 TYR A 90 23.339 1.736 4.624 1.00 12.50 C
694
+ ATOM 690 CZ TYR A 90 23.682 2.523 3.509 1.00 13.29 C
695
+ ATOM 691 OH TYR A 90 24.907 2.439 2.918 1.00 14.22 O
696
+ ATOM 692 N TYR A 91 17.230 0.542 5.433 1.00 11.38 N
697
+ ATOM 693 CA TYR A 91 16.057 0.121 6.177 1.00 11.51 C
698
+ ATOM 694 C TYR A 91 16.474 -0.612 7.426 1.00 13.56 C
699
+ ATOM 695 O TYR A 91 17.444 -1.353 7.404 1.00 14.77 O
700
+ ATOM 696 CB TYR A 91 15.187 -0.863 5.384 1.00 13.54 C
701
+ ATOM 697 CG TYR A 91 14.681 -0.311 4.081 1.00 12.02 C
702
+ ATOM 698 CD1 TYR A 91 13.435 0.293 4.027 1.00 14.36 C
703
+ ATOM 699 CD2 TYR A 91 15.456 -0.440 2.909 1.00 14.58 C
704
+ ATOM 700 CE1 TYR A 91 12.960 0.797 2.783 1.00 15.51 C
705
+ ATOM 701 CE2 TYR A 91 14.994 0.045 1.682 1.00 16.49 C
706
+ ATOM 702 CZ TYR A 91 13.748 0.665 1.662 1.00 15.43 C
707
+ ATOM 703 OH TYR A 91 13.329 1.130 0.424 1.00 20.80 O
708
+ ATOM 704 N CYS A 92 15.734 -0.419 8.498 1.00 13.94 N
709
+ ATOM 705 CA CYS A 92 15.969 -1.220 9.652 1.00 14.93 C
710
+ ATOM 706 C CYS A 92 14.977 -2.395 9.607 1.00 14.30 C
711
+ ATOM 707 O CYS A 92 14.000 -2.425 8.837 1.00 15.71 O
712
+ ATOM 708 CB CYS A 92 15.991 -0.422 10.943 1.00 18.46 C
713
+ ATOM 709 SG CYS A 92 14.423 0.397 11.216 1.00 22.07 S
714
+ ATOM 710 N ALA A 93 15.294 -3.371 10.413 1.00 14.72 N
715
+ ATOM 711 CA ALA A 93 14.498 -4.608 10.443 1.00 13.90 C
716
+ ATOM 712 C ALA A 93 14.531 -5.181 11.820 1.00 14.94 C
717
+ ATOM 713 O ALA A 93 15.507 -5.080 12.515 1.00 15.64 O
718
+ ATOM 714 CB ALA A 93 15.071 -5.611 9.448 1.00 14.96 C
719
+ ATOM 715 N ARG A 94 13.421 -5.831 12.266 1.00 16.80 N
720
+ ATOM 716 CA ARG A 94 13.392 -6.312 13.664 1.00 20.59 C
721
+ ATOM 717 C ARG A 94 13.612 -7.806 13.822 1.00 26.62 C
722
+ ATOM 718 O ARG A 94 12.877 -8.491 14.536 1.00 29.45 O
723
+ ATOM 719 CB ARG A 94 12.054 -5.948 14.288 1.00 27.69 C
724
+ ATOM 720 CG ARG A 94 10.915 -6.688 13.612 1.00 28.57 C
725
+ ATOM 721 CD ARG A 94 9.725 -6.857 14.540 1.00 29.87 C
726
+ ATOM 722 NE ARG A 94 10.077 -7.552 15.779 1.00 32.96 N
727
+ ATOM 723 CZ ARG A 94 9.161 -8.061 16.603 1.00 35.77 C
728
+ ATOM 724 NH1 ARG A 94 7.879 -7.932 16.319 1.00 32.19 N
729
+ ATOM 725 NH2 ARG A 94 9.524 -8.689 17.717 0.00 44.19 N
730
+ ATOM 726 N ASP A 95 14.635 -8.308 13.138 1.00 20.59 N
731
+ ATOM 727 CA ASP A 95 15.132 -9.681 13.141 1.00 22.19 C
732
+ ATOM 728 C ASP A 95 16.613 -9.620 12.906 1.00 18.91 C
733
+ ATOM 729 O ASP A 95 17.167 -8.546 12.743 1.00 20.36 O
734
+ ATOM 730 CB ASP A 95 14.533 -10.505 11.992 0.50 16.54 C
735
+ ATOM 731 CG ASP A 95 14.883 -9.967 10.602 0.50 17.41 C
736
+ ATOM 732 OD1 ASP A 95 14.986 -8.713 10.476 0.50 17.97 O
737
+ ATOM 733 OD2 ASP A 95 15.062 -10.755 9.656 0.50 18.46 O
738
+ ATOM 734 N TRP A 96 17.276 -10.751 12.887 1.00 17.99 N
739
+ ATOM 735 CA TRP A 96 18.720 -10.811 12.642 1.00 18.33 C
740
+ ATOM 736 C TRP A 96 19.086 -10.608 11.180 1.00 14.93 C
741
+ ATOM 737 O TRP A 96 20.160 -10.135 10.845 1.00 17.71 O
742
+ ATOM 738 CB TRP A 96 19.256 -12.208 12.905 1.00 18.09 C
743
+ ATOM 739 CG TRP A 96 19.301 -12.606 14.328 1.00 20.27 C
744
+ ATOM 740 CD1 TRP A 96 18.470 -13.496 14.950 1.00 22.96 C
745
+ ATOM 741 CD2 TRP A 96 20.252 -12.165 15.299 1.00 21.92 C
746
+ ATOM 742 NE1 TRP A 96 18.852 -13.622 16.264 1.00 24.25 N
747
+ ATOM 743 CE2 TRP A 96 19.941 -12.817 16.497 1.00 23.40 C
748
+ ATOM 744 CE3 TRP A 96 21.349 -11.287 15.254 1.00 21.76 C
749
+ ATOM 745 CZ2 TRP A 96 20.690 -12.597 17.673 1.00 25.00 C
750
+ ATOM 746 CZ3 TRP A 96 22.092 -11.069 16.392 1.00 25.96 C
751
+ ATOM 747 CH2 TRP A 96 21.750 -11.720 17.593 1.00 25.53 C
752
+ ATOM 748 N TYR A 97 18.142 -11.007 10.323 1.00 18.86 N
753
+ ATOM 749 CA TYR A 97 18.403 -11.099 8.874 1.00 19.50 C
754
+ ATOM 750 C TYR A 97 18.027 -9.953 7.930 1.00 20.01 C
755
+ ATOM 751 O TYR A 97 18.138 -10.091 6.704 1.00 19.88 O
756
+ ATOM 752 CB TYR A 97 17.747 -12.393 8.434 1.00 21.66 C
757
+ ATOM 753 CG TYR A 97 18.031 -13.513 9.433 1.00 25.16 C
758
+ ATOM 754 CD1 TYR A 97 17.056 -14.009 10.303 1.00 28.41 C
759
+ ATOM 755 CD2 TYR A 97 19.322 -14.055 9.479 1.00 26.15 C
760
+ ATOM 756 CE1 TYR A 97 17.365 -15.028 11.178 1.00 28.21 C
761
+ ATOM 757 CE2 TYR A 97 19.624 -15.083 10.361 1.00 30.36 C
762
+ ATOM 758 CZ TYR A 97 18.649 -15.568 11.187 1.00 29.15 C
763
+ ATOM 759 OH TYR A 97 18.943 -16.606 12.035 1.00 31.46 O
764
+ ATOM 760 N GLY A 98 17.576 -8.797 8.479 1.00 18.73 N
765
+ ATOM 761 CA GLY A 98 17.149 -7.630 7.712 1.00 17.22 C
766
+ ATOM 762 C GLY A 98 15.978 -7.972 6.800 1.00 15.93 C
767
+ ATOM 763 O GLY A 98 15.851 -7.443 5.701 1.00 17.36 O
768
+ ATOM 764 N MET A 99 15.140 -8.894 7.297 1.00 17.92 N
769
+ ATOM 765 CA MET A 99 14.003 -9.389 6.462 1.00 18.47 C
770
+ ATOM 766 C MET A 99 12.633 -9.124 7.094 1.00 21.27 C
771
+ ATOM 767 O MET A 99 11.612 -9.608 6.602 1.00 20.29 O
772
+ ATOM 768 CB MET A 99 14.209 -10.862 6.115 1.00 19.27 C
773
+ ATOM 769 CG MET A 99 15.212 -11.094 4.999 1.00 16.96 C
774
+ ATOM 770 SD MET A 99 15.885 -12.768 4.982 1.00 23.87 S
775
+ ATOM 771 CE MET A 99 16.255 -12.972 3.242 1.00 25.30 C
776
+ ATOM 772 N ASP A 101 12.592 -8.366 8.193 1.00 17.62 N
777
+ ATOM 773 CA ASP A 101 11.340 -7.995 8.838 1.00 17.44 C
778
+ ATOM 774 C ASP A 101 11.309 -6.464 8.861 1.00 18.81 C
779
+ ATOM 775 O ASP A 101 11.643 -5.817 9.873 1.00 18.24 O
780
+ ATOM 776 CB ASP A 101 11.248 -8.614 10.230 1.00 20.49 C
781
+ ATOM 777 CG ASP A 101 9.854 -8.553 10.832 1.00 22.21 C
782
+ ATOM 778 OD1 ASP A 101 8.917 -8.079 10.162 1.00 22.49 O
783
+ ATOM 779 OD2 ASP A 101 9.636 -8.953 11.993 1.00 25.76 O
784
+ ATOM 780 N VAL A 102 10.898 -5.942 7.722 1.00 17.85 N
785
+ ATOM 781 CA VAL A 102 11.007 -4.505 7.396 1.00 16.56 C
786
+ ATOM 782 C VAL A 102 9.631 -3.835 7.431 1.00 17.82 C
787
+ ATOM 783 O VAL A 102 8.712 -4.280 6.753 1.00 20.20 O
788
+ ATOM 784 CB VAL A 102 11.679 -4.363 6.017 1.00 16.95 C
789
+ ATOM 785 CG1 VAL A 102 11.670 -2.897 5.549 1.00 15.77 C
790
+ ATOM 786 CG2 VAL A 102 13.088 -4.903 6.071 1.00 18.10 C
791
+ ATOM 787 N TRP A 103 9.502 -2.749 8.185 1.00 16.92 N
792
+ ATOM 788 CA TRP A 103 8.247 -2.022 8.399 1.00 17.80 C
793
+ ATOM 789 C TRP A 103 8.268 -0.547 7.986 1.00 19.33 C
794
+ ATOM 790 O TRP A 103 7.199 0.088 7.951 1.00 21.34 O
795
+ ATOM 791 CB TRP A 103 7.907 -2.086 9.873 1.00 20.01 C
796
+ ATOM 792 CG TRP A 103 7.581 -3.494 10.314 1.00 17.85 C
797
+ ATOM 793 CD1 TRP A 103 8.460 -4.484 10.608 1.00 20.31 C
798
+ ATOM 794 CD2 TRP A 103 6.273 -4.036 10.527 1.00 20.52 C
799
+ ATOM 795 NE1 TRP A 103 7.788 -5.632 10.970 1.00 19.31 N
800
+ ATOM 796 CE2 TRP A 103 6.446 -5.387 10.922 1.00 18.46 C
801
+ ATOM 797 CE3 TRP A 103 4.974 -3.528 10.377 1.00 20.41 C
802
+ ATOM 798 CZ2 TRP A 103 5.373 -6.237 11.195 1.00 19.40 C
803
+ ATOM 799 CZ3 TRP A 103 3.892 -4.371 10.649 1.00 20.47 C
804
+ ATOM 800 CH2 TRP A 103 4.112 -5.722 11.055 1.00 21.86 C
805
+ ATOM 801 N GLY A 104 9.455 0.008 7.724 1.00 18.55 N
806
+ ATOM 802 CA GLY A 104 9.575 1.433 7.464 1.00 18.16 C
807
+ ATOM 803 C GLY A 104 9.774 1.782 6.018 1.00 17.57 C
808
+ ATOM 804 O GLY A 104 9.855 0.933 5.136 1.00 19.46 O
809
+ ATOM 805 N GLN A 105 9.794 3.085 5.761 1.00 17.66 N
810
+ ATOM 806 CA GLN A 105 9.961 3.588 4.426 1.00 19.96 C
811
+ ATOM 807 C GLN A 105 11.414 3.759 4.001 1.00 16.92 C
812
+ ATOM 808 O GLN A 105 11.675 4.049 2.838 1.00 18.76 O
813
+ ATOM 809 CB GLN A 105 9.264 4.943 4.322 1.00 22.65 C
814
+ ATOM 810 CG GLN A 105 7.783 4.907 4.572 1.00 29.81 C
815
+ ATOM 811 CD GLN A 105 7.088 3.970 3.618 1.00 33.33 C
816
+ ATOM 812 OE1 GLN A 105 6.496 2.978 4.047 1.00 41.60 O
817
+ ATOM 813 NE2 GLN A 105 7.174 4.259 2.317 1.00 38.58 N
818
+ ATOM 814 N GLY A 106 12.330 3.623 4.958 1.00 14.29 N
819
+ ATOM 815 CA GLY A 106 13.738 3.805 4.665 1.00 15.04 C
820
+ ATOM 816 C GLY A 106 14.236 5.218 4.793 1.00 17.04 C
821
+ ATOM 817 O GLY A 106 13.443 6.166 4.926 1.00 18.13 O
822
+ ATOM 818 N THR A 107 15.542 5.321 4.766 1.00 13.41 N
823
+ ATOM 819 CA THR A 107 16.158 6.630 4.767 1.00 13.02 C
824
+ ATOM 820 C THR A 107 17.289 6.615 3.731 1.00 15.55 C
825
+ ATOM 821 O THR A 107 18.122 5.704 3.703 1.00 15.00 O
826
+ ATOM 822 CB THR A 107 16.646 7.010 6.162 1.00 13.89 C
827
+ ATOM 823 OG1 THR A 107 17.072 8.379 6.161 1.00 16.19 O
828
+ ATOM 824 CG2 THR A 107 17.789 6.107 6.575 1.00 15.91 C
829
+ ATOM 825 N THR A 108 17.327 7.647 2.888 1.00 15.27 N
830
+ ATOM 826 CA THR A 108 18.289 7.651 1.802 1.00 14.08 C
831
+ ATOM 827 C THR A 108 19.605 8.248 2.192 1.00 15.78 C
832
+ ATOM 828 O THR A 108 19.656 9.327 2.773 1.00 16.73 O
833
+ ATOM 829 CB THR A 108 17.709 8.452 0.637 1.00 16.00 C
834
+ ATOM 830 OG1 THR A 108 16.552 7.780 0.149 1.00 17.15 O
835
+ ATOM 831 CG2 THR A 108 18.689 8.526 -0.559 1.00 17.21 C
836
+ ATOM 832 N VAL A 109 20.685 7.585 1.801 1.00 15.22 N
837
+ ATOM 833 CA VAL A 109 22.048 8.064 2.000 1.00 15.25 C
838
+ ATOM 834 C VAL A 109 22.611 8.211 0.617 1.00 15.66 C
839
+ ATOM 835 O VAL A 109 22.658 7.249 -0.131 1.00 16.99 O
840
+ ATOM 836 CB VAL A 109 22.878 7.104 2.811 1.00 14.91 C
841
+ ATOM 837 CG1 VAL A 109 24.326 7.547 2.822 1.00 17.93 C
842
+ ATOM 838 CG2 VAL A 109 22.294 7.023 4.230 1.00 16.30 C
843
+ ATOM 839 N THR A 110 23.010 9.430 0.244 1.00 15.49 N
844
+ ATOM 840 CA THR A 110 23.607 9.624 -1.067 1.00 14.78 C
845
+ ATOM 841 C THR A 110 24.953 10.283 -0.897 1.00 15.87 C
846
+ ATOM 842 O THR A 110 25.085 11.340 -0.301 1.00 15.42 O
847
+ ATOM 843 CB THR A 110 22.675 10.505 -1.918 1.00 17.20 C
848
+ ATOM 844 OG1 THR A 110 21.485 9.741 -2.164 1.00 16.51 O
849
+ ATOM 845 CG2 THR A 110 23.324 10.847 -3.273 1.00 17.01 C
850
+ ATOM 846 N VAL A 111 25.983 9.610 -1.380 1.00 14.57 N
851
+ ATOM 847 CA VAL A 111 27.323 10.119 -1.323 1.00 15.57 C
852
+ ATOM 848 C VAL A 111 27.544 10.970 -2.573 1.00 15.42 C
853
+ ATOM 849 O VAL A 111 27.442 10.519 -3.709 1.00 17.22 O
854
+ ATOM 850 CB VAL A 111 28.311 8.938 -1.192 1.00 15.43 C
855
+ ATOM 851 CG1 VAL A 111 29.754 9.434 -1.234 1.00 17.45 C
856
+ ATOM 852 CG2 VAL A 111 28.051 8.203 0.080 1.00 17.24 C
857
+ ATOM 853 N SER A 112 27.856 12.247 -2.329 1.00 17.09 N
858
+ ATOM 854 CA SER A 112 27.898 13.198 -3.391 1.00 19.94 C
859
+ ATOM 855 C SER A 112 29.157 13.020 -4.223 1.00 22.56 C
860
+ ATOM 856 O SER A 112 30.167 12.478 -3.759 1.00 22.91 O
861
+ ATOM 857 CB SER A 112 27.859 14.570 -2.732 1.00 22.42 C
862
+ ATOM 858 OG ASER A 112 27.959 15.639 -3.668 0.50 30.90 O
863
+ ATOM 859 N SER A 113 29.101 13.478 -5.463 1.00 21.50 N
864
+ ATOM 860 CA SER A 113 30.268 13.401 -6.327 1.00 23.71 C
865
+ ATOM 861 C SER A 113 30.832 14.787 -6.547 1.00 23.60 C
866
+ ATOM 862 O SER A 113 31.962 14.955 -7.018 1.00 29.85 O
867
+ ATOM 863 CB SER A 113 29.881 12.800 -7.661 1.00 26.81 C
868
+ ATOM 864 OG SER A 113 29.331 11.505 -7.506 1.00 33.42 O
869
+ ATOM 865 OXT SER A 113 30.053 15.993 -6.086 1.00 28.85 O
870
+ HETATM 866 C1 PEG A 114 23.768 -12.949 9.423 1.00 45.69 C
871
+ HETATM 867 O1 PEG A 114 23.774 -12.997 10.751 1.00 39.45 O
872
+ HETATM 868 C2 PEG A 114 23.068 -11.949 8.423 1.00 45.69 C
873
+ HETATM 869 O2 PEG A 114 22.635 -12.853 7.414 1.00 46.22 O
874
+ HETATM 870 C3 PEG A 114 21.784 -12.293 6.412 1.00 44.52 C
875
+ HETATM 871 C4 PEG A 114 20.970 -13.461 5.867 1.00 44.55 C
876
+ HETATM 872 O4 PEG A 114 19.895 -13.028 5.047 1.00 45.07 O
877
+ HETATM 873 O HOH A 115 26.162 3.264 16.387 1.00 18.04 O
878
+ HETATM 874 O HOH A 116 24.385 -0.920 21.427 1.00 20.31 O
879
+ HETATM 875 O HOH A 117 32.546 2.713 -3.363 1.00 21.80 O
880
+ HETATM 876 O HOH A 118 16.330 -7.920 3.249 1.00 18.64 O
881
+ HETATM 877 O HOH A 119 11.925 -0.770 8.416 1.00 19.70 O
882
+ HETATM 878 O HOH A 120 31.557 -2.948 11.462 1.00 20.31 O
883
+ HETATM 879 O HOH A 121 34.302 -1.789 5.167 1.00 22.09 O
884
+ HETATM 880 O HOH A 122 15.545 -12.634 14.289 1.00 26.66 O
885
+ HETATM 881 O HOH A 123 34.214 9.343 8.330 1.00 22.53 O
886
+ HETATM 882 O HOH A 124 28.089 -2.784 12.915 1.00 17.94 O
887
+ HETATM 883 O HOH A 125 29.410 -11.097 17.508 0.50 20.81 O
888
+ HETATM 884 O HOH A 126 26.173 11.180 -5.963 1.00 23.53 O
889
+ HETATM 885 O HOH A 127 6.200 1.196 10.362 1.00 24.02 O
890
+ HETATM 886 O HOH A 128 17.956 -8.148 -3.831 1.00 22.00 O
891
+ HETATM 887 O HOH A 129 20.614 -0.275 25.079 1.00 27.23 O
892
+ HETATM 888 O HOH A 130 22.072 -2.557 -2.905 1.00 26.75 O
893
+ HETATM 889 O HOH A 131 31.691 4.141 14.741 1.00 23.10 O
894
+ HETATM 890 O HOH A 132 28.574 -4.535 -1.469 1.00 26.87 O
895
+ HETATM 891 O HOH A 133 18.670 -9.261 4.058 1.00 20.86 O
896
+ HETATM 892 O HOH A 134 15.254 10.282 6.183 1.00 25.77 O
897
+ HETATM 893 O HOH A 135 36.315 3.845 2.819 1.00 22.62 O
898
+ HETATM 894 O HOH A 136 15.555 8.044 -2.451 1.00 26.04 O
899
+ HETATM 895 O HOH A 137 22.777 -9.532 1.746 1.00 23.75 O
900
+ HETATM 896 O HOH A 138 29.276 -10.476 4.449 1.00 32.33 O
901
+ HETATM 897 O HOH A 139 35.651 6.675 1.463 1.00 28.33 O
902
+ HETATM 898 O HOH A 140 28.103 4.508 17.697 1.00 21.46 O
903
+ HETATM 899 O HOH A 141 25.423 -8.725 2.979 1.00 23.30 O
904
+ HETATM 900 O HOH A 142 18.755 -11.246 20.554 1.00 25.33 O
905
+ HETATM 901 O HOH A 143 13.503 7.588 13.077 1.00 26.88 O
906
+ HETATM 902 O HOH A 144 13.023 -12.104 9.518 1.00 30.67 O
907
+ HETATM 903 O HOH A 145 33.700 7.039 -3.006 1.00 26.86 O
908
+ HETATM 904 O HOH A 146 32.053 14.859 -3.444 1.00 33.37 O
909
+ HETATM 905 O HOH A 147 29.867 -5.642 13.882 1.00 28.72 O
910
+ HETATM 906 O HOH A 148 26.848 -1.383 19.692 1.00 26.42 O
911
+ HETATM 907 O HOH A 149 29.989 -0.596 0.524 1.00 26.34 O
912
+ HETATM 908 O HOH A 150 23.914 2.774 22.815 1.00 29.80 O
913
+ HETATM 909 O HOH A 151 24.114 -10.645 23.077 1.00 23.38 O
914
+ HETATM 910 O HOH A 152 20.387 -9.186 -2.923 1.00 26.36 O
915
+ HETATM 911 O HOH A 153 6.962 -7.056 26.848 1.00 22.16 O
916
+ HETATM 912 O HOH A 154 26.700 -3.325 21.039 1.00 25.61 O
917
+ HETATM 913 O HOH A 155 18.461 13.320 7.915 1.00 27.72 O
918
+ HETATM 914 O HOH A 156 20.218 -10.615 23.613 1.00 30.95 O
919
+ HETATM 915 O HOH A 157 24.479 4.207 20.328 1.00 26.26 O
920
+ HETATM 916 O HOH A 158 37.454 8.610 5.065 1.00 34.36 O
921
+ HETATM 917 O HOH A 159 18.886 6.234 27.027 1.00 35.80 O
922
+ HETATM 918 O HOH A 160 29.489 -8.156 2.059 1.00 34.79 O
923
+ HETATM 919 O HOH A 161 6.169 2.101 6.523 1.00 29.64 O
924
+ HETATM 920 O HOH A 162 10.342 -8.212 20.711 1.00 26.74 O
925
+ HETATM 921 O HOH A 163 22.704 11.725 10.259 1.00 29.25 O
926
+ HETATM 922 O HOH A 164 19.927 7.230 22.378 1.00 29.02 O
927
+ HETATM 923 O HOH A 165 1.507 -3.401 18.650 1.00 39.86 O
928
+ HETATM 924 O HOH A 166 24.957 0.534 -1.244 1.00 26.88 O
929
+ HETATM 925 O HOH A 167 36.005 3.773 9.767 1.00 38.48 O
930
+ HETATM 926 O HOH A 168 8.470 3.107 21.270 1.00 33.51 O
931
+ HETATM 927 O HOH A 169 27.290 -7.997 0.935 1.00 29.21 O
932
+ HETATM 928 O HOH A 170 10.833 4.742 19.353 1.00 34.45 O
933
+ HETATM 929 O HOH A 171 20.913 -4.141 27.064 1.00 29.02 O
934
+ HETATM 930 O HOH A 172 12.614 5.680 0.931 1.00 33.96 O
935
+ HETATM 931 O HOH A 173 35.668 13.905 0.000 0.50 33.60 O
936
+ HETATM 932 O HOH A 174 34.941 -3.933 3.598 1.00 33.71 O
937
+ HETATM 933 O HOH A 175 9.990 -1.327 23.155 1.00 34.73 O
938
+ HETATM 934 O HOH A 176 27.617 7.172 17.154 1.00 32.25 O
939
+ HETATM 935 O HOH A 177 12.022 -2.394 24.805 1.00 39.36 O
940
+ HETATM 936 O HOH A 178 32.965 0.855 12.266 1.00 30.63 O
941
+ HETATM 937 O HOH A 179 20.054 9.764 13.201 1.00 28.48 O
942
+ HETATM 938 O HOH A 180 31.753 -9.807 7.866 1.00 34.31 O
943
+ HETATM 939 O HOH A 181 1.860 -5.539 13.910 1.00 40.18 O
944
+ HETATM 940 O HOH A 182 38.243 3.733 6.494 1.00 40.32 O
945
+ HETATM 941 O HOH A 183 17.405 -18.461 13.110 1.00 35.66 O
946
+ HETATM 942 O HOH A 184 21.657 -2.349 -10.000 1.00 43.76 O
947
+ HETATM 943 O HOH A 185 24.532 -2.132 -2.000 1.00 42.86 O
948
+ HETATM 944 O HOH A 186 8.248 4.155 14.754 1.00 40.46 O
949
+ HETATM 945 O HOH A 187 28.329 11.253 12.322 1.00 38.91 O
950
+ HETATM 946 O HOH A 188 3.070 -8.047 14.039 1.00 43.19 O
951
+ HETATM 947 O HOH A 189 10.461 -9.247 28.676 1.00 42.91 O
952
+ HETATM 948 O HOH A 190 28.732 -2.367 16.308 1.00 25.50 O
953
+ HETATM 949 O HOH A 191 7.895 5.057 18.142 1.00 40.75 O
954
+ HETATM 950 O HOH A 192 7.046 4.471 8.661 1.00 42.84 O
955
+ HETATM 951 O HOH A 193 27.305 7.313 -4.938 1.00 35.00 O
956
+ HETATM 952 O HOH A 194 16.144 11.310 13.736 1.00 29.82 O
957
+ HETATM 953 O HOH A 195 10.802 2.427 0.589 1.00 34.43 O
958
+ HETATM 954 O HOH A 196 31.094 17.666 -4.088 1.00 44.53 O
959
+ HETATM 955 O HOH A 197 14.318 7.563 1.718 1.00 31.38 O
960
+ HETATM 956 O HOH A 198 3.986 -6.607 18.611 1.00 41.37 O
961
+ HETATM 957 O HOH A 199 12.946 -6.143 27.639 1.00 31.50 O
962
+ HETATM 958 O HOH A 200 18.777 9.535 22.853 1.00 41.43 O
963
+ HETATM 959 O HOH A 201 11.933 7.048 22.457 1.00 36.65 O
964
+ HETATM 960 O HOH A 202 9.955 -11.540 7.068 1.00 41.27 O
965
+ HETATM 961 O HOH A 203 29.661 9.293 -5.272 1.00 37.30 O
966
+ HETATM 962 O HOH A 204 29.613 15.301 4.114 1.00 42.44 O
967
+ HETATM 963 O HOH A 205 2.251 5.965 13.686 1.00 40.88 O
968
+ HETATM 964 O HOH A 206 23.108 -6.100 -6.104 1.00 33.13 O
969
+ HETATM 965 O HOH A 207 14.888 8.012 15.258 1.00 34.09 O
970
+ HETATM 966 O HOH A 208 3.727 -0.061 10.685 1.00 40.13 O
971
+ HETATM 967 O HOH A 209 25.658 2.879 -4.557 1.00 30.74 O
972
+ HETATM 968 O HOH A 210 26.484 0.603 -5.435 1.00 33.48 O
973
+ HETATM 969 O HOH A 211 28.254 -15.117 17.803 1.00 40.47 O
974
+ HETATM 970 O HOH A 212 26.684 -10.828 4.022 1.00 40.94 O
975
+ HETATM 971 O HOH A 213 35.040 13.864 3.763 1.00 43.95 O
976
+ HETATM 972 O HOH A 214 22.893 -9.199 -0.821 1.00 37.18 O
977
+ HETATM 973 O HOH A 215 24.942 1.610 -7.064 1.00 49.67 O
978
+ HETATM 974 O HOH A 216 14.953 -11.665 17.829 1.00 40.26 O
979
+ HETATM 975 O HOH A 217 23.088 7.381 20.783 1.00 48.13 O
980
+ HETATM 976 O HOH A 218 36.346 8.420 9.525 1.00 39.03 O
981
+ HETATM 977 O HOH A 219 14.168 -0.201 -1.887 1.00 44.72 O
982
+ HETATM 978 O HOH A 220 27.542 17.648 -1.390 1.00 43.37 O
983
+ HETATM 979 O HOH A 221 17.544 -4.181 -11.691 1.00 51.42 O
984
+ HETATM 980 O HOH A 222 5.868 3.795 10.706 1.00 33.82 O
985
+ HETATM 981 O HOH A 223 32.840 -3.311 -0.929 1.00 44.08 O
986
+ HETATM 982 O HOH A 224 22.775 -10.671 26.230 1.00 44.69 O
987
+ HETATM 983 O HOH A 225 7.277 -8.539 13.784 1.00 45.16 O
988
+ HETATM 984 O HOH A 226 37.861 7.590 7.523 1.00 42.65 O
989
+ HETATM 985 O HOH A 227 12.081 7.469 2.608 1.00 43.51 O
990
+ HETATM 986 O HOH A 228 26.982 -0.970 -3.227 1.00 38.91 O
991
+ HETATM 987 O HOH A 229 27.033 10.641 15.686 1.00 42.96 O
992
+ HETATM 988 O HOH A 230 23.941 -13.621 19.164 1.00 49.51 O
993
+ HETATM 989 O HOH A 231 12.302 -10.304 17.374 1.00 37.56 O
994
+ HETATM 990 O HOH A 232 27.191 17.490 2.088 1.00 49.40 O
995
+ HETATM 991 O HOH A 233 30.564 14.254 7.040 1.00 36.45 O
996
+ HETATM 992 O HOH A 234 3.217 1.418 17.095 1.00 52.10 O
997
+ HETATM 993 O HOH A 235 28.877 -2.078 -1.919 1.00 44.31 O
998
+ HETATM 994 O HOH A 236 32.279 -7.341 0.168 1.00 45.31 O
999
+ HETATM 995 O HOH A 237 25.056 12.330 14.309 1.00 48.32 O
1000
+ HETATM 996 O HOH A 238 22.971 15.264 5.336 1.00 43.63 O
1001
+ HETATM 997 O HOH A 239 37.463 11.515 5.938 1.00 42.21 O
1002
+ HETATM 998 O HOH A 240 24.555 -14.420 12.969 1.00 48.31 O
1003
+ HETATM 999 O HOH A 241 14.884 7.231 17.479 1.00 39.06 O
1004
+ HETATM 1000 O HOH A 242 19.039 0.740 27.570 1.00 46.17 O
1005
+ HETATM 1001 O HOH A 243 27.676 17.833 -4.725 1.00 43.30 O
1006
+ HETATM 1002 O HOH A 244 17.592 -7.855 25.781 1.00 49.39 O
1007
+ HETATM 1003 O HOH A 245 0.991 -2.882 12.588 1.00 50.45 O
1008
+ HETATM 1004 O HOH A 246 35.868 5.349 12.503 1.00 60.15 O
1009
+ HETATM 1005 O HOH A 247 18.264 -4.734 27.472 1.00 51.05 O
1010
+ HETATM 1006 O HOH A 248 20.705 3.352 -7.426 1.00 51.00 O
1011
+ HETATM 1007 O HOH A 249 32.292 13.511 9.034 1.00 48.87 O
1012
+ HETATM 1008 O HOH A 250 16.660 -3.288 -7.294 1.00 53.94 O
1013
+ HETATM 1009 O HOH A 251 16.316 -0.310 28.663 1.00 50.08 O
1014
+ HETATM 1010 O HOH A 252 11.755 -10.371 20.395 1.00 52.24 O
1015
+ HETATM 1011 O HOH A 253 13.247 -0.630 26.479 1.00 63.39 O
sabdab_dataset/1u0q/annotation/1u0q_A_VH.ann ADDED
@@ -0,0 +1,125 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ H1 E
2
+ H2 V
3
+ H3 Q
4
+ H4 L
5
+ H5 Q
6
+ H6 E
7
+ H7 S
8
+ H8 G
9
+ H9 G
10
+ H10 G
11
+ H11 L
12
+ H12 V
13
+ H13 Q
14
+ H14 A
15
+ H15 G
16
+ H16 G
17
+ H17 S
18
+ H18 L
19
+ H19 R
20
+ H20 L
21
+ H21 S
22
+ H22 C
23
+ H23 A
24
+ H24 A
25
+ H25 S
26
+ H26 G
27
+ H27 R
28
+ H28 T
29
+ H29 F
30
+ H30 S
31
+ H31 T
32
+ H32 Y
33
+ H33 A
34
+ H34 V
35
+ H35 G
36
+ H36 W
37
+ H37 F
38
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39
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40
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41
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42
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43
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44
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45
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46
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47
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48
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49
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50
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51
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52
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53
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54
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55
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56
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57
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58
+ H57 T
59
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60
+ H59 Y
61
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62
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63
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64
+ H63 V
65
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66
+ H65 G
67
+ H66 R
68
+ H67 F
69
+ H68 T
70
+ H69 I
71
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72
+ H71 I
73
+ H72 D
74
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75
+ H74 A
76
+ H75 K
77
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78
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79
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80
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81
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82
+ H81 Q
83
+ H82 M
84
+ H82A N
85
+ H82B S
86
+ H82C L
87
+ H83 K
88
+ H84 L
89
+ H85 D
90
+ H86 D
91
+ H87 T
92
+ H88 A
93
+ H89 V
94
+ H90 Y
95
+ H91 Y
96
+ H92 C
97
+ H93 A
98
+ H94 V
99
+ H95 R
100
+ H96 M
101
+ H97 P
102
+ H98 Y
103
+ H99 S
104
+ H100 G
105
+ H100A D
106
+ H100B Y
107
+ H100C R
108
+ H100D S
109
+ H100E S
110
+ H100F G
111
+ H100G T
112
+ H100H Y
113
+ H101 D
114
+ H102 Y
115
+ H103 W
116
+ H104 G
117
+ H105 Q
118
+ H106 G
119
+ H107 T
120
+ H108 Q
121
+ H109 V
122
+ H110 T
123
+ H111 V
124
+ H112 S
125
+ H113 S
sabdab_dataset/1u0q/annotation/1u0q_B_VH.ann ADDED
@@ -0,0 +1,125 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ H1 E
2
+ H2 V
3
+ H3 Q
4
+ H4 L
5
+ H5 Q
6
+ H6 E
7
+ H7 S
8
+ H8 G
9
+ H9 G
10
+ H10 G
11
+ H11 L
12
+ H12 V
13
+ H13 Q
14
+ H14 A
15
+ H15 G
16
+ H16 G
17
+ H17 S
18
+ H18 L
19
+ H19 R
20
+ H20 L
21
+ H21 S
22
+ H22 C
23
+ H23 A
24
+ H24 A
25
+ H25 S
26
+ H26 G
27
+ H27 R
28
+ H28 T
29
+ H29 F
30
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31
+ H31 T
32
+ H32 Y
33
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34
+ H34 V
35
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36
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37
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38
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39
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40
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41
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42
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43
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44
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45
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46
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47
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48
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49
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50
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51
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52
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53
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54
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55
+ H54 G
56
+ H55 G
57
+ H56 R
58
+ H57 T
59
+ H58 Y
60
+ H59 Y
61
+ H60 A
62
+ H61 D
63
+ H62 S
64
+ H63 V
65
+ H64 K
66
+ H65 G
67
+ H66 R
68
+ H67 F
69
+ H68 T
70
+ H69 I
71
+ H70 A
72
+ H71 I
73
+ H72 D
74
+ H73 N
75
+ H74 A
76
+ H75 K
77
+ H76 N
78
+ H77 T
79
+ H78 V
80
+ H79 Y
81
+ H80 L
82
+ H81 Q
83
+ H82 M
84
+ H82A N
85
+ H82B S
86
+ H82C L
87
+ H83 K
88
+ H84 L
89
+ H85 D
90
+ H86 D
91
+ H87 T
92
+ H88 A
93
+ H89 V
94
+ H90 Y
95
+ H91 Y
96
+ H92 C
97
+ H93 A
98
+ H94 V
99
+ H95 R
100
+ H96 M
101
+ H97 P
102
+ H98 Y
103
+ H99 S
104
+ H100 G
105
+ H100A D
106
+ H100B Y
107
+ H100C R
108
+ H100D S
109
+ H100E S
110
+ H100F G
111
+ H100G T
112
+ H100H Y
113
+ H101 D
114
+ H102 Y
115
+ H103 W
116
+ H104 G
117
+ H105 Q
118
+ H106 G
119
+ H107 T
120
+ H108 Q
121
+ H109 V
122
+ H110 T
123
+ H111 V
124
+ H112 S
125
+ H113 S
sabdab_dataset/1u0q/imgt/1u0q_A_H.ann ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
2
+ J Lama_glama IGHJ4*01 IG IGHJ IGHJ4 IGHJ4 NA True
3
+ V Lama_glama IGHV1S1*01 IG IGHV IGHV1 IGHV1S1 NA True
sabdab_dataset/1u0q/imgt/1u0q_B_H.ann ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
2
+ J Lama_glama IGHJ4*01 IG IGHJ IGHJ4 IGHJ4 NA True
3
+ V Lama_glama IGHV1S1*01 IG IGHV IGHV1 IGHV1S1 NA True
sabdab_dataset/1u0q/sequence/1u0q_A_VH.fa ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ >1u0q_A|seqres|full
2
+ EVQLQESGGGLVQAGGSLRLSCAASGRTFSTYAVGWFRQAPGKEREFVGYFGTRGGRTYYADSVKGRFTIAIDNAKNTVYLQMNSLKLDDTAVYYCAVRMPYSGDYRSSGTYDYWGQGTQVTVSS
3
+ >1u0q_A|seqres|region: H
4
+ EVQLQESGGGLVQAGGSLRLSCAASGRTFSTYAVGWFRQAPGKEREFVGYFGTRGGRTYYADSVKGRFTIAIDNAKNTVYLQMNSLKLDDTAVYYCAVRMPYSGDYRSSGTYDYWGQGTQVTVSS
5
+ >1u0q_A|structure|full
6
+ -VQLQESGGGLVQAGGSLRLSCAASGRTFSTYAVGWFRQAPGKEREFVGYFGTRGGRTYYADSVKGRFTIAIDNAKNTVYLQMNSLKLDDTAVYYCAVRMPYSGDYRSSGTYDYWGQGTQVTVSS
sabdab_dataset/1u0q/sequence/1u0q_B_VH.fa ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ >1u0q_B|seqres|full
2
+ EVQLQESGGGLVQAGGSLRLSCAASGRTFSTYAVGWFRQAPGKEREFVGYFGTRGGRTYYADSVKGRFTIAIDNAKNTVYLQMNSLKLDDTAVYYCAVRMPYSGDYRSSGTYDYWGQGTQVTVSS
3
+ >1u0q_B|seqres|region: H
4
+ EVQLQESGGGLVQAGGSLRLSCAASGRTFSTYAVGWFRQAPGKEREFVGYFGTRGGRTYYADSVKGRFTIAIDNAKNTVYLQMNSLKLDDTAVYYCAVRMPYSGDYRSSGTYDYWGQGTQVTVSS
5
+ >1u0q_B|structure|full
6
+ -VQLQESGGGLVQAGGSLRLSCAASGRTFSTYAVGWFRQAPGKEREFVGYFGTRGGRTYYADSVKGRFTIAIDNAKNTVYLQMNSLKLDDTAVYYCAVRMPYSGDYRSSGTYDYWGQGTQVTVSS
sabdab_dataset/1u0q/sequence/1u0q_raw.pdb ADDED
@@ -0,0 +1,4 @@
 
 
 
 
 
1
+ >1u0q_A|type: H
2
+ EVQLQESGGGLVQAGGSLRLSCAASGRTFSTYAVGWFRQAPGKEREFVGYFGTRGGRTYYADSVKGRFTIAIDNAKNTVYLQMNSLKLDDTAVYYCAVRMPYSGDYRSSGTYDYWGQGTQVTVSS
3
+ >1u0q_B|type: H
4
+ EVQLQESGGGLVQAGGSLRLSCAASGRTFSTYAVGWFRQAPGKEREFVGYFGTRGGRTYYADSVKGRFTIAIDNAKNTVYLQMNSLKLDDTAVYYCAVRMPYSGDYRSSGTYDYWGQGTQVTVSS
sabdab_dataset/1u0q/structure/1u0q.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_dataset/1u0q/structure/chothia/1u0q.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_dataset/2ywz/sequence/2ywz_A_VH.fa ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ >2ywz_A|seqres|full
2
+ AWVDQTPRTITKETGESLTIKCVLKDHSCGLSSTTWYRTQLGSTNEKTISIGGRYDETVDKGSKSFSLRISDLRVEDSGTYKCQADYSPSCYSYPSLESAVEGAGTVLTVK
3
+ >2ywz_A|seqres|region: H
4
+ AWVDQTPRTITKETGESLTIKCVLKDHSCGLSSTTWYRTQLGSTNEKTISIGGRYDETVDKGSKSFSLRISDLRVEDSGTYKCQADYSPSCYSYPSLESAVEGAGTVLTVK
5
+ >2ywz_A|structure|full
6
+ AWVDQTPRTITKETGESLTIKCVLKDHSCGLSSTTWYRTQLGSTNEKTISIGGRYDETVDKGSKSFSLRISDLRVEDSGTYKCQADYSPSCYSYPSLESAVEGAGTVLTVK
sabdab_dataset/2ywz/sequence/2ywz_raw.pdb ADDED
@@ -0,0 +1,2 @@
 
 
 
1
+ >2ywz_A|type: H
2
+ AWVDQTPRTITKETGESLTIKCVLKDHSCGLSSTTWYRTQLGSTNEKTISIGGRYDETVDKGSKSFSLRISDLRVEDSGTYKCQADYSPSCYSYPSLESAVEGAGTVLTVK
sabdab_dataset/2ywz/structure/2ywz.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_dataset/2ywz/structure/chothia/2ywz.pdb ADDED
@@ -0,0 +1,973 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 5 CHOTHIA RENUMBERED STRUCTURE 2YWZ GENERATED BY SABDAB
2
+ REMARK 5 ANTIBODY CHAINS ARE RENUMBERED IN THE VARIABLE REGIONS ONLY
3
+ REMARK 5 NON ANTIBODY CHAINS ARE LEFT WITH RESIDUE IDS AS IN PDB
4
+ REMARK 5 SINGLE HCHAIN=A AGCHAIN=NONE AGTYPE=NONE
5
+ ATOM 1 N ALA A 2 17.595 10.412 -15.098 1.00 33.27 N
6
+ ATOM 2 CA ALA A 2 17.336 9.225 -14.248 1.00 32.80 C
7
+ ATOM 3 C ALA A 2 17.309 9.632 -12.804 1.00 32.91 C
8
+ ATOM 4 O ALA A 2 18.032 10.546 -12.398 1.00 33.11 O
9
+ ATOM 5 CB ALA A 2 18.393 8.180 -14.459 1.00 32.95 C
10
+ ATOM 6 N TRP A 3 16.463 8.942 -12.040 1.00 32.81 N
11
+ ATOM 7 CA TRP A 3 16.369 9.087 -10.593 1.00 32.57 C
12
+ ATOM 8 C TRP A 3 15.708 7.826 -10.062 1.00 33.43 C
13
+ ATOM 9 O TRP A 3 15.082 7.058 -10.829 1.00 32.94 O
14
+ ATOM 10 CB TRP A 3 15.573 10.342 -10.185 1.00 31.69 C
15
+ ATOM 11 CG TRP A 3 14.166 10.390 -10.690 1.00 30.29 C
16
+ ATOM 12 CD1 TRP A 3 13.760 10.655 -11.971 1.00 30.74 C
17
+ ATOM 13 CD2 TRP A 3 12.962 10.192 -9.921 1.00 30.86 C
18
+ ATOM 14 NE1 TRP A 3 12.383 10.613 -12.054 1.00 30.27 N
19
+ ATOM 15 CE2 TRP A 3 11.868 10.332 -10.813 1.00 30.01 C
20
+ ATOM 16 CE3 TRP A 3 12.703 9.899 -8.569 1.00 29.10 C
21
+ ATOM 17 CZ2 TRP A 3 10.535 10.191 -10.394 1.00 30.84 C
22
+ ATOM 18 CZ3 TRP A 3 11.388 9.757 -8.155 1.00 30.17 C
23
+ ATOM 19 CH2 TRP A 3 10.314 9.900 -9.066 1.00 29.85 C
24
+ ATOM 20 N VAL A 4 15.835 7.630 -8.752 1.00 33.84 N
25
+ ATOM 21 CA VAL A 4 15.254 6.474 -8.080 1.00 34.69 C
26
+ ATOM 22 C VAL A 4 14.159 6.942 -7.144 1.00 35.29 C
27
+ ATOM 23 O VAL A 4 14.373 7.867 -6.352 1.00 36.00 O
28
+ ATOM 24 CB VAL A 4 16.335 5.647 -7.305 1.00 34.58 C
29
+ ATOM 25 CG1 VAL A 4 15.712 4.491 -6.542 1.00 34.07 C
30
+ ATOM 26 CG2 VAL A 4 17.375 5.104 -8.268 1.00 35.01 C
31
+ ATOM 27 N ASP A 5 12.985 6.317 -7.261 1.00 35.75 N
32
+ ATOM 28 CA ASP A 5 11.877 6.546 -6.333 1.00 35.66 C
33
+ ATOM 29 C ASP A 5 11.892 5.469 -5.244 1.00 35.51 C
34
+ ATOM 30 O ASP A 5 11.732 4.281 -5.534 1.00 35.11 O
35
+ ATOM 31 CB ASP A 5 10.524 6.568 -7.061 1.00 35.74 C
36
+ ATOM 32 CG ASP A 5 9.408 7.199 -6.215 1.00 36.97 C
37
+ ATOM 33 OD1 ASP A 5 8.227 7.077 -6.602 1.00 39.53 O
38
+ ATOM 34 OD2 ASP A 5 9.703 7.826 -5.172 1.00 36.88 O
39
+ ATOM 35 N GLN A 6 12.117 5.911 -4.003 1.00 34.94 N
40
+ ATOM 36 CA GLN A 6 12.229 5.035 -2.845 1.00 34.56 C
41
+ ATOM 37 C GLN A 6 11.014 5.223 -1.949 1.00 34.53 C
42
+ ATOM 38 O GLN A 6 10.682 6.350 -1.585 1.00 34.37 O
43
+ ATOM 39 CB GLN A 6 13.528 5.320 -2.065 1.00 34.06 C
44
+ ATOM 40 CG GLN A 6 13.735 4.398 -0.885 1.00 34.12 C
45
+ ATOM 41 CD GLN A 6 15.133 4.486 -0.234 1.00 34.90 C
46
+ ATOM 42 OE1 GLN A 6 16.049 5.144 -0.740 1.00 32.33 O
47
+ ATOM 43 NE2 GLN A 6 15.288 3.800 0.907 1.00 33.80 N
48
+ ATOM 44 N THR A 6A 10.341 4.117 -1.629 1.00 34.52 N
49
+ ATOM 45 CA THR A 6A 9.182 4.123 -0.761 1.00 34.95 C
50
+ ATOM 46 C THR A 6A 9.256 2.935 0.198 1.00 34.53 C
51
+ ATOM 47 O THR A 6A 9.804 1.903 -0.160 1.00 34.57 O
52
+ ATOM 48 CB THR A 6A 7.819 4.049 -1.557 1.00 35.55 C
53
+ ATOM 49 OG1 THR A 6A 7.757 2.833 -2.332 1.00 37.54 O
54
+ ATOM 50 CG2 THR A 6A 7.620 5.279 -2.469 1.00 35.21 C
55
+ ATOM 51 N PRO A 7 8.743 3.091 1.434 1.00 34.37 N
56
+ ATOM 52 CA PRO A 7 8.286 4.339 2.069 1.00 34.43 C
57
+ ATOM 53 C PRO A 7 9.469 5.210 2.499 1.00 35.43 C
58
+ ATOM 54 O PRO A 7 10.571 4.697 2.692 1.00 35.34 O
59
+ ATOM 55 CB PRO A 7 7.536 3.833 3.305 1.00 34.39 C
60
+ ATOM 56 CG PRO A 7 8.218 2.541 3.641 1.00 33.72 C
61
+ ATOM 57 CD PRO A 7 8.557 1.927 2.317 1.00 34.20 C
62
+ ATOM 58 N ARG A 8 9.244 6.513 2.637 1.00 36.04 N
63
+ ATOM 59 CA ARG A 8 10.284 7.413 3.092 1.00 36.91 C
64
+ ATOM 60 C ARG A 8 10.387 7.438 4.619 1.00 37.04 C
65
+ ATOM 61 O ARG A 8 11.471 7.550 5.156 1.00 36.73 O
66
+ ATOM 62 CB ARG A 8 10.113 8.821 2.498 1.00 37.46 C
67
+ ATOM 63 CG ARG A 8 11.194 9.156 1.453 1.00 39.14 C
68
+ ATOM 64 CD ARG A 8 10.779 9.004 -0.004 1.00 39.26 C
69
+ ATOM 65 NE ARG A 8 10.799 10.325 -0.613 1.00 43.52 N
70
+ ATOM 66 CZ ARG A 8 10.748 10.607 -1.909 1.00 42.89 C
71
+ ATOM 67 NH1 ARG A 8 10.645 9.664 -2.842 1.00 41.17 N
72
+ ATOM 68 NH2 ARG A 8 10.797 11.878 -2.262 1.00 46.11 N
73
+ ATOM 69 N THR A 9 9.261 7.287 5.312 1.00 37.63 N
74
+ ATOM 70 CA THR A 9 9.266 7.203 6.773 1.00 37.45 C
75
+ ATOM 71 C THR A 9 8.343 6.086 7.223 1.00 37.67 C
76
+ ATOM 72 O THR A 9 7.209 5.955 6.728 1.00 37.70 O
77
+ ATOM 73 CB THR A 9 8.857 8.566 7.454 1.00 37.88 C
78
+ ATOM 74 OG1 THR A 9 9.705 9.626 6.987 1.00 36.03 O
79
+ ATOM 75 CG2 THR A 9 8.976 8.472 8.967 1.00 38.19 C
80
+ ATOM 76 N ILE A 10 8.825 5.270 8.157 1.00 37.54 N
81
+ ATOM 77 CA ILE A 10 8.000 4.201 8.701 1.00 37.01 C
82
+ ATOM 78 C ILE A 10 8.413 3.765 10.098 1.00 37.27 C
83
+ ATOM 79 O ILE A 10 9.589 3.785 10.451 1.00 37.18 O
84
+ ATOM 80 CB ILE A 10 7.932 2.989 7.737 1.00 37.36 C
85
+ ATOM 81 CG1 ILE A 10 6.807 2.024 8.156 1.00 37.20 C
86
+ ATOM 82 CG2 ILE A 10 9.292 2.304 7.598 1.00 36.73 C
87
+ ATOM 83 CD1 ILE A 10 6.247 1.225 7.030 1.00 36.60 C
88
+ ATOM 84 N THR A 11 7.433 3.401 10.913 1.00 37.83 N
89
+ ATOM 85 CA THR A 11 7.745 2.772 12.192 1.00 38.21 C
90
+ ATOM 86 C THR A 11 7.174 1.377 12.248 1.00 37.89 C
91
+ ATOM 87 O THR A 11 6.080 1.125 11.760 1.00 37.98 O
92
+ ATOM 88 CB THR A 11 7.418 3.648 13.438 1.00 38.38 C
93
+ ATOM 89 OG1 THR A 11 6.690 2.882 14.415 1.00 40.75 O
94
+ ATOM 90 CG2 THR A 11 6.652 4.870 13.074 1.00 38.40 C
95
+ ATOM 91 N LYS A 12 7.969 0.465 12.787 1.00 37.68 N
96
+ ATOM 92 CA LYS A 12 7.629 -0.941 12.842 1.00 38.07 C
97
+ ATOM 93 C LYS A 12 7.827 -1.464 14.256 1.00 38.27 C
98
+ ATOM 94 O LYS A 12 8.601 -0.897 15.035 1.00 37.75 O
99
+ ATOM 95 CB LYS A 12 8.536 -1.729 11.890 1.00 38.60 C
100
+ ATOM 96 CG LYS A 12 8.283 -1.485 10.396 1.00 39.28 C
101
+ ATOM 97 CD LYS A 12 7.209 -2.433 9.875 1.00 41.24 C
102
+ ATOM 98 CE LYS A 12 6.691 -1.993 8.517 1.00 40.69 C
103
+ ATOM 99 NZ LYS A 12 5.649 -2.950 8.073 1.00 41.23 N
104
+ ATOM 100 N GLU A 13 7.150 -2.559 14.584 1.00 38.26 N
105
+ ATOM 101 CA GLU A 13 7.406 -3.241 15.852 1.00 39.28 C
106
+ ATOM 102 C GLU A 13 8.406 -4.377 15.680 1.00 38.65 C
107
+ ATOM 103 O GLU A 13 8.556 -4.898 14.580 1.00 38.33 O
108
+ ATOM 104 CB GLU A 13 6.104 -3.748 16.468 1.00 39.49 C
109
+ ATOM 105 CG GLU A 13 5.047 -2.662 16.535 1.00 44.41 C
110
+ ATOM 106 CD GLU A 13 4.036 -2.857 17.658 1.00 50.16 C
111
+ ATOM 107 OE1 GLU A 13 3.365 -1.856 18.016 1.00 51.60 O
112
+ ATOM 108 OE2 GLU A 13 3.913 -3.996 18.178 1.00 53.12 O
113
+ ATOM 109 N THR A 14 9.082 -4.760 16.766 1.00 38.55 N
114
+ ATOM 110 CA THR A 14 10.042 -5.867 16.713 1.00 38.82 C
115
+ ATOM 111 C THR A 14 9.331 -7.134 16.263 1.00 38.67 C
116
+ ATOM 112 O THR A 14 8.171 -7.350 16.594 1.00 38.56 O
117
+ ATOM 113 CB THR A 14 10.752 -6.135 18.062 1.00 38.82 C
118
+ ATOM 114 OG1 THR A 14 9.774 -6.280 19.090 1.00 38.91 O
119
+ ATOM 115 CG2 THR A 14 11.688 -4.999 18.428 1.00 38.71 C
120
+ ATOM 116 N GLY A 15 10.026 -7.951 15.482 1.00 38.96 N
121
+ ATOM 117 CA GLY A 15 9.448 -9.153 14.898 1.00 38.53 C
122
+ ATOM 118 C GLY A 15 8.664 -8.975 13.609 1.00 38.30 C
123
+ ATOM 119 O GLY A 15 8.384 -9.964 12.936 1.00 38.81 O
124
+ ATOM 120 N GLU A 16 8.295 -7.740 13.268 1.00 38.13 N
125
+ ATOM 121 CA GLU A 16 7.631 -7.438 11.981 1.00 38.23 C
126
+ ATOM 122 C GLU A 16 8.654 -7.470 10.833 1.00 37.67 C
127
+ ATOM 123 O GLU A 16 9.856 -7.599 11.080 1.00 37.69 O
128
+ ATOM 124 CB GLU A 16 6.934 -6.066 12.030 1.00 38.19 C
129
+ ATOM 125 CG GLU A 16 5.670 -5.980 12.903 1.00 39.71 C
130
+ ATOM 126 CD GLU A 16 4.865 -4.685 12.691 1.00 40.25 C
131
+ ATOM 127 OE1 GLU A 16 3.731 -4.754 12.143 1.00 44.49 O
132
+ ATOM 128 OE2 GLU A 16 5.348 -3.595 13.063 1.00 40.08 O
133
+ ATOM 129 N SER A 17 8.183 -7.385 9.588 1.00 37.02 N
134
+ ATOM 130 CA SER A 17 9.070 -7.263 8.420 1.00 36.93 C
135
+ ATOM 131 C SER A 17 8.919 -5.899 7.753 1.00 36.15 C
136
+ ATOM 132 O SER A 17 7.868 -5.259 7.879 1.00 36.36 O
137
+ ATOM 133 CB SER A 17 8.754 -8.349 7.380 1.00 37.33 C
138
+ ATOM 134 OG SER A 17 9.099 -9.644 7.850 1.00 39.44 O
139
+ ATOM 135 N LEU A 18 9.959 -5.469 7.038 1.00 35.19 N
140
+ ATOM 136 CA LEU A 18 9.896 -4.273 6.188 1.00 34.68 C
141
+ ATOM 137 C LEU A 18 10.280 -4.634 4.755 1.00 34.79 C
142
+ ATOM 138 O LEU A 18 11.276 -5.338 4.527 1.00 34.12 O
143
+ ATOM 139 CB LEU A 18 10.888 -3.206 6.667 1.00 34.30 C
144
+ ATOM 140 CG LEU A 18 10.703 -1.682 6.511 1.00 35.38 C
145
+ ATOM 141 CD1 LEU A 18 12.054 -0.995 6.311 1.00 34.70 C
146
+ ATOM 142 CD2 LEU A 18 9.713 -1.206 5.438 1.00 35.52 C
147
+ ATOM 143 N THR A 19 9.503 -4.135 3.793 1.00 34.32 N
148
+ ATOM 144 CA THR A 19 9.931 -4.124 2.401 1.00 34.40 C
149
+ ATOM 145 C THR A 19 10.109 -2.680 1.959 1.00 34.02 C
150
+ ATOM 146 O THR A 19 9.194 -1.869 2.109 1.00 33.68 O
151
+ ATOM 147 CB THR A 19 8.923 -4.814 1.467 1.00 34.61 C
152
+ ATOM 148 OG1 THR A 19 8.619 -6.108 1.987 1.00 35.72 O
153
+ ATOM 149 CG2 THR A 19 9.513 -4.981 0.076 1.00 33.87 C
154
+ ATOM 150 N ILE A 20 11.294 -2.360 1.451 1.00 33.40 N
155
+ ATOM 151 CA ILE A 20 11.526 -1.066 0.813 1.00 34.05 C
156
+ ATOM 152 C ILE A 20 11.579 -1.254 -0.693 1.00 34.03 C
157
+ ATOM 153 O ILE A 20 12.239 -2.176 -1.166 1.00 34.09 O
158
+ ATOM 154 CB ILE A 20 12.828 -0.390 1.301 1.00 33.56 C
159
+ ATOM 155 CG1 ILE A 20 12.787 -0.186 2.823 1.00 34.52 C
160
+ ATOM 156 CG2 ILE A 20 13.016 0.954 0.591 1.00 34.00 C
161
+ ATOM 157 CD1 ILE A 20 14.152 0.112 3.463 1.00 34.04 C
162
+ ATOM 158 N LYS A 21 10.879 -0.392 -1.438 1.00 34.84 N
163
+ ATOM 159 CA LYS A 21 10.858 -0.464 -2.914 1.00 35.63 C
164
+ ATOM 160 C LYS A 21 11.563 0.728 -3.532 1.00 35.81 C
165
+ ATOM 161 O LYS A 21 11.318 1.874 -3.153 1.00 35.57 O
166
+ ATOM 162 CB LYS A 21 9.428 -0.516 -3.448 1.00 36.15 C
167
+ ATOM 163 CG LYS A 21 9.334 -0.816 -4.935 1.00 38.45 C
168
+ ATOM 164 CD LYS A 21 8.246 0.012 -5.608 1.00 43.03 C
169
+ ATOM 165 CE LYS A 21 6.925 -0.725 -5.738 1.00 45.58 C
170
+ ATOM 166 NZ LYS A 21 5.794 0.251 -5.905 1.00 47.63 N
171
+ ATOM 167 N CYS A 22 12.458 0.441 -4.468 1.00 36.00 N
172
+ ATOM 168 CA CYS A 22 13.090 1.455 -5.274 1.00 36.33 C
173
+ ATOM 169 C CYS A 22 12.774 1.177 -6.732 1.00 36.29 C
174
+ ATOM 170 O CYS A 22 12.848 0.038 -7.185 1.00 36.45 O
175
+ ATOM 171 CB CYS A 22 14.595 1.486 -5.014 1.00 36.24 C
176
+ ATOM 172 SG CYS A 22 14.990 2.107 -3.339 1.00 39.64 S
177
+ ATOM 173 N VAL A 23 12.370 2.209 -7.457 1.00 36.16 N
178
+ ATOM 174 CA VAL A 23 12.152 2.067 -8.893 1.00 36.02 C
179
+ ATOM 175 C VAL A 23 12.937 3.141 -9.670 1.00 36.57 C
180
+ ATOM 176 O VAL A 23 12.932 4.332 -9.302 1.00 36.19 O
181
+ ATOM 177 CB VAL A 23 10.609 1.875 -9.277 1.00 36.06 C
182
+ ATOM 178 CG1 VAL A 23 9.680 2.252 -8.149 1.00 35.50 C
183
+ ATOM 179 CG2 VAL A 23 10.213 2.549 -10.622 1.00 35.23 C
184
+ ATOM 180 N LEU A 24 13.679 2.696 -10.682 1.00 37.13 N
185
+ ATOM 181 CA LEU A 24 14.468 3.590 -11.513 1.00 38.24 C
186
+ ATOM 182 C LEU A 24 13.533 4.279 -12.504 1.00 39.09 C
187
+ ATOM 183 O LEU A 24 12.801 3.622 -13.232 1.00 39.59 O
188
+ ATOM 184 CB LEU A 24 15.594 2.842 -12.239 1.00 38.14 C
189
+ ATOM 185 CG LEU A 24 16.451 3.639 -13.248 1.00 38.01 C
190
+ ATOM 186 CD1 LEU A 24 17.442 4.562 -12.572 1.00 38.78 C
191
+ ATOM 187 CD2 LEU A 24 17.162 2.711 -14.212 1.00 37.99 C
192
+ ATOM 188 N LYS A 25 13.572 5.602 -12.509 1.00 40.15 N
193
+ ATOM 189 CA LYS A 25 12.618 6.411 -13.242 1.00 41.90 C
194
+ ATOM 190 C LYS A 25 13.343 7.307 -14.257 1.00 42.55 C
195
+ ATOM 191 O LYS A 25 14.488 7.710 -14.029 1.00 41.76 O
196
+ ATOM 192 CB LYS A 25 11.801 7.263 -12.253 1.00 42.69 C
197
+ ATOM 193 CG LYS A 25 10.869 6.477 -11.286 1.00 42.67 C
198
+ ATOM 194 CD LYS A 25 9.464 6.397 -11.868 1.00 46.10 C
199
+ ATOM 195 CE LYS A 25 8.409 5.911 -10.875 1.00 47.82 C
200
+ ATOM 196 NZ LYS A 25 7.836 6.997 -9.986 1.00 52.62 N
201
+ ATOM 197 N ASP A 26 12.660 7.603 -15.367 1.00 43.69 N
202
+ ATOM 198 CA ASP A 26 13.154 8.495 -16.433 1.00 44.95 C
203
+ ATOM 199 C ASP A 26 14.483 8.043 -17.052 1.00 45.45 C
204
+ ATOM 200 O ASP A 26 15.408 8.847 -17.258 1.00 45.79 O
205
+ ATOM 201 CB ASP A 26 13.208 9.964 -15.968 1.00 45.43 C
206
+ ATOM 202 CG ASP A 26 11.815 10.562 -15.712 1.00 47.20 C
207
+ ATOM 203 OD1 ASP A 26 11.551 11.004 -14.580 1.00 48.69 O
208
+ ATOM 204 OD2 ASP A 26 10.980 10.601 -16.640 1.00 49.75 O
209
+ ATOM 205 N HIS A 27 14.578 6.749 -17.345 1.00 46.04 N
210
+ ATOM 206 CA HIS A 27 15.758 6.222 -18.019 1.00 46.66 C
211
+ ATOM 207 C HIS A 27 15.376 5.203 -19.093 1.00 47.54 C
212
+ ATOM 208 O HIS A 27 14.507 4.376 -18.876 1.00 47.65 O
213
+ ATOM 209 CB HIS A 27 16.748 5.629 -17.012 1.00 46.28 C
214
+ ATOM 210 CG HIS A 27 18.034 5.177 -17.629 1.00 45.51 C
215
+ ATOM 211 ND1 HIS A 27 18.873 6.033 -18.314 1.00 45.51 N
216
+ ATOM 212 CD2 HIS A 27 18.616 3.957 -17.681 1.00 44.19 C
217
+ ATOM 213 CE1 HIS A 27 19.922 5.359 -18.752 1.00 45.15 C
218
+ ATOM 214 NE2 HIS A 27 19.791 4.098 -18.380 1.00 44.57 N
219
+ ATOM 215 N SER A 28 16.052 5.264 -20.239 1.00 48.82 N
220
+ ATOM 216 CA SER A 28 15.654 4.510 -21.434 1.00 50.25 C
221
+ ATOM 217 C SER A 28 15.954 3.015 -21.374 1.00 50.72 C
222
+ ATOM 218 O SER A 28 15.417 2.241 -22.170 1.00 51.14 O
223
+ ATOM 219 CB SER A 28 16.286 5.120 -22.691 1.00 50.42 C
224
+ ATOM 220 OG SER A 28 15.831 6.452 -22.887 1.00 52.01 O
225
+ ATOM 221 N CYS A 29 16.793 2.601 -20.431 1.00 50.79 N
226
+ ATOM 222 CA CYS A 29 17.162 1.192 -20.332 1.00 51.05 C
227
+ ATOM 223 C CYS A 29 17.038 0.644 -18.899 1.00 50.07 C
228
+ ATOM 224 O CYS A 29 16.596 1.346 -18.001 1.00 50.03 O
229
+ ATOM 225 CB CYS A 29 18.556 0.979 -20.955 1.00 51.52 C
230
+ ATOM 226 SG CYS A 29 19.706 2.396 -20.747 1.00 55.29 S
231
+ ATOM 227 N GLY A 30 17.394 -0.616 -18.685 1.00 49.53 N
232
+ ATOM 228 CA GLY A 30 17.267 -1.212 -17.354 1.00 48.69 C
233
+ ATOM 229 C GLY A 30 18.372 -0.744 -16.433 1.00 47.92 C
234
+ ATOM 230 O GLY A 30 19.280 -0.034 -16.869 1.00 47.91 O
235
+ ATOM 231 N LEU A 31 18.305 -1.121 -15.156 1.00 47.51 N
236
+ ATOM 232 CA LEU A 31 19.455 -0.866 -14.268 1.00 46.90 C
237
+ ATOM 233 C LEU A 31 20.450 -2.011 -14.376 1.00 45.72 C
238
+ ATOM 234 O LEU A 31 20.076 -3.122 -14.717 1.00 45.30 O
239
+ ATOM 235 CB LEU A 31 19.050 -0.562 -12.806 1.00 47.73 C
240
+ ATOM 236 CG LEU A 31 18.294 -1.487 -11.832 1.00 47.88 C
241
+ ATOM 237 CD1 LEU A 31 16.837 -1.664 -12.222 1.00 48.94 C
242
+ ATOM 238 CD2 LEU A 31 18.985 -2.829 -11.674 1.00 49.79 C
243
+ ATOM 239 N SER A 32 21.713 -1.716 -14.103 1.00 45.10 N
244
+ ATOM 240 CA SER A 32 22.813 -2.649 -14.330 1.00 44.20 C
245
+ ATOM 241 C SER A 32 23.236 -3.383 -13.066 1.00 43.31 C
246
+ ATOM 242 O SER A 32 23.772 -4.499 -13.145 1.00 43.83 O
247
+ ATOM 243 CB SER A 32 24.008 -1.905 -14.898 1.00 44.38 C
248
+ ATOM 244 OG SER A 32 23.565 -0.895 -15.793 1.00 46.20 O
249
+ ATOM 245 N SER A 33 23.025 -2.737 -11.922 1.00 40.97 N
250
+ ATOM 246 CA SER A 33 23.218 -3.337 -10.604 1.00 39.71 C
251
+ ATOM 247 C SER A 33 22.706 -2.405 -9.502 1.00 37.97 C
252
+ ATOM 248 O SER A 33 22.500 -1.212 -9.722 1.00 37.15 O
253
+ ATOM 249 CB SER A 33 24.688 -3.719 -10.353 1.00 39.60 C
254
+ ATOM 250 OG SER A 33 25.553 -2.672 -10.718 1.00 41.48 O
255
+ ATOM 251 N THR A 34 22.516 -2.981 -8.320 1.00 36.46 N
256
+ ATOM 252 CA THR A 34 21.938 -2.306 -7.181 1.00 34.88 C
257
+ ATOM 253 C THR A 34 22.796 -2.492 -5.929 1.00 34.38 C
258
+ ATOM 254 O THR A 34 23.542 -3.470 -5.810 1.00 33.88 O
259
+ ATOM 255 CB THR A 34 20.537 -2.850 -6.894 1.00 35.44 C
260
+ ATOM 256 OG1 THR A 34 20.634 -4.205 -6.443 1.00 36.98 O
261
+ ATOM 257 CG2 THR A 34 19.661 -2.809 -8.148 1.00 33.29 C
262
+ ATOM 258 N THR A 35 22.683 -1.548 -4.996 1.00 33.06 N
263
+ ATOM 259 CA THR A 35 23.373 -1.630 -3.710 1.00 32.30 C
264
+ ATOM 260 C THR A 35 22.464 -1.016 -2.661 1.00 31.89 C
265
+ ATOM 261 O THR A 35 21.732 -0.067 -2.956 1.00 31.62 O
266
+ ATOM 262 CB THR A 35 24.755 -0.895 -3.716 1.00 31.93 C
267
+ ATOM 263 OG1 THR A 35 25.502 -1.271 -4.869 1.00 31.02 O
268
+ ATOM 264 CG2 THR A 35 25.583 -1.280 -2.518 1.00 31.71 C
269
+ ATOM 265 N TRP A 36 22.505 -1.584 -1.454 1.00 31.37 N
270
+ ATOM 266 CA TRP A 36 21.728 -1.122 -0.311 1.00 31.09 C
271
+ ATOM 267 C TRP A 36 22.673 -0.750 0.829 1.00 31.75 C
272
+ ATOM 268 O TRP A 36 23.688 -1.450 1.084 1.00 31.48 O
273
+ ATOM 269 CB TRP A 36 20.743 -2.207 0.131 1.00 31.19 C
274
+ ATOM 270 CG TRP A 36 19.655 -2.466 -0.908 1.00 30.94 C
275
+ ATOM 271 CD1 TRP A 36 19.724 -3.314 -1.975 1.00 29.88 C
276
+ ATOM 272 CD2 TRP A 36 18.361 -1.839 -0.977 1.00 30.13 C
277
+ ATOM 273 NE1 TRP A 36 18.554 -3.257 -2.702 1.00 30.59 N
278
+ ATOM 274 CE2 TRP A 36 17.703 -2.361 -2.112 1.00 29.97 C
279
+ ATOM 275 CE3 TRP A 36 17.701 -0.883 -0.192 1.00 31.04 C
280
+ ATOM 276 CZ2 TRP A 36 16.415 -1.964 -2.482 1.00 30.68 C
281
+ ATOM 277 CZ3 TRP A 36 16.419 -0.496 -0.551 1.00 30.71 C
282
+ ATOM 278 CH2 TRP A 36 15.791 -1.036 -1.689 1.00 31.16 C
283
+ ATOM 279 N TYR A 37 22.349 0.355 1.499 1.00 31.76 N
284
+ ATOM 280 CA TYR A 37 23.167 0.887 2.590 1.00 32.13 C
285
+ ATOM 281 C TYR A 37 22.306 1.181 3.801 1.00 32.27 C
286
+ ATOM 282 O TYR A 37 21.109 1.439 3.671 1.00 32.04 O
287
+ ATOM 283 CB TYR A 37 23.859 2.186 2.181 1.00 32.13 C
288
+ ATOM 284 CG TYR A 37 24.576 2.132 0.862 1.00 32.67 C
289
+ ATOM 285 CD1 TYR A 37 25.944 1.869 0.799 1.00 30.98 C
290
+ ATOM 286 CD2 TYR A 37 23.884 2.372 -0.331 1.00 32.63 C
291
+ ATOM 287 CE1 TYR A 37 26.597 1.832 -0.419 1.00 33.12 C
292
+ ATOM 288 CE2 TYR A 37 24.524 2.330 -1.543 1.00 32.35 C
293
+ ATOM 289 CZ TYR A 37 25.871 2.060 -1.585 1.00 31.74 C
294
+ ATOM 290 OH TYR A 37 26.494 2.025 -2.796 1.00 32.52 O
295
+ ATOM 291 N ARG A 38 22.938 1.166 4.965 1.00 32.74 N
296
+ ATOM 292 CA ARG A 38 22.286 1.399 6.255 1.00 34.24 C
297
+ ATOM 293 C ARG A 38 23.169 2.314 7.112 1.00 34.08 C
298
+ ATOM 294 O ARG A 38 24.358 2.053 7.264 1.00 34.30 O
299
+ ATOM 295 CB ARG A 38 22.116 0.062 6.994 1.00 34.45 C
300
+ ATOM 296 CG ARG A 38 21.369 0.138 8.296 1.00 38.46 C
301
+ ATOM 297 CD ARG A 38 21.049 -1.250 8.783 1.00 45.39 C
302
+ ATOM 298 NE ARG A 38 21.813 -1.620 9.975 1.00 52.43 N
303
+ ATOM 299 CZ ARG A 38 22.874 -2.429 9.993 1.00 55.35 C
304
+ ATOM 300 NH1 ARG A 38 23.472 -2.691 11.150 1.00 56.08 N
305
+ ATOM 301 NH2 ARG A 38 23.339 -2.982 8.869 1.00 56.69 N
306
+ ATOM 302 N THR A 39 22.587 3.367 7.678 1.00 34.36 N
307
+ ATOM 303 CA THR A 39 23.197 4.051 8.822 1.00 34.68 C
308
+ ATOM 304 C THR A 39 22.283 3.851 10.039 1.00 34.90 C
309
+ ATOM 305 O THR A 39 21.164 4.380 10.081 1.00 34.99 O
310
+ ATOM 306 CB THR A 39 23.392 5.546 8.545 1.00 34.73 C
311
+ ATOM 307 OG1 THR A 39 24.258 5.699 7.416 1.00 35.51 O
312
+ ATOM 308 CG2 THR A 39 23.987 6.258 9.756 1.00 34.14 C
313
+ ATOM 309 N GLN A 40 22.763 3.088 11.017 1.00 34.97 N
314
+ ATOM 310 CA GLN A 40 22.009 2.819 12.229 1.00 35.93 C
315
+ ATOM 311 C GLN A 40 21.736 4.107 13.010 1.00 35.53 C
316
+ ATOM 312 O GLN A 40 22.595 4.974 13.114 1.00 35.40 O
317
+ ATOM 313 CB GLN A 40 22.715 1.783 13.126 1.00 35.95 C
318
+ ATOM 314 CG GLN A 40 21.973 1.584 14.479 1.00 37.79 C
319
+ ATOM 315 CD GLN A 40 22.475 0.430 15.326 1.00 38.33 C
320
+ ATOM 316 OE1 GLN A 40 23.372 -0.315 14.939 1.00 42.40 O
321
+ ATOM 317 NE2 GLN A 40 21.879 0.276 16.500 1.00 41.39 N
322
+ ATOM 318 N LEU A 41 20.519 4.227 13.526 1.00 35.80 N
323
+ ATOM 319 CA LEU A 41 20.135 5.353 14.361 1.00 35.97 C
324
+ ATOM 320 C LEU A 41 21.137 5.461 15.492 1.00 36.20 C
325
+ ATOM 321 O LEU A 41 21.479 4.459 16.137 1.00 36.71 O
326
+ ATOM 322 CB LEU A 41 18.747 5.113 14.928 1.00 35.88 C
327
+ ATOM 323 CG LEU A 41 17.772 6.251 15.249 1.00 35.35 C
328
+ ATOM 324 CD1 LEU A 41 16.914 5.788 16.423 1.00 34.06 C
329
+ ATOM 325 CD2 LEU A 41 18.407 7.586 15.531 1.00 34.87 C
330
+ ATOM 326 N GLY A 42 21.649 6.662 15.701 1.00 36.07 N
331
+ ATOM 327 CA GLY A 42 22.656 6.863 16.717 1.00 35.96 C
332
+ ATOM 328 C GLY A 42 24.042 7.015 16.145 1.00 36.02 C
333
+ ATOM 329 O GLY A 42 24.865 7.702 16.740 1.00 36.29 O
334
+ ATOM 330 N SER A 43 24.292 6.387 14.992 1.00 35.54 N
335
+ ATOM 331 CA SER A 43 25.621 6.334 14.372 1.00 35.22 C
336
+ ATOM 332 C SER A 43 25.725 7.267 13.166 1.00 35.19 C
337
+ ATOM 333 O SER A 43 24.735 7.848 12.749 1.00 35.07 O
338
+ ATOM 334 CB SER A 43 25.955 4.904 13.948 1.00 35.65 C
339
+ ATOM 335 OG SER A 43 26.071 4.031 15.065 1.00 35.56 O
340
+ ATOM 336 N THR A 44 26.931 7.422 12.626 1.00 35.43 N
341
+ ATOM 337 CA THR A 44 27.174 8.269 11.443 1.00 35.56 C
342
+ ATOM 338 C THR A 44 27.789 7.506 10.280 1.00 35.38 C
343
+ ATOM 339 O THR A 44 27.997 8.071 9.214 1.00 35.70 O
344
+ ATOM 340 CB THR A 44 28.113 9.460 11.751 1.00 35.60 C
345
+ ATOM 341 OG1 THR A 44 29.384 8.976 12.220 1.00 35.00 O
346
+ ATOM 342 CG2 THR A 44 27.491 10.386 12.792 1.00 36.42 C
347
+ ATOM 343 N ASN A 45 28.102 6.234 10.486 1.00 35.46 N
348
+ ATOM 344 CA ASN A 45 28.753 5.436 9.446 1.00 35.61 C
349
+ ATOM 345 C ASN A 45 27.753 4.656 8.587 1.00 36.06 C
350
+ ATOM 346 O ASN A 45 26.907 3.933 9.115 1.00 35.99 O
351
+ ATOM 347 CB ASN A 45 29.779 4.472 10.055 1.00 34.97 C
352
+ ATOM 348 CG ASN A 45 29.188 3.587 11.123 1.00 34.97 C
353
+ ATOM 349 OD1 ASN A 45 29.438 2.378 11.150 1.00 35.33 O
354
+ ATOM 350 ND2 ASN A 45 28.401 4.180 12.023 1.00 33.58 N
355
+ ATOM 351 N GLU A 46 27.886 4.800 7.267 1.00 36.14 N
356
+ ATOM 352 CA GLU A 46 27.065 4.091 6.310 1.00 36.50 C
357
+ ATOM 353 C GLU A 46 27.679 2.741 5.996 1.00 36.44 C
358
+ ATOM 354 O GLU A 46 28.815 2.652 5.515 1.00 36.50 O
359
+ ATOM 355 CB GLU A 46 26.918 4.905 5.030 1.00 36.98 C
360
+ ATOM 356 CG GLU A 46 25.803 4.429 4.133 1.00 38.82 C
361
+ ATOM 357 CD GLU A 46 25.589 5.340 2.948 1.00 41.34 C
362
+ ATOM 358 OE1 GLU A 46 24.592 6.091 2.952 1.00 44.90 O
363
+ ATOM 359 OE2 GLU A 46 26.420 5.325 2.017 1.00 42.74 O
364
+ ATOM 360 N LYS A 47 26.930 1.686 6.286 1.00 35.63 N
365
+ ATOM 361 CA LYS A 47 27.389 0.343 5.991 1.00 35.73 C
366
+ ATOM 362 C LYS A 47 26.699 -0.162 4.734 1.00 34.96 C
367
+ ATOM 363 O LYS A 47 25.533 0.129 4.520 1.00 34.29 O
368
+ ATOM 364 CB LYS A 47 27.137 -0.592 7.169 1.00 35.77 C
369
+ ATOM 365 CG LYS A 47 27.802 -0.103 8.441 1.00 38.76 C
370
+ ATOM 366 CD LYS A 47 27.441 -0.924 9.656 1.00 43.98 C
371
+ ATOM 367 CE LYS A 47 25.918 -1.089 9.822 1.00 47.51 C
372
+ ATOM 368 NZ LYS A 47 25.123 0.189 9.918 1.00 49.84 N
373
+ ATOM 369 N THR A 60 27.450 -0.877 3.893 1.00 34.26 N
374
+ ATOM 370 CA THR A 60 26.881 -1.581 2.746 1.00 33.61 C
375
+ ATOM 371 C THR A 60 26.254 -2.896 3.200 1.00 34.01 C
376
+ ATOM 372 O THR A 60 26.908 -3.713 3.860 1.00 33.81 O
377
+ ATOM 373 CB THR A 60 27.926 -1.827 1.626 1.00 33.42 C
378
+ ATOM 374 OG1 THR A 60 28.452 -0.564 1.184 1.00 32.33 O
379
+ ATOM 375 CG2 THR A 60 27.286 -2.556 0.433 1.00 30.53 C
380
+ ATOM 376 N ILE A 61 24.982 -3.083 2.855 1.00 34.02 N
381
+ ATOM 377 CA ILE A 61 24.254 -4.303 3.218 1.00 34.35 C
382
+ ATOM 378 C ILE A 61 24.594 -5.475 2.284 1.00 34.91 C
383
+ ATOM 379 O ILE A 61 24.408 -5.392 1.061 1.00 34.25 O
384
+ ATOM 380 CB ILE A 61 22.703 -4.065 3.231 1.00 34.78 C
385
+ ATOM 381 CG1 ILE A 61 22.312 -3.095 4.359 1.00 33.61 C
386
+ ATOM 382 CG2 ILE A 61 21.932 -5.403 3.343 1.00 33.99 C
387
+ ATOM 383 CD1 ILE A 61 20.923 -2.497 4.232 1.00 33.58 C
388
+ ATOM 384 N SER A 62 25.089 -6.564 2.868 1.00 35.49 N
389
+ ATOM 385 CA SER A 62 25.231 -7.816 2.127 1.00 36.47 C
390
+ ATOM 386 C SER A 62 23.897 -8.539 2.086 1.00 36.21 C
391
+ ATOM 387 O SER A 62 23.270 -8.747 3.118 1.00 35.96 O
392
+ ATOM 388 CB SER A 62 26.283 -8.714 2.773 1.00 36.65 C
393
+ ATOM 389 OG SER A 62 27.542 -8.058 2.733 1.00 39.47 O
394
+ ATOM 390 N ILE A 63 23.462 -8.920 0.892 1.00 36.46 N
395
+ ATOM 391 CA ILE A 63 22.193 -9.637 0.764 1.00 36.77 C
396
+ ATOM 392 C ILE A 63 22.385 -11.098 1.188 1.00 36.67 C
397
+ ATOM 393 O ILE A 63 23.329 -11.767 0.759 1.00 37.06 O
398
+ ATOM 394 CB ILE A 63 21.599 -9.501 -0.652 1.00 36.88 C
399
+ ATOM 395 CG1 ILE A 63 21.531 -8.023 -1.073 1.00 36.79 C
400
+ ATOM 396 CG2 ILE A 63 20.219 -10.170 -0.739 1.00 37.80 C
401
+ ATOM 397 CD1 ILE A 63 20.787 -7.078 -0.115 1.00 36.54 C
402
+ ATOM 398 N GLY A 64 21.506 -11.567 2.068 1.00 36.39 N
403
+ ATOM 399 CA GLY A 64 21.692 -12.848 2.742 1.00 35.15 C
404
+ ATOM 400 C GLY A 64 21.226 -12.705 4.162 1.00 34.71 C
405
+ ATOM 401 O GLY A 64 21.057 -11.591 4.643 1.00 34.41 O
406
+ ATOM 402 N GLY A 65 21.022 -13.836 4.840 1.00 34.84 N
407
+ ATOM 403 CA GLY A 65 20.392 -13.858 6.158 1.00 33.71 C
408
+ ATOM 404 C GLY A 65 19.031 -13.181 6.142 1.00 33.53 C
409
+ ATOM 405 O GLY A 65 18.204 -13.442 5.260 1.00 33.17 O
410
+ ATOM 406 N ARG A 66 18.806 -12.297 7.111 1.00 33.30 N
411
+ ATOM 407 CA ARG A 66 17.539 -11.560 7.232 1.00 33.78 C
412
+ ATOM 408 C ARG A 66 17.284 -10.533 6.116 1.00 34.01 C
413
+ ATOM 409 O ARG A 66 16.184 -9.996 6.042 1.00 33.79 O
414
+ ATOM 410 CB ARG A 66 17.433 -10.832 8.583 1.00 33.96 C
415
+ ATOM 411 CG ARG A 66 17.400 -11.713 9.797 1.00 33.59 C
416
+ ATOM 412 CD ARG A 66 17.069 -10.935 11.046 1.00 32.37 C
417
+ ATOM 413 NE ARG A 66 18.097 -9.959 11.404 1.00 32.11 N
418
+ ATOM 414 CZ ARG A 66 17.884 -8.649 11.521 1.00 33.66 C
419
+ ATOM 415 NH1 ARG A 66 16.670 -8.133 11.311 1.00 33.12 N
420
+ ATOM 416 NH2 ARG A 66 18.887 -7.842 11.843 1.00 32.41 N
421
+ ATOM 417 N TYR A 67 18.289 -10.239 5.288 1.00 34.59 N
422
+ ATOM 418 CA TYR A 67 18.105 -9.328 4.136 1.00 36.44 C
423
+ ATOM 419 C TYR A 67 17.858 -10.119 2.857 1.00 36.86 C
424
+ ATOM 420 O TYR A 67 18.604 -11.058 2.555 1.00 36.84 O
425
+ ATOM 421 CB TYR A 67 19.309 -8.398 3.935 1.00 36.55 C
426
+ ATOM 422 CG TYR A 67 19.703 -7.629 5.182 1.00 37.70 C
427
+ ATOM 423 CD1 TYR A 67 20.766 -8.052 5.969 1.00 38.53 C
428
+ ATOM 424 CD2 TYR A 67 19.011 -6.474 5.566 1.00 37.66 C
429
+ ATOM 425 CE1 TYR A 67 21.133 -7.348 7.111 1.00 39.91 C
430
+ ATOM 426 CE2 TYR A 67 19.364 -5.762 6.706 1.00 39.16 C
431
+ ATOM 427 CZ TYR A 67 20.427 -6.205 7.475 1.00 39.42 C
432
+ ATOM 428 OH TYR A 67 20.798 -5.513 8.608 1.00 39.78 O
433
+ ATOM 429 N ASP A 68 16.808 -9.739 2.135 1.00 37.48 N
434
+ ATOM 430 CA ASP A 68 16.421 -10.373 0.870 1.00 39.22 C
435
+ ATOM 431 C ASP A 68 16.178 -9.301 -0.213 1.00 39.58 C
436
+ ATOM 432 O ASP A 68 15.456 -8.335 0.009 1.00 39.49 O
437
+ ATOM 433 CB ASP A 68 15.189 -11.272 1.109 1.00 39.31 C
438
+ ATOM 434 CG ASP A 68 14.415 -11.624 -0.166 1.00 42.34 C
439
+ ATOM 435 OD1 ASP A 68 15.020 -12.011 -1.212 1.00 43.43 O
440
+ ATOM 436 OD2 ASP A 68 13.157 -11.565 -0.092 1.00 45.88 O
441
+ ATOM 437 N GLU A 69 16.808 -9.461 -1.369 1.00 40.50 N
442
+ ATOM 438 CA GLU A 69 16.582 -8.538 -2.468 1.00 42.28 C
443
+ ATOM 439 C GLU A 69 15.868 -9.206 -3.647 1.00 43.13 C
444
+ ATOM 440 O GLU A 69 16.201 -10.325 -4.043 1.00 43.24 O
445
+ ATOM 441 CB GLU A 69 17.885 -7.883 -2.922 1.00 41.69 C
446
+ ATOM 442 CG GLU A 69 17.682 -6.810 -3.980 1.00 42.75 C
447
+ ATOM 443 CD GLU A 69 18.975 -6.137 -4.433 1.00 42.93 C
448
+ ATOM 444 OE1 GLU A 69 18.885 -4.988 -4.920 1.00 42.16 O
449
+ ATOM 445 OE2 GLU A 69 20.065 -6.747 -4.304 1.00 42.87 O
450
+ ATOM 446 N THR A 70 14.886 -8.505 -4.191 1.00 44.25 N
451
+ ATOM 447 CA THR A 70 14.182 -8.949 -5.378 1.00 46.07 C
452
+ ATOM 448 C THR A 70 14.253 -7.852 -6.429 1.00 47.06 C
453
+ ATOM 449 O THR A 70 13.720 -6.758 -6.230 1.00 47.39 O
454
+ ATOM 450 CB THR A 70 12.717 -9.271 -5.066 1.00 45.80 C
455
+ ATOM 451 OG1 THR A 70 12.662 -10.223 -3.994 1.00 46.50 O
456
+ ATOM 452 CG2 THR A 70 12.012 -9.833 -6.305 1.00 46.30 C
457
+ ATOM 453 N VAL A 71 14.934 -8.149 -7.530 1.00 48.32 N
458
+ ATOM 454 CA VAL A 71 15.020 -7.235 -8.654 1.00 50.00 C
459
+ ATOM 455 C VAL A 71 14.055 -7.674 -9.747 1.00 51.52 C
460
+ ATOM 456 O VAL A 71 14.111 -8.817 -10.215 1.00 51.90 O
461
+ ATOM 457 CB VAL A 71 16.430 -7.173 -9.243 1.00 49.92 C
462
+ ATOM 458 CG1 VAL A 71 16.427 -6.289 -10.498 1.00 49.94 C
463
+ ATOM 459 CG2 VAL A 71 17.431 -6.668 -8.204 1.00 49.17 C
464
+ ATOM 460 N ASP A 72 13.171 -6.764 -10.138 1.00 53.00 N
465
+ ATOM 461 CA ASP A 72 12.200 -7.028 -11.181 1.00 54.85 C
466
+ ATOM 462 C ASP A 72 12.454 -6.104 -12.364 1.00 55.87 C
467
+ ATOM 463 O ASP A 72 11.811 -5.054 -12.491 1.00 56.17 O
468
+ ATOM 464 CB ASP A 72 10.782 -6.826 -10.640 1.00 55.20 C
469
+ ATOM 465 CG ASP A 72 9.700 -7.003 -11.714 1.00 56.86 C
470
+ ATOM 466 OD1 ASP A 72 10.038 -7.281 -12.889 1.00 58.37 O
471
+ ATOM 467 OD2 ASP A 72 8.505 -6.842 -11.376 1.00 57.79 O
472
+ ATOM 468 N LYS A 73 13.408 -6.473 -13.219 1.00 56.95 N
473
+ ATOM 469 CA LYS A 73 13.603 -5.741 -14.477 1.00 57.85 C
474
+ ATOM 470 C LYS A 73 12.363 -5.993 -15.326 1.00 57.73 C
475
+ ATOM 471 O LYS A 73 11.947 -7.143 -15.515 1.00 58.34 O
476
+ ATOM 472 CB LYS A 73 14.890 -6.170 -15.195 1.00 58.19 C
477
+ ATOM 473 CG LYS A 73 15.096 -7.680 -15.332 1.00 58.72 C
478
+ ATOM 474 CD LYS A 73 16.451 -8.000 -15.970 1.00 58.93 C
479
+ ATOM 475 CE LYS A 73 16.656 -9.504 -16.156 1.00 60.43 C
480
+ ATOM 476 NZ LYS A 73 15.585 -10.142 -16.997 1.00 61.32 N
481
+ ATOM 477 N GLY A 74 11.751 -4.918 -15.801 1.00 57.36 N
482
+ ATOM 478 CA GLY A 74 10.413 -5.006 -16.379 1.00 56.59 C
483
+ ATOM 479 C GLY A 74 9.599 -3.862 -15.815 1.00 56.07 C
484
+ ATOM 480 O GLY A 74 9.003 -3.079 -16.566 1.00 56.40 O
485
+ ATOM 481 N SER A 75 9.572 -3.773 -14.485 1.00 54.92 N
486
+ ATOM 482 CA SER A 75 9.127 -2.557 -13.808 1.00 53.56 C
487
+ ATOM 483 C SER A 75 10.345 -1.711 -13.427 1.00 52.24 C
488
+ ATOM 484 O SER A 75 10.197 -0.583 -12.955 1.00 52.33 O
489
+ ATOM 485 CB SER A 75 8.247 -2.872 -12.592 1.00 53.86 C
490
+ ATOM 486 OG SER A 75 8.657 -4.064 -11.950 1.00 54.54 O
491
+ ATOM 487 N LYS A 76 11.544 -2.250 -13.687 1.00 50.54 N
492
+ ATOM 488 CA LYS A 76 12.822 -1.589 -13.369 1.00 48.48 C
493
+ ATOM 489 C LYS A 76 12.924 -1.296 -11.872 1.00 47.05 C
494
+ ATOM 490 O LYS A 76 13.505 -0.283 -11.451 1.00 46.90 O
495
+ ATOM 491 CB LYS A 76 12.991 -0.301 -14.185 1.00 48.75 C
496
+ ATOM 492 CG LYS A 76 12.747 -0.489 -15.666 1.00 49.19 C
497
+ ATOM 493 CD LYS A 76 13.683 0.355 -16.501 1.00 50.86 C
498
+ ATOM 494 CE LYS A 76 13.035 1.640 -16.955 1.00 51.12 C
499
+ ATOM 495 NZ LYS A 76 13.684 2.071 -18.218 1.00 50.20 N
500
+ ATOM 496 N SER A 77 12.332 -2.180 -11.074 1.00 44.71 N
501
+ ATOM 497 CA SER A 77 12.203 -1.955 -9.652 1.00 43.41 C
502
+ ATOM 498 C SER A 77 13.006 -3.000 -8.915 1.00 42.05 C
503
+ ATOM 499 O SER A 77 13.139 -4.122 -9.391 1.00 41.83 O
504
+ ATOM 500 CB SER A 77 10.745 -2.044 -9.235 1.00 43.23 C
505
+ ATOM 501 OG SER A 77 10.310 -3.381 -9.348 1.00 44.99 O
506
+ ATOM 502 N PHE A 78 13.566 -2.611 -7.774 1.00 40.67 N
507
+ ATOM 503 CA PHE A 78 14.288 -3.533 -6.902 1.00 39.15 C
508
+ ATOM 504 C PHE A 78 13.862 -3.285 -5.474 1.00 38.68 C
509
+ ATOM 505 O PHE A 78 13.655 -2.127 -5.069 1.00 38.51 O
510
+ ATOM 506 CB PHE A 78 15.815 -3.442 -7.066 1.00 39.18 C
511
+ ATOM 507 CG PHE A 78 16.400 -2.042 -6.950 1.00 39.36 C
512
+ ATOM 508 CD1 PHE A 78 17.323 -1.746 -5.953 1.00 41.20 C
513
+ ATOM 509 CD2 PHE A 78 16.076 -1.037 -7.864 1.00 39.64 C
514
+ ATOM 510 CE1 PHE A 78 17.910 -0.466 -5.857 1.00 40.42 C
515
+ ATOM 511 CE2 PHE A 78 16.648 0.242 -7.772 1.00 39.98 C
516
+ ATOM 512 CZ PHE A 78 17.565 0.525 -6.765 1.00 39.42 C
517
+ ATOM 513 N SER A 79 13.708 -4.365 -4.719 1.00 37.26 N
518
+ ATOM 514 CA SER A 79 13.134 -4.273 -3.385 1.00 36.83 C
519
+ ATOM 515 C SER A 79 14.003 -4.962 -2.351 1.00 36.29 C
520
+ ATOM 516 O SER A 79 14.647 -5.963 -2.653 1.00 36.29 O
521
+ ATOM 517 CB SER A 79 11.732 -4.863 -3.364 1.00 36.70 C
522
+ ATOM 518 OG SER A 79 10.843 -3.962 -3.997 1.00 38.10 O
523
+ ATOM 519 N LEU A 80 14.040 -4.401 -1.148 1.00 35.20 N
524
+ ATOM 520 CA LEU A 80 14.762 -5.009 -0.041 1.00 34.83 C
525
+ ATOM 521 C LEU A 80 13.779 -5.384 1.055 1.00 34.97 C
526
+ ATOM 522 O LEU A 80 12.994 -4.552 1.516 1.00 34.59 O
527
+ ATOM 523 CB LEU A 80 15.822 -4.060 0.516 1.00 34.45 C
528
+ ATOM 524 CG LEU A 80 16.658 -4.606 1.685 1.00 34.62 C
529
+ ATOM 525 CD1 LEU A 80 17.699 -5.627 1.203 1.00 32.82 C
530
+ ATOM 526 CD2 LEU A 80 17.314 -3.502 2.476 1.00 33.16 C
531
+ ATOM 527 N ARG A 81 13.823 -6.643 1.465 1.00 35.05 N
532
+ ATOM 528 CA ARG A 81 13.006 -7.095 2.557 1.00 35.54 C
533
+ ATOM 529 C ARG A 81 13.865 -7.486 3.765 1.00 34.90 C
534
+ ATOM 530 O ARG A 81 14.806 -8.286 3.647 1.00 34.96 O
535
+ ATOM 531 CB ARG A 81 12.109 -8.249 2.111 1.00 36.28 C
536
+ ATOM 532 CG ARG A 81 11.096 -8.618 3.167 1.00 40.46 C
537
+ ATOM 533 CD ARG A 81 10.136 -9.699 2.742 1.00 47.04 C
538
+ ATOM 534 NE ARG A 81 8.982 -9.689 3.643 1.00 52.95 N
539
+ ATOM 535 CZ ARG A 81 7.842 -9.037 3.403 1.00 55.61 C
540
+ ATOM 536 NH1 ARG A 81 6.846 -9.079 4.290 1.00 55.10 N
541
+ ATOM 537 NH2 ARG A 81 7.691 -8.355 2.266 1.00 56.72 N
542
+ ATOM 538 N ILE A 82 13.535 -6.913 4.919 1.00 34.11 N
543
+ ATOM 539 CA ILE A 82 14.202 -7.259 6.170 1.00 33.53 C
544
+ ATOM 540 C ILE A 82 13.211 -7.986 7.065 1.00 33.65 C
545
+ ATOM 541 O ILE A 82 12.170 -7.428 7.409 1.00 34.05 O
546
+ ATOM 542 CB ILE A 82 14.763 -5.993 6.906 1.00 33.92 C
547
+ ATOM 543 CG1 ILE A 82 15.606 -5.115 5.960 1.00 32.32 C
548
+ ATOM 544 CG2 ILE A 82 15.539 -6.390 8.178 1.00 32.13 C
549
+ ATOM 545 CD1 ILE A 82 15.527 -3.608 6.283 1.00 32.42 C
550
+ ATOM 546 N SER A 82A 13.541 -9.227 7.436 1.00 33.75 N
551
+ ATOM 547 CA SER A 82A 12.723 -10.061 8.344 1.00 33.38 C
552
+ ATOM 548 C SER A 82A 13.071 -9.860 9.809 1.00 33.07 C
553
+ ATOM 549 O SER A 82A 14.225 -9.542 10.149 1.00 32.69 O
554
+ ATOM 550 CB SER A 82A 12.929 -11.546 8.044 1.00 33.35 C
555
+ ATOM 551 OG SER A 82A 12.773 -11.802 6.667 1.00 33.85 O
556
+ ATOM 552 N ASP A 82B 12.058 -10.066 10.660 1.00 32.50 N
557
+ ATOM 553 CA ASP A 82B 12.200 -10.191 12.105 1.00 32.04 C
558
+ ATOM 554 C ASP A 82B 12.915 -8.964 12.664 1.00 31.89 C
559
+ ATOM 555 O ASP A 82B 13.969 -9.075 13.285 1.00 30.45 O
560
+ ATOM 556 CB ASP A 82B 12.955 -11.477 12.478 1.00 32.44 C
561
+ ATOM 557 CG ASP A 82B 12.703 -11.910 13.913 1.00 33.24 C
562
+ ATOM 558 OD1 ASP A 82B 11.833 -11.316 14.583 1.00 36.64 O
563
+ ATOM 559 OD2 ASP A 82B 13.368 -12.847 14.388 1.00 35.44 O
564
+ ATOM 560 N LEU A 82C 12.329 -7.801 12.412 1.00 31.29 N
565
+ ATOM 561 CA LEU A 82C 12.975 -6.543 12.737 1.00 32.51 C
566
+ ATOM 562 C LEU A 82C 13.430 -6.503 14.186 1.00 32.72 C
567
+ ATOM 563 O LEU A 82C 12.686 -6.910 15.093 1.00 31.64 O
568
+ ATOM 564 CB LEU A 82C 12.060 -5.356 12.406 1.00 32.36 C
569
+ ATOM 565 CG LEU A 82C 11.939 -5.099 10.890 1.00 32.60 C
570
+ ATOM 566 CD1 LEU A 82C 10.703 -4.295 10.597 1.00 34.12 C
571
+ ATOM 567 CD2 LEU A 82C 13.177 -4.390 10.341 1.00 32.49 C
572
+ ATOM 568 N ARG A 83 14.678 -6.075 14.371 1.00 33.34 N
573
+ ATOM 569 CA ARG A 83 15.248 -5.781 15.704 1.00 34.28 C
574
+ ATOM 570 C ARG A 83 15.295 -4.282 15.923 1.00 34.06 C
575
+ ATOM 571 O ARG A 83 15.421 -3.508 14.981 1.00 34.07 O
576
+ ATOM 572 CB ARG A 83 16.695 -6.270 15.813 1.00 34.06 C
577
+ ATOM 573 CG ARG A 83 16.836 -7.737 15.994 1.00 36.42 C
578
+ ATOM 574 CD ARG A 83 17.049 -8.396 14.669 1.00 38.43 C
579
+ ATOM 575 NE ARG A 83 16.294 -9.638 14.588 1.00 40.32 N
580
+ ATOM 576 CZ ARG A 83 16.786 -10.822 14.908 1.00 40.94 C
581
+ ATOM 577 NH1 ARG A 83 16.013 -11.896 14.807 1.00 40.97 N
582
+ ATOM 578 NH2 ARG A 83 18.049 -10.918 15.327 1.00 40.45 N
583
+ ATOM 579 N VAL A 84 15.251 -3.890 17.185 1.00 34.09 N
584
+ ATOM 580 CA VAL A 84 15.421 -2.511 17.596 1.00 34.29 C
585
+ ATOM 581 C VAL A 84 16.685 -1.882 16.948 1.00 34.60 C
586
+ ATOM 582 O VAL A 84 16.648 -0.732 16.476 1.00 34.00 O
587
+ ATOM 583 CB VAL A 84 15.398 -2.473 19.154 1.00 34.55 C
588
+ ATOM 584 CG1 VAL A 84 16.614 -1.806 19.730 1.00 35.73 C
589
+ ATOM 585 CG2 VAL A 84 14.094 -1.906 19.661 1.00 34.01 C
590
+ ATOM 586 N GLU A 85 17.772 -2.659 16.868 1.00 34.53 N
591
+ ATOM 587 CA GLU A 85 19.012 -2.180 16.253 1.00 35.14 C
592
+ ATOM 588 C GLU A 85 18.970 -2.089 14.700 1.00 34.54 C
593
+ ATOM 589 O GLU A 85 19.938 -1.644 14.062 1.00 34.54 O
594
+ ATOM 590 CB GLU A 85 20.246 -2.950 16.782 1.00 35.66 C
595
+ ATOM 591 CG GLU A 85 20.293 -4.429 16.429 1.00 38.94 C
596
+ ATOM 592 CD GLU A 85 19.625 -5.329 17.467 1.00 43.88 C
597
+ ATOM 593 OE1 GLU A 85 19.755 -6.572 17.333 1.00 46.72 O
598
+ ATOM 594 OE2 GLU A 85 18.974 -4.814 18.408 1.00 45.15 O
599
+ ATOM 595 N ASP A 86 17.842 -2.474 14.099 1.00 33.44 N
600
+ ATOM 596 CA ASP A 86 17.610 -2.204 12.672 1.00 31.97 C
601
+ ATOM 597 C ASP A 86 17.205 -0.749 12.399 1.00 31.41 C
602
+ ATOM 598 O ASP A 86 17.246 -0.302 11.262 1.00 31.52 O
603
+ ATOM 599 CB ASP A 86 16.570 -3.158 12.110 1.00 31.71 C
604
+ ATOM 600 CG ASP A 86 17.050 -4.613 12.092 1.00 31.95 C
605
+ ATOM 601 OD1 ASP A 86 18.239 -4.889 11.768 1.00 30.96 O
606
+ ATOM 602 OD2 ASP A 86 16.215 -5.495 12.396 1.00 31.74 O
607
+ ATOM 603 N SER A 87 16.831 -0.014 13.448 1.00 30.57 N
608
+ ATOM 604 CA SER A 87 16.467 1.401 13.351 1.00 29.93 C
609
+ ATOM 605 C SER A 87 17.585 2.158 12.696 1.00 29.95 C
610
+ ATOM 606 O SER A 87 18.773 1.939 13.014 1.00 29.53 O
611
+ ATOM 607 CB SER A 87 16.202 2.014 14.734 1.00 29.98 C
612
+ ATOM 608 OG SER A 87 15.238 1.259 15.444 1.00 30.84 O
613
+ ATOM 609 N GLY A 88 17.211 3.046 11.781 1.00 29.34 N
614
+ ATOM 610 CA GLY A 88 18.187 3.783 11.016 1.00 30.09 C
615
+ ATOM 611 C GLY A 88 17.630 4.234 9.686 1.00 31.09 C
616
+ ATOM 612 O GLY A 88 16.429 4.104 9.425 1.00 30.89 O
617
+ ATOM 613 N THR A 89 18.514 4.791 8.861 1.00 31.47 N
618
+ ATOM 614 CA THR A 89 18.173 5.262 7.534 1.00 32.53 C
619
+ ATOM 615 C THR A 89 18.687 4.254 6.486 1.00 32.04 C
620
+ ATOM 616 O THR A 89 19.836 3.839 6.529 1.00 30.82 O
621
+ ATOM 617 CB THR A 89 18.732 6.685 7.296 1.00 32.70 C
622
+ ATOM 618 OG1 THR A 89 18.076 7.594 8.191 1.00 36.03 O
623
+ ATOM 619 CG2 THR A 89 18.466 7.171 5.881 1.00 33.65 C
624
+ ATOM 620 N TYR A 90 17.805 3.858 5.572 1.00 31.51 N
625
+ ATOM 621 CA TYR A 90 18.168 2.932 4.505 1.00 32.16 C
626
+ ATOM 622 C TYR A 90 18.175 3.635 3.146 1.00 32.96 C
627
+ ATOM 623 O TYR A 90 17.315 4.459 2.849 1.00 32.66 O
628
+ ATOM 624 CB TYR A 90 17.221 1.733 4.485 1.00 31.26 C
629
+ ATOM 625 CG TYR A 90 17.358 0.864 5.697 1.00 30.45 C
630
+ ATOM 626 CD1 TYR A 90 18.044 -0.335 5.626 1.00 30.07 C
631
+ ATOM 627 CD2 TYR A 90 16.818 1.245 6.930 1.00 29.90 C
632
+ ATOM 628 CE1 TYR A 90 18.186 -1.147 6.755 1.00 31.94 C
633
+ ATOM 629 CE2 TYR A 90 16.961 0.432 8.071 1.00 30.43 C
634
+ ATOM 630 CZ TYR A 90 17.642 -0.762 7.963 1.00 30.71 C
635
+ ATOM 631 OH TYR A 90 17.815 -1.585 9.049 1.00 30.57 O
636
+ ATOM 632 N LYS A 91 19.168 3.304 2.334 1.00 34.23 N
637
+ ATOM 633 CA LYS A 91 19.342 3.917 1.031 1.00 35.45 C
638
+ ATOM 634 C LYS A 91 19.577 2.823 -0.015 1.00 35.58 C
639
+ ATOM 635 O LYS A 91 20.228 1.812 0.273 1.00 35.27 O
640
+ ATOM 636 CB LYS A 91 20.542 4.844 1.085 1.00 36.04 C
641
+ ATOM 637 CG LYS A 91 20.545 5.935 0.046 1.00 39.46 C
642
+ ATOM 638 CD LYS A 91 21.931 6.052 -0.584 1.00 43.80 C
643
+ ATOM 639 CE LYS A 91 22.931 6.732 0.337 1.00 46.63 C
644
+ ATOM 640 NZ LYS A 91 24.306 6.586 -0.214 1.00 48.32 N
645
+ ATOM 641 N CYS A 92 19.039 3.034 -1.217 1.00 35.76 N
646
+ ATOM 642 CA CYS A 92 19.293 2.176 -2.365 1.00 35.79 C
647
+ ATOM 643 C CYS A 92 20.045 2.940 -3.462 1.00 35.52 C
648
+ ATOM 644 O CYS A 92 19.806 4.111 -3.661 1.00 35.94 O
649
+ ATOM 645 CB CYS A 92 17.968 1.643 -2.914 1.00 36.20 C
650
+ ATOM 646 SG CYS A 92 16.855 2.951 -3.529 1.00 36.93 S
651
+ ATOM 647 N GLN A 93 20.958 2.266 -4.159 1.00 35.19 N
652
+ ATOM 648 CA GLN A 93 21.701 2.844 -5.285 1.00 34.88 C
653
+ ATOM 649 C GLN A 93 21.456 1.987 -6.535 1.00 34.74 C
654
+ ATOM 650 O GLN A 93 21.530 0.767 -6.462 1.00 34.40 O
655
+ ATOM 651 CB GLN A 93 23.210 2.898 -4.990 1.00 34.29 C
656
+ ATOM 652 CG GLN A 93 24.052 3.536 -6.098 1.00 34.08 C
657
+ ATOM 653 CD GLN A 93 25.534 3.688 -5.739 1.00 35.43 C
658
+ ATOM 654 OE1 GLN A 93 25.922 4.639 -5.064 1.00 36.67 O
659
+ ATOM 655 NE2 GLN A 93 26.374 2.779 -6.243 1.00 34.83 N
660
+ ATOM 656 N ALA A 94 21.149 2.629 -7.661 1.00 34.37 N
661
+ ATOM 657 CA ALA A 94 21.037 1.934 -8.943 1.00 34.79 C
662
+ ATOM 658 C ALA A 94 22.127 2.425 -9.887 1.00 35.14 C
663
+ ATOM 659 O ALA A 94 22.276 3.626 -10.102 1.00 35.53 O
664
+ ATOM 660 CB ALA A 94 19.681 2.166 -9.539 1.00 34.30 C
665
+ ATOM 661 N ASP A 95 22.921 1.501 -10.403 1.00 35.96 N
666
+ ATOM 662 CA ASP A 95 23.947 1.829 -11.372 1.00 37.17 C
667
+ ATOM 663 C ASP A 95 23.299 1.771 -12.738 1.00 37.56 C
668
+ ATOM 664 O ASP A 95 22.357 1.008 -12.957 1.00 37.65 O
669
+ ATOM 665 CB ASP A 95 25.113 0.836 -11.294 1.00 37.54 C
670
+ ATOM 666 CG ASP A 95 25.926 0.977 -10.001 1.00 40.70 C
671
+ ATOM 667 OD1 ASP A 95 26.406 2.086 -9.697 1.00 43.57 O
672
+ ATOM 668 OD2 ASP A 95 26.101 -0.030 -9.287 1.00 44.53 O
673
+ ATOM 669 N TYR A 96 23.789 2.593 -13.652 1.00 37.85 N
674
+ ATOM 670 CA TYR A 96 23.236 2.638 -14.995 1.00 38.14 C
675
+ ATOM 671 C TYR A 96 24.221 3.368 -15.907 1.00 38.53 C
676
+ ATOM 672 O TYR A 96 25.091 4.145 -15.446 1.00 37.79 O
677
+ ATOM 673 CB TYR A 96 21.870 3.357 -14.981 1.00 37.87 C
678
+ ATOM 674 CG TYR A 96 21.995 4.848 -14.810 1.00 37.94 C
679
+ ATOM 675 CD1 TYR A 96 21.743 5.716 -15.879 1.00 38.17 C
680
+ ATOM 676 CD2 TYR A 96 22.410 5.401 -13.598 1.00 37.91 C
681
+ ATOM 677 CE1 TYR A 96 21.879 7.097 -15.738 1.00 36.27 C
682
+ ATOM 678 CE2 TYR A 96 22.557 6.780 -13.450 1.00 36.97 C
683
+ ATOM 679 CZ TYR A 96 22.290 7.618 -14.531 1.00 37.60 C
684
+ ATOM 680 OH TYR A 96 22.421 8.980 -14.395 1.00 38.11 O
685
+ ATOM 681 N SER A 97 24.075 3.113 -17.202 1.00 38.54 N
686
+ ATOM 682 CA SER A 97 24.809 3.840 -18.230 1.00 38.88 C
687
+ ATOM 683 C SER A 97 23.909 4.906 -18.857 1.00 39.37 C
688
+ ATOM 684 O SER A 97 22.851 4.591 -19.401 1.00 39.22 O
689
+ ATOM 685 CB SER A 97 25.312 2.876 -19.305 1.00 38.31 C
690
+ ATOM 686 OG SER A 97 25.776 3.589 -20.442 1.00 39.87 O
691
+ ATOM 687 N PRO A 98 24.311 6.180 -18.753 1.00 40.34 N
692
+ ATOM 688 CA PRO A 98 23.654 7.268 -19.478 1.00 40.75 C
693
+ ATOM 689 C PRO A 98 23.377 6.920 -20.945 1.00 41.21 C
694
+ ATOM 690 O PRO A 98 22.310 7.241 -21.455 1.00 41.72 O
695
+ ATOM 691 CB PRO A 98 24.686 8.394 -19.396 1.00 41.17 C
696
+ ATOM 692 CG PRO A 98 25.354 8.176 -18.083 1.00 40.53 C
697
+ ATOM 693 CD PRO A 98 25.403 6.674 -17.890 1.00 40.35 C
698
+ ATOM 694 N SER A 99 24.324 6.251 -21.603 1.00 41.21 N
699
+ ATOM 695 CA SER A 99 24.233 5.964 -23.027 1.00 40.90 C
700
+ ATOM 696 C SER A 99 23.653 4.574 -23.326 1.00 41.48 C
701
+ ATOM 697 O SER A 99 23.682 4.119 -24.469 1.00 40.74 O
702
+ ATOM 698 CB SER A 99 25.619 6.120 -23.664 1.00 40.85 C
703
+ ATOM 699 OG SER A 99 26.525 5.138 -23.168 1.00 40.31 O
704
+ ATOM 700 N CYS A 100 23.114 3.917 -22.296 1.00 42.50 N
705
+ ATOM 701 CA CYS A 100 22.686 2.512 -22.355 1.00 43.68 C
706
+ ATOM 702 C CYS A 100 23.815 1.578 -22.779 1.00 43.65 C
707
+ ATOM 703 O CYS A 100 23.585 0.575 -23.455 1.00 43.27 O
708
+ ATOM 704 CB CYS A 100 21.444 2.336 -23.241 1.00 44.31 C
709
+ ATOM 705 SG CYS A 100 20.017 3.237 -22.606 1.00 47.74 S
710
+ ATOM 706 N TYR A 100A 25.036 1.941 -22.376 1.00 43.99 N
711
+ ATOM 707 CA TYR A 100A 26.269 1.182 -22.644 1.00 44.67 C
712
+ ATOM 708 C TYR A 100A 26.847 1.298 -24.069 1.00 44.53 C
713
+ ATOM 709 O TYR A 100A 27.952 0.812 -24.320 1.00 43.93 O
714
+ ATOM 710 CB TYR A 100A 26.160 -0.285 -22.170 1.00 45.23 C
715
+ ATOM 711 CG TYR A 100A 26.136 -0.372 -20.668 1.00 45.90 C
716
+ ATOM 712 CD1 TYR A 100A 24.943 -0.577 -19.987 1.00 47.10 C
717
+ ATOM 713 CD2 TYR A 100A 27.301 -0.182 -19.921 1.00 45.87 C
718
+ ATOM 714 CE1 TYR A 100A 24.908 -0.608 -18.595 1.00 46.90 C
719
+ ATOM 715 CE2 TYR A 100A 27.277 -0.216 -18.536 1.00 45.98 C
720
+ ATOM 716 CZ TYR A 100A 26.081 -0.433 -17.882 1.00 46.86 C
721
+ ATOM 717 OH TYR A 100A 26.042 -0.465 -16.509 1.00 47.61 O
722
+ ATOM 718 N SER A 100B 26.119 1.956 -24.977 1.00 44.57 N
723
+ ATOM 719 CA SER A 100B 26.623 2.194 -26.340 1.00 44.70 C
724
+ ATOM 720 C SER A 100B 27.981 2.894 -26.289 1.00 45.53 C
725
+ ATOM 721 O SER A 100B 28.915 2.494 -27.003 1.00 45.73 O
726
+ ATOM 722 CB SER A 100B 25.618 2.962 -27.206 1.00 44.12 C
727
+ ATOM 723 OG SER A 100B 25.368 4.254 -26.698 1.00 43.95 O
728
+ ATOM 724 N TYR A 100C 28.102 3.919 -25.444 1.00 45.92 N
729
+ ATOM 725 CA TYR A 100C 29.412 4.489 -25.171 1.00 47.23 C
730
+ ATOM 726 C TYR A 100C 30.140 3.575 -24.185 1.00 47.61 C
731
+ ATOM 727 O TYR A 100C 29.590 3.198 -23.152 1.00 47.29 O
732
+ ATOM 728 CB TYR A 100C 29.323 5.943 -24.679 1.00 48.04 C
733
+ ATOM 729 CG TYR A 100C 30.649 6.672 -24.700 1.00 49.09 C
734
+ ATOM 730 CD1 TYR A 100C 31.018 7.474 -25.786 1.00 49.18 C
735
+ ATOM 731 CD2 TYR A 100C 31.549 6.543 -23.632 1.00 50.56 C
736
+ ATOM 732 CE1 TYR A 100C 32.256 8.138 -25.797 1.00 49.81 C
737
+ ATOM 733 CE2 TYR A 100C 32.792 7.185 -23.634 1.00 50.28 C
738
+ ATOM 734 CZ TYR A 100C 33.139 7.983 -24.709 1.00 50.55 C
739
+ ATOM 735 OH TYR A 100C 34.368 8.612 -24.680 1.00 49.69 O
740
+ ATOM 736 N PRO A 100D 31.378 3.189 -24.523 1.00 48.59 N
741
+ ATOM 737 CA PRO A 100D 32.139 2.144 -23.841 1.00 49.35 C
742
+ ATOM 738 C PRO A 100D 32.351 2.305 -22.335 1.00 49.88 C
743
+ ATOM 739 O PRO A 100D 32.987 3.266 -21.896 1.00 50.07 O
744
+ ATOM 740 CB PRO A 100D 33.493 2.176 -24.562 1.00 49.20 C
745
+ ATOM 741 CG PRO A 100D 33.556 3.487 -25.205 1.00 48.96 C
746
+ ATOM 742 CD PRO A 100D 32.159 3.753 -25.635 1.00 49.03 C
747
+ ATOM 743 N SER A 100E 31.749 1.384 -21.582 1.00 50.49 N
748
+ ATOM 744 CA SER A 100E 32.172 0.952 -20.219 1.00 51.70 C
749
+ ATOM 745 C SER A 100E 31.244 0.891 -18.983 1.00 51.43 C
750
+ ATOM 746 O SER A 100E 30.943 -0.248 -18.581 1.00 52.47 O
751
+ ATOM 747 CB SER A 100E 33.616 1.288 -19.835 1.00 52.20 C
752
+ ATOM 748 OG SER A 100E 34.227 0.110 -19.306 1.00 54.24 O
753
+ ATOM 749 N LEU A 100F 30.791 1.978 -18.317 1.00 50.33 N
754
+ ATOM 750 CA LEU A 100F 31.005 3.454 -18.420 1.00 48.76 C
755
+ ATOM 751 C LEU A 100F 29.741 4.026 -17.733 1.00 47.06 C
756
+ ATOM 752 O LEU A 100F 28.707 4.253 -18.373 1.00 46.62 O
757
+ ATOM 753 CB LEU A 100F 31.106 4.019 -19.835 1.00 49.59 C
758
+ ATOM 754 CG LEU A 100F 31.517 5.509 -20.060 1.00 51.00 C
759
+ ATOM 755 CD1 LEU A 100F 30.593 6.557 -19.419 1.00 51.45 C
760
+ ATOM 756 CD2 LEU A 100F 32.997 5.799 -19.683 1.00 53.69 C
761
+ ATOM 757 N GLU A 100G 29.806 4.221 -16.423 1.00 44.35 N
762
+ ATOM 758 CA GLU A 100G 28.574 4.274 -15.657 1.00 41.90 C
763
+ ATOM 759 C GLU A 100G 28.389 5.482 -14.757 1.00 39.74 C
764
+ ATOM 760 O GLU A 100G 29.299 6.271 -14.529 1.00 38.81 O
765
+ ATOM 761 CB GLU A 100G 28.418 3.000 -14.816 1.00 42.23 C
766
+ ATOM 762 CG GLU A 100G 28.404 1.714 -15.594 1.00 43.03 C
767
+ ATOM 763 CD GLU A 100G 28.571 0.510 -14.703 1.00 46.25 C
768
+ ATOM 764 OE1 GLU A 100G 28.049 -0.570 -15.055 1.00 46.48 O
769
+ ATOM 765 OE2 GLU A 100G 29.234 0.637 -13.646 1.00 48.85 O
770
+ ATOM 766 N SER A 100H 27.168 5.584 -14.259 1.00 37.67 N
771
+ ATOM 767 CA SER A 100H 26.776 6.541 -13.261 1.00 36.52 C
772
+ ATOM 768 C SER A 100H 25.859 5.825 -12.261 1.00 35.01 C
773
+ ATOM 769 O SER A 100H 25.488 4.666 -12.462 1.00 34.21 O
774
+ ATOM 770 CB SER A 100H 26.069 7.716 -13.927 1.00 36.72 C
775
+ ATOM 771 OG SER A 100H 25.994 8.808 -13.029 1.00 38.54 O
776
+ ATOM 772 N ALA A 101 25.505 6.506 -11.178 1.00 33.73 N
777
+ ATOM 773 CA ALA A 101 24.534 5.966 -10.233 1.00 32.47 C
778
+ ATOM 774 C ALA A 101 23.566 7.036 -9.763 1.00 31.59 C
779
+ ATOM 775 O ALA A 101 23.885 8.224 -9.772 1.00 30.79 O
780
+ ATOM 776 CB ALA A 101 25.240 5.331 -9.028 1.00 32.06 C
781
+ ATOM 777 N VAL A 102 22.380 6.593 -9.363 1.00 30.97 N
782
+ ATOM 778 CA VAL A 102 21.402 7.451 -8.704 1.00 30.98 C
783
+ ATOM 779 C VAL A 102 20.961 6.746 -7.437 1.00 30.91 C
784
+ ATOM 780 O VAL A 102 20.983 5.509 -7.358 1.00 29.56 O
785
+ ATOM 781 CB VAL A 102 20.192 7.816 -9.614 1.00 31.21 C
786
+ ATOM 782 CG1 VAL A 102 20.586 8.928 -10.564 1.00 31.02 C
787
+ ATOM 783 CG2 VAL A 102 19.715 6.613 -10.414 1.00 31.26 C
788
+ ATOM 784 N GLU A 103 20.607 7.529 -6.429 1.00 31.27 N
789
+ ATOM 785 CA GLU A 103 20.174 6.943 -5.174 1.00 32.83 C
790
+ ATOM 786 C GLU A 103 18.799 7.450 -4.749 1.00 32.00 C
791
+ ATOM 787 O GLU A 103 18.421 8.574 -5.071 1.00 32.10 O
792
+ ATOM 788 CB GLU A 103 21.235 7.148 -4.085 1.00 32.52 C
793
+ ATOM 789 CG GLU A 103 21.405 8.574 -3.592 1.00 36.14 C
794
+ ATOM 790 CD GLU A 103 22.606 8.736 -2.636 1.00 36.42 C
795
+ ATOM 791 OE1 GLU A 103 22.566 9.622 -1.747 1.00 39.39 O
796
+ ATOM 792 OE2 GLU A 103 23.583 7.973 -2.780 1.00 43.01 O
797
+ ATOM 793 N GLY A 104 18.066 6.599 -4.040 1.00 31.47 N
798
+ ATOM 794 CA GLY A 104 16.769 6.934 -3.446 1.00 30.91 C
799
+ ATOM 795 C GLY A 104 16.888 7.998 -2.372 1.00 30.67 C
800
+ ATOM 796 O GLY A 104 17.987 8.286 -1.884 1.00 29.05 O
801
+ ATOM 797 N ALA A 105 15.751 8.606 -2.029 1.00 30.86 N
802
+ ATOM 798 CA ALA A 105 15.706 9.629 -0.970 1.00 31.34 C
803
+ ATOM 799 C ALA A 105 15.997 9.077 0.430 1.00 31.50 C
804
+ ATOM 800 O ALA A 105 16.283 9.838 1.356 1.00 32.12 O
805
+ ATOM 801 CB ALA A 105 14.353 10.361 -0.984 1.00 31.18 C
806
+ ATOM 802 N GLY A 106 15.928 7.758 0.587 1.00 31.10 N
807
+ ATOM 803 CA GLY A 106 16.132 7.128 1.881 1.00 31.08 C
808
+ ATOM 804 C GLY A 106 14.832 6.746 2.570 1.00 31.36 C
809
+ ATOM 805 O GLY A 106 13.747 7.247 2.221 1.00 31.50 O
810
+ ATOM 806 N THR A 107 14.948 5.841 3.539 1.00 31.34 N
811
+ ATOM 807 CA THR A 107 13.828 5.388 4.337 1.00 32.08 C
812
+ ATOM 808 C THR A 107 14.293 5.473 5.780 1.00 32.15 C
813
+ ATOM 809 O THR A 107 15.248 4.804 6.159 1.00 32.31 O
814
+ ATOM 810 CB THR A 107 13.455 3.918 4.018 1.00 32.19 C
815
+ ATOM 811 OG1 THR A 107 12.969 3.820 2.683 1.00 32.39 O
816
+ ATOM 812 CG2 THR A 107 12.364 3.376 4.977 1.00 32.95 C
817
+ ATOM 813 N VAL A 108 13.612 6.283 6.579 1.00 32.37 N
818
+ ATOM 814 CA VAL A 108 13.903 6.380 8.003 1.00 32.33 C
819
+ ATOM 815 C VAL A 108 13.045 5.358 8.736 1.00 32.19 C
820
+ ATOM 816 O VAL A 108 11.833 5.526 8.876 1.00 32.65 O
821
+ ATOM 817 CB VAL A 108 13.622 7.815 8.527 1.00 32.94 C
822
+ ATOM 818 CG1 VAL A 108 14.012 7.947 10.009 1.00 31.82 C
823
+ ATOM 819 CG2 VAL A 108 14.360 8.843 7.658 1.00 31.70 C
824
+ ATOM 820 N LEU A 109 13.676 4.287 9.189 1.00 32.16 N
825
+ ATOM 821 CA LEU A 109 12.974 3.223 9.878 1.00 32.14 C
826
+ ATOM 822 C LEU A 109 13.190 3.352 11.378 1.00 32.64 C
827
+ ATOM 823 O LEU A 109 14.325 3.547 11.846 1.00 32.21 O
828
+ ATOM 824 CB LEU A 109 13.439 1.839 9.383 1.00 31.43 C
829
+ ATOM 825 CG LEU A 109 12.946 0.662 10.230 1.00 32.72 C
830
+ ATOM 826 CD1 LEU A 109 11.431 0.418 10.018 1.00 34.22 C
831
+ ATOM 827 CD2 LEU A 109 13.754 -0.629 10.010 1.00 31.63 C
832
+ ATOM 828 N THR A 110 12.089 3.238 12.113 1.00 33.04 N
833
+ ATOM 829 CA THR A 110 12.091 3.199 13.570 1.00 33.69 C
834
+ ATOM 830 C THR A 110 11.498 1.872 13.989 1.00 33.84 C
835
+ ATOM 831 O THR A 110 10.368 1.575 13.648 1.00 33.21 O
836
+ ATOM 832 CB THR A 110 11.231 4.324 14.151 1.00 34.00 C
837
+ ATOM 833 OG1 THR A 110 11.735 5.583 13.692 1.00 33.81 O
838
+ ATOM 834 CG2 THR A 110 11.259 4.289 15.672 1.00 33.75 C
839
+ ATOM 835 N VAL A 111 12.283 1.060 14.694 1.00 34.93 N
840
+ ATOM 836 CA VAL A 111 11.795 -0.217 15.201 1.00 35.52 C
841
+ ATOM 837 C VAL A 111 11.440 -0.093 16.684 1.00 36.65 C
842
+ ATOM 838 O VAL A 111 12.300 0.208 17.542 1.00 36.75 O
843
+ ATOM 839 CB VAL A 111 12.768 -1.396 14.945 1.00 35.50 C
844
+ ATOM 840 CG1 VAL A 111 12.172 -2.686 15.474 1.00 35.33 C
845
+ ATOM 841 CG2 VAL A 111 13.055 -1.535 13.468 1.00 34.27 C
846
+ ATOM 842 N LYS A 112 10.138 -0.246 16.914 1.00 37.52 N
847
+ ATOM 843 CA LYS A 112 9.459 -0.353 18.208 1.00 38.35 C
848
+ ATOM 844 C LYS A 112 9.328 0.953 18.966 1.00 38.76 C
849
+ ATOM 845 O LYS A 112 8.570 1.859 18.532 1.00 39.72 O
850
+ ATOM 846 CB LYS A 112 9.944 -1.576 19.032 1.00 38.00 C
851
+ ATOM 847 CG LYS A 112 10.094 -1.360 20.529 1.00 38.54 C
852
+ ATOM 848 CD LYS A 112 10.458 -2.651 21.259 1.00 39.14 C
853
+ ATOM 849 CE LYS A 112 9.327 -3.155 22.118 1.00 41.69 C
854
+ ATOM 850 NZ LYS A 112 7.970 -2.848 21.574 1.00 43.48 N
855
+ HETATM 851 O HOH A 113 17.244 9.408 -7.276 1.00 25.79 O
856
+ HETATM 852 O HOH A 114 28.387 -1.492 -4.908 1.00 31.03 O
857
+ HETATM 853 O HOH A 115 17.691 7.084 11.017 1.00 36.88 O
858
+ HETATM 854 O HOH A 116 23.611 -4.349 -1.245 1.00 27.82 O
859
+ HETATM 855 O HOH A 117 22.356 5.679 4.742 1.00 42.73 O
860
+ HETATM 856 O HOH A 118 12.719 -8.421 -1.416 1.00 43.76 O
861
+ HETATM 857 O HOH A 119 19.040 1.109 17.046 1.00 48.07 O
862
+ HETATM 858 O HOH A 120 19.013 12.037 -10.461 1.00 43.54 O
863
+ HETATM 859 O HOH A 121 19.312 -3.829 9.470 1.00 34.12 O
864
+ HETATM 860 O HOH A 122 4.811 4.602 10.263 1.00 48.82 O
865
+ HETATM 861 O HOH A 123 18.375 9.331 -17.690 1.00 47.32 O
866
+ HETATM 862 O HOH A 124 13.533 8.593 -3.771 1.00 24.60 O
867
+ HETATM 863 O HOH A 125 10.247 6.699 -15.828 1.00 46.25 O
868
+ HETATM 864 O HOH A 126 5.185 -7.239 9.076 1.00 43.12 O
869
+ HETATM 865 O HOH A 127 29.125 1.583 -2.631 1.00 29.27 O
870
+ HETATM 866 O HOH A 128 6.553 7.153 1.324 1.00 43.46 O
871
+ HETATM 867 O HOH A 129 10.905 6.436 11.343 1.00 31.37 O
872
+ HETATM 868 O HOH A 130 9.124 3.022 -4.592 1.00 43.32 O
873
+ HETATM 869 O HOH A 131 6.756 -3.140 4.629 1.00 43.22 O
874
+ HETATM 870 O HOH A 132 21.013 10.285 -6.959 1.00 31.10 O
875
+ HETATM 871 O HOH A 133 17.966 11.052 -4.170 1.00 39.75 O
876
+ HETATM 872 O HOH A 134 14.113 -11.172 4.420 1.00 28.04 O
877
+ HETATM 873 O HOH A 135 8.852 -12.492 13.671 1.00 59.99 O
878
+ HETATM 874 O HOH A 136 30.018 6.563 6.329 1.00 40.18 O
879
+ HETATM 875 O HOH A 137 19.290 -10.661 -6.851 1.00 49.00 O
880
+ HETATM 876 O HOH A 138 15.777 5.773 12.711 1.00 30.91 O
881
+ HETATM 877 O HOH A 139 6.401 8.936 -7.019 1.00 52.84 O
882
+ HETATM 878 O HOH A 140 8.552 3.617 -14.496 1.00 56.96 O
883
+ HETATM 879 O HOH A 141 7.336 -1.280 0.230 1.00 41.51 O
884
+ HETATM 880 O HOH A 142 20.491 6.973 11.040 1.00 36.02 O
885
+ HETATM 881 O HOH A 143 13.598 -14.255 6.245 1.00 41.56 O
886
+ HETATM 882 O HOH A 144 25.004 -6.490 6.086 1.00 46.71 O
887
+ HETATM 883 O HOH A 145 5.293 -5.553 0.439 1.00 62.19 O
888
+ HETATM 884 O HOH A 146 11.289 -5.417 -6.646 1.00 42.32 O
889
+ HETATM 885 O HOH A 147 20.799 -4.947 13.039 1.00 45.36 O
890
+ HETATM 886 O HOH A 148 24.114 3.517 16.829 1.00 37.85 O
891
+ HETATM 887 O HOH A 149 29.556 -2.944 -21.859 1.00 42.29 O
892
+ HETATM 888 O HOH A 150 22.250 -5.430 -3.688 1.00 37.26 O
893
+ HETATM 889 O HOH A 151 23.152 -10.447 7.457 1.00 56.48 O
894
+ HETATM 890 O HOH A 152 22.012 -0.876 -19.721 1.00 60.44 O
895
+ HETATM 891 O HOH A 153 20.676 -0.268 11.595 1.00 48.13 O
896
+ HETATM 892 O HOH A 154 3.748 0.110 14.136 1.00 50.46 O
897
+ HETATM 893 O HOH A 155 10.603 -10.696 -9.357 1.00 51.68 O
898
+ HETATM 894 O HOH A 156 24.126 7.310 -5.592 1.00 53.50 O
899
+ HETATM 895 O HOH A 157 16.839 10.711 4.715 1.00 40.89 O
900
+ HETATM 896 O HOH A 158 21.881 8.550 12.771 1.00 37.22 O
901
+ HETATM 897 O HOH A 159 20.713 -9.508 -9.069 1.00 58.35 O
902
+ HETATM 898 O HOH A 160 29.158 -2.829 -15.916 1.00 56.34 O
903
+ HETATM 899 O HOH A 161 20.941 -9.664 -4.888 1.00 52.02 O
904
+ HETATM 900 O HOH A 162 -1.335 7.929 -1.509 1.00 55.31 O
905
+ HETATM 901 O HOH A 163 21.449 1.844 -18.159 1.00 32.10 O
906
+ HETATM 902 O HOH A 164 28.161 -8.251 17.270 1.00 50.62 O
907
+ HETATM 903 O HOH A 165 18.115 -12.001 -14.971 1.00 68.63 O
908
+ HETATM 904 O HOH A 166 21.437 -10.131 -13.862 1.00 61.78 O
909
+ HETATM 905 O HOH A 167 17.608 7.692 -21.025 1.00 59.80 O
910
+ HETATM 906 O HOH A 168 23.433 -10.296 18.623 1.00 52.94 O
911
+ HETATM 907 O HOH A 169 29.416 4.132 -1.515 1.00 36.51 O
912
+ HETATM 908 O HOH A 170 -2.022 -6.040 25.168 1.00 54.61 O
913
+ HETATM 909 O HOH A 171 13.141 1.638 -20.999 1.00 50.45 O
914
+ HETATM 910 O HOH A 172 10.432 -3.977 -23.200 1.00 65.16 O
915
+ HETATM 911 O HOH A 173 23.608 15.971 11.839 1.00 59.00 O
916
+ HETATM 912 O HOH A 174 26.769 -4.815 -3.461 1.00 48.90 O
917
+ HETATM 913 O HOH A 175 9.689 8.396 15.186 1.00 46.59 O
918
+ HETATM 914 O HOH A 176 6.637 -6.354 4.705 1.00 55.63 O
919
+ HETATM 915 O HOH A 177 18.587 -7.740 -19.807 1.00 46.95 O
920
+ HETATM 916 O HOH A 178 8.305 6.599 11.441 1.00 51.35 O
921
+ HETATM 917 O HOH A 179 25.519 -8.554 -1.483 1.00 36.82 O
922
+ HETATM 918 O HOH A 180 20.139 -8.439 -17.797 1.00 58.79 O
923
+ HETATM 919 O HOH A 181 17.470 -6.460 20.137 1.00 53.43 O
924
+ HETATM 920 O HOH A 182 23.444 -6.027 -8.093 1.00 39.91 O
925
+ HETATM 921 O HOH A 183 12.346 -7.436 -19.704 1.00 58.40 O
926
+ HETATM 922 O HOH A 184 24.454 0.142 -7.024 1.00 41.66 O
927
+ HETATM 923 O HOH A 185 13.455 11.625 -4.606 1.00 32.33 O
928
+ HETATM 924 O HOH A 186 7.501 8.818 -3.949 1.00 34.29 O
929
+ HETATM 925 O HOH A 187 21.017 -11.469 8.489 1.00 41.28 O
930
+ HETATM 926 O HOH A 188 30.786 0.247 -26.037 1.00 52.83 O
931
+ HETATM 927 O HOH A 189 25.554 -12.410 2.920 1.00 53.93 O
932
+ HETATM 928 O HOH A 190 6.446 7.569 4.054 1.00 45.16 O
933
+ HETATM 929 O HOH A 191 26.419 1.752 13.792 1.00 34.64 O
934
+ HETATM 930 O HOH A 192 13.683 -10.061 -13.339 1.00 54.34 O
935
+ HETATM 931 O HOH A 193 5.041 -1.425 5.557 1.00 57.32 O
936
+ HETATM 932 O HOH A 194 25.478 6.859 -27.588 1.00 41.09 O
937
+ HETATM 933 O HOH A 195 22.525 -11.940 -21.067 1.00 60.82 O
938
+ HETATM 934 O HOH A 196 16.922 9.624 12.040 1.00 44.57 O
939
+ HETATM 935 O HOH A 197 17.845 -12.436 -1.301 1.00 45.94 O
940
+ HETATM 936 O HOH A 198 18.062 13.311 -16.934 1.00 45.12 O
941
+ HETATM 937 O HOH A 199 27.733 12.722 -14.094 1.00 54.33 O
942
+ HETATM 938 O HOH A 200 11.705 10.498 9.084 1.00 50.75 O
943
+ HETATM 939 O HOH A 201 24.524 -14.406 1.585 1.00 48.00 O
944
+ HETATM 940 O HOH A 202 4.758 -1.634 21.864 1.00 62.94 O
945
+ HETATM 941 O HOH A 203 22.698 -9.070 -17.872 1.00 48.33 O
946
+ HETATM 942 O HOH A 204 24.558 15.117 -11.954 1.00 55.11 O
947
+ HETATM 943 O HOH A 205 11.447 9.423 11.419 1.00 44.82 O
948
+ HETATM 944 O HOH A 206 13.472 7.276 -23.890 1.00 61.86 O
949
+ HETATM 945 O HOH A 207 27.041 9.123 -10.436 1.00 35.62 O
950
+ HETATM 946 O HOH A 208 17.391 -8.632 -22.040 1.00 63.27 O
951
+ HETATM 947 O HOH A 209 21.115 -6.309 -8.395 1.00 44.11 O
952
+ HETATM 948 O HOH A 210 26.407 6.135 -1.254 1.00 58.31 O
953
+ HETATM 949 O HOH A 211 30.069 -0.319 -22.830 1.00 50.09 O
954
+ HETATM 950 O HOH A 212 25.646 -0.887 13.100 1.00 61.04 O
955
+ HETATM 951 O HOH A 213 4.501 4.781 6.506 1.00 53.05 O
956
+ HETATM 952 O HOH A 214 7.447 4.305 -6.630 1.00 53.78 O
957
+ HETATM 953 O HOH A 215 2.937 2.869 2.812 1.00 61.00 O
958
+ HETATM 954 O HOH A 216 14.825 -5.878 19.317 1.00 47.17 O
959
+ HETATM 955 O HOH A 217 27.494 6.167 -20.924 1.00 46.62 O
960
+ HETATM 956 O HOH A 218 0.168 -1.138 -1.705 1.00 58.61 O
961
+ HETATM 957 O HOH A 219 -4.223 -1.090 2.384 1.00 50.33 O
962
+ HETATM 958 O HOH A 220 25.671 6.612 -30.891 1.00 53.22 O
963
+ HETATM 959 O HOH A 221 27.129 8.696 -26.636 1.00 54.51 O
964
+ HETATM 960 O HOH A 222 21.772 8.872 7.642 1.00 54.21 O
965
+ HETATM 961 O HOH A 223 16.022 -10.865 -12.396 1.00 53.35 O
966
+ HETATM 962 O HOH A 224 35.113 -1.835 -22.225 0.50 48.84 O
967
+ HETATM 963 O HOH A 225 29.993 -9.608 3.867 1.00 62.36 O
968
+ HETATM 964 O HOH A 226 25.758 2.571 11.126 1.00 31.25 O
969
+ HETATM 965 O HOH A 227 27.890 -1.776 -7.803 1.00 56.34 O
970
+ HETATM 966 O HOH A 228 26.719 -3.140 12.242 1.00 55.87 O
971
+ HETATM 967 O HOH A 229 19.555 8.550 2.671 1.00 57.46 O
972
+ HETATM 968 O HOH A 230 15.786 -11.059 -8.010 1.00 50.63 O
973
+ HETATM 969 O HOH A 231 17.933 10.352 7.924 1.00 53.43 O
sabdab_dataset/4al8/abangle/4al8.abangle ADDED
@@ -0,0 +1,2 @@
 
 
 
1
+ pdb Hchain Lchain model HL HC1 HC2 LC1 LC2 dc
2
+ 4al8 H L 0 -58.24 71.46 112.76 118.18 81.71 16.08
sabdab_dataset/4al8/annotation/4al8_H_VH.ann ADDED
@@ -0,0 +1,117 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ H1 D
2
+ H2 V
3
+ H3 Q
4
+ H4 L
5
+ H5 V
6
+ H6 E
7
+ H7 P
8
+ H8 G
9
+ H9 A
10
+ H10 E
11
+ H11 L
12
+ H12 V
13
+ H13 Q
14
+ H14 P
15
+ H15 G
16
+ H16 A
17
+ H17 S
18
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19
+ H19 K
20
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21
+ H21 S
22
+ H22 C
23
+ H23 K
24
+ H24 A
25
+ H25 S
26
+ H26 G
27
+ H27 Y
28
+ H28 T
29
+ H29 F
30
+ H30 S
31
+ H31 S
32
+ H32 Y
33
+ H33 W
34
+ H34 I
35
+ H35 N
36
+ H36 W
37
+ H37 E
38
+ H38 K
39
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40
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41
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42
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43
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44
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45
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46
+ H46 E
47
+ H47 W
48
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49
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50
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51
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52
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53
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54
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55
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56
+ H55 G
57
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58
+ H57 V
59
+ H58 N
60
+ H59 Y
61
+ H60 D
62
+ H61 D
63
+ H62 K
64
+ H63 F
65
+ H64 K
66
+ H65 S
67
+ H66 K
68
+ H67 A
69
+ H68 T
70
+ H69 L
71
+ H70 T
72
+ H71 I
73
+ H72 D
74
+ H73 T
75
+ H74 S
76
+ H75 S
77
+ H76 N
78
+ H77 T
79
+ H78 A
80
+ H79 Y
81
+ H80 M
82
+ H81 Q
83
+ H82 L
84
+ H82A S
85
+ H82B S
86
+ H82C L
87
+ H83 T
88
+ H84 S
89
+ H85 E
90
+ H86 D
91
+ H87 S
92
+ H88 A
93
+ H89 V
94
+ H90 Y
95
+ H91 Y
96
+ H92 C
97
+ H93 T
98
+ H94 R
99
+ H95 G
100
+ H96 G
101
+ H97 S
102
+ H98 H
103
+ H99 A
104
+ H100 M
105
+ H101 D
106
+ H102 Y
107
+ H103 W
108
+ H104 G
109
+ H105 Q
110
+ H106 G
111
+ H107 T
112
+ H108 S
113
+ H109 V
114
+ H110 T
115
+ H111 V
116
+ H112 S
117
+ H113 S
sabdab_dataset/4al8/annotation/4al8_L_VL.ann ADDED
@@ -0,0 +1,109 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ L1 D
2
+ L2 I
3
+ L3 V
4
+ L4 M
5
+ L5 T
6
+ L6 Q
7
+ L7 S
8
+ L8 Q
9
+ L9 K
10
+ L10 F
11
+ L11 M
12
+ L12 S
13
+ L13 T
14
+ L14 S
15
+ L15 V
16
+ L16 G
17
+ L17 D
18
+ L18 R
19
+ L19 V
20
+ L20 S
21
+ L21 I
22
+ L22 T
23
+ L23 C
24
+ L24 K
25
+ L25 A
26
+ L26 S
27
+ L27 Q
28
+ L28 N
29
+ L29 V
30
+ L30 R
31
+ L31 T
32
+ L32 S
33
+ L33 V
34
+ L34 A
35
+ L35 W
36
+ L36 Y
37
+ L37 Q
38
+ L38 Q
39
+ L39 K
40
+ L40 P
41
+ L41 G
42
+ L42 Q
43
+ L43 S
44
+ L44 P
45
+ L45 K
46
+ L46 A
47
+ L47 L
48
+ L48 I
49
+ L49 Y
50
+ L50 L
51
+ L51 A
52
+ L52 S
53
+ L53 N
54
+ L54 R
55
+ L55 H
56
+ L56 T
57
+ L57 G
58
+ L58 V
59
+ L59 P
60
+ L60 D
61
+ L61 R
62
+ L62 F
63
+ L63 T
64
+ L64 G
65
+ L65 S
66
+ L66 G
67
+ L67 S
68
+ L68 G
69
+ L69 T
70
+ L70 D
71
+ L71 F
72
+ L72 T
73
+ L73 L
74
+ L74 T
75
+ L75 I
76
+ L76 S
77
+ L77 N
78
+ L78 V
79
+ L79 Q
80
+ L80 S
81
+ L81 E
82
+ L82 D
83
+ L83 L
84
+ L84 A
85
+ L85 D
86
+ L86 Y
87
+ L87 F
88
+ L88 C
89
+ L89 L
90
+ L90 Q
91
+ L91 H
92
+ L92 W
93
+ L93 T
94
+ L94 Y
95
+ L95 P
96
+ L96 Y
97
+ L97 T
98
+ L98 F
99
+ L99 G
100
+ L100 G
101
+ L101 G
102
+ L102 T
103
+ L103 K
104
+ L104 L
105
+ L105 E
106
+ L106 I
107
+ L107 K
108
+ L108 R
109
+ L109 A
sabdab_dataset/4al8/imgt/4al8_H_H.ann ADDED
@@ -0,0 +1,4 @@
 
 
 
 
 
1
+ gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
2
+ C Mus_Musculus IGHG2B*02 IG IGHC ? IGHG2B IGg False
3
+ J Mus_Musculus IGHJ4*01 IG IGHJ ? IGHJ4 NA False
4
+ V Mus_Musculus IGHV1-55*01 IG IGHV IGHV1 IGHV1-55 NA False
sabdab_dataset/4al8/imgt/4al8_L_L.ann ADDED
@@ -0,0 +1,4 @@
 
 
 
 
 
1
+ gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
2
+ C Mus_Musculus IGKC*03 IG IGKC ? IGKC NA False
3
+ J Mus_Musculus IGKJ2*01 IG IGKJ ? IGKJ2 NA False
4
+ V Mus_Musculus IGKV6-14*01 IG IGKV IGKV6 IGKV6-14 NA False
sabdab_dataset/4al8/sequence/4al8_H_VH.fa ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ >4al8_H|seqres|full
2
+ DVQLVEPGAELVQPGASVKMSCKASGYTFSSYWINWEKQRPGKGLEWIGNIYPGSGTVNYDDKFKSKATLTIDTSSNTAYMQLSSLTSEDSAVYYCTRGGSHAMDYWGQGTSVTVSSAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEPR
3
+ >4al8_H|seqres|region: H
4
+ DVQLVEPGAELVQPGASVKMSCKASGYTFSSYWINWEKQRPGKGLEWIGNIYPGSGTVNYDDKFKSKATLTIDTSSNTAYMQLSSLTSEDSAVYYCTRGGSHAMDYWGQGTSVTVSS----------------------------------------------------------------------------------------------------
5
+ >4al8_H|structure|full
6
+ DVQLVEPGAELVQPGASVKMSCKASGYTFSSYWINWEKQRPGKGLEWIGNIYPGSGTVNYDDKFKSKATLTIDTSSNTAYMQLSSLTSEDSAVYYCTRGGSHAMDYWGQGTSVTVSSAKTTPPSVYPLAPG----TGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEP-
sabdab_dataset/4al8/sequence/4al8_L_VL.fa ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ >4al8_L|seqres|full
2
+ DIVMTQSQKFMSTSVGDRVSITCKASQNVRTSVAWYQQKPGQSPKALIYLASNRHTGVPDRFTGSGSGTDFTLTISNVQSEDLADYFCLQHWTYPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNE
3
+ >4al8_L|seqres|region: L
4
+ DIVMTQSQKFMSTSVGDRVSITCKASQNVRTSVAWYQQKPGQSPKALIYLASNRHTGVPDRFTGSGSGTDFTLTISNVQSEDLADYFCLQHWTYPYTFGGGTKLEIKRA--------------------------------------------------------------------------------------------------------
5
+ >4al8_L|structure|full
6
+ DIVMTQSQKFMSTSVGDRVSITCKASQNVRTSVAWYQQKPGQSPKALIYLASNRHTGVPDRFTGSGSGTDFTLTISNVQSEDLADYFCLQHWTYPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNE
sabdab_dataset/4al8/sequence/4al8_raw.pdb ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ >4al8_H|type: H
2
+ DVQLVEPGAELVQPGASVKMSCKASGYTFSSYWINWEKQRPGKGLEWIGNIYPGSGTVNYDDKFKSKATLTIDTSSNTAYMQLSSLTSEDSAVYYCTRGGSHAMDYWGQGTSVTVSSAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEPR
3
+ >4al8_C|type: non-ab
4
+ KGMSYVMCTGSFKLEKEVAETQHGTVLVQVKYEGTDAPCKIPFSSQDEKGVTQNGRLITANPIVTDKEKPVNIEAEPPFGESYIVVGAGEKALKLSWFKKG
5
+ >4al8_L|type: L
6
+ DIVMTQSQKFMSTSVGDRVSITCKASQNVRTSVAWYQQKPGQSPKALIYLASNRHTGVPDRFTGSGSGTDFTLTISNVQSEDLADYFCLQHWTYPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNE
sabdab_dataset/4al8/structure/4al8.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_dataset/4al8/structure/chothia/4al8.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_dataset/4kdt/annotation/4kdt_A_VH.ann ADDED
@@ -0,0 +1,128 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ H1 Q
2
+ H2 V
3
+ H3 Q
4
+ H4 L
5
+ H5 Q
6
+ H6 E
7
+ H7 S
8
+ H8 G
9
+ H9 G
10
+ H10 G
11
+ H11 S
12
+ H12 V
13
+ H13 Q
14
+ H14 A
15
+ H15 G
16
+ H16 G
17
+ H17 S
18
+ H18 L
19
+ H19 R
20
+ H20 L
21
+ H21 S
22
+ H22 C
23
+ H23 A
24
+ H24 A
25
+ H25 S
26
+ H26 G
27
+ H27 Y
28
+ H28 T
29
+ H29 D
30
+ H30 S
31
+ H31 R
32
+ H32 Y
33
+ H33 C
34
+ H34 M
35
+ H35 A
36
+ H36 W
37
+ H37 F
38
+ H38 R
39
+ H39 Q
40
+ H40 A
41
+ H41 P
42
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43
+ H43 K
44
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45
+ H45 R
46
+ H46 E
47
+ H47 W
48
+ H48 V
49
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50
+ H50 R
51
+ H51 I
52
+ H52 N
53
+ H52A S
54
+ H53 G
55
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56
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57
+ H56 I
58
+ H57 T
59
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60
+ H59 Y
61
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62
+ H61 D
63
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64
+ H63 V
65
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66
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67
+ H66 R
68
+ H67 F
69
+ H68 T
70
+ H69 F
71
+ H70 S
72
+ H71 Q
73
+ H72 D
74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
+ H82A D
85
+ H82B S
86
+ H82C L
87
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88
+ H84 P
89
+ H85 E
90
+ H86 D
91
+ H87 T
92
+ H88 A
93
+ H89 T
94
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95
+ H91 Y
96
+ H92 C
97
+ H93 A
98
+ H94 T
99
+ H95 D
100
+ H96 I
101
+ H97 P
102
+ H98 L
103
+ H99 R
104
+ H100 C
105
+ H100A R
106
+ H100B D
107
+ H100C I
108
+ H100D V
109
+ H100E A
110
+ H100F K
111
+ H100G G
112
+ H100H G
113
+ H100I D
114
+ H100J G
115
+ H100K F
116
+ H101 R
117
+ H102 Y
118
+ H103 W
119
+ H104 G
120
+ H105 Q
121
+ H106 G
122
+ H107 T
123
+ H108 Q
124
+ H109 V
125
+ H110 T
126
+ H111 V
127
+ H112 S
128
+ H113 S
sabdab_dataset/4kdt/annotation/4kdt_B_VH.ann ADDED
@@ -0,0 +1,128 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ H1 Q
2
+ H2 V
3
+ H3 Q
4
+ H4 L
5
+ H5 Q
6
+ H6 E
7
+ H7 S
8
+ H8 G
9
+ H9 G
10
+ H10 G
11
+ H11 S
12
+ H12 V
13
+ H13 Q
14
+ H14 A
15
+ H15 G
16
+ H16 G
17
+ H17 S
18
+ H18 L
19
+ H19 R
20
+ H20 L
21
+ H21 S
22
+ H22 C
23
+ H23 A
24
+ H24 A
25
+ H25 S
26
+ H26 G
27
+ H27 Y
28
+ H28 T
29
+ H29 D
30
+ H30 S
31
+ H31 R
32
+ H32 Y
33
+ H33 C
34
+ H34 M
35
+ H35 A
36
+ H36 W
37
+ H37 F
38
+ H38 R
39
+ H39 Q
40
+ H40 A
41
+ H41 P
42
+ H42 G
43
+ H43 K
44
+ H44 E
45
+ H45 R
46
+ H46 E
47
+ H47 W
48
+ H48 V
49
+ H49 A
50
+ H50 R
51
+ H51 I
52
+ H52 N
53
+ H52A S
54
+ H53 G
55
+ H54 R
56
+ H55 D
57
+ H56 I
58
+ H57 T
59
+ H58 Y
60
+ H59 Y
61
+ H60 A
62
+ H61 D
63
+ H62 S
64
+ H63 V
65
+ H64 K
66
+ H65 G
67
+ H66 R
68
+ H67 F
69
+ H68 T
70
+ H69 F
71
+ H70 S
72
+ H71 Q
73
+ H72 D
74
+ H73 N
75
+ H74 A
76
+ H75 K
77
+ H76 N
78
+ H77 T
79
+ H78 V
80
+ H79 Y
81
+ H80 L
82
+ H81 Q
83
+ H82 M
84
+ H82A D
85
+ H82B S
86
+ H82C L
87
+ H83 E
88
+ H84 P
89
+ H85 E
90
+ H86 D
91
+ H87 T
92
+ H88 A
93
+ H89 T
94
+ H90 Y
95
+ H91 Y
96
+ H92 C
97
+ H93 A
98
+ H94 T
99
+ H95 D
100
+ H96 I
101
+ H97 P
102
+ H98 L
103
+ H99 R
104
+ H100 C
105
+ H100A R
106
+ H100B D
107
+ H100C I
108
+ H100D V
109
+ H100E A
110
+ H100F K
111
+ H100G G
112
+ H100H G
113
+ H100I D
114
+ H100J G
115
+ H100K F
116
+ H101 R
117
+ H102 Y
118
+ H103 W
119
+ H104 G
120
+ H105 Q
121
+ H106 G
122
+ H107 T
123
+ H108 Q
124
+ H109 V
125
+ H110 T
126
+ H111 V
127
+ H112 S
128
+ H113 S
sabdab_dataset/4kdt/imgt/4kdt_A_H.ann ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
2
+ J Lamgla IGHJ4*01 IG IGHJ ? IGHJ4 NA False
3
+ V Lamgla IGHV1S1*01 IG IGHV IGHV1 IGHV1S1 NA False
sabdab_dataset/4kdt/imgt/4kdt_B_H.ann ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
2
+ J Lamgla IGHJ4*01 IG IGHJ ? IGHJ4 NA False
3
+ V Lamgla IGHV1S1*01 IG IGHV IGHV1 IGHV1S1 NA False
sabdab_dataset/4kdt/sequence/4kdt_A_VH.fa ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ >4kdt_A|seqres|full
2
+ QVQLQESGGGSVQAGGSLRLSCAASGYTDSRYCMAWFRQAPGKEREWVARINSGRDITYYADSVKGRFTFSQDNAKNTVYLQMDSLEPEDTATYYCATDIPLRCRDIVAKGGDGFRYWGQGTQVTVSSHHHHHH
3
+ >4kdt_A|seqres|region: H
4
+ QVQLQESGGGSVQAGGSLRLSCAASGYTDSRYCMAWFRQAPGKEREWVARINSGRDITYYADSVKGRFTFSQDNAKNTVYLQMDSLEPEDTATYYCATDIPLRCRDIVAKGGDGFRYWGQGTQVTVSS------
5
+ >4kdt_A|structure|full
6
+ QVQLQESGGGSVQAGGSLRLSCAASGYTDSRYCMAWFRQAPGKEREWVARINSGRDITYYADSVKGRFTFSQDNAKNTVYLQMDSLEPEDTATYYCATDIPLRCRDIVAKGGDGFRYWGQGTQVTVSSH-----
sabdab_dataset/4kdt/sequence/4kdt_B_VH.fa ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ >4kdt_B|seqres|full
2
+ QVQLQESGGGSVQAGGSLRLSCAASGYTDSRYCMAWFRQAPGKEREWVARINSGRDITYYADSVKGRFTFSQDNAKNTVYLQMDSLEPEDTATYYCATDIPLRCRDIVAKGGDGFRYWGQGTQVTVSSHHHHHH
3
+ >4kdt_B|seqres|region: H
4
+ QVQLQESGGGSVQAGGSLRLSCAASGYTDSRYCMAWFRQAPGKEREWVARINSGRDITYYADSVKGRFTFSQDNAKNTVYLQMDSLEPEDTATYYCATDIPLRCRDIVAKGGDGFRYWGQGTQVTVSS------
5
+ >4kdt_B|structure|full
6
+ QVQLQESGGGSVQAGGSLRLSCAASGYTDSRYCMAWFRQAPGKEREWVARINSGRDITYYADSVKGRFTFSQDNAKNTVYLQMDSLEPEDTATYYCATDIPLRCRDIVAKGGDGFRYWGQGTQVTVSS------
sabdab_dataset/4kdt/sequence/4kdt_raw.pdb ADDED
@@ -0,0 +1,8 @@
 
 
 
 
 
 
 
 
 
1
+ >4kdt_A|type: H
2
+ QVQLQESGGGSVQAGGSLRLSCAASGYTDSRYCMAWFRQAPGKEREWVARINSGRDITYYADSVKGRFTFSQDNAKNTVYLQMDSLEPEDTATYYCATDIPLRCRDIVAKGGDGFRYWGQGTQVTVSSHHHHHH
3
+ >4kdt_C|type: non-ab
4
+ MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHGSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM
5
+ >4kdt_B|type: H
6
+ QVQLQESGGGSVQAGGSLRLSCAASGYTDSRYCMAWFRQAPGKEREWVARINSGRDITYYADSVKGRFTFSQDNAKNTVYLQMDSLEPEDTATYYCATDIPLRCRDIVAKGGDGFRYWGQGTQVTVSSHHHHHH
7
+ >4kdt_D|type: non-ab
8
+ MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHGSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM
sabdab_dataset/4kdt/structure/4kdt.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_dataset/4kdt/structure/chothia/4kdt.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_dataset/4nug/abangle/4nug.abangle ADDED
@@ -0,0 +1,2 @@
 
 
 
1
+ pdb Hchain Lchain model HL HC1 HC2 LC1 LC2 dc
2
+ 4nug H L 0 -58.16 70.76 118.32 119.38 83.65 16.35
sabdab_dataset/4nug/annotation/4nug_H_VH.ann ADDED
@@ -0,0 +1,135 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ H1 R
2
+ H2 V
3
+ H3 Q
4
+ H4 L
5
+ H5 V
6
+ H6 E
7
+ H7 S
8
+ H8 G
9
+ H9 G
10
+ H10 G
11
+ H11 V
12
+ H12 V
13
+ H13 Q
14
+ H14 P
15
+ H15 G
16
+ H16 K
17
+ H17 S
18
+ H18 V
19
+ H19 R
20
+ H20 L
21
+ H21 S
22
+ H22 C
23
+ H23 V
24
+ H24 V
25
+ H25 S
26
+ H26 D
27
+ H27 F
28
+ H28 P
29
+ H29 F
30
+ H30 S
31
+ H31 K
32
+ H32 Y
33
+ H33 P
34
+ H34 M
35
+ H35 Y
36
+ H36 W
37
+ H37 V
38
+ H38 R
39
+ H39 Q
40
+ H40 A
41
+ H41 P
42
+ H42 G
43
+ H43 K
44
+ H44 G
45
+ H45 L
46
+ H46 E
47
+ H47 W
48
+ H48 V
49
+ H49 A
50
+ H50 A
51
+ H51 I
52
+ H52 S
53
+ H52A G
54
+ H53 D
55
+ H54 A
56
+ H55 W
57
+ H56 H
58
+ H57 V
59
+ H58 V
60
+ H59 Y
61
+ H60 S
62
+ H61 N
63
+ H62 S
64
+ H63 V
65
+ H64 Q
66
+ H65 G
67
+ H66 R
68
+ H67 F
69
+ H68 L
70
+ H69 V
71
+ H70 S
72
+ H71 R
73
+ H72 D
74
+ H73 N
75
+ H74 V
76
+ H75 K
77
+ H76 N
78
+ H77 T
79
+ H78 L
80
+ H79 Y
81
+ H80 L
82
+ H81 E
83
+ H82 M
84
+ H82A N
85
+ H82B S
86
+ H82C L
87
+ H83 K
88
+ H84 I
89
+ H85 E
90
+ H86 D
91
+ H87 T
92
+ H88 A
93
+ H89 V
94
+ H90 Y
95
+ H91 R
96
+ H92 C
97
+ H93 A
98
+ H94 R
99
+ H95 M
100
+ H96 F
101
+ H97 Q
102
+ H98 E
103
+ H99 S
104
+ H100 G
105
+ H100A P
106
+ H100B P
107
+ H100C R
108
+ H100D L
109
+ H100E D
110
+ H100F R
111
+ H100G W
112
+ H100H S
113
+ H100I G
114
+ H100J R
115
+ H100K N
116
+ H100L Y
117
+ H100M Y
118
+ H100N Y
119
+ H100O Y
120
+ H100P S
121
+ H100Q G
122
+ H100R M
123
+ H101 D
124
+ H102 V
125
+ H103 W
126
+ H104 G
127
+ H105 Q
128
+ H106 G
129
+ H107 T
130
+ H108 T
131
+ H109 V
132
+ H110 T
133
+ H111 V
134
+ H112 S
135
+ H113 S
sabdab_dataset/4nug/annotation/4nug_L_VL.ann ADDED
@@ -0,0 +1,115 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ L1 D
2
+ L2 I
3
+ L3 V
4
+ L4 M
5
+ L5 T
6
+ L6 Q
7
+ L7 T
8
+ L8 P
9
+ L9 L
10
+ L10 S
11
+ L11 L
12
+ L12 S
13
+ L13 V
14
+ L14 T
15
+ L15 P
16
+ L16 G
17
+ L17 Q
18
+ L18 P
19
+ L19 A
20
+ L20 S
21
+ L21 I
22
+ L22 S
23
+ L23 C
24
+ L24 K
25
+ L25 S
26
+ L26 S
27
+ L27 E
28
+ L28 S
29
+ L29 L
30
+ L30 R
31
+ L30A Q
32
+ L30B S
33
+ L30C N
34
+ L30D G
35
+ L30E K
36
+ L31 T
37
+ L32 S
38
+ L33 L
39
+ L34 Y
40
+ L35 W
41
+ L36 Y
42
+ L37 R
43
+ L38 Q
44
+ L39 K
45
+ L40 P
46
+ L41 G
47
+ L42 Q
48
+ L43 S
49
+ L44 P
50
+ L45 Q
51
+ L46 L
52
+ L47 L
53
+ L48 V
54
+ L49 F
55
+ L50 E
56
+ L51 V
57
+ L52 S
58
+ L53 N
59
+ L54 R
60
+ L55 F
61
+ L56 S
62
+ L57 G
63
+ L58 V
64
+ L59 S
65
+ L60 D
66
+ L61 R
67
+ L62 F
68
+ L63 V
69
+ L64 G
70
+ L65 S
71
+ L66 G
72
+ L67 S
73
+ L68 G
74
+ L69 T
75
+ L70 D
76
+ L71 F
77
+ L72 T
78
+ L73 L
79
+ L74 R
80
+ L75 I
81
+ L76 S
82
+ L77 R
83
+ L78 V
84
+ L79 E
85
+ L80 A
86
+ L81 E
87
+ L82 D
88
+ L83 V
89
+ L84 G
90
+ L85 F
91
+ L86 Y
92
+ L87 Y
93
+ L88 C
94
+ L89 M
95
+ L90 Q
96
+ L91 S
97
+ L92 K
98
+ L93 D
99
+ L94 F
100
+ L95 P
101
+ L96 L
102
+ L97 T
103
+ L98 F
104
+ L99 G
105
+ L100 G
106
+ L101 G
107
+ L102 T
108
+ L103 K
109
+ L104 V
110
+ L105 D
111
+ L106 L
112
+ L107 K
113
+ L108 R
114
+ L109 T
115
+ L110 V
sabdab_dataset/4nug/imgt/4nug_H_H.ann ADDED
@@ -0,0 +1,4 @@
 
 
 
 
 
1
+ gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
2
+ C Homo_sapiens IGHG1*03 IG IGHC IGHG1 IGHG1 IGg True
3
+ J Homo_sapiens IGHJ6*01 IG IGHJ IGHJ6 IGHJ6 NA True
4
+ V Homo_sapiens IGHV3-30*01 IG IGHV IGHV3 IGHV3-30 NA True
sabdab_dataset/4nug/imgt/4nug_L_L.ann ADDED
@@ -0,0 +1,4 @@
 
 
 
 
 
1
+ gene_type species allele receptor_type group subgroup gene isotype parsed_from_imgt
2
+ C Homo_sapiens IGKC*01 IG IGKC IGKC IGKC NA True
3
+ J Homo_sapiens IGKJ4*01 IG IGKJ IGKJ4 IGKJ4 NA True
4
+ V Homo_sapiens IGKV2D-29*02 IG IGKV IGKV2D IGKV2D-29 NA True
sabdab_dataset/4nug/sequence/4nug_H_VH.fa ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ >4nug_H|seqres|full
2
+ RVQLVESGGGVVQPGKSVRLSCVVSDFPFSKYPMYWVRQAPGKGLEWVAAISGDAWHVVYSNSVQGRFLVSRDNVKNTLYLEMNSLKIEDTAVYRCARMFQESGPPRLDRWSGRNYYYYSGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDK
3
+ >4nug_H|seqres|region: H
4
+ RVQLVESGGGVVQPGKSVRLSCVVSDFPFSKYPMYWVRQAPGKGLEWVAAISGDAWHVVYSNSVQGRFLVSRDNVKNTLYLEMNSLKIEDTAVYRCARMFQESGPPRLDRWSGRNYYYYSGMDVWGQGTTVTVSS---------------------------------------------------------------------------------------------------------
5
+ >4nug_H|structure|full
6
+ RVQLVESGGGVVQPGKSVRLSCVVSDFPFSKYPMYWVRQAPGKGLEWVAAISGDAWHVVYSNSVQGRFLVSRDNVKNTLYLEMNSLKIEDTAVYRCARMFQESGPPRLDRWSGRNYYYYSGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPK----
sabdab_dataset/4nug/sequence/4nug_L_VL.fa ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ >4nug_L|seqres|full
2
+ DIVMTQTPLSLSVTPGQPASISCKSSESLRQSNGKTSLYWYRQKPGQSPQLLVFEVSNRFSGVSDRFVGSGSGTDFTLRISRVEAEDVGFYYCMQSKDFPLTFGGGTKVDLKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
3
+ >4nug_L|seqres|region: L
4
+ DIVMTQTPLSLSVTPGQPASISCKSSESLRQSNGKTSLYWYRQKPGQSPQLLVFEVSNRFSGVSDRFVGSGSGTDFTLRISRVEAEDVGFYYCMQSKDFPLTFGGGTKVDLKRTV--------------------------------------------------------------------------------------------------------
5
+ >4nug_L|structure|full
6
+ DIVMTQTPLSLSVTPGQPASISCKSSESLRQSNGKTSLYWYRQKPGQSPQLLVFEVSNRFSGVSDRFVGSGSGTDFTLRISRVEAEDVGFYYCMQSKDFPLTFGGGTKVDLKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE-
sabdab_dataset/4nug/sequence/4nug_raw.pdb ADDED
@@ -0,0 +1,4 @@
 
 
 
 
 
1
+ >4nug_H|type: H
2
+ RVQLVESGGGVVQPGKSVRLSCVVSDFPFSKYPMYWVRQAPGKGLEWVAAISGDAWHVVYSNSVQGRFLVSRDNVKNTLYLEMNSLKIEDTAVYRCARMFQESGPPRLDRWSGRNYYYYSGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDK
3
+ >4nug_L|type: L
4
+ DIVMTQTPLSLSVTPGQPASISCKSSESLRQSNGKTSLYWYRQKPGQSPQLLVFEVSNRFSGVSDRFVGSGSGTDFTLRISRVEAEDVGFYYCMQSKDFPLTFGGGTKVDLKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
sabdab_dataset/4nug/structure/4nug.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_dataset/4nug/structure/chothia/4nug.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_dataset/6b14/abangle/6b14.abangle ADDED
@@ -0,0 +1,2 @@
 
 
 
1
+ pdb Hchain Lchain model HL HC1 HC2 LC1 LC2 dc
2
+ 6b14 H L 0 -60.23 68.54 120.17 119.51 80.24 16.19
sabdab_dataset/6b14/annotation/6b14_H_VH.ann ADDED
@@ -0,0 +1,122 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ H1 E
2
+ H2 V
3
+ H3 Q
4
+ H4 L
5
+ H5 V
6
+ H6 E
7
+ H7 S
8
+ H8 G
9
+ H9 G
10
+ H10 G
11
+ H11 L
12
+ H12 V
13
+ H13 Q
14
+ H14 P
15
+ H15 G
16
+ H16 G
17
+ H17 S
18
+ H18 L
19
+ H19 R
20
+ H20 L
21
+ H21 S
22
+ H22 C
23
+ H23 A
24
+ H24 A
25
+ H25 S
26
+ H26 G
27
+ H27 F
28
+ H28 Y
29
+ H29 I
30
+ H30 S
31
+ H31 Y
32
+ H32 S
33
+ H33 S
34
+ H34 I
35
+ H35 H
36
+ H36 W
37
+ H37 V
38
+ H38 R
39
+ H39 Q
40
+ H40 A
41
+ H41 P
42
+ H42 G
43
+ H43 K
44
+ H44 G
45
+ H45 L
46
+ H46 E
47
+ H47 W
48
+ H48 V
49
+ H49 A
50
+ H50 S
51
+ H51 I
52
+ H52 S
53
+ H52A P
54
+ H53 Y
55
+ H54 S
56
+ H55 G
57
+ H56 S
58
+ H57 T
59
+ H58 Y
60
+ H59 Y
61
+ H60 A
62
+ H61 D
63
+ H62 S
64
+ H63 V
65
+ H64 K
66
+ H65 G
67
+ H66 R
68
+ H67 F
69
+ H68 T
70
+ H69 I
71
+ H70 S
72
+ H71 A
73
+ H72 D
74
+ H73 T
75
+ H74 S
76
+ H75 K
77
+ H76 N
78
+ H77 T
79
+ H78 A
80
+ H79 Y
81
+ H80 L
82
+ H81 Q
83
+ H82 M
84
+ H82A N
85
+ H82B S
86
+ H82C L
87
+ H83 R
88
+ H84 A
89
+ H85 E
90
+ H86 D
91
+ H87 T
92
+ H88 A
93
+ H89 V
94
+ H90 Y
95
+ H91 Y
96
+ H92 C
97
+ H93 A
98
+ H94 R
99
+ H95 Q
100
+ H96 G
101
+ H97 Y
102
+ H98 R
103
+ H99 R
104
+ H100 R
105
+ H100A S
106
+ H100B G
107
+ H100C R
108
+ H100D G
109
+ H100E F
110
+ H101 D
111
+ H102 Y
112
+ H103 W
113
+ H104 G
114
+ H105 Q
115
+ H106 G
116
+ H107 T
117
+ H108 L
118
+ H109 V
119
+ H110 T
120
+ H111 V
121
+ H112 S
122
+ H113 S