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Add batch 44

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  2. 1a7x/1a7x_ligand.sdf +296 -0
  3. 1a7x/1a7x_protein_fix.pdb +0 -0
  4. 1aqi/1aqi_ligand.mol2 +110 -0
  5. 1aqi/1aqi_ligand.sdf +102 -0
  6. 1aqi/1aqi_protein_esmfold_aligned_tr_fix.pdb +0 -0
  7. 1aqi/1aqi_protein_processed_fix.pdb +0 -0
  8. 1bji/1bji_ligand.mol2 +127 -0
  9. 1bji/1bji_ligand.sdf +119 -0
  10. 1bji/1bji_protein_esmfold_aligned_tr_fix.pdb +0 -0
  11. 1bji/1bji_protein_processed_fix.pdb +0 -0
  12. 1fcz/1fcz_ligand.mol2 +122 -0
  13. 1fcz/1fcz_ligand.sdf +114 -0
  14. 1fcz/1fcz_protein_esmfold_aligned_tr_fix.pdb +0 -0
  15. 1fcz/1fcz_protein_processed_fix.pdb +0 -0
  16. 1gi6/1gi6_ligand.mol2 +84 -0
  17. 1gi6/1gi6_ligand.sdf +70 -0
  18. 1gi6/1gi6_protein_esmfold_aligned_tr_fix.pdb +0 -0
  19. 1gi6/1gi6_protein_processed_fix.pdb +0 -0
  20. 1m4h/1m4h_ligand.mol2 +280 -0
  21. 1m4h/1m4h_ligand.sdf +278 -0
  22. 1m4h/1m4h_protein_esmfold_aligned_tr_fix.pdb +0 -0
  23. 1m4h/1m4h_protein_processed_fix.pdb +0 -0
  24. 1nvq/1nvq_ligand.mol2 +149 -0
  25. 1nvq/1nvq_ligand.sdf +139 -0
  26. 1nvq/1nvq_protein_esmfold_aligned_tr_fix.pdb +0 -0
  27. 1nvq/1nvq_protein_processed_fix.pdb +0 -0
  28. 1o3p/1o3p_ligand.mol2 +111 -0
  29. 1o3p/1o3p_ligand.sdf +97 -0
  30. 1o3p/1o3p_protein_esmfold_aligned_tr_fix.pdb +0 -0
  31. 1o3p/1o3p_protein_processed_fix.pdb +0 -0
  32. 1oir/1oir_protein_esmfold_aligned_tr_fix.pdb +0 -0
  33. 1oir/1oir_protein_processed_fix.pdb +0 -0
  34. 1ow8/1ow8_ligand.mol2 +431 -0
  35. 1ow8/1ow8_ligand.sdf +427 -0
  36. 1ow8/1ow8_protein_esmfold_aligned_tr_fix.pdb +1044 -0
  37. 1ow8/1ow8_protein_processed_fix.pdb +0 -0
  38. 1prl/1prl_ligand.mol2 +323 -0
  39. 1prl/1prl_ligand.sdf +311 -0
  40. 1prl/1prl_protein_esmfold_aligned_tr_fix.pdb +455 -0
  41. 1prl/1prl_protein_processed_fix.pdb +877 -0
  42. 1q41/1q41_ligand.mol2 +83 -0
  43. 1q41/1q41_ligand.sdf +73 -0
  44. 1q41/1q41_protein_esmfold_aligned_tr_fix.pdb +0 -0
  45. 1q41/1q41_protein_processed_fix.pdb +0 -0
  46. 1qbt/1qbt_ligand.mol2 +236 -0
  47. 1qbt/1qbt_ligand.sdf +222 -0
  48. 1qbt/1qbt_protein_esmfold_aligned_tr_fix.pdb +0 -0
  49. 1qbt/1qbt_protein_processed_fix.pdb +0 -0
  50. 1szm/1szm_protein_esmfold_aligned_tr_fix.pdb +0 -0
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1a7x/1a7x_protein_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1aqi/1aqi_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
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+ ###
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1bji/1bji_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1bji/1bji_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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The diff for this file is too large to render. See raw diff
 
1fcz/1fcz_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1gi6/1gi6_ligand.mol2 ADDED
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1gi6/1gi6_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1gi6/1gi6_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1m4h/1m4h_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
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44
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53
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+ 46 N 27.6690 31.8110 24.8080 N.am 1 GLU -0.2636
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+ 48 C 29.7510 31.6970 25.9940 C.2 1 GLU 0.2036
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+ 53 OE1 28.8130 27.2120 23.3270 O.co2 1 GLU -0.5690
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+ 58 O 33.6730 31.0080 27.2060 O.co2 1 PHE -0.5664
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+ 69 H3 11.6749 29.5131 24.1543 H 1 GLU 0.2015
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+ 70 H4 12.0480 27.6465 22.7269 H 1 GLU 0.1099
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+ 72 H6 11.2935 29.1806 20.2921 H 1 GLU 0.0363
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+ $$$$
1o3p/1o3p_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1o3p/1o3p_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1oir/1oir_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1oir/1oir_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ow8/1ow8_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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+ 1ow8_ligand
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+ 208 207 1 0 0
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+ SMALL
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+
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18
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19
+ 7 CD1 23.5560 33.2730 22.7970 C.3 1 LEU -0.0623
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+ 8 CD2 21.1260 33.4160 22.3070 C.3 1 LEU -0.0623
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+ 9 N 24.7970 33.3830 18.0200 N.am 1 SER -0.2589
22
+ 10 CA 25.0550 32.2840 17.0890 C.3 1 SER 0.1540
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+ 11 C 26.5080 31.9070 17.3990 C.2 1 SER 0.2062
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+ 13 CB 24.6800 32.5760 15.6110 C.3 1 SER 0.0843
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+ 15 N 27.3190 32.8840 17.8190 N.am 1 GLU -0.2636
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61
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62
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105
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113
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117
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118
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123
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149
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170
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171
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177
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178
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179
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180
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181
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182
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185
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188
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189
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192
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194
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195
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197
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200
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201
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+ M END
427
+ $$$$
1ow8/1ow8_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1044 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C ASN A 1 17.702 41.307 19.749 1.00 63.25 C
2
+ ATOM 2 CA ASN A 1 17.175 40.350 18.684 1.00 64.69 C
3
+ ATOM 3 CB ASN A 1 17.977 40.500 17.390 1.00 53.77 C
4
+ ATOM 4 CG ASN A 1 19.203 39.610 17.355 1.00 50.06 C
5
+ ATOM 5 N ASN A 1 15.752 40.558 18.432 1.00 60.45 N
6
+ ATOM 6 ND2 ASN A 1 19.878 39.574 16.212 1.00 47.15 N
7
+ ATOM 7 O ASN A 1 17.507 42.520 19.651 1.00 57.93 O
8
+ ATOM 8 OD1 ASN A 1 19.540 38.958 18.347 1.00 49.00 O
9
+ ATOM 9 C LEU A 2 20.046 42.036 21.899 1.00 79.96 C
10
+ ATOM 10 CA LEU A 2 18.644 41.482 22.127 1.00 80.45 C
11
+ ATOM 11 CB LEU A 2 18.620 40.625 23.395 1.00 75.35 C
12
+ ATOM 12 CD1 LEU A 2 17.339 39.119 24.938 1.00 62.51 C
13
+ ATOM 13 CD2 LEU A 2 16.617 41.502 24.627 1.00 64.08 C
14
+ ATOM 14 CG LEU A 2 17.238 40.283 23.956 1.00 68.42 C
15
+ ATOM 15 N LEU A 2 18.198 40.704 20.976 1.00 78.30 N
16
+ ATOM 16 O LEU A 2 20.899 41.358 21.322 1.00 76.92 O
17
+ ATOM 17 C ASP A 3 22.423 43.399 22.898 1.00 81.22 C
18
+ ATOM 18 CA ASP A 3 21.472 43.957 21.841 1.00 81.91 C
19
+ ATOM 19 CB ASP A 3 21.351 45.475 21.992 1.00 77.18 C
20
+ ATOM 20 CG ASP A 3 22.677 46.194 21.828 1.00 70.12 C
21
+ ATOM 21 N ASP A 3 20.158 43.326 21.932 1.00 80.09 N
22
+ ATOM 22 O ASP A 3 22.138 43.468 24.095 1.00 78.08 O
23
+ ATOM 23 OD1 ASP A 3 23.676 45.552 21.440 1.00 68.74 O
24
+ ATOM 24 OD2 ASP A 3 22.725 47.416 22.092 1.00 75.52 O
25
+ ATOM 25 C ARG A 4 25.535 43.107 23.717 1.00 82.89 C
26
+ ATOM 26 CA ARG A 4 24.354 42.188 23.428 1.00 83.88 C
27
+ ATOM 27 CB ARG A 4 24.852 40.848 22.884 1.00 80.77 C
28
+ ATOM 28 CD ARG A 4 23.217 39.375 24.108 1.00 72.24 C
29
+ ATOM 29 CG ARG A 4 23.766 39.793 22.751 1.00 75.08 C
30
+ ATOM 30 CZ ARG A 4 21.708 37.640 25.019 1.00 69.35 C
31
+ ATOM 31 N ARG A 4 23.424 42.808 22.490 1.00 83.50 N
32
+ ATOM 32 NE ARG A 4 22.361 38.196 24.002 1.00 65.02 N
33
+ ATOM 33 NH1 ARG A 4 21.800 38.147 26.242 1.00 53.07 N
34
+ ATOM 34 NH2 ARG A 4 20.956 36.569 24.811 1.00 48.68 N
35
+ ATOM 35 O ARG A 4 26.496 42.704 24.376 1.00 79.86 O
36
+ ATOM 36 C SER A 5 26.447 45.735 24.788 1.00 78.09 C
37
+ ATOM 37 CA SER A 5 26.418 45.295 23.328 1.00 81.38 C
38
+ ATOM 38 CB SER A 5 26.242 46.514 22.422 1.00 75.18 C
39
+ ATOM 39 N SER A 5 25.355 44.324 23.091 1.00 81.10 N
40
+ ATOM 40 O SER A 5 25.420 46.129 25.344 1.00 72.22 O
41
+ ATOM 41 OG SER A 5 26.083 46.117 21.071 1.00 64.32 O
42
+ ATOM 42 C ASN A 6 26.831 44.736 27.967 1.00 85.88 C
43
+ ATOM 43 CA ASN A 6 27.610 45.668 27.042 1.00 86.46 C
44
+ ATOM 44 CB ASN A 6 27.240 47.126 27.323 1.00 81.00 C
45
+ ATOM 45 CG ASN A 6 28.138 48.107 26.596 1.00 69.23 C
46
+ ATOM 46 N ASN A 6 27.382 45.343 25.639 1.00 85.55 N
47
+ ATOM 47 ND2 ASN A 6 27.557 49.198 26.112 1.00 60.58 N
48
+ ATOM 48 O ASN A 6 26.447 45.129 29.071 1.00 81.96 O
49
+ ATOM 49 OD1 ASN A 6 29.345 47.885 26.471 1.00 61.09 O
50
+ ATOM 50 C ASP A 7 26.666 41.839 29.073 1.00 91.33 C
51
+ ATOM 51 CA ASP A 7 25.685 42.671 28.250 1.00 91.32 C
52
+ ATOM 52 CB ASP A 7 24.837 41.758 27.362 1.00 89.60 C
53
+ ATOM 53 CG ASP A 7 23.890 40.874 28.153 1.00 85.90 C
54
+ ATOM 54 N ASP A 7 26.386 43.664 27.443 1.00 89.75 N
55
+ ATOM 55 O ASP A 7 27.294 40.915 28.552 1.00 89.91 O
56
+ ATOM 56 OD1 ASP A 7 24.110 40.676 29.368 1.00 83.10 O
57
+ ATOM 57 OD2 ASP A 7 22.916 40.366 27.556 1.00 86.14 O
58
+ ATOM 58 C LYS A 8 27.431 39.999 31.439 1.00 93.33 C
59
+ ATOM 59 CA LYS A 8 27.777 41.469 31.221 1.00 93.08 C
60
+ ATOM 60 CB LYS A 8 27.901 42.183 32.567 1.00 90.93 C
61
+ ATOM 61 CD LYS A 8 28.765 44.161 33.863 1.00 74.24 C
62
+ ATOM 62 CE LYS A 8 29.437 45.525 33.779 1.00 69.77 C
63
+ ATOM 63 CG LYS A 8 28.547 43.559 32.481 1.00 79.41 C
64
+ ATOM 64 N LYS A 8 26.780 42.127 30.381 1.00 91.96 N
65
+ ATOM 65 NZ LYS A 8 29.639 46.127 35.132 1.00 61.13 N
66
+ ATOM 66 O LYS A 8 28.320 39.162 31.599 1.00 92.77 O
67
+ ATOM 67 C VAL A 9 26.232 37.432 30.489 1.00 93.88 C
68
+ ATOM 68 CA VAL A 9 25.781 38.263 31.688 1.00 94.21 C
69
+ ATOM 69 CB VAL A 9 24.255 38.123 31.890 1.00 93.31 C
70
+ ATOM 70 CG1 VAL A 9 23.851 36.651 31.949 1.00 87.38 C
71
+ ATOM 71 CG2 VAL A 9 23.816 38.850 33.159 1.00 85.05 C
72
+ ATOM 72 N VAL A 9 26.169 39.656 31.497 1.00 93.27 N
73
+ ATOM 73 O VAL A 9 26.834 36.370 30.655 1.00 93.20 O
74
+ ATOM 74 C TYR A 10 27.768 37.125 28.021 1.00 93.92 C
75
+ ATOM 75 CA TYR A 10 26.256 37.313 28.061 1.00 94.24 C
76
+ ATOM 76 CB TYR A 10 25.797 38.104 26.832 1.00 93.48 C
77
+ ATOM 77 CD1 TYR A 10 25.703 36.376 24.993 1.00 84.46 C
78
+ ATOM 78 CD2 TYR A 10 27.313 38.131 24.816 1.00 84.79 C
79
+ ATOM 79 CE1 TYR A 10 26.145 35.839 23.788 1.00 85.83 C
80
+ ATOM 80 CE2 TYR A 10 27.764 37.604 23.610 1.00 85.53 C
81
+ ATOM 81 CG TYR A 10 26.280 37.528 25.524 1.00 89.87 C
82
+ ATOM 82 CZ TYR A 10 27.174 36.460 23.105 1.00 84.06 C
83
+ ATOM 83 N TYR A 10 25.846 37.988 29.287 1.00 93.80 N
84
+ ATOM 84 O TYR A 10 28.257 36.038 27.705 1.00 93.18 O
85
+ ATOM 85 OH TYR A 10 27.617 35.933 21.912 1.00 72.07 O
86
+ ATOM 86 C GLU A 11 30.484 37.014 29.310 1.00 93.47 C
87
+ ATOM 87 CA GLU A 11 29.984 38.097 28.358 1.00 93.45 C
88
+ ATOM 88 CB GLU A 11 30.595 39.449 28.732 1.00 91.17 C
89
+ ATOM 89 CD GLU A 11 30.987 41.868 28.063 1.00 69.84 C
90
+ ATOM 90 CG GLU A 11 30.486 40.498 27.635 1.00 75.10 C
91
+ ATOM 91 N GLU A 11 28.526 38.172 28.364 1.00 93.20 N
92
+ ATOM 92 O GLU A 11 31.402 36.261 28.976 1.00 92.67 O
93
+ ATOM 93 OE1 GLU A 11 31.521 41.996 29.188 1.00 67.70 O
94
+ ATOM 94 OE2 GLU A 11 30.843 42.822 27.266 1.00 65.20 O
95
+ ATOM 95 C ASN A 12 29.942 34.581 31.137 1.00 94.36 C
96
+ ATOM 96 CA ASN A 12 30.352 36.012 31.475 1.00 94.79 C
97
+ ATOM 97 CB ASN A 12 29.827 36.402 32.858 1.00 93.79 C
98
+ ATOM 98 CG ASN A 12 30.505 37.640 33.412 1.00 88.17 C
99
+ ATOM 99 N ASN A 12 29.884 36.955 30.464 1.00 94.11 N
100
+ ATOM 100 ND2 ASN A 12 29.806 38.361 34.280 1.00 79.70 N
101
+ ATOM 101 O ASN A 12 30.663 33.634 31.458 1.00 93.57 O
102
+ ATOM 102 OD1 ASN A 12 31.648 37.946 33.061 1.00 78.74 O
103
+ ATOM 103 C VAL A 13 29.405 32.564 28.960 1.00 94.29 C
104
+ ATOM 104 CA VAL A 13 28.407 33.033 30.018 1.00 95.07 C
105
+ ATOM 105 CB VAL A 13 26.973 33.014 29.445 1.00 94.34 C
106
+ ATOM 106 CG1 VAL A 13 26.718 31.722 28.671 1.00 86.97 C
107
+ ATOM 107 CG2 VAL A 13 25.949 33.181 30.566 1.00 84.49 C
108
+ ATOM 108 N VAL A 13 28.778 34.361 30.492 1.00 94.63 N
109
+ ATOM 109 O VAL A 13 29.877 31.427 29.003 1.00 93.20 O
110
+ ATOM 110 C THR A 14 32.051 32.830 27.600 1.00 93.41 C
111
+ ATOM 111 CA THR A 14 30.698 33.169 26.982 1.00 93.87 C
112
+ ATOM 112 CB THR A 14 30.864 34.324 25.976 1.00 92.00 C
113
+ ATOM 113 CG2 THR A 14 31.857 33.957 24.878 1.00 67.35 C
114
+ ATOM 114 N THR A 14 29.727 33.506 28.018 1.00 93.85 N
115
+ ATOM 115 O THR A 14 32.733 31.908 27.147 1.00 92.24 O
116
+ ATOM 116 OG1 THR A 14 29.595 34.616 25.379 1.00 61.36 O
117
+ ATOM 117 C GLY A 15 33.683 31.971 29.929 1.00 94.21 C
118
+ ATOM 118 CA GLY A 15 33.675 33.341 29.276 1.00 94.25 C
119
+ ATOM 119 N GLY A 15 32.433 33.637 28.582 1.00 94.12 N
120
+ ATOM 120 O GLY A 15 34.684 31.254 29.867 1.00 93.48 O
121
+ ATOM 121 C LEU A 16 32.582 29.210 30.178 1.00 94.61 C
122
+ ATOM 122 CA LEU A 16 32.491 30.326 31.213 1.00 95.11 C
123
+ ATOM 123 CB LEU A 16 31.175 30.214 31.988 1.00 94.28 C
124
+ ATOM 124 CD1 LEU A 16 31.945 28.487 33.634 1.00 77.99 C
125
+ ATOM 125 CD2 LEU A 16 29.491 28.855 33.261 1.00 78.43 C
126
+ ATOM 126 CG LEU A 16 30.872 28.852 32.613 1.00 88.30 C
127
+ ATOM 127 N LEU A 16 32.598 31.635 30.577 1.00 94.81 N
128
+ ATOM 128 O LEU A 16 33.305 28.232 30.377 1.00 93.70 O
129
+ ATOM 129 C VAL A 17 33.227 28.128 27.428 1.00 93.98 C
130
+ ATOM 130 CA VAL A 17 31.824 28.282 28.012 1.00 94.84 C
131
+ ATOM 131 CB VAL A 17 30.817 28.633 26.893 1.00 93.92 C
132
+ ATOM 132 CG1 VAL A 17 30.999 27.705 25.693 1.00 85.11 C
133
+ ATOM 133 CG2 VAL A 17 29.386 28.556 27.422 1.00 83.05 C
134
+ ATOM 134 N VAL A 17 31.834 29.295 29.062 1.00 94.68 N
135
+ ATOM 135 O VAL A 17 33.690 27.009 27.193 1.00 92.74 O
136
+ ATOM 136 C LYS A 18 36.220 28.459 27.768 1.00 93.34 C
137
+ ATOM 137 CA LYS A 18 35.318 29.223 26.803 1.00 93.80 C
138
+ ATOM 138 CB LYS A 18 35.861 30.636 26.585 1.00 92.04 C
139
+ ATOM 139 CD LYS A 18 35.889 32.726 25.182 1.00 72.42 C
140
+ ATOM 140 CE LYS A 18 35.317 33.428 23.958 1.00 67.15 C
141
+ ATOM 141 CG LYS A 18 35.324 31.320 25.337 1.00 78.33 C
142
+ ATOM 142 N LYS A 18 33.944 29.273 27.295 1.00 93.76 N
143
+ ATOM 143 NZ LYS A 18 35.793 34.840 23.856 1.00 58.45 N
144
+ ATOM 144 O LYS A 18 37.075 27.681 27.343 1.00 92.10 O
145
+ ATOM 145 C ALA A 19 36.551 26.497 29.931 1.00 93.58 C
146
+ ATOM 146 CA ALA A 19 36.800 28.002 29.988 1.00 93.98 C
147
+ ATOM 147 CB ALA A 19 36.489 28.537 31.383 1.00 93.34 C
148
+ ATOM 148 N ALA A 19 36.005 28.704 28.984 1.00 93.73 N
149
+ ATOM 149 O ALA A 19 37.488 25.701 30.035 1.00 92.62 O
150
+ ATOM 150 C VAL A 20 35.534 24.085 28.454 1.00 92.82 C
151
+ ATOM 151 CA VAL A 20 34.914 24.712 29.700 1.00 94.06 C
152
+ ATOM 152 CB VAL A 20 33.380 24.529 29.683 1.00 93.19 C
153
+ ATOM 153 CG1 VAL A 20 33.011 23.104 29.276 1.00 85.14 C
154
+ ATOM 154 CG2 VAL A 20 32.787 24.867 31.050 1.00 81.88 C
155
+ ATOM 155 N VAL A 20 35.285 26.121 29.781 1.00 93.68 N
156
+ ATOM 156 O VAL A 20 36.072 22.976 28.511 1.00 91.00 O
157
+ ATOM 157 C ILE A 21 37.605 24.153 26.211 1.00 91.80 C
158
+ ATOM 158 CA ILE A 21 36.094 24.318 26.070 1.00 92.77 C
159
+ ATOM 159 CB ILE A 21 35.765 25.260 24.890 1.00 91.71 C
160
+ ATOM 160 CD1 ILE A 21 33.822 26.239 23.536 1.00 80.32 C
161
+ ATOM 161 CG1 ILE A 21 34.267 25.212 24.570 1.00 85.12 C
162
+ ATOM 162 CG2 ILE A 21 36.600 24.895 23.659 1.00 83.07 C
163
+ ATOM 163 N ILE A 21 35.533 24.815 27.321 1.00 92.71 N
164
+ ATOM 164 O ILE A 21 38.171 23.150 25.769 1.00 90.27 O
165
+ ATOM 165 C GLU A 22 40.030 23.844 27.881 1.00 90.74 C
166
+ ATOM 166 CA GLU A 22 39.661 25.046 27.015 1.00 91.29 C
167
+ ATOM 167 CB GLU A 22 40.179 26.335 27.658 1.00 88.76 C
168
+ ATOM 168 CD GLU A 22 40.736 28.796 27.359 1.00 69.11 C
169
+ ATOM 169 CG GLU A 22 40.245 27.516 26.701 1.00 74.42 C
170
+ ATOM 170 N GLU A 22 38.219 25.121 26.803 1.00 91.69 N
171
+ ATOM 171 O GLU A 22 40.989 23.129 27.582 1.00 88.72 O
172
+ ATOM 172 OE1 GLU A 22 41.089 28.764 28.561 1.00 65.38 O
173
+ ATOM 173 OE2 GLU A 22 40.768 29.839 26.668 1.00 63.49 O
174
+ ATOM 174 C MET A 23 39.380 21.228 28.972 1.00 89.62 C
175
+ ATOM 175 CA MET A 23 39.544 22.524 29.758 1.00 91.20 C
176
+ ATOM 176 CB MET A 23 38.592 22.535 30.955 1.00 89.96 C
177
+ ATOM 177 CE MET A 23 37.708 19.632 33.855 1.00 75.74 C
178
+ ATOM 178 CG MET A 23 38.689 21.293 31.826 1.00 84.01 C
179
+ ATOM 179 N MET A 23 39.309 23.685 28.904 1.00 91.14 N
180
+ ATOM 180 O MET A 23 40.207 20.321 29.082 1.00 87.00 O
181
+ ATOM 181 SD MET A 23 37.503 21.323 33.227 1.00 84.07 S
182
+ ATOM 182 C SER A 24 39.132 19.579 26.399 1.00 88.29 C
183
+ ATOM 183 CA SER A 24 38.000 19.896 27.370 1.00 89.46 C
184
+ ATOM 184 CB SER A 24 36.688 20.063 26.601 1.00 87.32 C
185
+ ATOM 185 N SER A 24 38.291 21.094 28.150 1.00 89.86 N
186
+ ATOM 186 O SER A 24 39.457 18.411 26.175 1.00 85.51 O
187
+ ATOM 187 OG SER A 24 36.388 18.892 25.860 1.00 69.07 O
188
+ ATOM 188 C SER A 25 42.134 20.039 25.577 1.00 85.90 C
189
+ ATOM 189 CA SER A 25 40.822 20.439 24.913 1.00 87.35 C
190
+ ATOM 190 CB SER A 25 41.021 21.722 24.104 1.00 84.79 C
191
+ ATOM 191 N SER A 25 39.761 20.614 25.899 1.00 87.80 N
192
+ ATOM 192 O SER A 25 42.938 19.313 24.989 1.00 83.34 O
193
+ ATOM 193 OG SER A 25 41.427 22.788 24.945 1.00 70.99 O
194
+ ATOM 194 C LYS A 26 43.640 18.968 28.280 1.00 84.43 C
195
+ ATOM 195 CA LYS A 26 43.627 20.227 27.418 1.00 86.09 C
196
+ ATOM 196 CB LYS A 26 43.966 21.450 28.270 1.00 84.31 C
197
+ ATOM 197 CD LYS A 26 44.645 23.872 28.364 1.00 76.61 C
198
+ ATOM 198 CE LYS A 26 44.997 25.114 27.555 1.00 72.18 C
199
+ ATOM 199 CG LYS A 26 44.302 22.695 27.461 1.00 79.42 C
200
+ ATOM 200 N LYS A 26 42.334 20.402 26.763 1.00 86.74 N
201
+ ATOM 201 NZ LYS A 26 45.259 26.293 28.435 1.00 66.96 N
202
+ ATOM 202 O LYS A 26 44.705 18.497 28.684 1.00 81.40 O
203
+ ATOM 203 C ILE A 27 43.043 16.219 29.170 1.00 81.89 C
204
+ ATOM 204 CA ILE A 27 42.416 17.525 29.652 1.00 84.07 C
205
+ ATOM 205 CB ILE A 27 40.960 17.284 30.109 1.00 79.86 C
206
+ ATOM 206 CD1 ILE A 27 41.300 17.557 32.634 1.00 62.13 C
207
+ ATOM 207 CG1 ILE A 27 40.937 16.620 31.490 1.00 62.99 C
208
+ ATOM 208 CG2 ILE A 27 40.204 16.436 29.082 1.00 61.36 C
209
+ ATOM 209 N ILE A 27 42.484 18.525 28.591 1.00 83.79 N
210
+ ATOM 210 O ILE A 27 43.685 15.508 29.948 1.00 77.28 O
211
+ ATOM 211 C GLN A 28 44.852 14.362 27.592 1.00 75.84 C
212
+ ATOM 212 CA GLN A 28 43.342 14.493 27.415 1.00 76.16 C
213
+ ATOM 213 CB GLN A 28 42.967 14.290 25.947 1.00 71.68 C
214
+ ATOM 214 CD GLN A 28 40.968 12.796 26.377 1.00 61.64 C
215
+ ATOM 215 CG GLN A 28 41.478 14.064 25.718 1.00 64.12 C
216
+ ATOM 216 N GLN A 28 42.867 15.788 27.890 1.00 77.28 N
217
+ ATOM 217 NE2 GLN A 28 39.649 12.666 26.470 1.00 49.92 N
218
+ ATOM 218 O GLN A 28 45.330 13.404 28.203 1.00 71.86 O
219
+ ATOM 219 OE1 GLN A 28 41.753 11.941 26.798 1.00 59.12 O
220
+ ATOM 220 C PRO A 29 47.530 15.648 28.676 1.00 77.78 C
221
+ ATOM 221 CA PRO A 29 47.028 15.216 27.300 1.00 77.46 C
222
+ ATOM 222 CB PRO A 29 47.620 16.101 26.201 1.00 73.61 C
223
+ ATOM 223 CD PRO A 29 45.253 16.659 26.258 1.00 67.32 C
224
+ ATOM 224 CG PRO A 29 46.632 17.210 26.031 1.00 68.78 C
225
+ ATOM 225 N PRO A 29 45.584 15.400 27.142 1.00 77.49 N
226
+ ATOM 226 O PRO A 29 48.717 15.501 28.979 1.00 74.76 O
227
+ ATOM 227 C ALA A 30 47.462 15.654 31.827 1.00 80.25 C
228
+ ATOM 228 CA ALA A 30 47.173 16.701 30.755 1.00 79.54 C
229
+ ATOM 229 CB ALA A 30 46.148 17.712 31.264 1.00 76.92 C
230
+ ATOM 230 N ALA A 30 46.703 16.075 29.523 1.00 79.21 N
231
+ ATOM 231 O ALA A 30 46.729 14.671 31.957 1.00 77.78 O
232
+ ATOM 232 C PRO A 31 47.761 15.448 34.839 1.00 82.53 C
233
+ ATOM 233 CA PRO A 31 48.744 15.089 33.727 1.00 81.35 C
234
+ ATOM 234 CB PRO A 31 50.184 15.393 34.150 1.00 79.87 C
235
+ ATOM 235 CD PRO A 31 49.648 17.027 32.430 1.00 76.94 C
236
+ ATOM 236 CG PRO A 31 50.429 16.794 33.691 1.00 77.38 C
237
+ ATOM 237 N PRO A 31 48.565 15.911 32.527 1.00 81.29 N
238
+ ATOM 238 O PRO A 31 47.191 16.541 34.834 1.00 81.79 O
239
+ ATOM 239 C PRO A 32 46.736 16.020 37.592 1.00 82.80 C
240
+ ATOM 240 CA PRO A 32 46.503 14.747 36.784 1.00 81.63 C
241
+ ATOM 241 CB PRO A 32 46.666 13.504 37.663 1.00 79.53 C
242
+ ATOM 242 CD PRO A 32 48.112 13.177 35.735 1.00 73.35 C
243
+ ATOM 243 CG PRO A 32 47.271 12.476 36.764 1.00 74.86 C
244
+ ATOM 244 N PRO A 32 47.505 14.550 35.734 1.00 81.43 N
245
+ ATOM 245 O PRO A 32 45.785 16.615 38.104 1.00 81.65 O
246
+ ATOM 246 C GLU A 33 47.665 18.943 37.970 1.00 84.19 C
247
+ ATOM 247 CA GLU A 33 48.254 17.687 38.608 1.00 83.50 C
248
+ ATOM 248 CB GLU A 33 49.765 17.850 38.791 1.00 80.66 C
249
+ ATOM 249 CD GLU A 33 50.665 15.480 38.625 1.00 68.46 C
250
+ ATOM 250 CG GLU A 33 50.426 16.687 39.518 1.00 72.34 C
251
+ ATOM 251 N GLU A 33 47.959 16.501 37.811 1.00 83.62 N
252
+ ATOM 252 O GLU A 33 47.513 19.970 38.635 1.00 82.41 O
253
+ ATOM 253 OE1 GLU A 33 50.539 15.607 37.386 1.00 65.05 O
254
+ ATOM 254 OE2 GLU A 33 50.980 14.398 39.170 1.00 61.71 O
255
+ ATOM 255 C GLU A 34 45.284 20.084 36.094 1.00 88.02 C
256
+ ATOM 256 CA GLU A 34 46.808 20.016 36.031 1.00 87.44 C
257
+ ATOM 257 CB GLU A 34 47.274 20.020 34.574 1.00 85.39 C
258
+ ATOM 258 CD GLU A 34 49.245 21.597 34.869 1.00 75.32 C
259
+ ATOM 259 CG GLU A 34 48.774 20.227 34.410 1.00 78.56 C
260
+ ATOM 260 N GLU A 34 47.312 18.837 36.729 1.00 87.50 N
261
+ ATOM 261 O GLU A 34 44.683 21.069 35.659 1.00 86.84 O
262
+ ATOM 262 OE1 GLU A 34 48.465 22.572 34.768 1.00 71.57 O
263
+ ATOM 263 OE2 GLU A 34 50.403 21.698 35.331 1.00 69.93 O
264
+ ATOM 264 C TYR A 35 42.674 20.045 37.551 1.00 89.83 C
265
+ ATOM 265 CA TYR A 35 43.194 18.948 36.629 1.00 89.70 C
266
+ ATOM 266 CB TYR A 35 42.686 17.583 37.104 1.00 88.99 C
267
+ ATOM 267 CD1 TYR A 35 43.559 16.707 34.901 1.00 84.54 C
268
+ ATOM 268 CD2 TYR A 35 42.741 15.134 36.503 1.00 84.75 C
269
+ ATOM 269 CE1 TYR A 35 43.850 15.670 34.021 1.00 84.57 C
270
+ ATOM 270 CE2 TYR A 35 43.028 14.088 35.631 1.00 84.88 C
271
+ ATOM 271 CG TYR A 35 43.001 16.455 36.153 1.00 87.36 C
272
+ ATOM 272 CZ TYR A 35 43.582 14.366 34.394 1.00 82.82 C
273
+ ATOM 273 N TYR A 35 44.651 18.961 36.573 1.00 89.11 N
274
+ ATOM 274 O TYR A 35 41.728 20.758 37.206 1.00 89.06 O
275
+ ATOM 275 OH TYR A 35 43.867 13.335 33.527 1.00 80.14 O
276
+ ATOM 276 C VAL A 36 42.840 22.611 39.199 1.00 91.53 C
277
+ ATOM 277 CA VAL A 36 42.807 21.180 39.730 1.00 91.16 C
278
+ ATOM 278 CB VAL A 36 43.639 21.072 41.027 1.00 89.86 C
279
+ ATOM 279 CG1 VAL A 36 43.305 22.220 41.979 1.00 83.64 C
280
+ ATOM 280 CG2 VAL A 36 43.397 19.726 41.705 1.00 83.03 C
281
+ ATOM 281 N VAL A 36 43.293 20.262 38.705 1.00 91.07 N
282
+ ATOM 282 O VAL A 36 41.841 23.330 39.273 1.00 90.81 O
283
+ ATOM 283 C PRO A 37 42.938 24.642 36.957 1.00 91.78 C
284
+ ATOM 284 CA PRO A 37 43.981 24.422 38.050 1.00 91.65 C
285
+ ATOM 285 CB PRO A 37 45.398 24.593 37.496 1.00 90.37 C
286
+ ATOM 286 CD PRO A 37 45.311 22.406 38.559 1.00 84.39 C
287
+ ATOM 287 CG PRO A 37 46.211 23.555 38.199 1.00 85.96 C
288
+ ATOM 288 N PRO A 37 43.982 23.049 38.562 1.00 91.49 N
289
+ ATOM 289 O PRO A 37 42.359 25.727 36.861 1.00 90.97 O
290
+ ATOM 290 C MET A 38 40.329 23.985 35.660 1.00 91.81 C
291
+ ATOM 291 CA MET A 38 41.740 23.822 35.106 1.00 91.49 C
292
+ ATOM 292 CB MET A 38 41.799 22.611 34.174 1.00 90.05 C
293
+ ATOM 293 CE MET A 38 44.801 21.122 31.670 1.00 72.97 C
294
+ ATOM 294 CG MET A 38 43.049 22.563 33.309 1.00 83.04 C
295
+ ATOM 295 N MET A 38 42.712 23.685 36.188 1.00 90.96 N
296
+ ATOM 296 O MET A 38 39.580 24.856 35.214 1.00 91.12 O
297
+ ATOM 297 SD MET A 38 43.055 21.130 32.162 1.00 80.32 S
298
+ ATOM 298 C VAL A 39 38.519 24.449 38.007 1.00 93.30 C
299
+ ATOM 299 CA VAL A 39 38.652 23.161 37.199 1.00 93.41 C
300
+ ATOM 300 CB VAL A 39 38.360 21.936 38.095 1.00 92.56 C
301
+ ATOM 301 CG1 VAL A 39 37.095 22.163 38.922 1.00 86.91 C
302
+ ATOM 302 CG2 VAL A 39 38.227 20.673 37.245 1.00 85.88 C
303
+ ATOM 303 N VAL A 39 39.983 23.085 36.606 1.00 92.98 N
304
+ ATOM 304 O VAL A 39 37.442 25.047 38.060 1.00 92.52 O
305
+ ATOM 305 C LYS A 40 39.285 27.319 38.378 1.00 93.77 C
306
+ ATOM 306 CA LYS A 40 39.612 26.154 39.307 1.00 93.71 C
307
+ ATOM 307 CB LYS A 40 40.960 26.392 39.990 1.00 91.96 C
308
+ ATOM 308 CD LYS A 40 42.328 27.751 41.608 1.00 72.83 C
309
+ ATOM 309 CE LYS A 40 42.379 29.006 42.470 1.00 65.91 C
310
+ ATOM 310 CG LYS A 40 40.983 27.606 40.909 1.00 78.62 C
311
+ ATOM 311 N LYS A 40 39.622 24.888 38.582 1.00 93.64 N
312
+ ATOM 312 NZ LYS A 40 43.707 29.170 43.133 1.00 57.79 N
313
+ ATOM 313 O LYS A 40 38.561 28.241 38.759 1.00 93.07 O
314
+ ATOM 314 C GLU A 41 38.044 28.396 35.859 1.00 94.14 C
315
+ ATOM 315 CA GLU A 41 39.527 28.377 36.218 1.00 93.81 C
316
+ ATOM 316 CB GLU A 41 40.371 28.186 34.955 1.00 91.69 C
317
+ ATOM 317 CD GLU A 41 41.164 29.171 32.752 1.00 69.45 C
318
+ ATOM 318 CG GLU A 41 40.250 29.328 33.956 1.00 75.43 C
319
+ ATOM 319 N GLU A 41 39.820 27.331 37.194 1.00 93.70 N
320
+ ATOM 320 O GLU A 41 37.440 29.466 35.750 1.00 93.53 O
321
+ ATOM 321 OE1 GLU A 41 42.127 28.373 32.820 1.00 65.23 O
322
+ ATOM 322 OE2 GLU A 41 40.917 29.851 31.731 1.00 62.76 O
323
+ ATOM 323 C VAL A 42 35.244 27.645 36.549 1.00 94.99 C
324
+ ATOM 324 CA VAL A 42 36.040 27.105 35.363 1.00 95.09 C
325
+ ATOM 325 CB VAL A 42 35.628 25.646 35.063 1.00 94.58 C
326
+ ATOM 326 CG1 VAL A 42 34.109 25.521 34.976 1.00 91.22 C
327
+ ATOM 327 CG2 VAL A 42 36.282 25.163 33.770 1.00 90.26 C
328
+ ATOM 328 N VAL A 42 37.469 27.214 35.638 1.00 94.80 N
329
+ ATOM 329 O VAL A 42 34.280 28.393 36.369 1.00 94.51 O
330
+ ATOM 330 C GLY A 43 35.019 29.265 39.104 1.00 95.02 C
331
+ ATOM 331 CA GLY A 43 34.994 27.754 38.976 1.00 95.13 C
332
+ ATOM 332 N GLY A 43 35.643 27.272 37.767 1.00 95.09 N
333
+ ATOM 333 O GLY A 43 34.022 29.877 39.494 1.00 94.44 O
334
+ ATOM 334 C LEU A 44 35.343 31.978 37.788 1.00 95.08 C
335
+ ATOM 335 CA LEU A 44 36.261 31.303 38.800 1.00 95.07 C
336
+ ATOM 336 CB LEU A 44 37.710 31.736 38.561 1.00 93.62 C
337
+ ATOM 337 CD1 LEU A 44 40.132 31.690 39.208 1.00 66.26 C
338
+ ATOM 338 CD2 LEU A 44 38.386 32.238 40.926 1.00 65.97 C
339
+ ATOM 339 CG LEU A 44 38.706 31.421 39.678 1.00 79.81 C
340
+ ATOM 340 N LEU A 44 36.143 29.851 38.724 1.00 95.12 N
341
+ ATOM 341 O LEU A 44 34.699 32.983 38.099 1.00 94.51 O
342
+ ATOM 342 C ALA A 45 32.937 31.862 36.056 1.00 95.50 C
343
+ ATOM 343 CA ALA A 45 34.394 31.949 35.608 1.00 95.44 C
344
+ ATOM 344 CB ALA A 45 34.589 31.199 34.294 1.00 94.93 C
345
+ ATOM 345 N ALA A 45 35.290 31.421 36.634 1.00 95.22 N
346
+ ATOM 346 O ALA A 45 32.157 32.790 35.831 1.00 95.19 O
347
+ ATOM 347 C LEU A 46 30.944 31.573 38.277 1.00 95.39 C
348
+ ATOM 348 CA LEU A 46 31.250 30.582 37.158 1.00 95.89 C
349
+ ATOM 349 CB LEU A 46 31.026 29.151 37.654 1.00 95.50 C
350
+ ATOM 350 CD1 LEU A 46 28.558 29.097 37.217 1.00 89.33 C
351
+ ATOM 351 CD2 LEU A 46 29.595 27.410 38.759 1.00 88.88 C
352
+ ATOM 352 CG LEU A 46 29.651 28.847 38.250 1.00 93.57 C
353
+ ATOM 353 N LEU A 46 32.617 30.748 36.676 1.00 95.78 N
354
+ ATOM 354 O LEU A 46 29.851 32.142 38.326 1.00 94.52 O
355
+ ATOM 355 C ARG A 47 31.401 34.182 39.717 1.00 94.60 C
356
+ ATOM 356 CA ARG A 47 31.650 32.776 40.251 1.00 94.67 C
357
+ ATOM 357 CB ARG A 47 32.854 32.780 41.197 1.00 92.37 C
358
+ ATOM 358 CD ARG A 47 34.065 31.682 43.112 1.00 69.04 C
359
+ ATOM 359 CG ARG A 47 32.915 31.576 42.122 1.00 74.00 C
360
+ ATOM 360 CZ ARG A 47 35.275 30.190 44.670 1.00 61.15 C
361
+ ATOM 361 N ARG A 47 31.858 31.830 39.160 1.00 94.87 N
362
+ ATOM 362 NE ARG A 47 34.249 30.443 43.861 1.00 65.11 N
363
+ ATOM 363 NH1 ARG A 47 36.233 31.091 44.850 1.00 50.50 N
364
+ ATOM 364 NH2 ARG A 47 35.342 29.029 45.302 1.00 44.63 N
365
+ ATOM 365 O ARG A 47 30.535 34.900 40.221 1.00 93.74 O
366
+ ATOM 366 C THR A 48 30.643 35.908 37.472 1.00 94.78 C
367
+ ATOM 367 CA THR A 48 32.016 35.805 38.130 1.00 94.67 C
368
+ ATOM 368 CB THR A 48 33.112 36.088 37.086 1.00 93.43 C
369
+ ATOM 369 CG2 THR A 48 32.927 37.464 36.453 1.00 77.92 C
370
+ ATOM 370 N THR A 48 32.197 34.495 38.745 1.00 94.66 N
371
+ ATOM 371 O THR A 48 29.968 36.933 37.590 1.00 94.25 O
372
+ ATOM 372 OG1 THR A 48 34.394 36.036 37.722 1.00 75.42 O
373
+ ATOM 373 C LEU A 49 27.838 35.014 37.181 1.00 95.34 C
374
+ ATOM 374 CA LEU A 49 28.938 34.863 36.135 1.00 95.50 C
375
+ ATOM 375 CB LEU A 49 28.748 33.553 35.364 1.00 94.90 C
376
+ ATOM 376 CD1 LEU A 49 26.869 34.385 33.929 1.00 83.10 C
377
+ ATOM 377 CD2 LEU A 49 27.289 31.920 34.140 1.00 83.02 C
378
+ ATOM 378 CG LEU A 49 27.336 33.266 34.853 1.00 90.82 C
379
+ ATOM 379 N LEU A 49 30.256 34.902 36.759 1.00 95.40 N
380
+ ATOM 380 O LEU A 49 26.944 35.851 37.031 1.00 94.73 O
381
+ ATOM 381 C LEU A 50 26.754 35.585 39.997 1.00 95.12 C
382
+ ATOM 382 CA LEU A 50 26.801 34.238 39.282 1.00 95.51 C
383
+ ATOM 383 CB LEU A 50 27.014 33.115 40.299 1.00 94.86 C
384
+ ATOM 384 CD1 LEU A 50 27.099 30.681 40.895 1.00 86.77 C
385
+ ATOM 385 CD2 LEU A 50 25.495 31.486 39.140 1.00 86.00 C
386
+ ATOM 386 CG LEU A 50 26.868 31.687 39.772 1.00 91.84 C
387
+ ATOM 387 N LEU A 50 27.856 34.222 38.274 1.00 95.47 N
388
+ ATOM 388 O LEU A 50 25.676 36.064 40.356 1.00 94.33 O
389
+ ATOM 389 C ALA A 51 27.284 38.551 39.889 1.00 94.74 C
390
+ ATOM 390 CA ALA A 51 27.985 37.533 40.785 1.00 94.85 C
391
+ ATOM 391 CB ALA A 51 29.426 37.964 41.049 1.00 93.92 C
392
+ ATOM 392 N ALA A 51 27.952 36.200 40.190 1.00 94.91 N
393
+ ATOM 393 O ALA A 51 26.530 39.398 40.373 1.00 94.11 O
394
+ ATOM 394 C THR A 52 25.428 39.148 37.624 1.00 94.59 C
395
+ ATOM 395 CA THR A 52 26.935 39.378 37.693 1.00 94.73 C
396
+ ATOM 396 CB THR A 52 27.547 39.212 36.288 1.00 93.47 C
397
+ ATOM 397 CG2 THR A 52 26.853 40.116 35.276 1.00 77.13 C
398
+ ATOM 398 N THR A 52 27.554 38.469 38.650 1.00 94.76 N
399
+ ATOM 399 O THR A 52 24.653 40.103 37.540 1.00 93.82 O
400
+ ATOM 400 OG1 THR A 52 28.939 39.549 36.338 1.00 75.48 O
401
+ ATOM 401 C VAL A 53 22.903 38.144 38.852 1.00 94.29 C
402
+ ATOM 402 CA VAL A 53 23.576 37.587 37.600 1.00 94.89 C
403
+ ATOM 403 CB VAL A 53 23.338 36.064 37.499 1.00 94.24 C
404
+ ATOM 404 CG1 VAL A 53 21.865 35.731 37.729 1.00 88.77 C
405
+ ATOM 405 CG2 VAL A 53 23.802 35.540 36.142 1.00 87.51 C
406
+ ATOM 406 N VAL A 53 24.999 37.908 37.619 1.00 94.82 N
407
+ ATOM 407 O VAL A 53 21.811 38.712 38.777 1.00 93.10 O
408
+ ATOM 408 C ASP A 54 22.757 40.066 41.171 1.00 93.76 C
409
+ ATOM 409 CA ASP A 54 22.998 38.561 41.269 1.00 94.17 C
410
+ ATOM 410 CB ASP A 54 23.939 38.255 42.436 1.00 93.03 C
411
+ ATOM 411 CG ASP A 54 23.903 36.796 42.858 1.00 87.70 C
412
+ ATOM 412 N ASP A 54 23.541 38.034 40.021 1.00 94.26 N
413
+ ATOM 413 O ASP A 54 21.788 40.583 41.731 1.00 92.70 O
414
+ ATOM 414 OD1 ASP A 54 22.978 36.064 42.446 1.00 82.72 O
415
+ ATOM 415 OD2 ASP A 54 24.807 36.377 43.612 1.00 84.50 O
416
+ ATOM 416 C GLU A 55 22.373 42.494 39.311 1.00 94.04 C
417
+ ATOM 417 CA GLU A 55 23.484 42.162 40.303 1.00 94.29 C
418
+ ATOM 418 CB GLU A 55 24.805 42.782 39.839 1.00 93.04 C
419
+ ATOM 419 CD GLU A 55 27.262 43.175 40.353 1.00 81.60 C
420
+ ATOM 420 CG GLU A 55 25.908 42.737 40.887 1.00 85.82 C
421
+ ATOM 421 N GLU A 55 23.627 40.720 40.475 1.00 94.49 N
422
+ ATOM 422 O GLU A 55 21.805 43.587 39.349 1.00 93.04 O
423
+ ATOM 423 OE1 GLU A 55 27.366 43.489 39.146 1.00 79.38 O
424
+ ATOM 424 OE2 GLU A 55 28.228 43.203 41.149 1.00 78.90 O
425
+ ATOM 425 C THR A 56 19.703 41.491 37.847 1.00 93.19 C
426
+ ATOM 426 CA THR A 56 21.119 41.816 37.381 1.00 93.50 C
427
+ ATOM 427 CB THR A 56 21.463 40.966 36.144 1.00 92.19 C
428
+ ATOM 428 CG2 THR A 56 20.443 41.180 35.029 1.00 81.56 C
429
+ ATOM 429 N THR A 56 22.081 41.600 38.455 1.00 93.66 N
430
+ ATOM 430 O THR A 56 18.737 42.115 37.401 1.00 92.01 O
431
+ ATOM 431 OG1 THR A 56 22.762 41.334 35.664 1.00 81.08 O
432
+ ATOM 432 C ILE A 57 17.312 41.147 39.607 1.00 92.50 C
433
+ ATOM 433 CA ILE A 57 18.212 40.015 39.119 1.00 92.91 C
434
+ ATOM 434 CB ILE A 57 18.366 38.940 40.217 1.00 91.46 C
435
+ ATOM 435 CD1 ILE A 57 19.258 36.578 40.661 1.00 77.05 C
436
+ ATOM 436 CG1 ILE A 57 18.941 37.648 39.624 1.00 82.15 C
437
+ ATOM 437 CG2 ILE A 57 17.024 38.676 40.906 1.00 81.40 C
438
+ ATOM 438 N ILE A 57 19.506 40.553 38.714 1.00 92.92 N
439
+ ATOM 439 O ILE A 57 16.144 41.231 39.221 1.00 91.16 O
440
+ ATOM 440 C PRO A 58 16.463 44.064 39.819 1.00 92.44 C
441
+ ATOM 441 CA PRO A 58 16.969 43.143 40.927 1.00 93.04 C
442
+ ATOM 442 CB PRO A 58 17.857 43.908 41.910 1.00 91.86 C
443
+ ATOM 443 CD PRO A 58 19.213 42.043 41.134 1.00 89.70 C
444
+ ATOM 444 CG PRO A 58 18.917 42.932 42.308 1.00 90.17 C
445
+ ATOM 445 N PRO A 58 17.853 42.088 40.426 1.00 93.20 N
446
+ ATOM 446 O PRO A 58 15.479 44.782 40.011 1.00 91.06 O
447
+ ATOM 447 C LEU A 59 15.638 44.322 36.736 1.00 90.86 C
448
+ ATOM 448 CA LEU A 59 16.727 44.966 37.585 1.00 91.31 C
449
+ ATOM 449 CB LEU A 59 17.943 45.292 36.715 1.00 90.22 C
450
+ ATOM 450 CD1 LEU A 59 20.306 46.092 36.465 1.00 81.44 C
451
+ ATOM 451 CD2 LEU A 59 18.733 47.294 38.007 1.00 81.29 C
452
+ ATOM 452 CG LEU A 59 19.131 45.942 37.425 1.00 86.43 C
453
+ ATOM 453 N LEU A 59 17.109 44.093 38.690 1.00 91.59 N
454
+ ATOM 454 O LEU A 59 15.079 44.964 35.843 1.00 89.25 O
455
+ ATOM 455 C LEU A 60 12.952 42.198 36.847 1.00 90.53 C
456
+ ATOM 456 CA LEU A 60 14.287 42.329 36.120 1.00 91.02 C
457
+ ATOM 457 CB LEU A 60 14.837 40.941 35.786 1.00 90.55 C
458
+ ATOM 458 CD1 LEU A 60 16.695 39.490 34.933 1.00 87.42 C
459
+ ATOM 459 CD2 LEU A 60 15.861 41.404 33.542 1.00 87.49 C
460
+ ATOM 460 CG LEU A 60 16.122 40.902 34.958 1.00 89.70 C
461
+ ATOM 461 N LEU A 60 15.245 43.078 36.925 1.00 90.91 N
462
+ ATOM 462 O LEU A 60 12.875 42.416 38.058 1.00 89.23 O
463
+ ATOM 463 C PRO A 61 10.709 40.608 37.817 1.00 90.00 C
464
+ ATOM 464 CA PRO A 61 10.685 41.661 36.712 1.00 89.41 C
465
+ ATOM 465 CB PRO A 61 9.761 41.232 35.570 1.00 88.46 C
466
+ ATOM 466 CD PRO A 61 11.903 41.719 34.523 1.00 85.69 C
467
+ ATOM 467 CG PRO A 61 10.413 41.761 34.333 1.00 86.33 C
468
+ ATOM 468 N PRO A 61 11.983 41.823 36.055 1.00 89.22 N
469
+ ATOM 469 O PRO A 61 11.290 39.534 37.638 1.00 89.61 O
470
+ ATOM 470 C ALA A 62 9.503 38.684 39.807 1.00 89.99 C
471
+ ATOM 471 CA ALA A 62 10.030 40.078 40.136 1.00 90.14 C
472
+ ATOM 472 CB ALA A 62 9.190 40.715 41.240 1.00 88.48 C
473
+ ATOM 473 N ALA A 62 10.041 40.928 38.949 1.00 90.25 N
474
+ ATOM 474 O ALA A 62 9.929 37.694 40.406 1.00 88.63 O
475
+ ATOM 475 C SER A 63 9.008 36.357 37.884 1.00 89.27 C
476
+ ATOM 476 CA SER A 63 7.984 37.321 38.475 1.00 89.37 C
477
+ ATOM 477 CB SER A 63 6.847 37.544 37.477 1.00 88.14 C
478
+ ATOM 478 N SER A 63 8.601 38.591 38.839 1.00 89.68 N
479
+ ATOM 479 O SER A 63 8.748 35.158 37.773 1.00 87.79 O
480
+ ATOM 480 OG SER A 63 7.326 38.179 36.303 1.00 80.93 O
481
+ ATOM 481 C THR A 64 12.282 35.605 37.805 1.00 91.06 C
482
+ ATOM 482 CA THR A 64 11.196 36.022 36.817 1.00 90.96 C
483
+ ATOM 483 CB THR A 64 11.836 36.761 35.628 1.00 89.82 C
484
+ ATOM 484 CG2 THR A 64 10.777 37.224 34.633 1.00 85.04 C
485
+ ATOM 485 N THR A 64 10.189 36.848 37.474 1.00 90.78 N
486
+ ATOM 486 O THR A 64 13.155 34.801 37.473 1.00 89.94 O
487
+ ATOM 487 OG1 THR A 64 12.552 37.905 36.113 1.00 84.32 O
488
+ ATOM 488 C HIS A 65 13.563 34.507 40.379 1.00 92.29 C
489
+ ATOM 489 CA HIS A 65 13.414 35.972 39.981 1.00 92.87 C
490
+ ATOM 490 CB HIS A 65 13.206 36.835 41.226 1.00 92.35 C
491
+ ATOM 491 CD2 HIS A 65 13.575 38.990 39.828 1.00 88.71 C
492
+ ATOM 492 CE1 HIS A 65 13.581 40.435 41.478 1.00 88.77 C
493
+ ATOM 493 CG HIS A 65 13.390 38.299 40.977 1.00 91.07 C
494
+ ATOM 494 N HIS A 65 12.313 36.153 39.042 1.00 92.65 N
495
+ ATOM 495 ND1 HIS A 65 13.399 39.230 41.993 1.00 89.31 N
496
+ ATOM 496 NE2 HIS A 65 13.692 40.316 40.165 1.00 89.77 N
497
+ ATOM 497 O HIS A 65 14.680 33.990 40.457 1.00 91.24 O
498
+ ATOM 498 C ARG A 66 13.098 31.624 40.077 1.00 93.14 C
499
+ ATOM 499 CA ARG A 66 12.456 32.541 41.113 1.00 93.08 C
500
+ ATOM 500 CB ARG A 66 11.048 32.045 41.450 1.00 91.65 C
501
+ ATOM 501 CD ARG A 66 9.598 30.235 42.433 1.00 79.00 C
502
+ ATOM 502 CG ARG A 66 11.014 30.656 42.064 1.00 83.59 C
503
+ ATOM 503 CZ ARG A 66 8.457 28.246 43.356 1.00 69.55 C
504
+ ATOM 504 N ARG A 66 12.414 33.920 40.637 1.00 93.28 N
505
+ ATOM 505 NE ARG A 66 9.563 28.883 42.982 1.00 73.94 N
506
+ ATOM 506 NH1 ARG A 66 7.268 28.828 43.245 1.00 58.54 N
507
+ ATOM 507 NH2 ARG A 66 8.540 27.017 43.843 1.00 53.30 N
508
+ ATOM 508 O ARG A 66 13.923 30.775 40.419 1.00 92.33 O
509
+ ATOM 509 C GLU A 67 14.782 31.137 37.596 1.00 93.50 C
510
+ ATOM 510 CA GLU A 67 13.284 30.894 37.763 1.00 93.07 C
511
+ ATOM 511 CB GLU A 67 12.559 31.159 36.442 1.00 91.30 C
512
+ ATOM 512 CD GLU A 67 12.154 30.420 34.044 1.00 74.02 C
513
+ ATOM 513 CG GLU A 67 12.930 30.186 35.331 1.00 79.64 C
514
+ ATOM 514 N GLU A 67 12.730 31.725 38.827 1.00 93.08 N
515
+ ATOM 515 O GLU A 67 15.550 30.195 37.390 1.00 92.90 O
516
+ ATOM 516 OE1 GLU A 67 11.381 31.404 33.972 1.00 70.33 O
517
+ ATOM 517 OE2 GLU A 67 12.319 29.614 33.102 1.00 67.98 O
518
+ ATOM 518 C ILE A 68 17.412 32.138 38.731 1.00 94.27 C
519
+ ATOM 519 CA ILE A 68 16.620 32.723 37.564 1.00 94.49 C
520
+ ATOM 520 CB ILE A 68 16.830 34.252 37.487 1.00 93.99 C
521
+ ATOM 521 CD1 ILE A 68 16.112 36.344 36.193 1.00 89.34 C
522
+ ATOM 522 CG1 ILE A 68 16.149 34.823 36.238 1.00 92.26 C
523
+ ATOM 523 CG2 ILE A 68 18.323 34.593 37.499 1.00 91.75 C
524
+ ATOM 524 N ILE A 68 15.208 32.385 37.706 1.00 94.15 N
525
+ ATOM 525 O ILE A 68 18.488 31.569 38.535 1.00 93.67 O
526
+ ATOM 526 C GLU A 69 17.704 30.172 41.015 1.00 94.20 C
527
+ ATOM 527 CA GLU A 69 17.550 31.688 41.112 1.00 94.35 C
528
+ ATOM 528 CB GLU A 69 16.771 32.057 42.378 1.00 92.95 C
529
+ ATOM 529 CD GLU A 69 15.981 33.913 43.922 1.00 79.16 C
530
+ ATOM 530 CG GLU A 69 16.889 33.524 42.766 1.00 83.66 C
531
+ ATOM 531 N GLU A 69 16.889 32.228 39.928 1.00 94.49 N
532
+ ATOM 532 O GLU A 69 18.726 29.620 41.427 1.00 93.39 O
533
+ ATOM 533 OE1 GLU A 69 15.143 33.083 44.342 1.00 76.12 O
534
+ ATOM 534 OE2 GLU A 69 16.106 35.058 44.410 1.00 75.83 O
535
+ ATOM 535 C MET A 70 17.844 27.712 39.308 1.00 94.59 C
536
+ ATOM 536 CA MET A 70 16.727 28.081 40.278 1.00 94.55 C
537
+ ATOM 537 CB MET A 70 15.393 27.524 39.776 1.00 92.97 C
538
+ ATOM 538 CE MET A 70 14.729 24.787 41.360 1.00 62.26 C
539
+ ATOM 539 CG MET A 70 14.301 27.502 40.833 1.00 77.83 C
540
+ ATOM 540 N MET A 70 16.645 29.528 40.454 1.00 94.64 N
541
+ ATOM 541 O MET A 70 18.573 26.745 39.533 1.00 93.90 O
542
+ ATOM 542 SD MET A 70 14.696 26.379 42.230 1.00 64.19 S
543
+ ATOM 543 C ALA A 71 20.389 28.476 37.925 1.00 94.96 C
544
+ ATOM 544 CA ALA A 71 19.010 28.278 37.305 1.00 94.94 C
545
+ ATOM 545 CB ALA A 71 18.834 29.200 36.101 1.00 94.39 C
546
+ ATOM 546 N ALA A 71 17.953 28.514 38.286 1.00 94.70 N
547
+ ATOM 547 O ALA A 71 21.328 27.738 37.615 1.00 94.54 O
548
+ ATOM 548 C GLN A 72 22.166 28.496 40.383 1.00 94.28 C
549
+ ATOM 549 CA GLN A 72 21.810 29.682 39.492 1.00 94.63 C
550
+ ATOM 550 CB GLN A 72 21.731 30.961 40.327 1.00 93.53 C
551
+ ATOM 551 CD GLN A 72 21.676 33.491 40.352 1.00 82.07 C
552
+ ATOM 552 CG GLN A 72 21.734 32.238 39.499 1.00 86.63 C
553
+ ATOM 553 N GLN A 72 20.554 29.452 38.787 1.00 94.56 N
554
+ ATOM 554 NE2 GLN A 72 22.753 34.269 40.339 1.00 80.01 N
555
+ ATOM 555 O GLN A 72 23.319 28.060 40.414 1.00 93.45 O
556
+ ATOM 556 OE1 GLN A 72 20.670 33.759 41.017 1.00 82.09 O
557
+ ATOM 557 C LYS A 73 21.856 25.624 41.218 1.00 94.34 C
558
+ ATOM 558 CA LYS A 73 21.403 26.854 41.998 1.00 94.34 C
559
+ ATOM 559 CB LYS A 73 20.140 26.533 42.798 1.00 92.81 C
560
+ ATOM 560 CD LYS A 73 18.574 27.155 44.669 1.00 75.94 C
561
+ ATOM 561 CE LYS A 73 18.228 28.192 45.727 1.00 68.11 C
562
+ ATOM 562 CG LYS A 73 19.837 27.532 43.906 1.00 81.34 C
563
+ ATOM 563 N LYS A 73 21.171 27.987 41.107 1.00 94.43 N
564
+ ATOM 564 NZ LYS A 73 16.948 27.867 46.426 1.00 60.61 N
565
+ ATOM 565 O LYS A 73 22.721 24.874 41.678 1.00 93.64 O
566
+ ATOM 566 C LEU A 74 23.092 24.474 38.789 1.00 95.09 C
567
+ ATOM 567 CA LEU A 74 21.630 24.368 39.207 1.00 94.91 C
568
+ ATOM 568 CB LEU A 74 20.736 24.305 37.966 1.00 93.75 C
569
+ ATOM 569 CD1 LEU A 74 20.758 21.803 37.799 1.00 69.41 C
570
+ ATOM 570 CD2 LEU A 74 20.002 23.182 35.844 1.00 68.87 C
571
+ ATOM 571 CG LEU A 74 20.950 23.110 37.036 1.00 82.79 C
572
+ ATOM 572 N LEU A 74 21.248 25.493 40.055 1.00 94.84 N
573
+ ATOM 573 O LEU A 74 23.808 23.471 38.761 1.00 94.70 O
574
+ ATOM 574 C LEU A 75 25.875 25.559 39.235 1.00 95.19 C
575
+ ATOM 575 CA LEU A 75 24.927 25.860 38.080 1.00 95.54 C
576
+ ATOM 576 CB LEU A 75 25.137 27.296 37.592 1.00 95.11 C
577
+ ATOM 577 CD1 LEU A 75 24.627 29.135 35.966 1.00 87.30 C
578
+ ATOM 578 CD2 LEU A 75 25.355 26.886 35.124 1.00 86.86 C
579
+ ATOM 579 CG LEU A 75 24.580 27.630 36.207 1.00 92.68 C
580
+ ATOM 580 N LEU A 75 23.538 25.654 38.479 1.00 95.43 N
581
+ ATOM 581 O LEU A 75 26.937 24.966 39.033 1.00 94.50 O
582
+ ATOM 582 C ASN A 76 26.407 24.147 41.821 1.00 93.84 C
583
+ ATOM 583 CA ASN A 76 26.295 25.654 41.609 1.00 93.93 C
584
+ ATOM 584 CB ASN A 76 25.713 26.323 42.857 1.00 92.10 C
585
+ ATOM 585 CG ASN A 76 26.125 27.776 42.986 1.00 78.85 C
586
+ ATOM 586 N ASN A 76 25.490 25.973 40.435 1.00 94.11 N
587
+ ATOM 587 ND2 ASN A 76 25.173 28.633 43.337 1.00 66.61 N
588
+ ATOM 588 O ASN A 76 27.480 23.640 42.151 1.00 92.98 O
589
+ ATOM 589 OD1 ASN A 76 27.288 28.126 42.772 1.00 68.12 O
590
+ ATOM 590 C SER A 77 26.177 21.400 40.664 1.00 94.49 C
591
+ ATOM 591 CA SER A 77 25.297 22.051 41.725 1.00 94.43 C
592
+ ATOM 592 CB SER A 77 23.870 21.511 41.618 1.00 93.32 C
593
+ ATOM 593 N SER A 77 25.305 23.504 41.602 1.00 94.46 N
594
+ ATOM 594 O SER A 77 26.896 20.441 40.950 1.00 93.93 O
595
+ ATOM 595 OG SER A 77 23.851 20.102 41.765 1.00 74.58 O
596
+ ATOM 596 C ASP A 78 28.447 21.582 38.706 1.00 94.99 C
597
+ ATOM 597 CA ASP A 78 26.959 21.443 38.392 1.00 95.10 C
598
+ ATOM 598 CB ASP A 78 26.630 22.160 37.080 1.00 94.65 C
599
+ ATOM 599 CG ASP A 78 25.277 21.768 36.513 1.00 92.42 C
600
+ ATOM 600 N ASP A 78 26.141 21.968 39.481 1.00 94.90 N
601
+ ATOM 601 O ASP A 78 29.236 20.683 38.409 1.00 94.52 O
602
+ ATOM 602 OD1 ASP A 78 24.698 20.754 36.963 1.00 88.11 O
603
+ ATOM 603 OD2 ASP A 78 24.786 22.476 35.609 1.00 89.54 O
604
+ ATOM 604 C LEU A 79 30.615 21.867 40.702 1.00 94.58 C
605
+ ATOM 605 CA LEU A 79 30.198 22.875 39.636 1.00 95.01 C
606
+ ATOM 606 CB LEU A 79 30.439 24.300 40.140 1.00 94.58 C
607
+ ATOM 607 CD1 LEU A 79 32.846 24.469 39.460 1.00 89.29 C
608
+ ATOM 608 CD2 LEU A 79 31.922 26.027 41.197 1.00 88.95 C
609
+ ATOM 609 CG LEU A 79 31.859 24.620 40.612 1.00 92.77 C
610
+ ATOM 610 N LEU A 79 28.797 22.693 39.269 1.00 94.97 N
611
+ ATOM 611 O LEU A 79 31.707 21.299 40.632 1.00 93.75 O
612
+ ATOM 612 C GLY A 80 30.274 19.274 42.115 1.00 94.25 C
613
+ ATOM 613 CA GLY A 80 30.034 20.646 42.715 1.00 94.37 C
614
+ ATOM 614 N GLY A 80 29.755 21.666 41.717 1.00 94.38 N
615
+ ATOM 615 O GLY A 80 31.189 18.560 42.529 1.00 93.58 O
616
+ ATOM 616 C GLU A 81 30.930 17.620 39.649 1.00 94.64 C
617
+ ATOM 617 CA GLU A 81 29.618 17.670 40.427 1.00 94.59 C
618
+ ATOM 618 CB GLU A 81 28.438 17.422 39.484 1.00 93.43 C
619
+ ATOM 619 CD GLU A 81 28.379 14.893 39.719 1.00 76.40 C
620
+ ATOM 620 CG GLU A 81 28.492 16.077 38.773 1.00 83.15 C
621
+ ATOM 621 N GLU A 81 29.464 18.947 41.118 1.00 94.61 N
622
+ ATOM 622 O GLU A 81 31.609 16.591 39.632 1.00 94.08 O
623
+ ATOM 623 OE1 GLU A 81 27.940 15.080 40.876 1.00 73.17 O
624
+ ATOM 624 OE2 GLU A 81 28.733 13.768 39.299 1.00 71.34 O
625
+ ATOM 625 C LEU A 82 33.731 18.584 39.180 1.00 93.95 C
626
+ ATOM 626 CA LEU A 82 32.539 18.796 38.254 1.00 94.31 C
627
+ ATOM 627 CB LEU A 82 32.665 20.146 37.541 1.00 93.87 C
628
+ ATOM 628 CD1 LEU A 82 34.232 19.327 35.763 1.00 88.19 C
629
+ ATOM 629 CD2 LEU A 82 33.977 21.790 36.171 1.00 88.25 C
630
+ ATOM 630 CG LEU A 82 33.984 20.407 36.812 1.00 92.05 C
631
+ ATOM 631 N LEU A 82 31.285 18.725 38.995 1.00 94.21 N
632
+ ATOM 632 O LEU A 82 34.646 17.824 38.856 1.00 93.08 O
633
+ ATOM 633 C ILE A 83 34.894 17.663 41.790 1.00 93.58 C
634
+ ATOM 634 CA ILE A 83 34.811 19.102 41.288 1.00 93.97 C
635
+ ATOM 635 CB ILE A 83 34.614 20.073 42.473 1.00 93.49 C
636
+ ATOM 636 CD1 ILE A 83 34.382 22.560 43.046 1.00 88.87 C
637
+ ATOM 637 CG1 ILE A 83 34.798 21.524 42.012 1.00 91.60 C
638
+ ATOM 638 CG2 ILE A 83 35.578 19.735 43.615 1.00 90.92 C
639
+ ATOM 639 N ILE A 83 33.731 19.223 40.314 1.00 93.97 N
640
+ ATOM 640 O ILE A 83 35.987 17.103 41.912 1.00 92.76 O
641
+ ATOM 641 C ASN A 84 34.302 14.727 41.442 1.00 93.14 C
642
+ ATOM 642 CA ASN A 84 33.696 15.663 42.483 1.00 93.21 C
643
+ ATOM 643 CB ASN A 84 32.263 15.237 42.809 1.00 91.55 C
644
+ ATOM 644 CG ASN A 84 32.181 13.822 43.346 1.00 78.83 C
645
+ ATOM 645 N ASN A 84 33.729 17.052 42.041 1.00 93.48 N
646
+ ATOM 646 ND2 ASN A 84 31.204 13.061 42.867 1.00 65.13 N
647
+ ATOM 647 O ASN A 84 35.122 13.869 41.773 1.00 92.14 O
648
+ ATOM 648 OD1 ASN A 84 32.989 13.415 44.185 1.00 66.26 O
649
+ ATOM 649 C LYS A 85 35.903 14.310 38.903 1.00 92.16 C
650
+ ATOM 650 CA LYS A 85 34.414 14.069 39.142 1.00 92.39 C
651
+ ATOM 651 CB LYS A 85 33.634 14.285 37.843 1.00 91.78 C
652
+ ATOM 652 CD LYS A 85 32.002 12.442 38.369 1.00 87.83 C
653
+ ATOM 653 CE LYS A 85 30.534 12.061 38.507 1.00 83.98 C
654
+ ATOM 654 CG LYS A 85 32.167 13.891 37.931 1.00 89.85 C
655
+ ATOM 655 N LYS A 85 33.902 14.938 40.197 1.00 92.50 N
656
+ ATOM 656 NZ LYS A 85 30.364 10.753 39.206 1.00 79.07 N
657
+ ATOM 657 O LYS A 85 36.636 13.385 38.548 1.00 91.15 O
658
+ ATOM 658 C MET A 86 38.522 15.077 40.013 1.00 91.12 C
659
+ ATOM 659 CA MET A 86 37.714 15.824 38.956 1.00 91.88 C
660
+ ATOM 660 CB MET A 86 37.950 17.329 39.084 1.00 91.29 C
661
+ ATOM 661 CE MET A 86 39.154 19.023 41.492 1.00 83.41 C
662
+ ATOM 662 CG MET A 86 39.416 17.727 39.025 1.00 89.10 C
663
+ ATOM 663 N MET A 86 36.292 15.515 39.074 1.00 91.85 N
664
+ ATOM 664 O MET A 86 39.565 14.497 39.707 1.00 89.58 O
665
+ ATOM 665 SD MET A 86 40.199 17.779 40.683 1.00 89.62 S
666
+ ATOM 666 C LYS A 87 38.847 12.854 42.014 1.00 90.85 C
667
+ ATOM 667 CA LYS A 87 38.745 14.344 42.326 1.00 91.38 C
668
+ ATOM 668 CB LYS A 87 38.024 14.552 43.658 1.00 90.43 C
669
+ ATOM 669 CD LYS A 87 37.396 16.111 45.533 1.00 84.86 C
670
+ ATOM 670 CE LYS A 87 37.546 17.513 46.107 1.00 79.28 C
671
+ ATOM 671 CG LYS A 87 38.167 15.955 44.228 1.00 86.78 C
672
+ ATOM 672 N LYS A 87 38.058 15.060 41.254 1.00 91.58 N
673
+ ATOM 673 NZ LYS A 87 36.729 17.696 47.344 1.00 73.82 N
674
+ ATOM 674 O LYS A 87 39.890 12.236 42.245 1.00 89.63 O
675
+ ATOM 675 C LEU A 88 38.781 10.693 40.004 1.00 89.29 C
676
+ ATOM 676 CA LEU A 88 37.785 10.949 41.129 1.00 89.90 C
677
+ ATOM 677 CB LEU A 88 36.388 10.489 40.704 1.00 89.09 C
678
+ ATOM 678 CD1 LEU A 88 33.968 10.094 41.222 1.00 82.90 C
679
+ ATOM 679 CD2 LEU A 88 35.734 9.313 42.824 1.00 82.73 C
680
+ ATOM 680 CG LEU A 88 35.342 10.387 41.814 1.00 86.49 C
681
+ ATOM 681 N LEU A 88 37.768 12.362 41.496 1.00 90.12 N
682
+ ATOM 682 O LEU A 88 39.509 9.697 40.028 1.00 87.88 O
683
+ ATOM 683 C ALA A 89 41.212 11.442 38.473 1.00 87.96 C
684
+ ATOM 684 CA ALA A 89 39.771 11.410 37.973 1.00 88.87 C
685
+ ATOM 685 CB ALA A 89 39.545 12.512 36.941 1.00 88.10 C
686
+ ATOM 686 N ALA A 89 38.828 11.549 39.080 1.00 89.24 N
687
+ ATOM 687 O ALA A 89 42.070 10.719 37.961 1.00 85.91 O
688
+ ATOM 688 C GLN A 90 43.189 11.039 40.744 1.00 86.68 C
689
+ ATOM 689 CA GLN A 90 42.838 12.317 39.986 1.00 87.72 C
690
+ ATOM 690 CB GLN A 90 42.944 13.525 40.919 1.00 86.14 C
691
+ ATOM 691 CD GLN A 90 43.184 16.036 41.132 1.00 77.06 C
692
+ ATOM 692 CG GLN A 90 43.032 14.859 40.188 1.00 80.09 C
693
+ ATOM 693 N GLN A 90 41.504 12.233 39.404 1.00 88.31 N
694
+ ATOM 694 NE2 GLN A 90 44.179 16.877 40.877 1.00 72.31 N
695
+ ATOM 695 O GLN A 90 44.333 10.583 40.707 1.00 84.57 O
696
+ ATOM 696 OE1 GLN A 90 42.412 16.190 42.085 1.00 74.48 O
697
+ ATOM 697 C GLN A 91 42.670 8.140 41.498 1.00 85.96 C
698
+ ATOM 698 CA GLN A 91 42.375 9.380 42.338 1.00 86.76 C
699
+ ATOM 699 CB GLN A 91 41.148 9.137 43.219 1.00 84.62 C
700
+ ATOM 700 CD GLN A 91 40.110 7.806 45.105 1.00 71.18 C
701
+ ATOM 701 CG GLN A 91 41.314 7.986 44.201 1.00 76.03 C
702
+ ATOM 702 N GLN A 91 42.175 10.553 41.493 1.00 87.47 N
703
+ ATOM 703 NE2 GLN A 91 40.132 6.760 45.923 1.00 61.43 N
704
+ ATOM 704 O GLN A 91 43.472 7.292 41.895 1.00 83.34 O
705
+ ATOM 705 OE1 GLN A 91 39.166 8.604 45.069 1.00 67.69 O
706
+ ATOM 706 C TYR A 92 43.107 7.005 38.530 1.00 82.28 C
707
+ ATOM 707 CA TYR A 92 42.144 6.828 39.697 1.00 84.27 C
708
+ ATOM 708 CB TYR A 92 40.774 6.377 39.181 1.00 82.28 C
709
+ ATOM 709 CD1 TYR A 92 40.025 4.398 40.560 1.00 78.51 C
710
+ ATOM 710 CD2 TYR A 92 38.954 6.503 40.922 1.00 79.12 C
711
+ ATOM 711 CE1 TYR A 92 39.222 3.814 41.534 1.00 79.43 C
712
+ ATOM 712 CE2 TYR A 92 38.146 5.928 41.899 1.00 79.61 C
713
+ ATOM 713 CG TYR A 92 39.903 5.748 40.240 1.00 81.87 C
714
+ ATOM 714 CZ TYR A 92 38.288 4.586 42.197 1.00 76.68 C
715
+ ATOM 715 N TYR A 92 42.021 8.063 40.464 1.00 84.83 N
716
+ ATOM 716 O TYR A 92 43.028 6.278 37.537 1.00 77.33 O
717
+ ATOM 717 OH TYR A 92 37.490 4.013 43.163 1.00 72.60 O
718
+ ATOM 718 C VAL A 93 46.083 6.932 37.951 1.00 79.84 C
719
+ ATOM 719 CA VAL A 93 45.181 8.164 37.926 1.00 81.54 C
720
+ ATOM 720 CB VAL A 93 46.002 9.432 38.252 1.00 77.39 C
721
+ ATOM 721 CG1 VAL A 93 47.298 9.459 37.442 1.00 65.51 C
722
+ ATOM 722 CG2 VAL A 93 45.173 10.686 37.983 1.00 64.35 C
723
+ ATOM 723 N VAL A 93 44.076 7.986 38.860 1.00 82.99 N
724
+ ATOM 724 O VAL A 93 46.294 6.331 39.007 1.00 72.87 O
725
+ ATOM 725 C MET A 94 46.242 3.630 36.841 1.00 76.01 C
726
+ ATOM 726 CA MET A 94 47.010 4.927 36.617 1.00 76.26 C
727
+ ATOM 727 CB MET A 94 48.267 4.947 37.489 1.00 71.14 C
728
+ ATOM 728 CE MET A 94 51.359 5.233 35.933 1.00 52.71 C
729
+ ATOM 729 CG MET A 94 49.118 6.194 37.308 1.00 64.09 C
730
+ ATOM 730 N MET A 94 46.169 6.086 36.904 1.00 76.19 N
731
+ ATOM 731 O MET A 94 46.841 2.584 37.095 1.00 72.24 O
732
+ ATOM 732 SD MET A 94 49.902 6.277 35.651 1.00 59.43 S
733
+ ATOM 733 C THR A 95 43.406 2.495 35.591 1.00 83.11 C
734
+ ATOM 734 CA THR A 95 44.109 2.647 36.937 1.00 82.66 C
735
+ ATOM 735 CB THR A 95 43.060 2.698 38.064 1.00 79.41 C
736
+ ATOM 736 CG2 THR A 95 43.707 3.046 39.401 1.00 68.25 C
737
+ ATOM 737 N THR A 95 44.952 3.838 36.946 1.00 81.79 N
738
+ ATOM 738 O THR A 95 43.454 3.396 34.753 1.00 80.85 O
739
+ ATOM 739 OG1 THR A 95 42.075 3.689 37.749 1.00 68.09 O
740
+ ATOM 740 C SER A 96 40.881 2.003 33.999 1.00 80.95 C
741
+ ATOM 741 CA SER A 96 42.091 1.080 34.089 1.00 81.04 C
742
+ ATOM 742 CB SER A 96 41.636 -0.379 34.012 1.00 77.05 C
743
+ ATOM 743 N SER A 96 42.847 1.315 35.314 1.00 80.87 N
744
+ ATOM 744 O SER A 96 40.267 2.131 32.937 1.00 78.54 O
745
+ ATOM 745 OG SER A 96 40.826 -0.712 35.126 1.00 68.84 O
746
+ ATOM 746 C LEU A 97 39.611 4.947 34.799 1.00 85.01 C
747
+ ATOM 747 CA LEU A 97 39.302 3.486 35.103 1.00 84.91 C
748
+ ATOM 748 CB LEU A 97 38.631 3.368 36.473 1.00 82.94 C
749
+ ATOM 749 CD1 LEU A 97 37.582 1.985 38.283 1.00 75.68 C
750
+ ATOM 750 CD2 LEU A 97 36.953 1.595 35.886 1.00 76.16 C
751
+ ATOM 751 CG LEU A 97 38.075 1.991 36.840 1.00 79.56 C
752
+ ATOM 752 N LEU A 97 40.514 2.676 35.056 1.00 84.78 N
753
+ ATOM 753 O LEU A 97 38.715 5.793 34.816 1.00 82.98 O
754
+ ATOM 754 C GLN A 98 40.526 7.289 33.208 1.00 83.39 C
755
+ ATOM 755 CA GLN A 98 41.327 6.620 34.321 1.00 83.23 C
756
+ ATOM 756 CB GLN A 98 42.822 6.672 33.999 1.00 81.02 C
757
+ ATOM 757 CD GLN A 98 44.852 8.110 33.532 1.00 71.60 C
758
+ ATOM 758 CG GLN A 98 43.364 8.084 33.823 1.00 74.62 C
759
+ ATOM 759 N GLN A 98 40.895 5.242 34.526 1.00 83.61 N
760
+ ATOM 760 NE2 GLN A 98 45.443 9.299 33.563 1.00 65.46 N
761
+ ATOM 761 O GLN A 98 40.012 8.395 33.385 1.00 81.31 O
762
+ ATOM 762 OE1 GLN A 98 45.467 7.067 33.281 1.00 68.79 O
763
+ ATOM 763 C GLN A 99 38.220 7.432 31.229 1.00 86.23 C
764
+ ATOM 764 CA GLN A 99 39.711 7.248 30.966 1.00 85.23 C
765
+ ATOM 765 CB GLN A 99 39.922 6.374 29.729 1.00 82.54 C
766
+ ATOM 766 CD GLN A 99 41.777 7.843 28.828 1.00 68.93 C
767
+ ATOM 767 CG GLN A 99 41.337 6.431 29.169 1.00 73.21 C
768
+ ATOM 768 N GLN A 99 40.382 6.666 32.125 1.00 85.19 N
769
+ ATOM 769 NE2 GLN A 99 43.048 8.143 29.070 1.00 57.94 N
770
+ ATOM 770 O GLN A 99 37.616 8.400 30.760 1.00 85.25 O
771
+ ATOM 771 OE1 GLN A 99 40.980 8.657 28.348 1.00 64.53 O
772
+ ATOM 772 C GLU A 100 35.923 7.846 33.168 1.00 88.99 C
773
+ ATOM 773 CA GLU A 100 36.179 6.613 32.307 1.00 88.53 C
774
+ ATOM 774 CB GLU A 100 35.682 5.356 33.025 1.00 86.74 C
775
+ ATOM 775 CD GLU A 100 33.289 5.572 32.197 1.00 73.93 C
776
+ ATOM 776 CG GLU A 100 34.206 5.405 33.398 1.00 78.54 C
777
+ ATOM 777 N GLU A 100 37.595 6.486 31.974 1.00 88.71 N
778
+ ATOM 778 O GLU A 100 34.976 8.596 32.921 1.00 87.87 O
779
+ ATOM 779 OE1 GLU A 100 33.698 5.222 31.067 1.00 70.23 O
780
+ ATOM 780 OE2 GLU A 100 32.151 6.057 32.388 1.00 67.05 O
781
+ ATOM 781 C TYR A 101 36.916 10.532 34.332 1.00 89.03 C
782
+ ATOM 782 CA TYR A 101 36.547 9.217 35.008 1.00 89.24 C
783
+ ATOM 783 CB TYR A 101 37.349 9.054 36.303 1.00 88.22 C
784
+ ATOM 784 CD1 TYR A 101 35.484 8.258 37.809 1.00 82.75 C
785
+ ATOM 785 CD2 TYR A 101 37.450 6.913 37.635 1.00 83.04 C
786
+ ATOM 786 CE1 TYR A 101 34.929 7.343 38.698 1.00 81.72 C
787
+ ATOM 787 CE2 TYR A 101 36.905 5.991 38.522 1.00 82.45 C
788
+ ATOM 788 CG TYR A 101 36.750 8.057 37.266 1.00 85.96 C
789
+ ATOM 789 CZ TYR A 101 35.646 6.215 39.048 1.00 78.72 C
790
+ ATOM 790 N TYR A 101 36.781 8.087 34.116 1.00 89.04 N
791
+ ATOM 791 O TYR A 101 36.335 11.577 34.634 1.00 87.73 O
792
+ ATOM 792 OH TYR A 101 35.102 5.305 39.928 1.00 76.24 O
793
+ ATOM 793 C LYS A 102 36.881 12.058 31.798 1.00 88.81 C
794
+ ATOM 794 CA LYS A 102 38.103 11.700 32.639 1.00 88.20 C
795
+ ATOM 795 CB LYS A 102 39.315 11.480 31.733 1.00 86.07 C
796
+ ATOM 796 CD LYS A 102 41.819 11.503 31.471 1.00 74.17 C
797
+ ATOM 797 CE LYS A 102 43.158 11.624 32.184 1.00 66.99 C
798
+ ATOM 798 CG LYS A 102 40.653 11.616 32.445 1.00 77.41 C
799
+ ATOM 799 N LYS A 102 37.851 10.516 33.456 1.00 88.17 N
800
+ ATOM 800 NZ LYS A 102 44.304 11.514 31.233 1.00 60.53 N
801
+ ATOM 801 O LYS A 102 36.516 13.231 31.692 1.00 88.06 O
802
+ ATOM 802 C LYS A 103 33.985 11.805 31.288 1.00 90.65 C
803
+ ATOM 803 CA LYS A 103 35.111 11.231 30.433 1.00 89.92 C
804
+ ATOM 804 CB LYS A 103 34.658 9.929 29.773 1.00 88.05 C
805
+ ATOM 805 CD LYS A 103 33.078 8.767 28.195 1.00 73.78 C
806
+ ATOM 806 CE LYS A 103 31.845 8.913 27.314 1.00 65.44 C
807
+ ATOM 807 CG LYS A 103 33.456 10.087 28.852 1.00 78.41 C
808
+ ATOM 808 N LYS A 103 36.315 11.010 31.230 1.00 89.85 N
809
+ ATOM 809 NZ LYS A 103 31.460 7.616 26.678 1.00 57.41 N
810
+ ATOM 810 O LYS A 103 33.261 12.703 30.849 1.00 90.03 O
811
+ ATOM 811 C GLN A 104 33.056 13.258 33.804 1.00 91.39 C
812
+ ATOM 812 CA GLN A 104 32.795 11.800 33.440 1.00 91.13 C
813
+ ATOM 813 CB GLN A 104 32.727 10.947 34.708 1.00 89.92 C
814
+ ATOM 814 CD GLN A 104 31.950 8.789 35.779 1.00 80.48 C
815
+ ATOM 815 CG GLN A 104 32.135 9.561 34.487 1.00 84.04 C
816
+ ATOM 816 N GLN A 104 33.819 11.291 32.535 1.00 91.01 N
817
+ ATOM 817 NE2 GLN A 104 31.929 7.463 35.680 1.00 76.51 N
818
+ ATOM 818 O GLN A 104 32.120 14.049 33.932 1.00 90.71 O
819
+ ATOM 819 OE1 GLN A 104 31.827 9.377 36.857 1.00 78.41 O
820
+ ATOM 820 C MET A 105 34.289 15.876 33.188 1.00 91.55 C
821
+ ATOM 821 CA MET A 105 34.660 14.954 34.345 1.00 91.80 C
822
+ ATOM 822 CB MET A 105 36.156 15.062 34.641 1.00 90.97 C
823
+ ATOM 823 CE MET A 105 38.851 18.068 34.705 1.00 81.51 C
824
+ ATOM 824 CG MET A 105 36.597 16.450 35.077 1.00 87.66 C
825
+ ATOM 825 N MET A 105 34.293 13.572 34.049 1.00 91.62 N
826
+ ATOM 826 O MET A 105 33.729 16.953 33.401 1.00 90.50 O
827
+ ATOM 827 SD MET A 105 38.377 16.516 35.518 1.00 87.73 S
828
+ ATOM 828 C LEU A 106 32.723 16.388 30.577 1.00 91.93 C
829
+ ATOM 829 CA LEU A 106 34.231 16.256 30.759 1.00 91.62 C
830
+ ATOM 830 CB LEU A 106 34.855 15.624 29.512 1.00 90.13 C
831
+ ATOM 831 CD1 LEU A 106 36.865 14.898 28.202 1.00 73.93 C
832
+ ATOM 832 CD2 LEU A 106 36.832 17.156 29.297 1.00 73.83 C
833
+ ATOM 833 CG LEU A 106 36.378 15.704 29.401 1.00 82.29 C
834
+ ATOM 834 N LEU A 106 34.544 15.464 31.943 1.00 91.44 N
835
+ ATOM 835 O LEU A 106 32.231 17.445 30.173 1.00 91.27 O
836
+ ATOM 836 C THR A 107 30.004 16.343 31.819 1.00 93.43 C
837
+ ATOM 837 CA THR A 107 30.581 15.339 30.826 1.00 93.10 C
838
+ ATOM 838 CB THR A 107 29.977 13.948 31.090 1.00 91.93 C
839
+ ATOM 839 CG2 THR A 107 28.453 13.995 31.067 1.00 81.02 C
840
+ ATOM 840 N THR A 107 32.037 15.309 30.907 1.00 92.95 N
841
+ ATOM 841 O THR A 107 29.089 17.100 31.484 1.00 92.97 O
842
+ ATOM 842 OG1 THR A 107 30.430 13.037 30.081 1.00 81.75 O
843
+ ATOM 843 C ALA A 108 30.395 18.732 33.568 1.00 94.51 C
844
+ ATOM 844 CA ALA A 108 30.117 17.296 34.003 1.00 94.44 C
845
+ ATOM 845 CB ALA A 108 30.798 17.007 35.339 1.00 93.90 C
846
+ ATOM 846 N ALA A 108 30.562 16.344 32.989 1.00 94.13 N
847
+ ATOM 847 O ALA A 108 29.571 19.623 33.784 1.00 94.11 O
848
+ ATOM 848 C ALA A 109 30.942 20.767 31.379 1.00 93.91 C
849
+ ATOM 849 CA ALA A 109 31.892 20.322 32.487 1.00 94.16 C
850
+ ATOM 850 CB ALA A 109 33.334 20.342 31.985 1.00 93.44 C
851
+ ATOM 851 N ALA A 109 31.541 18.991 32.975 1.00 93.91 N
852
+ ATOM 852 O ALA A 109 30.527 21.928 31.338 1.00 93.09 O
853
+ ATOM 853 C HIS A 110 28.304 20.448 29.956 1.00 94.49 C
854
+ ATOM 854 CA HIS A 110 29.685 20.094 29.415 1.00 94.33 C
855
+ ATOM 855 CB HIS A 110 29.584 18.908 28.456 1.00 92.17 C
856
+ ATOM 856 CD2 HIS A 110 28.805 19.930 26.203 1.00 63.07 C
857
+ ATOM 857 CE1 HIS A 110 26.853 18.942 26.070 1.00 58.19 C
858
+ ATOM 858 CG HIS A 110 28.668 19.146 27.299 1.00 75.18 C
859
+ ATOM 859 N HIS A 110 30.615 19.798 30.499 1.00 94.31 N
860
+ ATOM 860 ND1 HIS A 110 27.435 18.541 27.189 1.00 60.05 N
861
+ ATOM 861 NE2 HIS A 110 27.664 19.784 25.454 1.00 57.62 N
862
+ ATOM 862 O HIS A 110 27.667 21.389 29.475 1.00 93.86 O
863
+ ATOM 863 C ALA A 111 26.526 21.394 32.150 1.00 95.24 C
864
+ ATOM 864 CA ALA A 111 26.547 19.981 31.574 1.00 95.12 C
865
+ ATOM 865 CB ALA A 111 26.244 18.959 32.666 1.00 94.28 C
866
+ ATOM 866 N ALA A 111 27.833 19.689 30.946 1.00 94.97 N
867
+ ATOM 867 O ALA A 111 25.511 22.089 32.071 1.00 94.89 O
868
+ ATOM 868 C LEU A 112 27.637 24.169 32.203 1.00 95.25 C
869
+ ATOM 869 CA LEU A 112 27.769 23.111 33.293 1.00 95.38 C
870
+ ATOM 870 CB LEU A 112 29.109 23.269 34.016 1.00 94.62 C
871
+ ATOM 871 CD1 LEU A 112 28.368 24.740 35.907 1.00 76.94 C
872
+ ATOM 872 CD2 LEU A 112 30.781 24.705 35.217 1.00 76.63 C
873
+ ATOM 873 CG LEU A 112 29.337 24.598 34.737 1.00 88.41 C
874
+ ATOM 874 N LEU A 112 27.645 21.770 32.734 1.00 95.30 N
875
+ ATOM 875 O LEU A 112 26.923 25.159 32.376 1.00 94.67 O
876
+ ATOM 876 C ALA A 113 26.795 25.033 29.391 1.00 94.86 C
877
+ ATOM 877 CA ALA A 113 28.216 24.927 29.936 1.00 95.12 C
878
+ ATOM 878 CB ALA A 113 29.178 24.509 28.827 1.00 94.09 C
879
+ ATOM 879 N ALA A 113 28.282 23.983 31.050 1.00 95.10 N
880
+ ATOM 880 O ALA A 113 26.318 26.131 29.094 1.00 94.08 O
881
+ ATOM 881 C VAL A 114 23.838 24.633 29.730 1.00 94.99 C
882
+ ATOM 882 CA VAL A 114 24.765 23.886 28.774 1.00 95.11 C
883
+ ATOM 883 CB VAL A 114 24.260 22.441 28.564 1.00 94.18 C
884
+ ATOM 884 CG1 VAL A 114 22.753 22.426 28.313 1.00 83.99 C
885
+ ATOM 885 CG2 VAL A 114 25.004 21.781 27.404 1.00 83.02 C
886
+ ATOM 886 N VAL A 114 26.130 23.908 29.290 1.00 95.07 N
887
+ ATOM 887 O VAL A 114 22.994 25.421 29.298 1.00 94.41 O
888
+ ATOM 888 C ASP A 115 23.504 26.554 32.067 1.00 95.48 C
889
+ ATOM 889 CA ASP A 115 23.213 25.057 31.997 1.00 95.52 C
890
+ ATOM 890 CB ASP A 115 23.395 24.420 33.377 1.00 94.90 C
891
+ ATOM 891 CG ASP A 115 22.766 23.043 33.482 1.00 91.77 C
892
+ ATOM 892 N ASP A 115 24.070 24.402 31.014 1.00 95.26 N
893
+ ATOM 893 O ASP A 115 22.618 27.348 32.393 1.00 95.07 O
894
+ ATOM 894 OD1 ASP A 115 21.904 22.700 32.645 1.00 85.80 O
895
+ ATOM 895 OD2 ASP A 115 23.134 22.293 34.413 1.00 87.75 O
896
+ ATOM 896 C ALA A 116 24.321 29.021 30.563 1.00 95.09 C
897
+ ATOM 897 CA ALA A 116 25.058 28.364 31.726 1.00 95.48 C
898
+ ATOM 898 CB ALA A 116 26.565 28.570 31.581 1.00 94.90 C
899
+ ATOM 899 N ALA A 116 24.746 26.939 31.807 1.00 95.43 N
900
+ ATOM 900 O ALA A 116 23.781 30.120 30.705 1.00 94.28 O
901
+ ATOM 901 C LYS A 117 22.071 28.924 28.603 1.00 93.40 C
902
+ ATOM 902 CA LYS A 117 23.558 28.840 28.271 1.00 93.72 C
903
+ ATOM 903 CB LYS A 117 23.772 27.950 27.046 1.00 91.90 C
904
+ ATOM 904 CD LYS A 117 22.798 27.282 24.823 1.00 73.05 C
905
+ ATOM 905 CE LYS A 117 21.977 27.736 23.623 1.00 65.79 C
906
+ ATOM 906 CG LYS A 117 23.042 28.426 25.799 1.00 79.01 C
907
+ ATOM 907 N LYS A 117 24.323 28.338 29.409 1.00 93.78 N
908
+ ATOM 908 NZ LYS A 117 21.245 26.598 22.990 1.00 58.05 N
909
+ ATOM 909 O LYS A 117 21.399 29.887 28.225 1.00 92.29 O
910
+ ATOM 910 C ASN A 118 19.812 29.134 30.689 1.00 94.25 C
911
+ ATOM 911 CA ASN A 118 20.109 27.945 29.781 1.00 94.22 C
912
+ ATOM 912 CB ASN A 118 19.734 26.637 30.480 1.00 92.94 C
913
+ ATOM 913 CG ASN A 118 19.658 25.464 29.522 1.00 82.32 C
914
+ ATOM 914 N ASN A 118 21.509 27.922 29.369 1.00 94.19 N
915
+ ATOM 915 ND2 ASN A 118 19.729 24.252 30.060 1.00 68.66 N
916
+ ATOM 916 O ASN A 118 18.749 29.748 30.588 1.00 93.59 O
917
+ ATOM 917 OD1 ASN A 118 19.535 25.645 28.308 1.00 69.94 O
918
+ ATOM 918 C LEU A 119 20.502 31.893 31.606 1.00 94.71 C
919
+ ATOM 919 CA LEU A 119 20.619 30.622 32.439 1.00 95.08 C
920
+ ATOM 920 CB LEU A 119 21.803 30.737 33.403 1.00 94.80 C
921
+ ATOM 921 CD1 LEU A 119 20.723 32.147 35.173 1.00 91.31 C
922
+ ATOM 922 CD2 LEU A 119 23.223 32.101 34.960 1.00 91.11 C
923
+ ATOM 923 CG LEU A 119 21.898 32.034 34.208 1.00 93.63 C
924
+ ATOM 924 N LEU A 119 20.769 29.451 31.583 1.00 95.01 N
925
+ ATOM 925 O LEU A 119 19.656 32.747 31.884 1.00 93.95 O
926
+ ATOM 926 C LEU A 120 19.931 33.247 29.014 1.00 93.54 C
927
+ ATOM 927 CA LEU A 120 21.293 33.162 29.694 1.00 94.27 C
928
+ ATOM 928 CB LEU A 120 22.400 33.097 28.638 1.00 93.66 C
929
+ ATOM 929 CD1 LEU A 120 22.653 35.565 28.272 1.00 85.81 C
930
+ ATOM 930 CD2 LEU A 120 23.472 33.951 26.534 1.00 85.58 C
931
+ ATOM 931 CG LEU A 120 22.412 34.218 27.598 1.00 90.85 C
932
+ ATOM 932 N LEU A 120 21.363 32.005 30.580 1.00 94.28 N
933
+ ATOM 933 O LEU A 120 19.362 34.333 28.885 1.00 92.23 O
934
+ ATOM 934 C ASP A 121 17.015 32.563 28.897 1.00 92.85 C
935
+ ATOM 935 CA ASP A 121 18.107 32.088 27.942 1.00 92.98 C
936
+ ATOM 936 CB ASP A 121 17.788 30.681 27.436 1.00 91.98 C
937
+ ATOM 937 CG ASP A 121 18.651 30.264 26.256 1.00 87.29 C
938
+ ATOM 938 N ASP A 121 19.417 32.117 28.585 1.00 93.03 N
939
+ ATOM 939 O ASP A 121 16.121 33.315 28.503 1.00 92.02 O
940
+ ATOM 940 OD1 ASP A 121 19.304 31.135 25.642 1.00 83.12 O
941
+ ATOM 941 OD2 ASP A 121 18.674 29.056 25.938 1.00 84.40 O
942
+ ATOM 942 C VAL A 122 16.169 34.011 31.326 1.00 93.00 C
943
+ ATOM 943 CA VAL A 122 16.104 32.502 31.108 1.00 93.23 C
944
+ ATOM 944 CB VAL A 122 16.323 31.760 32.445 1.00 92.32 C
945
+ ATOM 945 CG1 VAL A 122 15.460 32.370 33.548 1.00 84.70 C
946
+ ATOM 946 CG2 VAL A 122 16.020 30.271 32.285 1.00 83.24 C
947
+ ATOM 947 N VAL A 122 17.090 32.104 30.107 1.00 93.16 N
948
+ ATOM 948 O VAL A 122 15.134 34.678 31.406 1.00 92.10 O
949
+ ATOM 949 C ILE A 123 17.093 36.759 30.422 1.00 92.91 C
950
+ ATOM 950 CA ILE A 123 17.559 35.979 31.649 1.00 93.55 C
951
+ ATOM 951 CB ILE A 123 19.030 36.322 31.975 1.00 93.03 C
952
+ ATOM 952 CD1 ILE A 123 20.875 35.964 33.718 1.00 87.01 C
953
+ ATOM 953 CG1 ILE A 123 19.400 35.809 33.372 1.00 90.28 C
954
+ ATOM 954 CG2 ILE A 123 19.270 37.830 31.865 1.00 89.38 C
955
+ ATOM 955 N ILE A 123 17.383 34.550 31.420 1.00 93.49 N
956
+ ATOM 956 O ILE A 123 16.447 37.802 30.550 1.00 91.68 O
957
+ ATOM 957 C ASP A 124 15.370 36.966 27.967 1.00 91.52 C
958
+ ATOM 958 CA ASP A 124 16.895 36.902 28.008 1.00 92.31 C
959
+ ATOM 959 CB ASP A 124 17.422 36.159 26.779 1.00 91.71 C
960
+ ATOM 960 CG ASP A 124 18.906 36.382 26.542 1.00 90.13 C
961
+ ATOM 961 N ASP A 124 17.360 36.261 29.234 1.00 92.38 N
962
+ ATOM 962 O ASP A 124 14.796 37.985 27.574 1.00 90.16 O
963
+ ATOM 963 OD1 ASP A 124 19.500 37.271 27.190 1.00 88.34 O
964
+ ATOM 964 OD2 ASP A 124 19.485 35.666 25.698 1.00 88.27 O
965
+ ATOM 965 C GLN A 125 12.784 36.918 29.395 1.00 90.53 C
966
+ ATOM 966 CA GLN A 125 13.300 35.877 28.405 1.00 90.41 C
967
+ ATOM 967 CB GLN A 125 12.775 34.490 28.780 1.00 87.82 C
968
+ ATOM 968 CD GLN A 125 12.402 32.088 28.072 1.00 68.84 C
969
+ ATOM 969 CG GLN A 125 12.901 33.462 27.664 1.00 74.22 C
970
+ ATOM 970 N GLN A 125 14.758 35.876 28.355 1.00 90.85 N
971
+ ATOM 971 NE2 GLN A 125 12.691 31.085 27.252 1.00 56.79 N
972
+ ATOM 972 O GLN A 125 11.792 37.598 29.127 1.00 89.15 O
973
+ ATOM 973 OE1 GLN A 125 11.762 31.931 29.117 1.00 62.80 O
974
+ ATOM 974 C ALA A 126 13.185 39.441 30.907 1.00 90.86 C
975
+ ATOM 975 CA ALA A 126 13.033 38.038 31.488 1.00 91.31 C
976
+ ATOM 976 CB ALA A 126 13.877 37.894 32.751 1.00 90.70 C
977
+ ATOM 977 N ALA A 126 13.405 37.021 30.508 1.00 91.21 N
978
+ ATOM 978 O ALA A 126 12.336 40.308 31.130 1.00 89.71 O
979
+ ATOM 979 C ARG A 127 13.411 41.333 28.570 1.00 89.22 C
980
+ ATOM 980 CA ARG A 127 14.492 41.018 29.599 1.00 90.25 C
981
+ ATOM 981 CB ARG A 127 15.871 41.052 28.939 1.00 89.41 C
982
+ ATOM 982 CD ARG A 127 18.367 40.904 29.239 1.00 85.40 C
983
+ ATOM 983 CG ARG A 127 17.025 41.117 29.926 1.00 87.04 C
984
+ ATOM 984 CZ ARG A 127 20.728 40.683 29.943 1.00 81.07 C
985
+ ATOM 985 N ARG A 127 14.255 39.722 30.228 1.00 90.40 N
986
+ ATOM 986 NE ARG A 127 19.483 41.094 30.163 1.00 83.20 N
987
+ ATOM 987 NH1 ARG A 127 21.043 40.045 28.821 1.00 75.71 N
988
+ ATOM 988 NH2 ARG A 127 21.665 40.908 30.852 1.00 75.23 N
989
+ ATOM 989 O ARG A 127 12.943 42.469 28.482 1.00 87.59 O
990
+ ATOM 990 C LEU A 128 10.699 40.833 27.498 1.00 87.55 C
991
+ ATOM 991 CA LEU A 128 12.036 40.502 26.842 1.00 88.33 C
992
+ ATOM 992 CB LEU A 128 11.893 39.251 25.971 1.00 86.94 C
993
+ ATOM 993 CD1 LEU A 128 12.863 37.618 24.334 1.00 76.55 C
994
+ ATOM 994 CD2 LEU A 128 12.993 40.081 23.872 1.00 76.53 C
995
+ ATOM 995 CG LEU A 128 13.008 39.005 24.952 1.00 81.91 C
996
+ ATOM 996 N LEU A 128 13.074 40.310 27.848 1.00 88.69 N
997
+ ATOM 997 O LEU A 128 9.946 41.672 26.995 1.00 85.81 O
998
+ ATOM 998 C LYS A 129 9.210 41.922 29.758 1.00 86.72 C
999
+ ATOM 999 CA LYS A 129 9.191 40.477 29.269 1.00 87.14 C
1000
+ ATOM 1000 CB LYS A 129 9.027 39.525 30.454 1.00 85.08 C
1001
+ ATOM 1001 CD LYS A 129 8.363 37.246 31.293 1.00 72.58 C
1002
+ ATOM 1002 CE LYS A 129 7.959 35.830 30.904 1.00 66.09 C
1003
+ ATOM 1003 CG LYS A 129 8.564 38.127 30.068 1.00 76.50 C
1004
+ ATOM 1004 N LYS A 129 10.405 40.159 28.521 1.00 87.40 N
1005
+ ATOM 1005 NZ LYS A 129 7.753 34.964 32.103 1.00 60.48 N
1006
+ ATOM 1006 O LYS A 129 8.179 42.598 29.751 1.00 85.05 O
1007
+ ATOM 1007 C MET A 130 10.287 44.681 29.542 1.00 85.40 C
1008
+ ATOM 1008 CA MET A 130 10.514 43.694 30.681 1.00 86.65 C
1009
+ ATOM 1009 CB MET A 130 11.906 43.900 31.283 1.00 84.82 C
1010
+ ATOM 1010 CE MET A 130 14.845 45.337 31.447 1.00 68.75 C
1011
+ ATOM 1011 CG MET A 130 12.092 45.256 31.946 1.00 78.33 C
1012
+ ATOM 1012 N MET A 130 10.354 42.318 30.219 1.00 87.03 N
1013
+ ATOM 1013 O MET A 130 9.620 45.700 29.722 1.00 83.16 O
1014
+ ATOM 1014 SD MET A 130 13.687 45.385 32.843 1.00 77.96 S
1015
+ ATOM 1015 C LEU A 131 9.203 45.325 26.795 1.00 81.84 C
1016
+ ATOM 1016 CA LEU A 131 10.655 45.289 27.259 1.00 83.25 C
1017
+ ATOM 1017 CB LEU A 131 11.559 44.828 26.113 1.00 81.16 C
1018
+ ATOM 1018 CD1 LEU A 131 13.843 44.317 25.212 1.00 69.92 C
1019
+ ATOM 1019 CD2 LEU A 131 13.401 46.519 26.332 1.00 70.17 C
1020
+ ATOM 1020 CG LEU A 131 13.062 45.033 26.309 1.00 75.25 C
1021
+ ATOM 1021 N LEU A 131 10.809 44.413 28.416 1.00 84.09 N
1022
+ ATOM 1022 O LEU A 131 8.715 46.367 26.351 1.00 78.85 O
1023
+ ATOM 1023 C GLY A 132 6.314 44.754 27.175 1.00 79.05 C
1024
+ ATOM 1024 CA GLY A 132 7.254 44.024 26.235 1.00 79.90 C
1025
+ ATOM 1025 N GLY A 132 8.647 44.104 26.645 1.00 80.70 N
1026
+ ATOM 1026 O GLY A 132 5.213 45.145 26.781 1.00 74.79 O
1027
+ ATOM 1027 C GLN A 133 5.959 47.045 29.207 1.00 65.43 C
1028
+ ATOM 1028 CA GLN A 133 5.766 45.542 29.380 1.00 70.32 C
1029
+ ATOM 1029 CB GLN A 133 6.131 45.126 30.806 1.00 61.93 C
1030
+ ATOM 1030 CD GLN A 133 6.108 43.310 32.568 1.00 55.40 C
1031
+ ATOM 1031 CG GLN A 133 5.696 43.712 31.165 1.00 55.56 C
1032
+ ATOM 1032 N GLN A 133 6.558 44.795 28.409 1.00 68.83 N
1033
+ ATOM 1033 NE2 GLN A 133 5.563 42.198 33.051 1.00 49.20 N
1034
+ ATOM 1034 O GLN A 133 5.097 47.836 29.597 1.00 60.32 O
1035
+ ATOM 1035 OE1 GLN A 133 6.910 43.992 33.214 1.00 61.59 O
1036
+ ATOM 1036 C THR A 134 6.513 49.427 26.873 1.00 48.72 C
1037
+ ATOM 1037 CA THR A 134 7.138 49.022 28.204 1.00 54.52 C
1038
+ ATOM 1038 CB THR A 134 8.636 49.377 28.200 1.00 46.95 C
1039
+ ATOM 1039 CG2 THR A 134 9.110 49.779 29.593 1.00 36.45 C
1040
+ ATOM 1040 N THR A 134 6.932 47.601 28.461 1.00 49.55 N
1041
+ ATOM 1041 O THR A 134 5.919 50.502 26.761 1.00 48.59 O
1042
+ ATOM 1042 OG1 THR A 134 9.390 48.240 27.761 1.00 37.26 O
1043
+ TER 1043 THR A 134
1044
+ END
1ow8/1ow8_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1prl/1prl_ligand.mol2 ADDED
@@ -0,0 +1,323 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1prl_ligand
7
+ 152 155 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 2.1760 16.4660 9.4510 N.4 1 ALA 0.2377
14
+ 2 CA 3.1570 15.7660 10.3280 C.3 1 ALA 0.0621
15
+ 3 C 3.5830 14.4530 9.6680 C.2 1 ALA 0.2265
16
+ 4 O 3.1400 14.1180 8.5870 O.2 1 ALA -0.3907
17
+ 5 CB 2.5100 15.4700 11.6820 C.3 1 ALA -0.0040
18
+ 6 H1 1.8948 17.3312 9.8851 H 1 ALA 0.2015
19
+ 7 H2 1.3674 15.8794 9.3162 H 1 ALA 0.2015
20
+ 8 H3 2.6023 16.6609 8.5586 H 1 ALA 0.2015
21
+ 9 H4 4.0395 16.4059 10.4753 H 1 ALA 0.1095
22
+ 10 H5 3.2340 14.9534 12.3292 H 1 ALA 0.0310
23
+ 11 H6 1.6278 14.8297 11.5347 H 1 ALA 0.0310
24
+ 12 H7 2.2030 16.4140 12.1559 H 1 ALA 0.0310
25
+ 13 N 4.4380 13.7070 10.3100 N.am 1 PHE -0.2592
26
+ 14 CA 4.8900 12.4160 9.7180 C.3 1 PHE 0.1406
27
+ 15 C 5.5750 12.6840 8.3760 C.2 1 PHE 0.2059
28
+ 16 O 5.0600 12.3480 7.3290 O.2 1 PHE -0.3942
29
+ 17 CB 3.6820 11.5040 9.5000 C.3 1 PHE 0.0214
30
+ 18 CG 3.6760 10.4020 10.5620 C.ar 1 PHE -0.0386
31
+ 19 CD1 4.5950 9.3710 10.5080 C.ar 1 PHE -0.0601
32
+ 20 CD2 2.7500 10.4250 11.5900 C.ar 1 PHE -0.0601
33
+ 21 CE1 4.5890 8.3790 11.4670 C.ar 1 PHE -0.0686
34
+ 22 CE2 2.7450 9.4320 12.5470 C.ar 1 PHE -0.0686
35
+ 23 CZ 3.6640 8.4090 12.4860 C.ar 1 PHE -0.0687
36
+ 24 H8 4.7902 14.0007 11.1987 H 1 PHE 0.1886
37
+ 25 H9 5.5999 11.9274 10.4015 H 1 PHE 0.0823
38
+ 26 H10 3.7417 11.0492 8.5002 H 1 PHE 0.0474
39
+ 27 H11 2.7575 12.0948 9.5796 H 1 PHE 0.0474
40
+ 28 H12 5.3250 9.3416 9.7072 H 1 PHE 0.0557
41
+ 29 H13 2.0242 11.2284 11.6434 H 1 PHE 0.0557
42
+ 30 H14 5.3140 7.5746 11.4179 H 1 PHE 0.0599
43
+ 31 H15 2.0159 9.4571 13.3488 H 1 PHE 0.0599
44
+ 32 H16 3.6593 7.6289 13.2386 H 1 PHE 0.0559
45
+ 33 N 6.7320 13.2860 8.3980 N.am 1 ALA -0.2639
46
+ 34 CA 7.4450 13.5730 7.1220 C.3 1 ALA 0.1284
47
+ 35 C 7.5720 12.2760 6.3110 C.2 1 ALA 0.2061
48
+ 36 O 7.9280 11.2500 6.8530 O.2 1 ALA -0.3942
49
+ 37 CB 8.8410 14.1170 7.4320 C.3 1 ALA -0.0244
50
+ 38 H17 7.1399 13.5546 9.2706 H 1 ALA 0.1883
51
+ 39 H18 6.8795 14.3173 6.5422 H 1 ALA 0.0797
52
+ 40 H19 9.3690 14.3295 6.4907 H 1 ALA 0.0277
53
+ 41 H20 9.4060 13.3699 8.0087 H 1 ALA 0.0277
54
+ 42 H21 8.7517 15.0427 8.0194 H 1 ALA 0.0277
55
+ 43 N 7.2780 12.3600 5.0350 N.am 1 PRO -0.2498
56
+ 44 CA 7.3550 11.1930 4.1340 C.3 1 PRO 0.1340
57
+ 45 C 8.7980 10.6750 4.0540 C.2 1 PRO 0.2066
58
+ 46 O 9.6460 11.3150 3.4650 O.2 1 PRO -0.3942
59
+ 47 CB 6.9040 11.7240 2.7660 C.3 1 PRO -0.0104
60
+ 48 CG 6.5830 13.2320 2.9260 C.3 1 PRO -0.0281
61
+ 49 CD 6.8530 13.6150 4.3890 C.3 1 PRO 0.0369
62
+ 50 H22 6.6901 10.3878 4.4796 H 1 PRO 0.0802
63
+ 51 H23 6.0059 11.1836 2.4323 H 1 PRO 0.0313
64
+ 52 H24 7.7086 11.5889 2.0282 H 1 PRO 0.0313
65
+ 53 H25 5.5275 13.4186 2.6787 H 1 PRO 0.0287
66
+ 54 H26 7.2262 13.8247 2.2589 H 1 PRO 0.0287
67
+ 55 H27 7.6492 14.3715 4.4508 H 1 PRO 0.0524
68
+ 56 H28 5.9396 14.0044 4.8624 H 1 PRO 0.0524
69
+ 57 N 9.0360 9.5280 4.6430 N.am 1 PRO -0.2498
70
+ 58 CA 10.3770 8.9150 4.6450 C.3 1 PRO 0.1338
71
+ 59 C 10.8270 8.6230 3.2100 C.2 1 PRO 0.2041
72
+ 60 O 10.0410 8.2300 2.3720 O.2 1 PRO -0.3944
73
+ 61 CB 10.2120 7.6090 5.4340 C.3 1 PRO -0.0104
74
+ 62 CG 8.7300 7.5120 5.8810 C.3 1 PRO -0.0281
75
+ 63 CD 7.9970 8.7510 5.3440 C.3 1 PRO 0.0369
76
+ 64 H29 11.1075 9.5757 5.1347 H 1 PRO 0.0802
77
+ 65 H30 10.8694 7.6185 6.3159 H 1 PRO 0.0313
78
+ 66 H31 10.4676 6.7506 4.7953 H 1 PRO 0.0313
79
+ 67 H32 8.6708 7.4886 6.9791 H 1 PRO 0.0287
80
+ 68 H33 8.2738 6.5995 5.4697 H 1 PRO 0.0287
81
+ 69 H34 7.1973 8.4570 4.6483 H 1 PRO 0.0524
82
+ 70 H35 7.5673 9.3357 6.1707 H 1 PRO 0.0524
83
+ 71 N 12.0860 8.8180 2.9210 N.am 1 LEU -0.2637
84
+ 72 CA 12.5830 8.5510 1.5420 C.3 1 LEU 0.1314
85
+ 73 C 11.9900 7.2260 1.0390 C.2 1 LEU 0.2064
86
+ 74 O 12.2290 6.1910 1.6290 O.2 1 LEU -0.3942
87
+ 75 CB 14.1100 8.4450 1.5650 C.3 1 LEU -0.0101
88
+ 76 CG 14.7040 9.7640 2.0610 C.3 1 LEU -0.0425
89
+ 77 CD1 16.2190 9.6140 2.2190 C.3 1 LEU -0.0625
90
+ 78 CD2 14.4060 10.8710 1.0480 C.3 1 LEU -0.0625
91
+ 79 H36 12.7158 9.1463 3.6249 H 1 LEU 0.1883
92
+ 80 H37 12.2791 9.3702 0.8738 H 1 LEU 0.0800
93
+ 81 H38 14.4786 8.2354 0.5500 H 1 LEU 0.0315
94
+ 82 H39 14.4111 7.6303 2.2400 H 1 LEU 0.0315
95
+ 83 H40 14.2577 10.0251 3.0319 H 1 LEU 0.0298
96
+ 84 H41 16.6461 10.5628 2.5758 H 1 LEU 0.0232
97
+ 85 H42 16.6649 9.3534 1.2478 H 1 LEU 0.0232
98
+ 86 H43 16.4347 8.8181 2.9470 H 1 LEU 0.0232
99
+ 87 H44 13.3174 10.9799 0.9335 H 1 LEU 0.0232
100
+ 88 H45 14.8524 10.6096 0.0773 H 1 LEU 0.0232
101
+ 89 H46 14.8338 11.8195 1.4049 H 1 LEU 0.0232
102
+ 90 N 11.2000 7.3010 -0.0100 N.am 1 PRO -0.2498
103
+ 91 CA 10.5570 6.1100 -0.6050 C.3 1 PRO 0.1338
104
+ 92 C 11.5480 5.3150 -1.4670 C.2 1 PRO 0.2041
105
+ 93 O 11.2380 4.9290 -2.5770 O.2 1 PRO -0.3944
106
+ 94 CB 9.4420 6.6780 -1.4900 C.3 1 PRO -0.0104
107
+ 95 CG 9.6500 8.2140 -1.5750 C.3 1 PRO -0.0281
108
+ 96 CD 10.8110 8.5780 -0.6340 C.3 1 PRO 0.0369
109
+ 97 H47 10.1442 5.4588 0.1795 H 1 PRO 0.0802
110
+ 98 H48 8.4604 6.4561 -1.0460 H 1 PRO 0.0313
111
+ 99 H49 9.4983 6.2353 -2.4954 H 1 PRO 0.0313
112
+ 100 H50 8.7339 8.7348 -1.2595 H 1 PRO 0.0287
113
+ 101 H51 9.8989 8.5024 -2.6069 H 1 PRO 0.0287
114
+ 102 H52 11.6513 9.0045 -1.2015 H 1 PRO 0.0524
115
+ 103 H53 10.4808 9.2981 0.1291 H 1 PRO 0.0524
116
+ 104 N 12.7230 5.0580 -0.9610 N.am 1 ARG -0.2637
117
+ 105 CA 13.7400 4.2890 -1.7400 C.3 1 ARG 0.1310
118
+ 106 C 13.6640 4.6630 -3.2230 C.2 1 ARG 0.2033
119
+ 107 O 13.4070 3.8290 -4.0690 O.2 1 ARG -0.3944
120
+ 108 CB 13.4770 2.7900 -1.5830 C.3 1 ARG -0.0092
121
+ 109 CG 14.6510 2.0030 -2.1720 C.3 1 ARG -0.0156
122
+ 110 CD 14.8980 0.7480 -1.3330 C.3 1 ARG 0.0627
123
+ 111 NE 15.4130 -0.3420 -2.2090 N.pl3 1 ARG -0.2723
124
+ 112 CZ 16.6480 -0.3140 -2.6350 C.cat 1 ARG 0.2882
125
+ 113 NH1 17.4380 0.6680 -2.2920 N.pl3 1 ARG -0.2849
126
+ 114 NH2 17.0940 -1.2700 -3.4030 N.pl3 1 ARG -0.2849
127
+ 115 H54 12.9455 5.3796 -0.0407 H 1 ARG 0.1883
128
+ 116 H55 14.7437 4.5257 -1.3573 H 1 ARG 0.0800
129
+ 117 H56 12.5521 2.5220 -2.1147 H 1 ARG 0.0313
130
+ 118 H57 13.3703 2.5459 -0.5157 H 1 ARG 0.0313
131
+ 119 H58 15.5536 2.6316 -2.1652 H 1 ARG 0.0301
132
+ 120 H59 14.4147 1.7117 -3.2061 H 1 ARG 0.0301
133
+ 121 H60 13.9551 0.4280 -0.8656 H 1 ARG 0.0689
134
+ 122 H61 15.6384 0.9700 -0.5504 H 1 ARG 0.0689
135
+ 123 H62 14.7939 -1.1195 -2.4794 H 1 ARG 0.2642
136
+ 124 H63 18.4111 0.6879 -2.6290 H 1 ARG 0.2615
137
+ 125 H64 17.0879 1.4225 -1.6845 H 1 ARG 0.2615
138
+ 126 H65 16.4722 -2.0450 -3.6743 H 1 ARG 0.2615
139
+ 127 H66 18.0678 -1.2496 -3.7379 H 1 ARG 0.2615
140
+ 128 N 13.8810 5.9080 -3.5470 N.am 1 ARG -0.2695
141
+ 129 CA 13.8190 6.3240 -4.9750 C.3 1 ARG 0.0945
142
+ 130 C 12.4610 5.9330 -5.5620 C.2 1 ARG 0.0601
143
+ 131 O 12.4390 5.0990 -6.4530 O.co2 1 ARG -0.5666
144
+ 132 CB 14.9330 5.6260 -5.7580 C.3 1 ARG -0.0148
145
+ 133 CG 16.2920 6.0470 -5.1950 C.3 1 ARG -0.0162
146
+ 134 CD 16.5140 7.5360 -5.4670 C.3 1 ARG 0.0627
147
+ 135 NE 17.9590 7.8620 -5.2970 N.pl3 1 ARG -0.2723
148
+ 136 CZ 18.3530 9.1070 -5.2890 C.cat 1 ARG 0.2882
149
+ 137 NH1 17.4840 10.0720 -5.4270 N.pl3 1 ARG -0.2849
150
+ 138 NH2 19.6190 9.3880 -5.1420 N.pl3 1 ARG -0.2849
151
+ 139 OXT 11.4650 6.4760 -5.1130 O.co2 1 ARG -0.5666
152
+ 140 H67 14.0886 6.5815 -2.8375 H 1 ARG 0.1875
153
+ 141 H68 13.9488 7.4140 -5.0454 H 1 ARG 0.0726
154
+ 142 H69 14.8708 5.9120 -6.8183 H 1 ARG 0.0307
155
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+ $$$$
1prl/1prl_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,455 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N THR A 1 12.618 29.132 -8.209 1.00 0.00 N
3
+ ATOM 2 CA THR A 1 13.215 28.949 -6.891 1.00 0.00 C
4
+ ATOM 3 C THR A 1 12.249 28.229 -5.954 1.00 0.00 C
5
+ ATOM 4 CB THR A 1 13.626 30.298 -6.272 1.00 0.00 C
6
+ ATOM 5 O THR A 1 11.047 28.501 -5.964 1.00 0.00 O
7
+ ATOM 6 CG2 THR A 1 14.377 30.094 -4.960 1.00 0.00 C
8
+ ATOM 7 OG1 THR A 1 14.471 31.001 -7.190 1.00 0.00 O
9
+ ATOM 8 N PHE A 2 12.709 27.150 -5.152 1.00 0.00 N
10
+ ATOM 9 CA PHE A 2 11.984 26.345 -4.175 1.00 0.00 C
11
+ ATOM 10 C PHE A 2 12.558 26.545 -2.777 1.00 0.00 C
12
+ ATOM 11 CB PHE A 2 12.034 24.862 -4.556 1.00 0.00 C
13
+ ATOM 12 O PHE A 2 13.715 26.939 -2.626 1.00 0.00 O
14
+ ATOM 13 CG PHE A 2 11.179 24.511 -5.744 1.00 0.00 C
15
+ ATOM 14 CD1 PHE A 2 9.980 23.828 -5.577 1.00 0.00 C
16
+ ATOM 15 CD2 PHE A 2 11.574 24.865 -7.028 1.00 0.00 C
17
+ ATOM 16 CE1 PHE A 2 9.187 23.503 -6.675 1.00 0.00 C
18
+ ATOM 17 CE2 PHE A 2 10.786 24.542 -8.129 1.00 0.00 C
19
+ ATOM 18 CZ PHE A 2 9.593 23.860 -7.950 1.00 0.00 C
20
+ ATOM 19 N VAL A 3 11.743 26.489 -1.668 1.00 0.00 N
21
+ ATOM 20 CA VAL A 3 12.204 26.584 -0.287 1.00 0.00 C
22
+ ATOM 21 C VAL A 3 12.035 25.235 0.408 1.00 0.00 C
23
+ ATOM 22 CB VAL A 3 11.445 27.683 0.491 1.00 0.00 C
24
+ ATOM 23 O VAL A 3 11.015 24.563 0.234 1.00 0.00 O
25
+ ATOM 24 CG1 VAL A 3 9.966 27.324 0.627 1.00 0.00 C
26
+ ATOM 25 CG2 VAL A 3 12.076 27.896 1.865 1.00 0.00 C
27
+ ATOM 26 N ALA A 4 13.081 24.813 1.186 1.00 0.00 N
28
+ ATOM 27 CA ALA A 4 13.049 23.581 1.970 1.00 0.00 C
29
+ ATOM 28 C ALA A 4 12.040 23.684 3.111 1.00 0.00 C
30
+ ATOM 29 CB ALA A 4 14.437 23.264 2.519 1.00 0.00 C
31
+ ATOM 30 O ALA A 4 12.067 24.642 3.888 1.00 0.00 O
32
+ ATOM 31 N LEU A 5 11.111 22.770 3.189 1.00 0.00 N
33
+ ATOM 32 CA LEU A 5 10.112 22.731 4.251 1.00 0.00 C
34
+ ATOM 33 C LEU A 5 10.647 21.989 5.472 1.00 0.00 C
35
+ ATOM 34 CB LEU A 5 8.828 22.062 3.755 1.00 0.00 C
36
+ ATOM 35 O LEU A 5 10.174 22.204 6.590 1.00 0.00 O
37
+ ATOM 36 CG LEU A 5 8.105 22.755 2.599 1.00 0.00 C
38
+ ATOM 37 CD1 LEU A 5 6.929 21.909 2.125 1.00 0.00 C
39
+ ATOM 38 CD2 LEU A 5 7.636 24.145 3.019 1.00 0.00 C
40
+ ATOM 39 N TYR A 6 11.601 21.010 5.373 1.00 0.00 N
41
+ ATOM 40 CA TYR A 6 12.197 20.163 6.400 1.00 0.00 C
42
+ ATOM 41 C TYR A 6 13.707 20.065 6.217 1.00 0.00 C
43
+ ATOM 42 CB TYR A 6 11.576 18.763 6.368 1.00 0.00 C
44
+ ATOM 43 O TYR A 6 14.223 20.296 5.120 1.00 0.00 O
45
+ ATOM 44 CG TYR A 6 10.068 18.766 6.435 1.00 0.00 C
46
+ ATOM 45 CD1 TYR A 6 9.405 18.989 7.640 1.00 0.00 C
47
+ ATOM 46 CD2 TYR A 6 9.303 18.547 5.295 1.00 0.00 C
48
+ ATOM 47 CE1 TYR A 6 8.016 18.991 7.707 1.00 0.00 C
49
+ ATOM 48 CE2 TYR A 6 7.913 18.548 5.350 1.00 0.00 C
50
+ ATOM 49 OH TYR A 6 5.904 18.771 6.618 1.00 0.00 O
51
+ ATOM 50 CZ TYR A 6 7.279 18.770 6.558 1.00 0.00 C
52
+ ATOM 51 N ASP A 7 14.381 19.714 7.255 1.00 0.00 N
53
+ ATOM 52 CA ASP A 7 15.760 19.249 7.145 1.00 0.00 C
54
+ ATOM 53 C ASP A 7 15.837 17.932 6.376 1.00 0.00 C
55
+ ATOM 54 CB ASP A 7 16.383 19.085 8.534 1.00 0.00 C
56
+ ATOM 55 O ASP A 7 14.926 17.105 6.458 1.00 0.00 O
57
+ ATOM 56 CG ASP A 7 16.572 20.404 9.259 1.00 0.00 C
58
+ ATOM 57 OD1 ASP A 7 16.381 21.474 8.641 1.00 0.00 O
59
+ ATOM 58 OD2 ASP A 7 16.916 20.376 10.461 1.00 0.00 O
60
+ ATOM 59 N TYR A 8 16.915 17.780 5.653 1.00 0.00 N
61
+ ATOM 60 CA TYR A 8 17.172 16.500 5.004 1.00 0.00 C
62
+ ATOM 61 C TYR A 8 18.651 16.138 5.080 1.00 0.00 C
63
+ ATOM 62 CB TYR A 8 16.718 16.537 3.541 1.00 0.00 C
64
+ ATOM 63 O TYR A 8 19.508 16.911 4.647 1.00 0.00 O
65
+ ATOM 64 CG TYR A 8 16.849 15.212 2.832 1.00 0.00 C
66
+ ATOM 65 CD1 TYR A 8 15.950 14.176 3.076 1.00 0.00 C
67
+ ATOM 66 CD2 TYR A 8 17.873 14.991 1.915 1.00 0.00 C
68
+ ATOM 67 CE1 TYR A 8 16.068 12.952 2.425 1.00 0.00 C
69
+ ATOM 68 CE2 TYR A 8 18.000 13.772 1.259 1.00 0.00 C
70
+ ATOM 69 OH TYR A 8 17.216 11.551 0.873 1.00 0.00 O
71
+ ATOM 70 CZ TYR A 8 17.095 12.761 1.520 1.00 0.00 C
72
+ ATOM 71 N GLU A 9 18.992 15.093 5.571 1.00 0.00 N
73
+ ATOM 72 CA GLU A 9 20.351 14.558 5.611 1.00 0.00 C
74
+ ATOM 73 C GLU A 9 20.571 13.526 4.511 1.00 0.00 C
75
+ ATOM 74 CB GLU A 9 20.644 13.939 6.980 1.00 0.00 C
76
+ ATOM 75 O GLU A 9 19.805 12.567 4.389 1.00 0.00 O
77
+ ATOM 76 CG GLU A 9 22.108 13.578 7.192 1.00 0.00 C
78
+ ATOM 77 CD GLU A 9 22.418 13.136 8.613 1.00 0.00 C
79
+ ATOM 78 OE1 GLU A 9 21.507 13.167 9.470 1.00 0.00 O
80
+ ATOM 79 OE2 GLU A 9 23.582 12.757 8.871 1.00 0.00 O
81
+ ATOM 80 N SER A 10 21.564 13.739 3.695 1.00 0.00 N
82
+ ATOM 81 CA SER A 10 21.882 12.854 2.580 1.00 0.00 C
83
+ ATOM 82 C SER A 10 22.127 11.428 3.059 1.00 0.00 C
84
+ ATOM 83 CB SER A 10 23.108 13.365 1.823 1.00 0.00 C
85
+ ATOM 84 O SER A 10 22.745 11.216 4.105 1.00 0.00 O
86
+ ATOM 85 OG SER A 10 24.296 13.092 2.546 1.00 0.00 O
87
+ ATOM 86 N ARG A 11 21.565 10.408 2.311 1.00 0.00 N
88
+ ATOM 87 CA ARG A 11 21.718 8.990 2.619 1.00 0.00 C
89
+ ATOM 88 C ARG A 11 22.624 8.304 1.603 1.00 0.00 C
90
+ ATOM 89 CB ARG A 11 20.354 8.296 2.656 1.00 0.00 C
91
+ ATOM 90 O ARG A 11 23.020 7.151 1.794 1.00 0.00 O
92
+ ATOM 91 CG ARG A 11 19.425 8.821 3.739 1.00 0.00 C
93
+ ATOM 92 CD ARG A 11 18.071 8.126 3.707 1.00 0.00 C
94
+ ATOM 93 NE ARG A 11 17.141 8.714 4.666 1.00 0.00 N
95
+ ATOM 94 NH1 ARG A 11 15.342 7.410 4.034 1.00 0.00 N
96
+ ATOM 95 NH2 ARG A 11 15.107 8.961 5.706 1.00 0.00 N
97
+ ATOM 96 CZ ARG A 11 15.865 8.360 4.800 1.00 0.00 C
98
+ ATOM 97 N THR A 12 22.940 8.929 0.499 1.00 0.00 N
99
+ ATOM 98 CA THR A 12 23.838 8.445 -0.545 1.00 0.00 C
100
+ ATOM 99 C THR A 12 24.765 9.560 -1.020 1.00 0.00 C
101
+ ATOM 100 CB THR A 12 23.049 7.884 -1.742 1.00 0.00 C
102
+ ATOM 101 O THR A 12 24.549 10.732 -0.701 1.00 0.00 O
103
+ ATOM 102 CG2 THR A 12 21.905 6.989 -1.278 1.00 0.00 C
104
+ ATOM 103 OG1 THR A 12 22.512 8.971 -2.505 1.00 0.00 O
105
+ ATOM 104 N GLU A 13 25.803 9.212 -1.714 1.00 0.00 N
106
+ ATOM 105 CA GLU A 13 26.768 10.193 -2.201 1.00 0.00 C
107
+ ATOM 106 C GLU A 13 26.120 11.159 -3.189 1.00 0.00 C
108
+ ATOM 107 CB GLU A 13 27.962 9.495 -2.854 1.00 0.00 C
109
+ ATOM 108 O GLU A 13 26.630 12.258 -3.417 1.00 0.00 O
110
+ ATOM 109 CG GLU A 13 28.863 8.766 -1.869 1.00 0.00 C
111
+ ATOM 110 CD GLU A 13 30.118 8.195 -2.512 1.00 0.00 C
112
+ ATOM 111 OE1 GLU A 13 30.273 8.311 -3.748 1.00 0.00 O
113
+ ATOM 112 OE2 GLU A 13 30.951 7.625 -1.772 1.00 0.00 O
114
+ ATOM 113 N THR A 14 25.046 10.782 -3.845 1.00 0.00 N
115
+ ATOM 114 CA THR A 14 24.491 11.637 -4.890 1.00 0.00 C
116
+ ATOM 115 C THR A 14 23.405 12.546 -4.323 1.00 0.00 C
117
+ ATOM 116 CB THR A 14 23.914 10.802 -6.047 1.00 0.00 C
118
+ ATOM 117 O THR A 14 22.899 13.428 -5.021 1.00 0.00 O
119
+ ATOM 118 CG2 THR A 14 25.000 9.964 -6.715 1.00 0.00 C
120
+ ATOM 119 OG1 THR A 14 22.898 9.930 -5.539 1.00 0.00 O
121
+ ATOM 120 N ASP A 15 22.965 12.383 -3.002 1.00 0.00 N
122
+ ATOM 121 CA ASP A 15 21.921 13.206 -2.398 1.00 0.00 C
123
+ ATOM 122 C ASP A 15 22.469 14.569 -1.981 1.00 0.00 C
124
+ ATOM 123 CB ASP A 15 21.308 12.494 -1.192 1.00 0.00 C
125
+ ATOM 124 O ASP A 15 23.660 14.705 -1.696 1.00 0.00 O
126
+ ATOM 125 CG ASP A 15 20.528 11.247 -1.572 1.00 0.00 C
127
+ ATOM 126 OD1 ASP A 15 20.310 11.008 -2.779 1.00 0.00 O
128
+ ATOM 127 OD2 ASP A 15 20.124 10.499 -0.655 1.00 0.00 O
129
+ ATOM 128 N LEU A 16 21.713 15.509 -1.923 1.00 0.00 N
130
+ ATOM 129 CA LEU A 16 21.987 16.832 -1.376 1.00 0.00 C
131
+ ATOM 130 C LEU A 16 21.366 16.988 0.009 1.00 0.00 C
132
+ ATOM 131 CB LEU A 16 21.454 17.920 -2.311 1.00 0.00 C
133
+ ATOM 132 O LEU A 16 20.165 16.774 0.182 1.00 0.00 O
134
+ ATOM 133 CG LEU A 16 21.738 19.366 -1.901 1.00 0.00 C
135
+ ATOM 134 CD1 LEU A 16 23.230 19.665 -2.010 1.00 0.00 C
136
+ ATOM 135 CD2 LEU A 16 20.931 20.334 -2.759 1.00 0.00 C
137
+ ATOM 136 N SER A 17 22.163 17.268 1.004 1.00 0.00 N
138
+ ATOM 137 CA SER A 17 21.657 17.650 2.319 1.00 0.00 C
139
+ ATOM 138 C SER A 17 21.215 19.109 2.339 1.00 0.00 C
140
+ ATOM 139 CB SER A 17 22.722 17.417 3.392 1.00 0.00 C
141
+ ATOM 140 O SER A 17 21.825 19.957 1.683 1.00 0.00 O
142
+ ATOM 141 OG SER A 17 23.010 16.035 3.523 1.00 0.00 O
143
+ ATOM 142 N PHE A 18 20.244 19.457 2.999 1.00 0.00 N
144
+ ATOM 143 CA PHE A 18 19.807 20.840 3.147 1.00 0.00 C
145
+ ATOM 144 C PHE A 18 19.017 21.023 4.437 1.00 0.00 C
146
+ ATOM 145 CB PHE A 18 18.956 21.266 1.946 1.00 0.00 C
147
+ ATOM 146 O PHE A 18 18.516 20.052 5.008 1.00 0.00 O
148
+ ATOM 147 CG PHE A 18 17.818 20.328 1.644 1.00 0.00 C
149
+ ATOM 148 CD1 PHE A 18 17.955 19.336 0.681 1.00 0.00 C
150
+ ATOM 149 CD2 PHE A 18 16.612 20.440 2.323 1.00 0.00 C
151
+ ATOM 150 CE1 PHE A 18 16.903 18.466 0.399 1.00 0.00 C
152
+ ATOM 151 CE2 PHE A 18 15.557 19.575 2.047 1.00 0.00 C
153
+ ATOM 152 CZ PHE A 18 15.705 18.589 1.084 1.00 0.00 C
154
+ ATOM 153 N LYS A 19 18.990 22.262 4.940 1.00 0.00 N
155
+ ATOM 154 CA LYS A 19 18.283 22.659 6.155 1.00 0.00 C
156
+ ATOM 155 C LYS A 19 16.956 23.333 5.821 1.00 0.00 C
157
+ ATOM 156 CB LYS A 19 19.149 23.594 6.998 1.00 0.00 C
158
+ ATOM 157 O LYS A 19 16.811 23.939 4.758 1.00 0.00 O
159
+ ATOM 158 CG LYS A 19 20.433 22.957 7.510 1.00 0.00 C
160
+ ATOM 159 CD LYS A 19 20.147 21.886 8.554 1.00 0.00 C
161
+ ATOM 160 CE LYS A 19 21.423 21.420 9.243 1.00 0.00 C
162
+ ATOM 161 NZ LYS A 19 21.158 20.314 10.211 1.00 0.00 N
163
+ ATOM 162 N LYS A 20 15.930 23.245 6.712 1.00 0.00 N
164
+ ATOM 163 CA LYS A 20 14.657 23.944 6.565 1.00 0.00 C
165
+ ATOM 164 C LYS A 20 14.876 25.422 6.252 1.00 0.00 C
166
+ ATOM 165 CB LYS A 20 13.815 23.796 7.833 1.00 0.00 C
167
+ ATOM 166 O LYS A 20 15.664 26.094 6.922 1.00 0.00 O
168
+ ATOM 167 CG LYS A 20 12.452 24.471 7.753 1.00 0.00 C
169
+ ATOM 168 CD LYS A 20 11.683 24.333 9.060 1.00 0.00 C
170
+ ATOM 169 CE LYS A 20 10.345 25.058 9.002 1.00 0.00 C
171
+ ATOM 170 NZ LYS A 20 9.582 24.915 10.278 1.00 0.00 N
172
+ ATOM 171 N GLY A 21 14.238 25.989 5.243 1.00 0.00 N
173
+ ATOM 172 CA GLY A 21 14.309 27.397 4.885 1.00 0.00 C
174
+ ATOM 173 C GLY A 21 15.298 27.680 3.770 1.00 0.00 C
175
+ ATOM 174 O GLY A 21 15.309 28.777 3.207 1.00 0.00 O
176
+ ATOM 175 N GLU A 22 16.217 26.791 3.606 1.00 0.00 N
177
+ ATOM 176 CA GLU A 22 17.185 27.007 2.534 1.00 0.00 C
178
+ ATOM 177 C GLU A 22 16.492 27.113 1.179 1.00 0.00 C
179
+ ATOM 178 CB GLU A 22 18.220 25.879 2.509 1.00 0.00 C
180
+ ATOM 179 O GLU A 22 15.479 26.453 0.941 1.00 0.00 O
181
+ ATOM 180 CG GLU A 22 19.237 25.953 3.638 1.00 0.00 C
182
+ ATOM 181 CD GLU A 22 20.478 25.112 3.385 1.00 0.00 C
183
+ ATOM 182 OE1 GLU A 22 20.723 24.729 2.218 1.00 0.00 O
184
+ ATOM 183 OE2 GLU A 22 21.210 24.834 4.360 1.00 0.00 O
185
+ ATOM 184 N ARG A 23 16.906 27.947 0.192 1.00 0.00 N
186
+ ATOM 185 CA ARG A 23 16.381 28.115 -1.159 1.00 0.00 C
187
+ ATOM 186 C ARG A 23 17.105 27.206 -2.146 1.00 0.00 C
188
+ ATOM 187 CB ARG A 23 16.500 29.574 -1.604 1.00 0.00 C
189
+ ATOM 188 O ARG A 23 18.335 27.129 -2.139 1.00 0.00 O
190
+ ATOM 189 CG ARG A 23 15.666 30.541 -0.780 1.00 0.00 C
191
+ ATOM 190 CD ARG A 23 15.834 31.978 -1.253 1.00 0.00 C
192
+ ATOM 191 NE ARG A 23 15.240 32.184 -2.571 1.00 0.00 N
193
+ ATOM 192 NH1 ARG A 23 15.952 34.372 -2.778 1.00 0.00 N
194
+ ATOM 193 NH2 ARG A 23 14.732 33.396 -4.455 1.00 0.00 N
195
+ ATOM 194 CZ ARG A 23 15.310 33.317 -3.265 1.00 0.00 C
196
+ ATOM 195 N LEU A 24 16.408 26.522 -3.009 1.00 0.00 N
197
+ ATOM 196 CA LEU A 24 16.913 25.507 -3.928 1.00 0.00 C
198
+ ATOM 197 C LEU A 24 16.460 25.793 -5.356 1.00 0.00 C
199
+ ATOM 198 CB LEU A 24 16.443 24.115 -3.500 1.00 0.00 C
200
+ ATOM 199 O LEU A 24 15.318 26.203 -5.579 1.00 0.00 O
201
+ ATOM 200 CG LEU A 24 16.824 23.676 -2.085 1.00 0.00 C
202
+ ATOM 201 CD1 LEU A 24 15.997 22.465 -1.666 1.00 0.00 C
203
+ ATOM 202 CD2 LEU A 24 18.314 23.365 -2.004 1.00 0.00 C
204
+ ATOM 203 N GLN A 25 17.352 25.764 -6.312 1.00 0.00 N
205
+ ATOM 204 CA GLN A 25 17.005 25.748 -7.730 1.00 0.00 C
206
+ ATOM 205 C GLN A 25 16.927 24.319 -8.261 1.00 0.00 C
207
+ ATOM 206 CB GLN A 25 18.021 26.555 -8.540 1.00 0.00 C
208
+ ATOM 207 O GLN A 25 17.884 23.553 -8.141 1.00 0.00 O
209
+ ATOM 208 CG GLN A 25 17.667 26.684 -10.016 1.00 0.00 C
210
+ ATOM 209 CD GLN A 25 18.658 27.537 -10.785 1.00 0.00 C
211
+ ATOM 210 NE2 GLN A 25 18.340 27.830 -12.040 1.00 0.00 N
212
+ ATOM 211 OE1 GLN A 25 19.701 27.931 -10.253 1.00 0.00 O
213
+ ATOM 212 N ILE A 26 15.731 23.957 -8.831 1.00 0.00 N
214
+ ATOM 213 CA ILE A 26 15.498 22.639 -9.411 1.00 0.00 C
215
+ ATOM 214 C ILE A 26 16.076 22.587 -10.823 1.00 0.00 C
216
+ ATOM 215 CB ILE A 26 13.992 22.290 -9.435 1.00 0.00 C
217
+ ATOM 216 O ILE A 26 15.739 23.417 -11.671 1.00 0.00 O
218
+ ATOM 217 CG1 ILE A 26 13.389 22.433 -8.033 1.00 0.00 C
219
+ ATOM 218 CG2 ILE A 26 13.775 20.877 -9.984 1.00 0.00 C
220
+ ATOM 219 CD1 ILE A 26 14.047 21.549 -6.983 1.00 0.00 C
221
+ ATOM 220 N VAL A 27 17.094 21.822 -11.057 1.00 0.00 N
222
+ ATOM 221 CA VAL A 27 17.798 21.677 -12.327 1.00 0.00 C
223
+ ATOM 222 C VAL A 27 17.068 20.665 -13.208 1.00 0.00 C
224
+ ATOM 223 CB VAL A 27 19.265 21.239 -12.117 1.00 0.00 C
225
+ ATOM 224 O VAL A 27 16.971 20.848 -14.424 1.00 0.00 O
226
+ ATOM 225 CG1 VAL A 27 19.964 21.031 -13.458 1.00 0.00 C
227
+ ATOM 226 CG2 VAL A 27 20.013 22.271 -11.275 1.00 0.00 C
228
+ ATOM 227 N ASN A 28 16.564 19.487 -12.730 1.00 0.00 N
229
+ ATOM 228 CA ASN A 28 15.882 18.419 -13.452 1.00 0.00 C
230
+ ATOM 229 C ASN A 28 14.838 17.729 -12.578 1.00 0.00 C
231
+ ATOM 230 CB ASN A 28 16.892 17.396 -13.978 1.00 0.00 C
232
+ ATOM 231 O ASN A 28 15.154 17.249 -11.488 1.00 0.00 O
233
+ ATOM 232 CG ASN A 28 16.262 16.378 -14.908 1.00 0.00 C
234
+ ATOM 233 ND2 ASN A 28 17.076 15.468 -15.429 1.00 0.00 N
235
+ ATOM 234 OD1 ASN A 28 15.055 16.410 -15.158 1.00 0.00 O
236
+ ATOM 235 N ASN A 29 13.507 17.823 -12.995 1.00 0.00 N
237
+ ATOM 236 CA ASN A 29 12.382 17.164 -12.339 1.00 0.00 C
238
+ ATOM 237 C ASN A 29 11.716 16.145 -13.258 1.00 0.00 C
239
+ ATOM 238 CB ASN A 29 11.359 18.197 -11.861 1.00 0.00 C
240
+ ATOM 239 O ASN A 29 10.536 15.830 -13.092 1.00 0.00 O
241
+ ATOM 240 CG ASN A 29 10.744 18.982 -13.004 1.00 0.00 C
242
+ ATOM 241 ND2 ASN A 29 9.860 19.915 -12.674 1.00 0.00 N
243
+ ATOM 242 OD1 ASN A 29 11.062 18.750 -14.173 1.00 0.00 O
244
+ ATOM 243 N THR A 30 12.325 15.725 -14.503 1.00 0.00 N
245
+ ATOM 244 CA THR A 30 11.588 15.085 -15.587 1.00 0.00 C
246
+ ATOM 245 C THR A 30 11.213 13.653 -15.215 1.00 0.00 C
247
+ ATOM 246 CB THR A 30 12.405 15.082 -16.893 1.00 0.00 C
248
+ ATOM 247 O THR A 30 10.187 13.138 -15.663 1.00 0.00 O
249
+ ATOM 248 CG2 THR A 30 12.391 16.456 -17.554 1.00 0.00 C
250
+ ATOM 249 OG1 THR A 30 13.759 14.719 -16.601 1.00 0.00 O
251
+ ATOM 250 N GLU A 31 11.652 13.033 -14.098 1.00 0.00 N
252
+ ATOM 251 CA GLU A 31 11.243 11.666 -13.790 1.00 0.00 C
253
+ ATOM 252 C GLU A 31 11.577 11.302 -12.346 1.00 0.00 C
254
+ ATOM 253 CB GLU A 31 11.909 10.676 -14.749 1.00 0.00 C
255
+ ATOM 254 O GLU A 31 12.680 11.580 -11.870 1.00 0.00 O
256
+ ATOM 255 CG GLU A 31 11.268 10.632 -16.129 1.00 0.00 C
257
+ ATOM 256 CD GLU A 31 11.802 9.507 -17.002 1.00 0.00 C
258
+ ATOM 257 OE1 GLU A 31 12.729 8.787 -16.566 1.00 0.00 O
259
+ ATOM 258 OE2 GLU A 31 11.289 9.345 -18.132 1.00 0.00 O
260
+ ATOM 259 N GLY A 32 10.460 11.040 -11.590 1.00 0.00 N
261
+ ATOM 260 CA GLY A 32 10.460 10.370 -10.300 1.00 0.00 C
262
+ ATOM 261 C GLY A 32 10.367 11.330 -9.129 1.00 0.00 C
263
+ ATOM 262 O GLY A 32 9.931 12.472 -9.290 1.00 0.00 O
264
+ ATOM 263 N ASP A 33 10.372 10.793 -7.869 1.00 0.00 N
265
+ ATOM 264 CA ASP A 33 10.173 11.501 -6.608 1.00 0.00 C
266
+ ATOM 265 C ASP A 33 11.444 12.233 -6.182 1.00 0.00 C
267
+ ATOM 266 CB ASP A 33 9.732 10.529 -5.511 1.00 0.00 C
268
+ ATOM 267 O ASP A 33 11.445 12.955 -5.183 1.00 0.00 O
269
+ ATOM 268 CG ASP A 33 8.336 9.977 -5.733 1.00 0.00 C
270
+ ATOM 269 OD1 ASP A 33 7.511 10.650 -6.388 1.00 0.00 O
271
+ ATOM 270 OD2 ASP A 33 8.057 8.859 -5.247 1.00 0.00 O
272
+ ATOM 271 N TRP A 34 12.524 12.066 -6.950 1.00 0.00 N
273
+ ATOM 272 CA TRP A 34 13.793 12.699 -6.606 1.00 0.00 C
274
+ ATOM 273 C TRP A 34 14.218 13.689 -7.686 1.00 0.00 C
275
+ ATOM 274 CB TRP A 34 14.884 11.643 -6.406 1.00 0.00 C
276
+ ATOM 275 O TRP A 34 14.294 13.337 -8.865 1.00 0.00 O
277
+ ATOM 276 CG TRP A 34 14.634 10.720 -5.252 1.00 0.00 C
278
+ ATOM 277 CD1 TRP A 34 13.822 9.620 -5.237 1.00 0.00 C
279
+ ATOM 278 CD2 TRP A 34 15.198 10.820 -3.941 1.00 0.00 C
280
+ ATOM 279 CE2 TRP A 34 14.683 9.746 -3.181 1.00 0.00 C
281
+ ATOM 280 CE3 TRP A 34 16.090 11.714 -3.334 1.00 0.00 C
282
+ ATOM 281 NE1 TRP A 34 13.848 9.029 -3.995 1.00 0.00 N
283
+ ATOM 282 CH2 TRP A 34 15.907 10.431 -1.275 1.00 0.00 C
284
+ ATOM 283 CZ2 TRP A 34 15.033 9.542 -1.844 1.00 0.00 C
285
+ ATOM 284 CZ3 TRP A 34 16.436 11.509 -2.003 1.00 0.00 C
286
+ ATOM 285 N TRP A 35 14.435 14.770 -7.306 1.00 0.00 N
287
+ ATOM 286 CA TRP A 35 14.749 15.859 -8.226 1.00 0.00 C
288
+ ATOM 287 C TRP A 35 16.201 16.300 -8.071 1.00 0.00 C
289
+ ATOM 288 CB TRP A 35 13.814 17.048 -7.990 1.00 0.00 C
290
+ ATOM 289 O TRP A 35 16.755 16.259 -6.969 1.00 0.00 O
291
+ ATOM 290 CG TRP A 35 12.396 16.801 -8.410 1.00 0.00 C
292
+ ATOM 291 CD1 TRP A 35 11.901 15.682 -9.023 1.00 0.00 C
293
+ ATOM 292 CD2 TRP A 35 11.290 17.694 -8.254 1.00 0.00 C
294
+ ATOM 293 CE2 TRP A 35 10.154 17.051 -8.793 1.00 0.00 C
295
+ ATOM 294 CE3 TRP A 35 11.148 18.977 -7.708 1.00 0.00 C
296
+ ATOM 295 NE1 TRP A 35 10.553 15.827 -9.255 1.00 0.00 N
297
+ ATOM 296 CH2 TRP A 35 8.781 18.905 -8.262 1.00 0.00 C
298
+ ATOM 297 CZ2 TRP A 35 8.891 17.650 -8.802 1.00 0.00 C
299
+ ATOM 298 CZ3 TRP A 35 9.892 19.571 -7.718 1.00 0.00 C
300
+ ATOM 299 N LEU A 36 16.833 16.592 -9.154 1.00 0.00 N
301
+ ATOM 300 CA LEU A 36 18.149 17.219 -9.089 1.00 0.00 C
302
+ ATOM 301 C LEU A 36 18.027 18.705 -8.767 1.00 0.00 C
303
+ ATOM 302 CB LEU A 36 18.899 17.031 -10.410 1.00 0.00 C
304
+ ATOM 303 O LEU A 36 17.300 19.434 -9.445 1.00 0.00 O
305
+ ATOM 304 CG LEU A 36 20.364 17.468 -10.426 1.00 0.00 C
306
+ ATOM 305 CD1 LEU A 36 21.179 16.628 -9.448 1.00 0.00 C
307
+ ATOM 306 CD2 LEU A 36 20.939 17.364 -11.835 1.00 0.00 C
308
+ ATOM 307 N ALA A 37 18.790 19.111 -7.762 1.00 0.00 N
309
+ ATOM 308 CA ALA A 37 18.650 20.477 -7.266 1.00 0.00 C
310
+ ATOM 309 C ALA A 37 20.014 21.106 -6.999 1.00 0.00 C
311
+ ATOM 310 CB ALA A 37 17.800 20.497 -5.998 1.00 0.00 C
312
+ ATOM 311 O ALA A 37 21.004 20.397 -6.799 1.00 0.00 O
313
+ ATOM 312 N HIS A 38 20.085 22.397 -7.069 1.00 0.00 N
314
+ ATOM 313 CA HIS A 38 21.224 23.228 -6.698 1.00 0.00 C
315
+ ATOM 314 C HIS A 38 20.871 24.167 -5.549 1.00 0.00 C
316
+ ATOM 315 CB HIS A 38 21.716 24.034 -7.902 1.00 0.00 C
317
+ ATOM 316 O HIS A 38 19.934 24.960 -5.657 1.00 0.00 O
318
+ ATOM 317 CG HIS A 38 22.928 24.862 -7.615 1.00 0.00 C
319
+ ATOM 318 CD2 HIS A 38 23.062 26.184 -7.363 1.00 0.00 C
320
+ ATOM 319 ND1 HIS A 38 24.198 24.329 -7.570 1.00 0.00 N
321
+ ATOM 320 CE1 HIS A 38 25.064 25.292 -7.300 1.00 0.00 C
322
+ ATOM 321 NE2 HIS A 38 24.400 26.428 -7.170 1.00 0.00 N
323
+ ATOM 322 N SER A 39 21.625 24.050 -4.328 1.00 0.00 N
324
+ ATOM 323 CA SER A 39 21.419 24.930 -3.182 1.00 0.00 C
325
+ ATOM 324 C SER A 39 22.018 26.310 -3.430 1.00 0.00 C
326
+ ATOM 325 CB SER A 39 22.030 24.319 -1.920 1.00 0.00 C
327
+ ATOM 326 O SER A 39 23.215 26.435 -3.696 1.00 0.00 O
328
+ ATOM 327 OG SER A 39 22.059 25.266 -0.867 1.00 0.00 O
329
+ ATOM 328 N LEU A 40 21.223 27.271 -3.361 1.00 0.00 N
330
+ ATOM 329 CA LEU A 40 21.714 28.640 -3.464 1.00 0.00 C
331
+ ATOM 330 C LEU A 40 22.439 29.055 -2.187 1.00 0.00 C
332
+ ATOM 331 CB LEU A 40 20.561 29.605 -3.747 1.00 0.00 C
333
+ ATOM 332 O LEU A 40 23.106 30.091 -2.157 1.00 0.00 O
334
+ ATOM 333 CG LEU A 40 19.764 29.354 -5.028 1.00 0.00 C
335
+ ATOM 334 CD1 LEU A 40 18.568 30.296 -5.102 1.00 0.00 C
336
+ ATOM 335 CD2 LEU A 40 20.657 29.519 -6.254 1.00 0.00 C
337
+ ATOM 336 N THR A 41 22.310 28.330 -1.046 1.00 0.00 N
338
+ ATOM 337 CA THR A 41 22.935 28.618 0.241 1.00 0.00 C
339
+ ATOM 338 C THR A 41 24.308 27.958 0.335 1.00 0.00 C
340
+ ATOM 339 CB THR A 41 22.053 28.141 1.410 1.00 0.00 C
341
+ ATOM 340 O THR A 41 25.298 28.616 0.664 1.00 0.00 O
342
+ ATOM 341 CG2 THR A 41 22.667 28.522 2.752 1.00 0.00 C
343
+ ATOM 342 OG1 THR A 41 20.758 28.746 1.300 1.00 0.00 O
344
+ ATOM 343 N THR A 42 24.394 26.680 -0.009 1.00 0.00 N
345
+ ATOM 344 CA THR A 42 25.638 25.951 0.205 1.00 0.00 C
346
+ ATOM 345 C THR A 42 26.414 25.810 -1.101 1.00 0.00 C
347
+ ATOM 346 CB THR A 42 25.372 24.555 0.801 1.00 0.00 C
348
+ ATOM 347 O THR A 42 27.606 25.492 -1.090 1.00 0.00 O
349
+ ATOM 348 CG2 THR A 42 24.539 24.650 2.074 1.00 0.00 C
350
+ ATOM 349 OG1 THR A 42 24.668 23.759 -0.160 1.00 0.00 O
351
+ ATOM 350 N GLY A 43 25.709 26.018 -2.315 1.00 0.00 N
352
+ ATOM 351 CA GLY A 43 26.364 25.863 -3.604 1.00 0.00 C
353
+ ATOM 352 C GLY A 43 26.461 24.419 -4.055 1.00 0.00 C
354
+ ATOM 353 O GLY A 43 27.083 24.122 -5.077 1.00 0.00 O
355
+ ATOM 354 N GLN A 44 26.010 23.495 -3.344 1.00 0.00 N
356
+ ATOM 355 CA GLN A 44 26.118 22.077 -3.673 1.00 0.00 C
357
+ ATOM 356 C GLN A 44 24.944 21.622 -4.536 1.00 0.00 C
358
+ ATOM 357 CB GLN A 44 26.191 21.235 -2.399 1.00 0.00 C
359
+ ATOM 358 O GLN A 44 23.835 22.146 -4.412 1.00 0.00 O
360
+ ATOM 359 CG GLN A 44 27.446 21.476 -1.572 1.00 0.00 C
361
+ ATOM 360 CD GLN A 44 27.516 20.595 -0.340 1.00 0.00 C
362
+ ATOM 361 NE2 GLN A 44 28.729 20.346 0.143 1.00 0.00 N
363
+ ATOM 362 OE1 GLN A 44 26.489 20.142 0.175 1.00 0.00 O
364
+ ATOM 363 N THR A 45 25.162 20.668 -5.374 1.00 0.00 N
365
+ ATOM 364 CA THR A 45 24.161 20.058 -6.242 1.00 0.00 C
366
+ ATOM 365 C THR A 45 23.959 18.588 -5.885 1.00 0.00 C
367
+ ATOM 366 CB THR A 45 24.558 20.180 -7.724 1.00 0.00 C
368
+ ATOM 367 O THR A 45 24.917 17.888 -5.551 1.00 0.00 O
369
+ ATOM 368 CG2 THR A 45 23.522 19.518 -8.627 1.00 0.00 C
370
+ ATOM 369 OG1 THR A 45 24.662 21.567 -8.072 1.00 0.00 O
371
+ ATOM 370 N GLY A 46 22.800 18.122 -5.919 1.00 0.00 N
372
+ ATOM 371 CA GLY A 46 22.464 16.723 -5.718 1.00 0.00 C
373
+ ATOM 372 C GLY A 46 20.971 16.455 -5.763 1.00 0.00 C
374
+ ATOM 373 O GLY A 46 20.177 17.371 -5.986 1.00 0.00 O
375
+ ATOM 374 N TYR A 47 20.498 15.292 -5.512 1.00 0.00 N
376
+ ATOM 375 CA TYR A 47 19.098 14.884 -5.559 1.00 0.00 C
377
+ ATOM 376 C TYR A 47 18.398 15.184 -4.240 1.00 0.00 C
378
+ ATOM 377 CB TYR A 47 18.983 13.392 -5.884 1.00 0.00 C
379
+ ATOM 378 O TYR A 47 18.988 15.030 -3.168 1.00 0.00 O
380
+ ATOM 379 CG TYR A 47 19.283 13.060 -7.326 1.00 0.00 C
381
+ ATOM 380 CD1 TYR A 47 18.313 13.217 -8.313 1.00 0.00 C
382
+ ATOM 381 CD2 TYR A 47 20.535 12.585 -7.703 1.00 0.00 C
383
+ ATOM 382 CE1 TYR A 47 18.584 12.911 -9.642 1.00 0.00 C
384
+ ATOM 383 CE2 TYR A 47 20.817 12.274 -9.029 1.00 0.00 C
385
+ ATOM 384 OH TYR A 47 20.110 12.135 -11.305 1.00 0.00 O
386
+ ATOM 385 CZ TYR A 47 19.837 12.441 -9.990 1.00 0.00 C
387
+ ATOM 386 N ILE A 48 17.203 15.459 -4.315 1.00 0.00 N
388
+ ATOM 387 CA ILE A 48 16.366 15.753 -3.156 1.00 0.00 C
389
+ ATOM 388 C ILE A 48 15.001 15.092 -3.324 1.00 0.00 C
390
+ ATOM 389 CB ILE A 48 16.203 17.276 -2.951 1.00 0.00 C
391
+ ATOM 390 O ILE A 48 14.534 14.892 -4.448 1.00 0.00 O
392
+ ATOM 391 CG1 ILE A 48 15.499 17.906 -4.159 1.00 0.00 C
393
+ ATOM 392 CG2 ILE A 48 17.561 17.937 -2.703 1.00 0.00 C
394
+ ATOM 393 CD1 ILE A 48 15.035 19.337 -3.928 1.00 0.00 C
395
+ ATOM 394 N PRO A 49 14.426 14.681 -2.221 1.00 0.00 N
396
+ ATOM 395 CA PRO A 49 13.027 14.263 -2.337 1.00 0.00 C
397
+ ATOM 396 C PRO A 49 12.098 15.414 -2.716 1.00 0.00 C
398
+ ATOM 397 CB PRO A 49 12.699 13.733 -0.940 1.00 0.00 C
399
+ ATOM 398 O PRO A 49 12.099 16.456 -2.056 1.00 0.00 O
400
+ ATOM 399 CG PRO A 49 13.802 14.242 -0.069 1.00 0.00 C
401
+ ATOM 400 CD PRO A 49 14.865 14.839 -0.946 1.00 0.00 C
402
+ ATOM 401 N SER A 50 11.281 15.291 -3.652 1.00 0.00 N
403
+ ATOM 402 CA SER A 50 10.493 16.377 -4.226 1.00 0.00 C
404
+ ATOM 403 C SER A 50 9.461 16.897 -3.232 1.00 0.00 C
405
+ ATOM 404 CB SER A 50 9.792 15.913 -5.504 1.00 0.00 C
406
+ ATOM 405 O SER A 50 9.044 18.054 -3.311 1.00 0.00 O
407
+ ATOM 406 OG SER A 50 8.896 14.849 -5.229 1.00 0.00 O
408
+ ATOM 407 N ASN A 51 9.001 16.007 -2.268 1.00 0.00 N
409
+ ATOM 408 CA ASN A 51 7.973 16.419 -1.319 1.00 0.00 C
410
+ ATOM 409 C ASN A 51 8.571 17.182 -0.141 1.00 0.00 C
411
+ ATOM 410 CB ASN A 51 7.185 15.205 -0.821 1.00 0.00 C
412
+ ATOM 411 O ASN A 51 7.863 17.523 0.809 1.00 0.00 O
413
+ ATOM 412 CG ASN A 51 8.060 14.194 -0.106 1.00 0.00 C
414
+ ATOM 413 ND2 ASN A 51 7.436 13.304 0.657 1.00 0.00 N
415
+ ATOM 414 OD1 ASN A 51 9.286 14.213 -0.238 1.00 0.00 O
416
+ ATOM 415 N TYR A 52 9.835 17.485 -0.086 1.00 0.00 N
417
+ ATOM 416 CA TYR A 52 10.477 18.237 0.986 1.00 0.00 C
418
+ ATOM 417 C TYR A 52 10.602 19.711 0.621 1.00 0.00 C
419
+ ATOM 418 CB TYR A 52 11.860 17.657 1.295 1.00 0.00 C
420
+ ATOM 419 O TYR A 52 11.175 20.499 1.377 1.00 0.00 O
421
+ ATOM 420 CG TYR A 52 11.831 16.505 2.270 1.00 0.00 C
422
+ ATOM 421 CD1 TYR A 52 10.638 15.853 2.573 1.00 0.00 C
423
+ ATOM 422 CD2 TYR A 52 12.995 16.066 2.892 1.00 0.00 C
424
+ ATOM 423 CE1 TYR A 52 10.605 14.792 3.472 1.00 0.00 C
425
+ ATOM 424 CE2 TYR A 52 12.975 15.006 3.793 1.00 0.00 C
426
+ ATOM 425 OH TYR A 52 11.751 13.326 4.966 1.00 0.00 O
427
+ ATOM 426 CZ TYR A 52 11.777 14.376 4.075 1.00 0.00 C
428
+ ATOM 427 N VAL A 53 10.082 20.085 -0.644 1.00 0.00 N
429
+ ATOM 428 CA VAL A 53 10.274 21.468 -1.070 1.00 0.00 C
430
+ ATOM 429 C VAL A 53 8.952 22.041 -1.577 1.00 0.00 C
431
+ ATOM 430 CB VAL A 53 11.358 21.578 -2.166 1.00 0.00 C
432
+ ATOM 431 O VAL A 53 8.050 21.292 -1.962 1.00 0.00 O
433
+ ATOM 432 CG1 VAL A 53 12.709 21.097 -1.640 1.00 0.00 C
434
+ ATOM 433 CG2 VAL A 53 10.948 20.781 -3.402 1.00 0.00 C
435
+ ATOM 434 N ALA A 54 8.817 23.291 -1.495 1.00 0.00 N
436
+ ATOM 435 CA ALA A 54 7.673 24.043 -2.006 1.00 0.00 C
437
+ ATOM 436 C ALA A 54 8.129 25.260 -2.807 1.00 0.00 C
438
+ ATOM 437 CB ALA A 54 6.765 24.476 -0.858 1.00 0.00 C
439
+ ATOM 438 O ALA A 54 9.219 25.789 -2.576 1.00 0.00 O
440
+ ATOM 439 N PRO A 55 7.370 25.696 -3.922 1.00 0.00 N
441
+ ATOM 440 CA PRO A 55 7.706 26.931 -4.634 1.00 0.00 C
442
+ ATOM 441 C PRO A 55 7.707 28.156 -3.723 1.00 0.00 C
443
+ ATOM 442 CB PRO A 55 6.606 27.039 -5.692 1.00 0.00 C
444
+ ATOM 443 O PRO A 55 6.909 28.234 -2.785 1.00 0.00 O
445
+ ATOM 444 CG PRO A 55 5.990 25.677 -5.743 1.00 0.00 C
446
+ ATOM 445 CD PRO A 55 6.194 25.012 -4.412 1.00 0.00 C
447
+ ATOM 446 N SER A 56 8.597 28.992 -3.855 1.00 0.00 N
448
+ ATOM 447 CA SER A 56 8.613 30.250 -3.116 1.00 0.00 C
449
+ ATOM 448 C SER A 56 8.015 31.383 -3.942 1.00 0.00 C
450
+ ATOM 449 CB SER A 56 10.040 30.608 -2.700 1.00 0.00 C
451
+ ATOM 450 O SER A 56 8.150 31.404 -5.167 1.00 0.00 O
452
+ ATOM 451 OG SER A 56 10.794 31.047 -3.817 1.00 0.00 O
453
+ ATOM 452 OXT SER A 56 7.603 31.839 -2.899 1.00 0.00 O
454
+ TER 453 SER A 56
455
+ END
1prl/1prl_protein_processed_fix.pdb ADDED
@@ -0,0 +1,877 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N THR A 1 13.804 29.568 -8.080 1.00 0.00 N
3
+ ATOM 2 CA THR A 1 14.578 28.837 -7.038 1.00 0.00 C
4
+ ATOM 3 C THR A 1 13.610 28.157 -6.067 1.00 0.00 C
5
+ ATOM 4 O THR A 1 12.653 28.751 -5.612 1.00 0.00 O
6
+ ATOM 5 CB THR A 1 15.460 29.823 -6.270 1.00 0.00 C
7
+ ATOM 6 OG1 THR A 1 15.281 31.129 -6.800 1.00 0.00 O
8
+ ATOM 7 CG2 THR A 1 16.928 29.413 -6.404 1.00 0.00 C
9
+ ATOM 8 HA THR A 1 15.136 28.167 -7.462 1.00 0.00 H
10
+ ATOM 9 HB THR A 1 15.210 29.816 -5.333 1.00 0.00 H
11
+ ATOM 10 HG1 THR A 1 14.567 31.157 -7.242 1.00 0.00 H
12
+ ATOM 11 HG21 THR A 1 17.485 30.040 -5.916 1.00 0.00 H
13
+ ATOM 12 HG22 THR A 1 17.050 28.522 -6.040 1.00 0.00 H
14
+ ATOM 13 HG23 THR A 1 17.181 29.417 -7.340 1.00 0.00 H
15
+ ATOM 14 N PHE A 2 13.851 26.914 -5.749 1.00 0.00 N
16
+ ATOM 15 CA PHE A 2 12.944 26.197 -4.808 1.00 0.00 C
17
+ ATOM 16 C PHE A 2 13.445 26.385 -3.375 1.00 0.00 C
18
+ ATOM 17 O PHE A 2 14.570 26.784 -3.148 1.00 0.00 O
19
+ ATOM 18 CB PHE A 2 12.931 24.707 -5.150 1.00 0.00 C
20
+ ATOM 19 CG PHE A 2 11.803 24.419 -6.144 1.00 0.00 C
21
+ ATOM 20 CD1 PHE A 2 11.530 25.305 -7.170 1.00 0.00 C
22
+ ATOM 21 CD2 PHE A 2 11.045 23.268 -6.029 1.00 0.00 C
23
+ ATOM 22 CE1 PHE A 2 10.514 25.045 -8.067 1.00 0.00 C
24
+ ATOM 23 CE2 PHE A 2 10.029 23.008 -6.927 1.00 0.00 C
25
+ ATOM 24 CZ PHE A 2 9.764 23.896 -7.945 1.00 0.00 C
26
+ ATOM 25 H PHE A 2 14.513 26.451 -6.045 1.00 0.00 H
27
+ ATOM 26 HA PHE A 2 12.046 26.556 -4.887 1.00 0.00 H
28
+ ATOM 27 HB2 PHE A 2 13.784 24.445 -5.530 1.00 0.00 H
29
+ ATOM 28 HB3 PHE A 2 12.806 24.182 -4.344 1.00 0.00 H
30
+ ATOM 29 HD1 PHE A 2 12.035 26.081 -7.256 1.00 0.00 H
31
+ ATOM 30 HD2 PHE A 2 11.221 22.666 -5.343 1.00 0.00 H
32
+ ATOM 31 HE1 PHE A 2 10.336 25.646 -8.754 1.00 0.00 H
33
+ ATOM 32 HE2 PHE A 2 9.523 22.232 -6.844 1.00 0.00 H
34
+ ATOM 33 HZ PHE A 2 9.080 23.720 -8.550 1.00 0.00 H
35
+ ATOM 34 N VAL A 3 12.618 26.103 -2.406 1.00 0.00 N
36
+ ATOM 35 CA VAL A 3 13.048 26.265 -0.989 1.00 0.00 C
37
+ ATOM 36 C VAL A 3 12.879 24.935 -0.252 1.00 0.00 C
38
+ ATOM 37 O VAL A 3 11.865 24.276 -0.367 1.00 0.00 O
39
+ ATOM 38 CB VAL A 3 12.191 27.339 -0.316 1.00 0.00 C
40
+ ATOM 39 CG1 VAL A 3 12.483 27.356 1.186 1.00 0.00 C
41
+ ATOM 40 CG2 VAL A 3 12.525 28.706 -0.916 1.00 0.00 C
42
+ ATOM 41 H VAL A 3 11.813 25.820 -2.514 1.00 0.00 H
43
+ ATOM 42 HA VAL A 3 13.980 26.533 -0.960 1.00 0.00 H
44
+ ATOM 43 HB VAL A 3 11.252 27.143 -0.461 1.00 0.00 H
45
+ ATOM 44 HG11 VAL A 3 11.940 28.037 1.614 1.00 0.00 H
46
+ ATOM 45 HG12 VAL A 3 12.273 26.489 1.567 1.00 0.00 H
47
+ ATOM 46 HG13 VAL A 3 13.422 27.553 1.331 1.00 0.00 H
48
+ ATOM 47 HG21 VAL A 3 11.982 29.388 -0.490 1.00 0.00 H
49
+ ATOM 48 HG22 VAL A 3 13.464 28.903 -0.771 1.00 0.00 H
50
+ ATOM 49 HG23 VAL A 3 12.341 28.695 -1.868 1.00 0.00 H
51
+ ATOM 50 N ALA A 4 13.862 24.536 0.505 1.00 0.00 N
52
+ ATOM 51 CA ALA A 4 13.757 23.249 1.247 1.00 0.00 C
53
+ ATOM 52 C ALA A 4 12.896 23.436 2.497 1.00 0.00 C
54
+ ATOM 53 O ALA A 4 13.295 24.076 3.449 1.00 0.00 O
55
+ ATOM 54 CB ALA A 4 15.155 22.784 1.658 1.00 0.00 C
56
+ ATOM 55 H ALA A 4 14.598 24.966 0.621 1.00 0.00 H
57
+ ATOM 56 HA ALA A 4 13.346 22.583 0.674 1.00 0.00 H
58
+ ATOM 57 HB1 ALA A 4 15.088 21.946 2.141 1.00 0.00 H
59
+ ATOM 58 HB2 ALA A 4 15.700 22.657 0.866 1.00 0.00 H
60
+ ATOM 59 HB3 ALA A 4 15.564 23.454 2.228 1.00 0.00 H
61
+ ATOM 60 N LEU A 5 11.716 22.878 2.501 1.00 0.00 N
62
+ ATOM 61 CA LEU A 5 10.827 23.020 3.687 1.00 0.00 C
63
+ ATOM 62 C LEU A 5 11.328 22.116 4.812 1.00 0.00 C
64
+ ATOM 63 O LEU A 5 11.638 22.569 5.895 1.00 0.00 O
65
+ ATOM 64 CB LEU A 5 9.404 22.603 3.315 1.00 0.00 C
66
+ ATOM 65 CG LEU A 5 8.923 23.419 2.116 1.00 0.00 C
67
+ ATOM 66 CD1 LEU A 5 7.518 22.956 1.727 1.00 0.00 C
68
+ ATOM 67 CD2 LEU A 5 8.890 24.903 2.488 1.00 0.00 C
69
+ ATOM 68 H LEU A 5 11.390 22.415 1.853 1.00 0.00 H
70
+ ATOM 69 HA LEU A 5 10.833 23.945 3.979 1.00 0.00 H
71
+ ATOM 70 HB2 LEU A 5 9.380 21.657 3.103 1.00 0.00 H
72
+ ATOM 71 HB3 LEU A 5 8.810 22.740 4.070 1.00 0.00 H
73
+ ATOM 72 HG LEU A 5 9.527 23.290 1.368 1.00 0.00 H
74
+ ATOM 73 HD11 LEU A 5 7.207 23.471 0.966 1.00 0.00 H
75
+ ATOM 74 HD12 LEU A 5 7.540 22.015 1.493 1.00 0.00 H
76
+ ATOM 75 HD13 LEU A 5 6.915 23.089 2.475 1.00 0.00 H
77
+ ATOM 76 HD21 LEU A 5 8.585 25.421 1.727 1.00 0.00 H
78
+ ATOM 77 HD22 LEU A 5 8.284 25.037 3.233 1.00 0.00 H
79
+ ATOM 78 HD23 LEU A 5 9.781 25.194 2.740 1.00 0.00 H
80
+ ATOM 79 N TYR A 6 11.411 20.837 4.563 1.00 0.00 N
81
+ ATOM 80 CA TYR A 6 11.891 19.905 5.621 1.00 0.00 C
82
+ ATOM 81 C TYR A 6 13.371 19.594 5.385 1.00 0.00 C
83
+ ATOM 82 O TYR A 6 13.810 19.425 4.265 1.00 0.00 O
84
+ ATOM 83 CB TYR A 6 11.074 18.606 5.581 1.00 0.00 C
85
+ ATOM 84 CG TYR A 6 9.598 18.919 5.293 1.00 0.00 C
86
+ ATOM 85 CD1 TYR A 6 9.080 20.178 5.533 1.00 0.00 C
87
+ ATOM 86 CD2 TYR A 6 8.770 17.950 4.765 1.00 0.00 C
88
+ ATOM 87 CE1 TYR A 6 7.761 20.462 5.245 1.00 0.00 C
89
+ ATOM 88 CE2 TYR A 6 7.450 18.234 4.477 1.00 0.00 C
90
+ ATOM 89 CZ TYR A 6 6.935 19.492 4.715 1.00 0.00 C
91
+ ATOM 90 OH TYR A 6 5.615 19.774 4.430 1.00 0.00 O
92
+ ATOM 91 H TYR A 6 11.206 20.468 3.814 1.00 0.00 H
93
+ ATOM 92 HA TYR A 6 11.781 20.319 6.491 1.00 0.00 H
94
+ ATOM 93 HB2 TYR A 6 11.426 18.015 4.897 1.00 0.00 H
95
+ ATOM 94 HB3 TYR A 6 11.154 18.139 6.428 1.00 0.00 H
96
+ ATOM 95 HD1 TYR A 6 9.626 20.840 5.892 1.00 0.00 H
97
+ ATOM 96 HD2 TYR A 6 9.104 17.098 4.602 1.00 0.00 H
98
+ ATOM 97 HE1 TYR A 6 7.426 21.314 5.409 1.00 0.00 H
99
+ ATOM 98 HE2 TYR A 6 6.903 17.572 4.120 1.00 0.00 H
100
+ ATOM 99 HH TYR A 6 5.474 20.595 4.539 1.00 0.00 H
101
+ ATOM 100 N ASP A 7 14.142 19.517 6.435 1.00 0.00 N
102
+ ATOM 101 CA ASP A 7 15.592 19.218 6.281 1.00 0.00 C
103
+ ATOM 102 C ASP A 7 15.783 17.845 5.632 1.00 0.00 C
104
+ ATOM 103 O ASP A 7 15.488 16.823 6.219 1.00 0.00 O
105
+ ATOM 104 CB ASP A 7 16.253 19.226 7.660 1.00 0.00 C
106
+ ATOM 105 CG ASP A 7 15.324 18.556 8.675 1.00 0.00 C
107
+ ATOM 106 OD1 ASP A 7 14.408 17.872 8.249 1.00 0.00 O
108
+ ATOM 107 OD2 ASP A 7 15.544 18.741 9.861 1.00 0.00 O
109
+ ATOM 108 H ASP A 7 13.877 19.628 7.246 1.00 0.00 H
110
+ ATOM 109 HA ASP A 7 15.999 19.892 5.714 1.00 0.00 H
111
+ ATOM 110 HB2 ASP A 7 17.102 18.758 7.625 1.00 0.00 H
112
+ ATOM 111 HB3 ASP A 7 16.443 20.137 7.933 1.00 0.00 H
113
+ ATOM 112 N TYR A 8 16.275 17.816 4.422 1.00 0.00 N
114
+ ATOM 113 CA TYR A 8 16.488 16.513 3.730 1.00 0.00 C
115
+ ATOM 114 C TYR A 8 17.825 15.919 4.181 1.00 0.00 C
116
+ ATOM 115 O TYR A 8 18.878 16.477 3.932 1.00 0.00 O
117
+ ATOM 116 CB TYR A 8 16.511 16.743 2.215 1.00 0.00 C
118
+ ATOM 117 CG TYR A 8 17.117 15.525 1.510 1.00 0.00 C
119
+ ATOM 118 CD1 TYR A 8 16.780 14.245 1.902 1.00 0.00 C
120
+ ATOM 119 CD2 TYR A 8 18.011 15.692 0.470 1.00 0.00 C
121
+ ATOM 120 CE1 TYR A 8 17.328 13.150 1.265 1.00 0.00 C
122
+ ATOM 121 CE2 TYR A 8 18.558 14.596 -0.167 1.00 0.00 C
123
+ ATOM 122 CZ TYR A 8 18.220 13.317 0.225 1.00 0.00 C
124
+ ATOM 123 OH TYR A 8 18.767 12.221 -0.412 1.00 0.00 O
125
+ ATOM 124 H TYR A 8 16.497 18.511 3.967 1.00 0.00 H
126
+ ATOM 125 HA TYR A 8 15.770 15.900 3.951 1.00 0.00 H
127
+ ATOM 126 HB2 TYR A 8 15.610 16.899 1.890 1.00 0.00 H
128
+ ATOM 127 HB3 TYR A 8 17.029 17.537 2.008 1.00 0.00 H
129
+ ATOM 128 HD1 TYR A 8 16.179 14.120 2.601 1.00 0.00 H
130
+ ATOM 129 HD2 TYR A 8 18.246 16.549 0.197 1.00 0.00 H
131
+ ATOM 130 HE1 TYR A 8 17.094 12.293 1.539 1.00 0.00 H
132
+ ATOM 131 HE2 TYR A 8 19.159 14.721 -0.866 1.00 0.00 H
133
+ ATOM 132 HH TYR A 8 19.605 12.278 -0.398 1.00 0.00 H
134
+ ATOM 133 N GLU A 9 17.790 14.793 4.841 1.00 0.00 N
135
+ ATOM 134 CA GLU A 9 19.055 14.159 5.309 1.00 0.00 C
136
+ ATOM 135 C GLU A 9 19.444 13.034 4.349 1.00 0.00 C
137
+ ATOM 136 O GLU A 9 18.878 11.959 4.374 1.00 0.00 O
138
+ ATOM 137 CB GLU A 9 18.844 13.585 6.712 1.00 0.00 C
139
+ ATOM 138 CG GLU A 9 20.021 12.679 7.079 1.00 0.00 C
140
+ ATOM 139 CD GLU A 9 19.716 11.955 8.392 1.00 0.00 C
141
+ ATOM 140 OE1 GLU A 9 18.596 12.071 8.861 1.00 0.00 O
142
+ ATOM 141 OE2 GLU A 9 20.607 11.297 8.903 1.00 0.00 O
143
+ ATOM 142 H GLU A 9 17.072 14.364 5.040 1.00 0.00 H
144
+ ATOM 143 HA GLU A 9 19.763 14.822 5.333 1.00 0.00 H
145
+ ATOM 144 HB2 GLU A 9 18.765 14.305 7.357 1.00 0.00 H
146
+ ATOM 145 HB3 GLU A 9 18.015 13.083 6.744 1.00 0.00 H
147
+ ATOM 146 HG2 GLU A 9 20.178 12.034 6.372 1.00 0.00 H
148
+ ATOM 147 HG3 GLU A 9 20.831 13.205 7.169 1.00 0.00 H
149
+ ATOM 148 N SER A 10 20.410 13.270 3.502 1.00 0.00 N
150
+ ATOM 149 CA SER A 10 20.834 12.213 2.543 1.00 0.00 C
151
+ ATOM 150 C SER A 10 21.663 11.157 3.276 1.00 0.00 C
152
+ ATOM 151 O SER A 10 22.335 11.445 4.247 1.00 0.00 O
153
+ ATOM 152 CB SER A 10 21.678 12.843 1.433 1.00 0.00 C
154
+ ATOM 153 OG SER A 10 20.837 13.214 0.351 1.00 0.00 O
155
+ ATOM 154 H SER A 10 20.842 14.011 3.445 1.00 0.00 H
156
+ ATOM 155 HA SER A 10 20.049 11.794 2.157 1.00 0.00 H
157
+ ATOM 156 HB2 SER A 10 22.147 13.621 1.772 1.00 0.00 H
158
+ ATOM 157 HB3 SER A 10 22.353 12.215 1.130 1.00 0.00 H
159
+ ATOM 158 HG SER A 10 20.133 13.562 0.649 1.00 0.00 H
160
+ ATOM 159 N ARG A 11 21.619 9.935 2.821 1.00 0.00 N
161
+ ATOM 160 CA ARG A 11 22.404 8.860 3.492 1.00 0.00 C
162
+ ATOM 161 C ARG A 11 23.706 8.626 2.723 1.00 0.00 C
163
+ ATOM 162 O ARG A 11 24.619 7.987 3.207 1.00 0.00 O
164
+ ATOM 163 CB ARG A 11 21.586 7.567 3.515 1.00 0.00 C
165
+ ATOM 164 CG ARG A 11 21.355 7.135 4.965 1.00 0.00 C
166
+ ATOM 165 CD ARG A 11 22.454 6.158 5.388 1.00 0.00 C
167
+ ATOM 166 NE ARG A 11 22.512 6.090 6.876 1.00 0.00 N
168
+ ATOM 167 CZ ARG A 11 21.620 5.400 7.535 1.00 0.00 C
169
+ ATOM 168 NH1 ARG A 11 20.673 4.768 6.895 1.00 0.00 N
170
+ ATOM 169 NH2 ARG A 11 21.675 5.341 8.838 1.00 0.00 N
171
+ ATOM 170 H ARG A 11 21.159 9.681 2.140 1.00 0.00 H
172
+ ATOM 171 HA ARG A 11 22.608 9.128 4.402 1.00 0.00 H
173
+ ATOM 172 HB2 ARG A 11 20.736 7.703 3.068 1.00 0.00 H
174
+ ATOM 173 HB3 ARG A 11 22.053 6.869 3.030 1.00 0.00 H
175
+ ATOM 174 HG2 ARG A 11 21.356 7.910 5.548 1.00 0.00 H
176
+ ATOM 175 HG3 ARG A 11 20.485 6.716 5.053 1.00 0.00 H
177
+ ATOM 176 HD2 ARG A 11 22.277 5.278 5.021 1.00 0.00 H
178
+ ATOM 177 HD3 ARG A 11 23.310 6.446 5.034 1.00 0.00 H
179
+ ATOM 178 HE ARG A 11 23.133 6.506 7.301 1.00 0.00 H
180
+ ATOM 179 HH11 ARG A 11 20.635 4.805 6.037 1.00 0.00 H
181
+ ATOM 180 HH12 ARG A 11 20.087 4.315 7.332 1.00 0.00 H
182
+ ATOM 181 HH21 ARG A 11 22.298 5.756 9.261 1.00 0.00 H
183
+ ATOM 182 HH22 ARG A 11 21.088 4.887 9.273 1.00 0.00 H
184
+ ATOM 183 N THR A 12 23.800 9.139 1.525 1.00 0.00 N
185
+ ATOM 184 CA THR A 12 25.043 8.945 0.727 1.00 0.00 C
186
+ ATOM 185 C THR A 12 25.689 10.305 0.452 1.00 0.00 C
187
+ ATOM 186 O THR A 12 25.149 11.338 0.793 1.00 0.00 O
188
+ ATOM 187 CB THR A 12 24.698 8.263 -0.599 1.00 0.00 C
189
+ ATOM 188 OG1 THR A 12 25.889 8.061 -1.347 1.00 0.00 O
190
+ ATOM 189 CG2 THR A 12 23.735 9.144 -1.397 1.00 0.00 C
191
+ ATOM 190 H THR A 12 23.184 9.598 1.138 1.00 0.00 H
192
+ ATOM 191 HA THR A 12 25.663 8.388 1.223 1.00 0.00 H
193
+ ATOM 192 HB THR A 12 24.276 7.408 -0.422 1.00 0.00 H
194
+ ATOM 193 HG1 THR A 12 25.693 7.814 -2.125 1.00 0.00 H
195
+ ATOM 194 HG21 THR A 12 23.518 8.709 -2.237 1.00 0.00 H
196
+ ATOM 195 HG22 THR A 12 22.922 9.281 -0.885 1.00 0.00 H
197
+ ATOM 196 HG23 THR A 12 24.153 10.001 -1.576 1.00 0.00 H
198
+ ATOM 197 N GLU A 13 26.841 10.313 -0.161 1.00 0.00 N
199
+ ATOM 198 CA GLU A 13 27.519 11.604 -0.455 1.00 0.00 C
200
+ ATOM 199 C GLU A 13 27.016 12.159 -1.790 1.00 0.00 C
201
+ ATOM 200 O GLU A 13 27.155 13.333 -2.077 1.00 0.00 O
202
+ ATOM 201 CB GLU A 13 29.028 11.375 -0.533 1.00 0.00 C
203
+ ATOM 202 CG GLU A 13 29.318 10.097 -1.324 1.00 0.00 C
204
+ ATOM 203 CD GLU A 13 30.790 10.080 -1.741 1.00 0.00 C
205
+ ATOM 204 OE1 GLU A 13 31.619 9.755 -0.908 1.00 0.00 O
206
+ ATOM 205 OE2 GLU A 13 31.064 10.393 -2.889 1.00 0.00 O
207
+ ATOM 206 H GLU A 13 27.263 9.610 -0.422 1.00 0.00 H
208
+ ATOM 207 HA GLU A 13 27.322 12.241 0.250 1.00 0.00 H
209
+ ATOM 208 HB2 GLU A 13 29.457 12.133 -0.959 1.00 0.00 H
210
+ ATOM 209 HB3 GLU A 13 29.399 11.304 0.360 1.00 0.00 H
211
+ ATOM 210 HG2 GLU A 13 29.116 9.317 -0.784 1.00 0.00 H
212
+ ATOM 211 HG3 GLU A 13 28.749 10.054 -2.108 1.00 0.00 H
213
+ ATOM 212 N THR A 14 26.433 11.329 -2.611 1.00 0.00 N
214
+ ATOM 213 CA THR A 14 25.925 11.815 -3.925 1.00 0.00 C
215
+ ATOM 214 C THR A 14 24.949 12.969 -3.696 1.00 0.00 C
216
+ ATOM 215 O THR A 14 25.248 14.114 -3.975 1.00 0.00 O
217
+ ATOM 216 CB THR A 14 25.199 10.678 -4.648 1.00 0.00 C
218
+ ATOM 217 OG1 THR A 14 26.022 9.519 -4.652 1.00 0.00 O
219
+ ATOM 218 CG2 THR A 14 24.898 11.100 -6.087 1.00 0.00 C
220
+ ATOM 219 H THR A 14 26.310 10.492 -2.457 1.00 0.00 H
221
+ ATOM 220 HA THR A 14 26.671 12.119 -4.465 1.00 0.00 H
222
+ ATOM 221 HB THR A 14 24.367 10.480 -4.190 1.00 0.00 H
223
+ ATOM 222 HG1 THR A 14 25.688 8.940 -5.161 1.00 0.00 H
224
+ ATOM 223 HG21 THR A 14 24.438 10.380 -6.546 1.00 0.00 H
225
+ ATOM 224 HG22 THR A 14 24.336 11.891 -6.082 1.00 0.00 H
226
+ ATOM 225 HG23 THR A 14 25.729 11.297 -6.547 1.00 0.00 H
227
+ ATOM 226 N ASP A 15 23.783 12.676 -3.192 1.00 0.00 N
228
+ ATOM 227 CA ASP A 15 22.785 13.753 -2.944 1.00 0.00 C
229
+ ATOM 228 C ASP A 15 23.201 14.549 -1.707 1.00 0.00 C
230
+ ATOM 229 O ASP A 15 23.438 13.993 -0.653 1.00 0.00 O
231
+ ATOM 230 CB ASP A 15 21.409 13.127 -2.711 1.00 0.00 C
232
+ ATOM 231 CG ASP A 15 21.258 11.888 -3.596 1.00 0.00 C
233
+ ATOM 232 OD1 ASP A 15 21.906 11.841 -4.630 1.00 0.00 O
234
+ ATOM 233 OD2 ASP A 15 20.499 11.008 -3.227 1.00 0.00 O
235
+ ATOM 234 H ASP A 15 23.526 11.883 -2.980 1.00 0.00 H
236
+ ATOM 235 HA ASP A 15 22.744 14.344 -3.712 1.00 0.00 H
237
+ ATOM 236 HB2 ASP A 15 21.307 12.884 -1.777 1.00 0.00 H
238
+ ATOM 237 HB3 ASP A 15 20.712 13.769 -2.915 1.00 0.00 H
239
+ ATOM 238 N LEU A 16 23.293 15.845 -1.822 1.00 0.00 N
240
+ ATOM 239 CA LEU A 16 23.695 16.662 -0.643 1.00 0.00 C
241
+ ATOM 240 C LEU A 16 22.498 16.821 0.289 1.00 0.00 C
242
+ ATOM 241 O LEU A 16 21.359 16.667 -0.109 1.00 0.00 O
243
+ ATOM 242 CB LEU A 16 24.171 18.048 -1.091 1.00 0.00 C
244
+ ATOM 243 CG LEU A 16 24.795 17.967 -2.485 1.00 0.00 C
245
+ ATOM 244 CD1 LEU A 16 25.465 19.302 -2.819 1.00 0.00 C
246
+ ATOM 245 CD2 LEU A 16 25.841 16.851 -2.523 1.00 0.00 C
247
+ ATOM 246 H LEU A 16 23.137 16.289 -2.542 1.00 0.00 H
248
+ ATOM 247 HA LEU A 16 24.421 16.213 -0.182 1.00 0.00 H
249
+ ATOM 248 HB2 LEU A 16 23.424 18.667 -1.099 1.00 0.00 H
250
+ ATOM 249 HB3 LEU A 16 24.820 18.395 -0.459 1.00 0.00 H
251
+ ATOM 250 HG LEU A 16 24.101 17.777 -3.135 1.00 0.00 H
252
+ ATOM 251 HD11 LEU A 16 25.862 19.253 -3.703 1.00 0.00 H
253
+ ATOM 252 HD12 LEU A 16 24.802 20.010 -2.801 1.00 0.00 H
254
+ ATOM 253 HD13 LEU A 16 26.156 19.490 -2.165 1.00 0.00 H
255
+ ATOM 254 HD21 LEU A 16 26.233 16.805 -3.409 1.00 0.00 H
256
+ ATOM 255 HD22 LEU A 16 26.536 17.036 -1.872 1.00 0.00 H
257
+ ATOM 256 HD23 LEU A 16 25.418 16.004 -2.312 1.00 0.00 H
258
+ ATOM 257 N SER A 17 22.746 17.128 1.527 1.00 0.00 N
259
+ ATOM 258 CA SER A 17 21.628 17.300 2.492 1.00 0.00 C
260
+ ATOM 259 C SER A 17 21.369 18.793 2.696 1.00 0.00 C
261
+ ATOM 260 O SER A 17 22.282 19.595 2.687 1.00 0.00 O
262
+ ATOM 261 CB SER A 17 22.008 16.660 3.828 1.00 0.00 C
263
+ ATOM 262 OG SER A 17 23.310 16.104 3.735 1.00 0.00 O
264
+ ATOM 263 H SER A 17 23.532 17.246 1.854 1.00 0.00 H
265
+ ATOM 264 HA SER A 17 20.828 16.874 2.147 1.00 0.00 H
266
+ ATOM 265 HB2 SER A 17 21.979 17.324 4.535 1.00 0.00 H
267
+ ATOM 266 HB3 SER A 17 21.367 15.970 4.061 1.00 0.00 H
268
+ ATOM 267 HG SER A 17 23.519 15.754 4.470 1.00 0.00 H
269
+ ATOM 268 N PHE A 18 20.136 19.177 2.882 1.00 0.00 N
270
+ ATOM 269 CA PHE A 18 19.841 20.623 3.086 1.00 0.00 C
271
+ ATOM 270 C PHE A 18 18.900 20.797 4.278 1.00 0.00 C
272
+ ATOM 271 O PHE A 18 17.999 20.013 4.492 1.00 0.00 O
273
+ ATOM 272 CB PHE A 18 19.188 21.208 1.827 1.00 0.00 C
274
+ ATOM 273 CG PHE A 18 17.952 20.397 1.445 1.00 0.00 C
275
+ ATOM 274 CD1 PHE A 18 16.781 20.550 2.155 1.00 0.00 C
276
+ ATOM 275 CD2 PHE A 18 17.981 19.525 0.371 1.00 0.00 C
277
+ ATOM 276 CE1 PHE A 18 15.649 19.844 1.801 1.00 0.00 C
278
+ ATOM 277 CE2 PHE A 18 16.849 18.819 0.015 1.00 0.00 C
279
+ ATOM 278 CZ PHE A 18 15.684 18.978 0.730 1.00 0.00 C
280
+ ATOM 279 H PHE A 18 19.453 18.655 2.898 1.00 0.00 H
281
+ ATOM 280 HA PHE A 18 20.672 21.092 3.261 1.00 0.00 H
282
+ ATOM 281 HB2 PHE A 18 18.940 22.133 1.984 1.00 0.00 H
283
+ ATOM 282 HB3 PHE A 18 19.824 21.205 1.094 1.00 0.00 H
284
+ ATOM 283 HD1 PHE A 18 16.753 21.134 2.879 1.00 0.00 H
285
+ ATOM 284 HD2 PHE A 18 18.767 19.414 -0.114 1.00 0.00 H
286
+ ATOM 285 HE1 PHE A 18 14.863 19.953 2.285 1.00 0.00 H
287
+ ATOM 286 HE2 PHE A 18 16.874 18.235 -0.709 1.00 0.00 H
288
+ ATOM 287 HZ PHE A 18 14.922 18.502 0.491 1.00 0.00 H
289
+ ATOM 288 N LYS A 19 19.108 21.822 5.059 1.00 0.00 N
290
+ ATOM 289 CA LYS A 19 18.230 22.052 6.240 1.00 0.00 C
291
+ ATOM 290 C LYS A 19 17.038 22.914 5.824 1.00 0.00 C
292
+ ATOM 291 O LYS A 19 16.824 23.174 4.655 1.00 0.00 O
293
+ ATOM 292 CB LYS A 19 19.024 22.770 7.332 1.00 0.00 C
294
+ ATOM 293 CG LYS A 19 20.325 22.009 7.600 1.00 0.00 C
295
+ ATOM 294 CD LYS A 19 20.761 22.242 9.048 1.00 0.00 C
296
+ ATOM 295 CE LYS A 19 21.287 20.932 9.639 1.00 0.00 C
297
+ ATOM 296 NZ LYS A 19 21.629 21.139 11.075 1.00 0.00 N
298
+ ATOM 297 H LYS A 19 19.733 22.403 4.950 1.00 0.00 H
299
+ ATOM 298 HA LYS A 19 17.912 21.201 6.580 1.00 0.00 H
300
+ ATOM 299 HB2 LYS A 19 19.220 23.679 7.058 1.00 0.00 H
301
+ ATOM 300 HB3 LYS A 19 18.497 22.826 8.145 1.00 0.00 H
302
+ ATOM 301 HG2 LYS A 19 20.196 21.061 7.439 1.00 0.00 H
303
+ ATOM 302 HG3 LYS A 19 21.018 22.308 6.991 1.00 0.00 H
304
+ ATOM 303 HD2 LYS A 19 21.450 22.924 9.083 1.00 0.00 H
305
+ ATOM 304 HD3 LYS A 19 20.013 22.568 9.573 1.00 0.00 H
306
+ ATOM 305 HE2 LYS A 19 20.618 20.235 9.553 1.00 0.00 H
307
+ ATOM 306 HE3 LYS A 19 22.070 20.636 9.149 1.00 0.00 H
308
+ ATOM 307 HZ1 LYS A 19 21.313 20.460 11.556 1.00 0.00 H
309
+ ATOM 308 HZ2 LYS A 19 22.513 21.181 11.167 1.00 0.00 H
310
+ ATOM 309 HZ3 LYS A 19 21.265 21.899 11.360 1.00 0.00 H
311
+ ATOM 310 N LYS A 20 16.260 23.361 6.769 1.00 0.00 N
312
+ ATOM 311 CA LYS A 20 15.082 24.206 6.427 1.00 0.00 C
313
+ ATOM 312 C LYS A 20 15.540 25.645 6.178 1.00 0.00 C
314
+ ATOM 313 O LYS A 20 15.795 26.393 7.101 1.00 0.00 O
315
+ ATOM 314 CB LYS A 20 14.084 24.182 7.585 1.00 0.00 C
316
+ ATOM 315 CG LYS A 20 12.966 25.191 7.314 1.00 0.00 C
317
+ ATOM 316 CD LYS A 20 11.707 24.774 8.077 1.00 0.00 C
318
+ ATOM 317 CE LYS A 20 10.838 26.005 8.335 1.00 0.00 C
319
+ ATOM 318 NZ LYS A 20 10.651 26.184 9.802 1.00 0.00 N
320
+ ATOM 319 H LYS A 20 16.368 23.207 7.608 1.00 0.00 H
321
+ ATOM 320 HA LYS A 20 14.657 23.859 5.627 1.00 0.00 H
322
+ ATOM 321 HB2 LYS A 20 13.712 23.292 7.686 1.00 0.00 H
323
+ ATOM 322 HB3 LYS A 20 14.534 24.398 8.417 1.00 0.00 H
324
+ ATOM 323 HG2 LYS A 20 13.244 26.078 7.590 1.00 0.00 H
325
+ ATOM 324 HG3 LYS A 20 12.780 25.235 6.363 1.00 0.00 H
326
+ ATOM 325 HD2 LYS A 20 11.210 24.116 7.566 1.00 0.00 H
327
+ ATOM 326 HD3 LYS A 20 11.950 24.355 8.918 1.00 0.00 H
328
+ ATOM 327 HE2 LYS A 20 11.256 26.793 7.954 1.00 0.00 H
329
+ ATOM 328 HE3 LYS A 20 9.977 25.902 7.900 1.00 0.00 H
330
+ ATOM 329 HZ1 LYS A 20 10.395 27.020 9.969 1.00 0.00 H
331
+ ATOM 330 HZ2 LYS A 20 10.028 25.619 10.093 1.00 0.00 H
332
+ ATOM 331 HZ3 LYS A 20 11.419 26.020 10.222 1.00 0.00 H
333
+ ATOM 332 N GLY A 21 15.646 26.038 4.937 1.00 0.00 N
334
+ ATOM 333 CA GLY A 21 16.087 27.428 4.631 1.00 0.00 C
335
+ ATOM 334 C GLY A 21 17.028 27.412 3.426 1.00 0.00 C
336
+ ATOM 335 O GLY A 21 17.173 28.394 2.724 1.00 0.00 O
337
+ ATOM 336 H GLY A 21 15.478 25.548 4.251 1.00 0.00 H
338
+ ATOM 337 HA2 GLY A 21 15.317 27.988 4.445 1.00 0.00 H
339
+ ATOM 338 HA3 GLY A 21 16.537 27.811 5.400 1.00 0.00 H
340
+ ATOM 339 N GLU A 22 17.671 26.304 3.176 1.00 0.00 N
341
+ ATOM 340 CA GLU A 22 18.602 26.229 2.016 1.00 0.00 C
342
+ ATOM 341 C GLU A 22 17.798 26.263 0.714 1.00 0.00 C
343
+ ATOM 342 O GLU A 22 16.760 25.643 0.597 1.00 0.00 O
344
+ ATOM 343 CB GLU A 22 19.401 24.927 2.087 1.00 0.00 C
345
+ ATOM 344 CG GLU A 22 20.210 24.755 0.801 1.00 0.00 C
346
+ ATOM 345 CD GLU A 22 21.635 24.319 1.150 1.00 0.00 C
347
+ ATOM 346 OE1 GLU A 22 22.170 24.834 2.117 1.00 0.00 O
348
+ ATOM 347 OE2 GLU A 22 22.165 23.478 0.444 1.00 0.00 O
349
+ ATOM 348 H GLU A 22 17.604 25.582 3.639 1.00 0.00 H
350
+ ATOM 349 HA GLU A 22 19.211 26.984 2.041 1.00 0.00 H
351
+ ATOM 350 HB2 GLU A 22 19.994 24.942 2.854 1.00 0.00 H
352
+ ATOM 351 HB3 GLU A 22 18.801 24.174 2.206 1.00 0.00 H
353
+ ATOM 352 HG2 GLU A 22 19.790 24.094 0.229 1.00 0.00 H
354
+ ATOM 353 HG3 GLU A 22 20.229 25.588 0.305 1.00 0.00 H
355
+ ATOM 354 N ARG A 23 18.270 26.982 -0.266 1.00 0.00 N
356
+ ATOM 355 CA ARG A 23 17.533 27.056 -1.559 1.00 0.00 C
357
+ ATOM 356 C ARG A 23 18.293 26.263 -2.625 1.00 0.00 C
358
+ ATOM 357 O ARG A 23 19.500 26.135 -2.574 1.00 0.00 O
359
+ ATOM 358 CB ARG A 23 17.415 28.515 -1.998 1.00 0.00 C
360
+ ATOM 359 CG ARG A 23 16.757 29.332 -0.885 1.00 0.00 C
361
+ ATOM 360 CD ARG A 23 17.518 30.647 -0.697 1.00 0.00 C
362
+ ATOM 361 NE ARG A 23 17.810 31.245 -2.030 1.00 0.00 N
363
+ ATOM 362 CZ ARG A 23 18.307 32.451 -2.112 1.00 0.00 C
364
+ ATOM 363 NH1 ARG A 23 18.551 33.137 -1.028 1.00 0.00 N
365
+ ATOM 364 NH2 ARG A 23 18.561 32.971 -3.282 1.00 0.00 N
366
+ ATOM 365 H ARG A 23 18.999 27.437 -0.234 1.00 0.00 H
367
+ ATOM 366 HA ARG A 23 16.646 26.680 -1.446 1.00 0.00 H
368
+ ATOM 367 HB2 ARG A 23 18.293 28.874 -2.200 1.00 0.00 H
369
+ ATOM 368 HB3 ARG A 23 16.890 28.577 -2.811 1.00 0.00 H
370
+ ATOM 369 HG2 ARG A 23 15.830 29.513 -1.108 1.00 0.00 H
371
+ ATOM 370 HG3 ARG A 23 16.756 28.827 -0.057 1.00 0.00 H
372
+ ATOM 371 HD2 ARG A 23 16.992 31.263 -0.163 1.00 0.00 H
373
+ ATOM 372 HD3 ARG A 23 18.344 30.488 -0.215 1.00 0.00 H
374
+ ATOM 373 HE ARG A 23 17.651 30.796 -2.746 1.00 0.00 H
375
+ ATOM 374 HH11 ARG A 23 18.385 32.795 -0.256 1.00 0.00 H
376
+ ATOM 375 HH12 ARG A 23 18.878 33.930 -1.086 1.00 0.00 H
377
+ ATOM 376 HH21 ARG A 23 18.401 32.520 -3.997 1.00 0.00 H
378
+ ATOM 377 HH22 ARG A 23 18.888 33.764 -3.338 1.00 0.00 H
379
+ ATOM 378 N LEU A 24 17.595 25.730 -3.590 1.00 0.00 N
380
+ ATOM 379 CA LEU A 24 18.280 24.948 -4.658 1.00 0.00 C
381
+ ATOM 380 C LEU A 24 17.544 25.146 -5.986 1.00 0.00 C
382
+ ATOM 381 O LEU A 24 16.330 25.193 -6.032 1.00 0.00 O
383
+ ATOM 382 CB LEU A 24 18.271 23.463 -4.286 1.00 0.00 C
384
+ ATOM 383 CG LEU A 24 18.955 23.273 -2.930 1.00 0.00 C
385
+ ATOM 384 CD1 LEU A 24 17.908 23.354 -1.817 1.00 0.00 C
386
+ ATOM 385 CD2 LEU A 24 19.636 21.905 -2.891 1.00 0.00 C
387
+ ATOM 386 H LEU A 24 16.741 25.791 -3.670 1.00 0.00 H
388
+ ATOM 387 HA LEU A 24 19.196 25.254 -4.747 1.00 0.00 H
389
+ ATOM 388 HB2 LEU A 24 17.359 23.135 -4.248 1.00 0.00 H
390
+ ATOM 389 HB3 LEU A 24 18.731 22.946 -4.966 1.00 0.00 H
391
+ ATOM 390 HG LEU A 24 19.619 23.968 -2.801 1.00 0.00 H
392
+ ATOM 391 HD11 LEU A 24 18.340 23.234 -0.957 1.00 0.00 H
393
+ ATOM 392 HD12 LEU A 24 17.475 24.222 -1.842 1.00 0.00 H
394
+ ATOM 393 HD13 LEU A 24 17.245 22.658 -1.945 1.00 0.00 H
395
+ ATOM 394 HD21 LEU A 24 20.070 21.784 -2.032 1.00 0.00 H
396
+ ATOM 395 HD22 LEU A 24 18.972 21.209 -3.019 1.00 0.00 H
397
+ ATOM 396 HD23 LEU A 24 20.299 21.853 -3.598 1.00 0.00 H
398
+ ATOM 397 N GLN A 25 18.267 25.263 -7.065 1.00 0.00 N
399
+ ATOM 398 CA GLN A 25 17.606 25.458 -8.387 1.00 0.00 C
400
+ ATOM 399 C GLN A 25 17.116 24.109 -8.918 1.00 0.00 C
401
+ ATOM 400 O GLN A 25 17.863 23.154 -8.999 1.00 0.00 O
402
+ ATOM 401 CB GLN A 25 18.607 26.061 -9.376 1.00 0.00 C
403
+ ATOM 402 CG GLN A 25 18.968 27.481 -8.935 1.00 0.00 C
404
+ ATOM 403 CD GLN A 25 19.881 28.123 -9.981 1.00 0.00 C
405
+ ATOM 404 OE1 GLN A 25 21.042 27.778 -10.083 1.00 0.00 O
406
+ ATOM 405 NE2 GLN A 25 19.404 29.048 -10.768 1.00 0.00 N
407
+ ATOM 406 H GLN A 25 19.126 25.237 -7.085 1.00 0.00 H
408
+ ATOM 407 HA GLN A 25 16.851 26.059 -8.284 1.00 0.00 H
409
+ ATOM 408 HB2 GLN A 25 19.406 25.512 -9.418 1.00 0.00 H
410
+ ATOM 409 HB3 GLN A 25 18.226 26.076 -10.268 1.00 0.00 H
411
+ ATOM 410 HG2 GLN A 25 18.163 28.011 -8.826 1.00 0.00 H
412
+ ATOM 411 HG3 GLN A 25 19.413 27.459 -8.073 1.00 0.00 H
413
+ ATOM 412 HE21 GLN A 25 18.583 29.292 -10.696 1.00 0.00 H
414
+ ATOM 413 HE22 GLN A 25 19.911 29.413 -11.359 1.00 0.00 H
415
+ ATOM 414 N ILE A 26 15.865 24.023 -9.281 1.00 0.00 N
416
+ ATOM 415 CA ILE A 26 15.329 22.735 -9.806 1.00 0.00 C
417
+ ATOM 416 C ILE A 26 15.929 22.462 -11.187 1.00 0.00 C
418
+ ATOM 417 O ILE A 26 16.039 23.345 -12.013 1.00 0.00 O
419
+ ATOM 418 CB ILE A 26 13.807 22.824 -9.919 1.00 0.00 C
420
+ ATOM 419 CG1 ILE A 26 13.210 23.163 -8.552 1.00 0.00 C
421
+ ATOM 420 CG2 ILE A 26 13.254 21.480 -10.397 1.00 0.00 C
422
+ ATOM 421 CD1 ILE A 26 13.774 22.207 -7.500 1.00 0.00 C
423
+ ATOM 422 H ILE A 26 15.297 24.668 -9.244 1.00 0.00 H
424
+ ATOM 423 HA ILE A 26 15.565 22.014 -9.201 1.00 0.00 H
425
+ ATOM 424 HB ILE A 26 13.570 23.518 -10.554 1.00 0.00 H
426
+ ATOM 425 HG12 ILE A 26 13.419 24.080 -8.315 1.00 0.00 H
427
+ ATOM 426 HG13 ILE A 26 12.243 23.091 -8.583 1.00 0.00 H
428
+ ATOM 427 HG21 ILE A 26 12.288 21.535 -10.469 1.00 0.00 H
429
+ ATOM 428 HG22 ILE A 26 13.631 21.265 -11.264 1.00 0.00 H
430
+ ATOM 429 HG23 ILE A 26 13.492 20.787 -9.761 1.00 0.00 H
431
+ ATOM 430 HD11 ILE A 26 13.396 22.421 -6.633 1.00 0.00 H
432
+ ATOM 431 HD12 ILE A 26 13.545 21.294 -7.736 1.00 0.00 H
433
+ ATOM 432 HD13 ILE A 26 14.739 22.299 -7.463 1.00 0.00 H
434
+ ATOM 433 N VAL A 27 16.318 21.242 -11.444 1.00 0.00 N
435
+ ATOM 434 CA VAL A 27 16.910 20.914 -12.772 1.00 0.00 C
436
+ ATOM 435 C VAL A 27 15.838 20.304 -13.672 1.00 0.00 C
437
+ ATOM 436 O VAL A 27 15.611 20.752 -14.778 1.00 0.00 O
438
+ ATOM 437 CB VAL A 27 18.051 19.913 -12.588 1.00 0.00 C
439
+ ATOM 438 CG1 VAL A 27 18.516 19.413 -13.957 1.00 0.00 C
440
+ ATOM 439 CG2 VAL A 27 19.219 20.595 -11.871 1.00 0.00 C
441
+ ATOM 440 H VAL A 27 16.262 20.583 -10.895 1.00 0.00 H
442
+ ATOM 441 HA VAL A 27 17.253 21.724 -13.182 1.00 0.00 H
443
+ ATOM 442 HB VAL A 27 17.740 19.163 -12.058 1.00 0.00 H
444
+ ATOM 443 HG11 VAL A 27 19.240 18.778 -13.841 1.00 0.00 H
445
+ ATOM 444 HG12 VAL A 27 17.777 18.980 -14.412 1.00 0.00 H
446
+ ATOM 445 HG13 VAL A 27 18.827 20.163 -14.487 1.00 0.00 H
447
+ ATOM 446 HG21 VAL A 27 19.943 19.960 -11.754 1.00 0.00 H
448
+ ATOM 447 HG22 VAL A 27 19.530 21.346 -12.401 1.00 0.00 H
449
+ ATOM 448 HG23 VAL A 27 18.925 20.912 -11.003 1.00 0.00 H
450
+ ATOM 449 N ASN A 28 15.177 19.285 -13.204 1.00 0.00 N
451
+ ATOM 450 CA ASN A 28 14.116 18.640 -14.029 1.00 0.00 C
452
+ ATOM 451 C ASN A 28 13.183 17.837 -13.121 1.00 0.00 C
453
+ ATOM 452 O ASN A 28 13.051 18.117 -11.947 1.00 0.00 O
454
+ ATOM 453 CB ASN A 28 14.764 17.705 -15.052 1.00 0.00 C
455
+ ATOM 454 CG ASN A 28 13.900 17.650 -16.313 1.00 0.00 C
456
+ ATOM 455 OD1 ASN A 28 13.676 18.657 -16.955 1.00 0.00 O
457
+ ATOM 456 ND2 ASN A 28 13.402 16.507 -16.699 1.00 0.00 N
458
+ ATOM 457 H ASN A 28 15.301 18.934 -12.429 1.00 0.00 H
459
+ ATOM 458 HA ASN A 28 13.606 19.322 -14.493 1.00 0.00 H
460
+ ATOM 459 HB2 ASN A 28 15.655 18.019 -15.272 1.00 0.00 H
461
+ ATOM 460 HB3 ASN A 28 14.861 16.816 -14.676 1.00 0.00 H
462
+ ATOM 461 HD21 ASN A 28 12.916 16.467 -17.407 1.00 0.00 H
463
+ ATOM 462 HD22 ASN A 28 13.560 15.794 -16.245 1.00 0.00 H
464
+ ATOM 463 N ASN A 29 12.536 16.838 -13.656 1.00 0.00 N
465
+ ATOM 464 CA ASN A 29 11.613 16.016 -12.826 1.00 0.00 C
466
+ ATOM 465 C ASN A 29 10.479 16.894 -12.293 1.00 0.00 C
467
+ ATOM 466 O ASN A 29 10.601 17.524 -11.261 1.00 0.00 O
468
+ ATOM 467 CB ASN A 29 12.384 15.412 -11.651 1.00 0.00 C
469
+ ATOM 468 CG ASN A 29 13.420 14.418 -12.177 1.00 0.00 C
470
+ ATOM 469 OD1 ASN A 29 14.322 14.787 -12.903 1.00 0.00 O
471
+ ATOM 470 ND2 ASN A 29 13.329 13.161 -11.839 1.00 0.00 N
472
+ ATOM 471 H ASN A 29 12.596 16.600 -14.480 1.00 0.00 H
473
+ ATOM 472 HA ASN A 29 11.240 15.305 -13.370 1.00 0.00 H
474
+ ATOM 473 HB2 ASN A 29 12.823 16.114 -11.145 1.00 0.00 H
475
+ ATOM 474 HB3 ASN A 29 11.772 14.966 -11.045 1.00 0.00 H
476
+ ATOM 475 HD21 ASN A 29 13.907 12.595 -12.130 1.00 0.00 H
477
+ ATOM 476 HD22 ASN A 29 12.691 12.899 -11.325 1.00 0.00 H
478
+ ATOM 477 N THR A 30 9.377 16.940 -12.989 1.00 0.00 N
479
+ ATOM 478 CA THR A 30 8.236 17.777 -12.524 1.00 0.00 C
480
+ ATOM 479 C THR A 30 7.347 16.947 -11.596 1.00 0.00 C
481
+ ATOM 480 O THR A 30 6.559 17.475 -10.837 1.00 0.00 O
482
+ ATOM 481 CB THR A 30 7.420 18.244 -13.731 1.00 0.00 C
483
+ ATOM 482 OG1 THR A 30 6.360 19.081 -13.289 1.00 0.00 O
484
+ ATOM 483 CG2 THR A 30 6.844 17.030 -14.461 1.00 0.00 C
485
+ ATOM 484 H THR A 30 9.242 16.513 -13.723 1.00 0.00 H
486
+ ATOM 485 HA THR A 30 8.573 18.550 -12.045 1.00 0.00 H
487
+ ATOM 486 HB THR A 30 7.993 18.740 -14.336 1.00 0.00 H
488
+ ATOM 487 HG1 THR A 30 6.082 18.811 -12.544 1.00 0.00 H
489
+ ATOM 488 HG21 THR A 30 6.327 17.327 -15.226 1.00 0.00 H
490
+ ATOM 489 HG22 THR A 30 7.568 16.460 -14.763 1.00 0.00 H
491
+ ATOM 490 HG23 THR A 30 6.271 16.531 -13.858 1.00 0.00 H
492
+ ATOM 491 N GLU A 31 7.468 15.649 -11.653 1.00 0.00 N
493
+ ATOM 492 CA GLU A 31 6.634 14.780 -10.776 1.00 0.00 C
494
+ ATOM 493 C GLU A 31 7.480 13.613 -10.265 1.00 0.00 C
495
+ ATOM 494 O GLU A 31 8.693 13.679 -10.239 1.00 0.00 O
496
+ ATOM 495 CB GLU A 31 5.445 14.240 -11.574 1.00 0.00 C
497
+ ATOM 496 CG GLU A 31 4.141 14.694 -10.915 1.00 0.00 C
498
+ ATOM 497 CD GLU A 31 3.169 15.184 -11.991 1.00 0.00 C
499
+ ATOM 498 OE1 GLU A 31 3.638 15.648 -13.017 1.00 0.00 O
500
+ ATOM 499 OE2 GLU A 31 1.973 15.087 -11.770 1.00 0.00 O
501
+ ATOM 500 H GLU A 31 8.009 15.230 -12.174 1.00 0.00 H
502
+ ATOM 501 HA GLU A 31 6.308 15.297 -10.023 1.00 0.00 H
503
+ ATOM 502 HB2 GLU A 31 5.485 14.560 -12.489 1.00 0.00 H
504
+ ATOM 503 HB3 GLU A 31 5.480 13.271 -11.610 1.00 0.00 H
505
+ ATOM 504 HG2 GLU A 31 3.746 13.960 -10.418 1.00 0.00 H
506
+ ATOM 505 HG3 GLU A 31 4.319 15.404 -10.279 1.00 0.00 H
507
+ ATOM 506 N GLY A 32 6.853 12.544 -9.857 1.00 0.00 N
508
+ ATOM 507 CA GLY A 32 7.624 11.376 -9.348 1.00 0.00 C
509
+ ATOM 508 C GLY A 32 7.869 11.546 -7.848 1.00 0.00 C
510
+ ATOM 509 O GLY A 32 6.953 11.782 -7.084 1.00 0.00 O
511
+ ATOM 510 H GLY A 32 5.998 12.447 -9.855 1.00 0.00 H
512
+ ATOM 511 HA2 GLY A 32 7.135 10.555 -9.515 1.00 0.00 H
513
+ ATOM 512 HA3 GLY A 32 8.469 11.304 -9.818 1.00 0.00 H
514
+ ATOM 513 N ASP A 33 9.095 11.431 -7.417 1.00 0.00 N
515
+ ATOM 514 CA ASP A 33 9.389 11.587 -5.965 1.00 0.00 C
516
+ ATOM 515 C ASP A 33 10.881 11.859 -5.762 1.00 0.00 C
517
+ ATOM 516 O ASP A 33 11.418 11.643 -4.693 1.00 0.00 O
518
+ ATOM 517 CB ASP A 33 9.001 10.304 -5.226 1.00 0.00 C
519
+ ATOM 518 CG ASP A 33 7.847 10.599 -4.266 1.00 0.00 C
520
+ ATOM 519 OD1 ASP A 33 7.844 11.672 -3.686 1.00 0.00 O
521
+ ATOM 520 OD2 ASP A 33 6.985 9.745 -4.128 1.00 0.00 O
522
+ ATOM 521 H ASP A 33 9.777 11.267 -7.914 1.00 0.00 H
523
+ ATOM 522 HA ASP A 33 8.878 12.333 -5.615 1.00 0.00 H
524
+ ATOM 523 HB2 ASP A 33 8.739 9.620 -5.861 1.00 0.00 H
525
+ ATOM 524 HB3 ASP A 33 9.763 9.959 -4.735 1.00 0.00 H
526
+ ATOM 525 N TRP A 34 11.560 12.332 -6.773 1.00 0.00 N
527
+ ATOM 526 CA TRP A 34 13.016 12.612 -6.619 1.00 0.00 C
528
+ ATOM 527 C TRP A 34 13.483 13.574 -7.713 1.00 0.00 C
529
+ ATOM 528 O TRP A 34 13.577 13.217 -8.872 1.00 0.00 O
530
+ ATOM 529 CB TRP A 34 13.798 11.302 -6.716 1.00 0.00 C
531
+ ATOM 530 CG TRP A 34 13.800 10.615 -5.349 1.00 0.00 C
532
+ ATOM 531 CD1 TRP A 34 13.049 9.552 -5.018 1.00 0.00 C
533
+ ATOM 532 CD2 TRP A 34 14.536 10.995 -4.307 1.00 0.00 C
534
+ ATOM 533 NE1 TRP A 34 13.371 9.324 -3.743 1.00 0.00 N
535
+ ATOM 534 CE2 TRP A 34 14.290 10.178 -3.220 1.00 0.00 C
536
+ ATOM 535 CE3 TRP A 34 15.440 12.031 -4.202 1.00 0.00 C
537
+ ATOM 536 CZ2 TRP A 34 14.950 10.400 -2.029 1.00 0.00 C
538
+ ATOM 537 CZ3 TRP A 34 16.100 12.253 -3.011 1.00 0.00 C
539
+ ATOM 538 CH2 TRP A 34 15.855 11.437 -1.924 1.00 0.00 C
540
+ ATOM 539 H TRP A 34 11.232 12.504 -7.549 1.00 0.00 H
541
+ ATOM 540 HA TRP A 34 13.173 13.020 -5.753 1.00 0.00 H
542
+ ATOM 541 HB2 TRP A 34 13.396 10.721 -7.381 1.00 0.00 H
543
+ ATOM 542 HB3 TRP A 34 14.708 11.476 -7.004 1.00 0.00 H
544
+ ATOM 543 HD1 TRP A 34 12.447 9.085 -5.551 1.00 0.00 H
545
+ ATOM 544 HE1 TRP A 34 13.023 8.684 -3.286 1.00 0.00 H
546
+ ATOM 545 HE3 TRP A 34 15.605 12.580 -4.934 1.00 0.00 H
547
+ ATOM 546 HZ2 TRP A 34 14.785 9.851 -1.297 1.00 0.00 H
548
+ ATOM 547 HZ3 TRP A 34 16.710 12.952 -2.940 1.00 0.00 H
549
+ ATOM 548 HH2 TRP A 34 16.300 11.586 -1.121 1.00 0.00 H
550
+ ATOM 549 N TRP A 35 13.778 14.795 -7.354 1.00 0.00 N
551
+ ATOM 550 CA TRP A 35 14.242 15.785 -8.368 1.00 0.00 C
552
+ ATOM 551 C TRP A 35 15.715 16.121 -8.119 1.00 0.00 C
553
+ ATOM 552 O TRP A 35 16.246 15.877 -7.053 1.00 0.00 O
554
+ ATOM 553 CB TRP A 35 13.414 17.067 -8.251 1.00 0.00 C
555
+ ATOM 554 CG TRP A 35 11.925 16.724 -8.210 1.00 0.00 C
556
+ ATOM 555 CD1 TRP A 35 11.375 15.608 -8.715 1.00 0.00 C
557
+ ATOM 556 CD2 TRP A 35 10.980 17.502 -7.689 1.00 0.00 C
558
+ ATOM 557 NE1 TRP A 35 10.071 15.764 -8.473 1.00 0.00 N
559
+ ATOM 558 CE2 TRP A 35 9.738 16.917 -7.836 1.00 0.00 C
560
+ ATOM 559 CE3 TRP A 35 11.098 18.726 -7.062 1.00 0.00 C
561
+ ATOM 560 CZ2 TRP A 35 8.614 17.558 -7.356 1.00 0.00 C
562
+ ATOM 561 CZ3 TRP A 35 9.974 19.365 -6.580 1.00 0.00 C
563
+ ATOM 562 CH2 TRP A 35 8.732 18.783 -6.728 1.00 0.00 C
564
+ ATOM 563 H TRP A 35 13.727 15.094 -6.549 1.00 0.00 H
565
+ ATOM 564 HA TRP A 35 14.136 15.406 -9.255 1.00 0.00 H
566
+ ATOM 565 HB2 TRP A 35 13.665 17.551 -7.449 1.00 0.00 H
567
+ ATOM 566 HB3 TRP A 35 13.599 17.650 -9.004 1.00 0.00 H
568
+ ATOM 567 HD1 TRP A 35 11.801 14.895 -9.134 1.00 0.00 H
569
+ ATOM 568 HE1 TRP A 35 9.485 15.178 -8.703 1.00 0.00 H
570
+ ATOM 569 HE3 TRP A 35 11.935 19.120 -6.964 1.00 0.00 H
571
+ ATOM 570 HZ2 TRP A 35 7.777 17.165 -7.455 1.00 0.00 H
572
+ ATOM 571 HZ3 TRP A 35 10.054 20.188 -6.155 1.00 0.00 H
573
+ ATOM 572 HH2 TRP A 35 7.974 19.215 -6.405 1.00 0.00 H
574
+ ATOM 573 N LEU A 36 16.378 16.683 -9.093 1.00 0.00 N
575
+ ATOM 574 CA LEU A 36 17.814 17.036 -8.912 1.00 0.00 C
576
+ ATOM 575 C LEU A 36 17.965 18.557 -8.943 1.00 0.00 C
577
+ ATOM 576 O LEU A 36 17.595 19.205 -9.901 1.00 0.00 O
578
+ ATOM 577 CB LEU A 36 18.641 16.416 -10.041 1.00 0.00 C
579
+ ATOM 578 CG LEU A 36 20.095 16.876 -9.921 1.00 0.00 C
580
+ ATOM 579 CD1 LEU A 36 20.833 15.988 -8.919 1.00 0.00 C
581
+ ATOM 580 CD2 LEU A 36 20.776 16.774 -11.286 1.00 0.00 C
582
+ ATOM 581 H LEU A 36 16.048 16.877 -9.863 1.00 0.00 H
583
+ ATOM 582 HA LEU A 36 18.129 16.694 -8.060 1.00 0.00 H
584
+ ATOM 583 HB2 LEU A 36 18.593 15.448 -9.996 1.00 0.00 H
585
+ ATOM 584 HB3 LEU A 36 18.279 16.678 -10.902 1.00 0.00 H
586
+ ATOM 585 HG LEU A 36 20.117 17.796 -9.615 1.00 0.00 H
587
+ ATOM 586 HD11 LEU A 36 21.755 16.281 -8.844 1.00 0.00 H
588
+ ATOM 587 HD12 LEU A 36 20.403 16.051 -8.052 1.00 0.00 H
589
+ ATOM 588 HD13 LEU A 36 20.811 15.068 -9.224 1.00 0.00 H
590
+ ATOM 589 HD21 LEU A 36 21.698 17.066 -11.210 1.00 0.00 H
591
+ ATOM 590 HD22 LEU A 36 20.752 15.854 -11.592 1.00 0.00 H
592
+ ATOM 591 HD23 LEU A 36 20.310 17.338 -11.923 1.00 0.00 H
593
+ ATOM 592 N ALA A 37 18.505 19.135 -7.905 1.00 0.00 N
594
+ ATOM 593 CA ALA A 37 18.673 20.615 -7.888 1.00 0.00 C
595
+ ATOM 594 C ALA A 37 20.153 20.967 -7.722 1.00 0.00 C
596
+ ATOM 595 O ALA A 37 20.943 20.178 -7.241 1.00 0.00 O
597
+ ATOM 596 CB ALA A 37 17.876 21.204 -6.723 1.00 0.00 C
598
+ ATOM 597 H ALA A 37 18.784 18.725 -7.202 1.00 0.00 H
599
+ ATOM 598 HA ALA A 37 18.348 20.984 -8.724 1.00 0.00 H
600
+ ATOM 599 HB1 ALA A 37 17.985 22.168 -6.711 1.00 0.00 H
601
+ ATOM 600 HB2 ALA A 37 16.937 20.986 -6.830 1.00 0.00 H
602
+ ATOM 601 HB3 ALA A 37 18.200 20.832 -5.888 1.00 0.00 H
603
+ ATOM 602 N HIS A 38 20.531 22.151 -8.118 1.00 0.00 N
604
+ ATOM 603 CA HIS A 38 21.956 22.567 -7.989 1.00 0.00 C
605
+ ATOM 604 C HIS A 38 22.057 23.676 -6.934 1.00 0.00 C
606
+ ATOM 605 O HIS A 38 21.498 24.745 -7.086 1.00 0.00 O
607
+ ATOM 606 CB HIS A 38 22.455 23.067 -9.358 1.00 0.00 C
608
+ ATOM 607 CG HIS A 38 23.526 24.151 -9.188 1.00 0.00 C
609
+ ATOM 608 ND1 HIS A 38 24.766 23.993 -9.399 1.00 0.00 N
610
+ ATOM 609 CD2 HIS A 38 23.397 25.472 -8.801 1.00 0.00 C
611
+ ATOM 610 CE1 HIS A 38 25.404 25.081 -9.180 1.00 0.00 C
612
+ ATOM 611 NE2 HIS A 38 24.604 26.061 -8.797 1.00 0.00 N
613
+ ATOM 612 H HIS A 38 20.009 22.741 -8.463 1.00 0.00 H
614
+ ATOM 613 HA HIS A 38 22.507 21.819 -7.709 1.00 0.00 H
615
+ ATOM 614 HB2 HIS A 38 22.819 22.324 -9.865 1.00 0.00 H
616
+ ATOM 615 HB3 HIS A 38 21.710 23.421 -9.869 1.00 0.00 H
617
+ ATOM 616 HD1 HIS A 38 25.129 23.256 -9.654 1.00 0.00 H
618
+ ATOM 617 HD2 HIS A 38 22.596 25.889 -8.578 1.00 0.00 H
619
+ ATOM 618 HE1 HIS A 38 26.324 25.171 -9.279 1.00 0.00 H
620
+ ATOM 619 HE2 HIS A 38 24.806 26.872 -8.596 1.00 0.00 H
621
+ ATOM 620 N SER A 39 22.766 23.426 -5.867 1.00 0.00 N
622
+ ATOM 621 CA SER A 39 22.903 24.460 -4.802 1.00 0.00 C
623
+ ATOM 622 C SER A 39 23.539 25.722 -5.393 1.00 0.00 C
624
+ ATOM 623 O SER A 39 24.271 25.664 -6.362 1.00 0.00 O
625
+ ATOM 624 CB SER A 39 23.792 23.920 -3.681 1.00 0.00 C
626
+ ATOM 625 OG SER A 39 23.129 22.847 -3.028 1.00 0.00 O
627
+ ATOM 626 H SER A 39 23.180 22.687 -5.715 1.00 0.00 H
628
+ ATOM 627 HA SER A 39 22.027 24.676 -4.446 1.00 0.00 H
629
+ ATOM 628 HB2 SER A 39 24.639 23.617 -4.044 1.00 0.00 H
630
+ ATOM 629 HB3 SER A 39 23.992 24.625 -3.045 1.00 0.00 H
631
+ ATOM 630 HG SER A 39 23.617 22.549 -2.413 1.00 0.00 H
632
+ ATOM 631 N LEU A 40 23.266 26.860 -4.817 1.00 0.00 N
633
+ ATOM 632 CA LEU A 40 23.854 28.122 -5.345 1.00 0.00 C
634
+ ATOM 633 C LEU A 40 25.008 28.563 -4.441 1.00 0.00 C
635
+ ATOM 634 O LEU A 40 25.426 29.704 -4.464 1.00 0.00 O
636
+ ATOM 635 CB LEU A 40 22.780 29.213 -5.373 1.00 0.00 C
637
+ ATOM 636 CG LEU A 40 21.608 28.752 -6.242 1.00 0.00 C
638
+ ATOM 637 CD1 LEU A 40 20.469 29.768 -6.140 1.00 0.00 C
639
+ ATOM 638 CD2 LEU A 40 22.065 28.639 -7.697 1.00 0.00 C
640
+ ATOM 639 H LEU A 40 22.756 26.953 -4.131 1.00 0.00 H
641
+ ATOM 640 HA LEU A 40 24.186 27.974 -6.244 1.00 0.00 H
642
+ ATOM 641 HB2 LEU A 40 22.473 29.402 -4.472 1.00 0.00 H
643
+ ATOM 642 HB3 LEU A 40 23.151 30.037 -5.724 1.00 0.00 H
644
+ ATOM 643 HG LEU A 40 21.297 27.886 -5.934 1.00 0.00 H
645
+ ATOM 644 HD11 LEU A 40 19.725 29.477 -6.691 1.00 0.00 H
646
+ ATOM 645 HD12 LEU A 40 20.179 29.838 -5.217 1.00 0.00 H
647
+ ATOM 646 HD13 LEU A 40 20.779 30.634 -6.448 1.00 0.00 H
648
+ ATOM 647 HD21 LEU A 40 21.322 28.347 -8.248 1.00 0.00 H
649
+ ATOM 648 HD22 LEU A 40 22.376 29.504 -8.007 1.00 0.00 H
650
+ ATOM 649 HD23 LEU A 40 22.787 27.994 -7.760 1.00 0.00 H
651
+ ATOM 650 N THR A 41 25.525 27.667 -3.646 1.00 0.00 N
652
+ ATOM 651 CA THR A 41 26.651 28.034 -2.741 1.00 0.00 C
653
+ ATOM 652 C THR A 41 27.972 27.547 -3.343 1.00 0.00 C
654
+ ATOM 653 O THR A 41 28.713 28.308 -3.932 1.00 0.00 O
655
+ ATOM 654 CB THR A 41 26.441 27.375 -1.374 1.00 0.00 C
656
+ ATOM 655 OG1 THR A 41 25.193 26.698 -1.364 1.00 0.00 O
657
+ ATOM 656 CG2 THR A 41 26.454 28.446 -0.284 1.00 0.00 C
658
+ ATOM 657 H THR A 41 25.265 26.849 -3.594 1.00 0.00 H
659
+ ATOM 658 HA THR A 41 26.680 28.998 -2.636 1.00 0.00 H
660
+ ATOM 659 HB THR A 41 27.154 26.739 -1.207 1.00 0.00 H
661
+ ATOM 660 HG1 THR A 41 25.026 26.429 -0.586 1.00 0.00 H
662
+ ATOM 661 HG21 THR A 41 26.321 28.029 0.582 1.00 0.00 H
663
+ ATOM 662 HG22 THR A 41 27.308 28.907 -0.293 1.00 0.00 H
664
+ ATOM 663 HG23 THR A 41 25.742 29.084 -0.448 1.00 0.00 H
665
+ ATOM 664 N THR A 42 28.271 26.285 -3.200 1.00 0.00 N
666
+ ATOM 665 CA THR A 42 29.544 25.754 -3.765 1.00 0.00 C
667
+ ATOM 666 C THR A 42 29.352 25.451 -5.252 1.00 0.00 C
668
+ ATOM 667 O THR A 42 30.298 25.201 -5.972 1.00 0.00 O
669
+ ATOM 668 CB THR A 42 29.934 24.471 -3.030 1.00 0.00 C
670
+ ATOM 669 OG1 THR A 42 28.870 23.535 -3.119 1.00 0.00 O
671
+ ATOM 670 CG2 THR A 42 30.216 24.788 -1.561 1.00 0.00 C
672
+ ATOM 671 H THR A 42 27.781 25.707 -2.793 1.00 0.00 H
673
+ ATOM 672 HA THR A 42 30.246 26.414 -3.656 1.00 0.00 H
674
+ ATOM 673 HB THR A 42 30.731 24.095 -3.436 1.00 0.00 H
675
+ ATOM 674 HG1 THR A 42 29.122 22.794 -2.814 1.00 0.00 H
676
+ ATOM 675 HG21 THR A 42 30.463 23.974 -1.096 1.00 0.00 H
677
+ ATOM 676 HG22 THR A 42 30.943 25.427 -1.502 1.00 0.00 H
678
+ ATOM 677 HG23 THR A 42 29.421 25.164 -1.153 1.00 0.00 H
679
+ ATOM 678 N GLY A 43 28.133 25.470 -5.716 1.00 0.00 N
680
+ ATOM 679 CA GLY A 43 27.881 25.182 -7.155 1.00 0.00 C
681
+ ATOM 680 C GLY A 43 28.050 23.683 -7.412 1.00 0.00 C
682
+ ATOM 681 O GLY A 43 28.727 23.275 -8.334 1.00 0.00 O
683
+ ATOM 682 H GLY A 43 27.432 25.641 -5.248 1.00 0.00 H
684
+ ATOM 683 HA2 GLY A 43 26.985 25.463 -7.399 1.00 0.00 H
685
+ ATOM 684 HA3 GLY A 43 28.497 25.687 -7.709 1.00 0.00 H
686
+ ATOM 685 N GLN A 44 27.442 22.861 -6.602 1.00 0.00 N
687
+ ATOM 686 CA GLN A 44 27.569 21.390 -6.800 1.00 0.00 C
688
+ ATOM 687 C GLN A 44 26.190 20.789 -7.079 1.00 0.00 C
689
+ ATOM 688 O GLN A 44 25.198 21.489 -7.136 1.00 0.00 O
690
+ ATOM 689 CB GLN A 44 28.153 20.753 -5.536 1.00 0.00 C
691
+ ATOM 690 CG GLN A 44 29.620 21.162 -5.387 1.00 0.00 C
692
+ ATOM 691 CD GLN A 44 30.518 19.962 -5.696 1.00 0.00 C
693
+ ATOM 692 OE1 GLN A 44 31.088 19.875 -6.766 1.00 0.00 O
694
+ ATOM 693 NE2 GLN A 44 30.668 19.028 -4.799 1.00 0.00 N
695
+ ATOM 694 H GLN A 44 26.954 23.100 -5.936 1.00 0.00 H
696
+ ATOM 695 HA GLN A 44 28.156 21.217 -7.553 1.00 0.00 H
697
+ ATOM 696 HB2 GLN A 44 27.648 21.035 -4.757 1.00 0.00 H
698
+ ATOM 697 HB3 GLN A 44 28.080 19.787 -5.586 1.00 0.00 H
699
+ ATOM 698 HG2 GLN A 44 29.824 21.895 -5.989 1.00 0.00 H
700
+ ATOM 699 HG3 GLN A 44 29.787 21.480 -4.486 1.00 0.00 H
701
+ ATOM 700 HE21 GLN A 44 30.265 19.090 -4.042 1.00 0.00 H
702
+ ATOM 701 HE22 GLN A 44 31.170 18.350 -4.964 1.00 0.00 H
703
+ ATOM 702 N THR A 45 26.119 19.499 -7.253 1.00 0.00 N
704
+ ATOM 703 CA THR A 45 24.804 18.855 -7.528 1.00 0.00 C
705
+ ATOM 704 C THR A 45 24.177 18.404 -6.207 1.00 0.00 C
706
+ ATOM 705 O THR A 45 24.859 18.228 -5.217 1.00 0.00 O
707
+ ATOM 706 CB THR A 45 25.011 17.639 -8.434 1.00 0.00 C
708
+ ATOM 707 OG1 THR A 45 25.942 17.966 -9.456 1.00 0.00 O
709
+ ATOM 708 CG2 THR A 45 23.677 17.233 -9.064 1.00 0.00 C
710
+ ATOM 709 H THR A 45 26.790 18.962 -7.222 1.00 0.00 H
711
+ ATOM 710 HA THR A 45 24.217 19.489 -7.968 1.00 0.00 H
712
+ ATOM 711 HB THR A 45 25.354 16.899 -7.909 1.00 0.00 H
713
+ ATOM 712 HG1 THR A 45 25.956 17.352 -10.030 1.00 0.00 H
714
+ ATOM 713 HG21 THR A 45 23.811 16.462 -9.638 1.00 0.00 H
715
+ ATOM 714 HG22 THR A 45 23.044 17.009 -8.365 1.00 0.00 H
716
+ ATOM 715 HG23 THR A 45 23.330 17.970 -9.590 1.00 0.00 H
717
+ ATOM 716 N GLY A 46 22.886 18.216 -6.181 1.00 0.00 N
718
+ ATOM 717 CA GLY A 46 22.231 17.777 -4.917 1.00 0.00 C
719
+ ATOM 718 C GLY A 46 20.857 17.178 -5.222 1.00 0.00 C
720
+ ATOM 719 O GLY A 46 19.855 17.865 -5.220 1.00 0.00 O
721
+ ATOM 720 H GLY A 46 22.358 18.326 -6.851 1.00 0.00 H
722
+ ATOM 721 HA2 GLY A 46 22.786 17.121 -4.467 1.00 0.00 H
723
+ ATOM 722 HA3 GLY A 46 22.137 18.531 -4.314 1.00 0.00 H
724
+ ATOM 723 N TYR A 47 20.803 15.902 -5.488 1.00 0.00 N
725
+ ATOM 724 CA TYR A 47 19.499 15.258 -5.789 1.00 0.00 C
726
+ ATOM 725 C TYR A 47 18.526 15.538 -4.643 1.00 0.00 C
727
+ ATOM 726 O TYR A 47 18.543 14.874 -3.627 1.00 0.00 O
728
+ ATOM 727 CB TYR A 47 19.706 13.749 -5.927 1.00 0.00 C
729
+ ATOM 728 CG TYR A 47 20.338 13.438 -7.285 1.00 0.00 C
730
+ ATOM 729 CD1 TYR A 47 19.550 13.292 -8.409 1.00 0.00 C
731
+ ATOM 730 CD2 TYR A 47 21.705 13.295 -7.405 1.00 0.00 C
732
+ ATOM 731 CE1 TYR A 47 20.121 13.008 -9.632 1.00 0.00 C
733
+ ATOM 732 CE2 TYR A 47 22.275 13.011 -8.629 1.00 0.00 C
734
+ ATOM 733 CZ TYR A 47 21.487 12.865 -9.752 1.00 0.00 C
735
+ ATOM 734 OH TYR A 47 22.058 12.579 -10.975 1.00 0.00 O
736
+ ATOM 735 H TYR A 47 21.483 15.376 -5.506 1.00 0.00 H
737
+ ATOM 736 HA TYR A 47 19.137 15.613 -6.616 1.00 0.00 H
738
+ ATOM 737 HB2 TYR A 47 20.277 13.425 -5.213 1.00 0.00 H
739
+ ATOM 738 HB3 TYR A 47 18.857 13.288 -5.842 1.00 0.00 H
740
+ ATOM 739 HD1 TYR A 47 18.627 13.386 -8.341 1.00 0.00 H
741
+ ATOM 740 HD2 TYR A 47 22.246 13.391 -6.655 1.00 0.00 H
742
+ ATOM 741 HE1 TYR A 47 19.580 12.912 -10.382 1.00 0.00 H
743
+ ATOM 742 HE2 TYR A 47 23.198 12.917 -8.698 1.00 0.00 H
744
+ ATOM 743 HH TYR A 47 21.470 12.613 -11.574 1.00 0.00 H
745
+ ATOM 744 N ILE A 48 17.677 16.516 -4.798 1.00 0.00 N
746
+ ATOM 745 CA ILE A 48 16.708 16.832 -3.713 1.00 0.00 C
747
+ ATOM 746 C ILE A 48 15.424 16.021 -3.930 1.00 0.00 C
748
+ ATOM 747 O ILE A 48 14.865 16.039 -5.006 1.00 0.00 O
749
+ ATOM 748 CB ILE A 48 16.378 18.324 -3.738 1.00 0.00 C
750
+ ATOM 749 CG1 ILE A 48 15.696 18.674 -5.062 1.00 0.00 C
751
+ ATOM 750 CG2 ILE A 48 17.670 19.133 -3.605 1.00 0.00 C
752
+ ATOM 751 CD1 ILE A 48 14.192 18.832 -4.835 1.00 0.00 C
753
+ ATOM 752 H ILE A 48 17.623 17.015 -5.496 1.00 0.00 H
754
+ ATOM 753 HA ILE A 48 17.097 16.604 -2.854 1.00 0.00 H
755
+ ATOM 754 HB ILE A 48 15.784 18.536 -3.001 1.00 0.00 H
756
+ ATOM 755 HG12 ILE A 48 16.067 19.495 -5.421 1.00 0.00 H
757
+ ATOM 756 HG13 ILE A 48 15.863 17.978 -5.717 1.00 0.00 H
758
+ ATOM 757 HG21 ILE A 48 17.462 20.080 -3.621 1.00 0.00 H
759
+ ATOM 758 HG22 ILE A 48 18.106 18.912 -2.767 1.00 0.00 H
760
+ ATOM 759 HG23 ILE A 48 18.263 18.920 -4.343 1.00 0.00 H
761
+ ATOM 760 HD11 ILE A 48 13.759 19.054 -5.674 1.00 0.00 H
762
+ ATOM 761 HD12 ILE A 48 13.827 18.001 -4.493 1.00 0.00 H
763
+ ATOM 762 HD13 ILE A 48 14.034 19.542 -4.193 1.00 0.00 H
764
+ ATOM 763 N PRO A 49 14.989 15.337 -2.899 1.00 0.00 N
765
+ ATOM 764 CA PRO A 49 13.768 14.512 -2.964 1.00 0.00 C
766
+ ATOM 765 C PRO A 49 12.556 15.370 -3.332 1.00 0.00 C
767
+ ATOM 766 O PRO A 49 12.360 16.441 -2.795 1.00 0.00 O
768
+ ATOM 767 CB PRO A 49 13.599 13.948 -1.547 1.00 0.00 C
769
+ ATOM 768 CG PRO A 49 14.807 14.428 -0.702 1.00 0.00 C
770
+ ATOM 769 CD PRO A 49 15.670 15.333 -1.592 1.00 0.00 C
771
+ ATOM 770 HA PRO A 49 13.837 13.816 -3.636 1.00 0.00 H
772
+ ATOM 771 HB2 PRO A 49 12.766 14.255 -1.156 1.00 0.00 H
773
+ ATOM 772 HB3 PRO A 49 13.562 12.979 -1.568 1.00 0.00 H
774
+ ATOM 773 HG2 PRO A 49 14.503 14.912 0.082 1.00 0.00 H
775
+ ATOM 774 HG3 PRO A 49 15.323 13.670 -0.385 1.00 0.00 H
776
+ ATOM 775 HD2 PRO A 49 15.734 16.229 -1.226 1.00 0.00 H
777
+ ATOM 776 HD3 PRO A 49 16.575 14.992 -1.668 1.00 0.00 H
778
+ ATOM 777 N SER A 50 11.743 14.912 -4.246 1.00 0.00 N
779
+ ATOM 778 CA SER A 50 10.550 15.711 -4.633 1.00 0.00 C
780
+ ATOM 779 C SER A 50 9.871 16.194 -3.355 1.00 0.00 C
781
+ ATOM 780 O SER A 50 9.286 17.259 -3.306 1.00 0.00 O
782
+ ATOM 781 CB SER A 50 9.581 14.839 -5.432 1.00 0.00 C
783
+ ATOM 782 OG SER A 50 8.641 14.244 -4.549 1.00 0.00 O
784
+ ATOM 783 H SER A 50 11.837 14.164 -4.660 1.00 0.00 H
785
+ ATOM 784 HA SER A 50 10.814 16.466 -5.182 1.00 0.00 H
786
+ ATOM 785 HB2 SER A 50 9.121 15.375 -6.096 1.00 0.00 H
787
+ ATOM 786 HB3 SER A 50 10.069 14.151 -5.911 1.00 0.00 H
788
+ ATOM 787 HG SER A 50 7.906 14.150 -4.944 1.00 0.00 H
789
+ ATOM 788 N ASN A 51 9.949 15.408 -2.316 1.00 0.00 N
790
+ ATOM 789 CA ASN A 51 9.317 15.799 -1.029 1.00 0.00 C
791
+ ATOM 790 C ASN A 51 10.392 16.405 -0.125 1.00 0.00 C
792
+ ATOM 791 O ASN A 51 11.497 15.913 -0.068 1.00 0.00 O
793
+ ATOM 792 CB ASN A 51 8.710 14.566 -0.356 1.00 0.00 C
794
+ ATOM 793 CG ASN A 51 7.202 14.765 -0.198 1.00 0.00 C
795
+ ATOM 794 OD1 ASN A 51 6.745 15.258 0.815 1.00 0.00 O
796
+ ATOM 795 ND2 ASN A 51 6.402 14.400 -1.163 1.00 0.00 N
797
+ ATOM 796 H ASN A 51 10.352 14.648 -2.307 1.00 0.00 H
798
+ ATOM 797 HA ASN A 51 8.613 16.447 -1.188 1.00 0.00 H
799
+ ATOM 798 HB2 ASN A 51 8.888 13.774 -0.888 1.00 0.00 H
800
+ ATOM 799 HB3 ASN A 51 9.120 14.424 0.511 1.00 0.00 H
801
+ ATOM 800 HD21 ASN A 51 5.553 14.508 -1.082 1.00 0.00 H
802
+ ATOM 801 HD22 ASN A 51 6.724 14.051 -1.880 1.00 0.00 H
803
+ ATOM 802 N TYR A 52 10.047 17.473 0.557 1.00 0.00 N
804
+ ATOM 803 CA TYR A 52 10.984 18.192 1.492 1.00 0.00 C
805
+ ATOM 804 C TYR A 52 11.271 19.582 0.919 1.00 0.00 C
806
+ ATOM 805 O TYR A 52 11.988 20.368 1.505 1.00 0.00 O
807
+ ATOM 806 CB TYR A 52 12.314 17.448 1.683 1.00 0.00 C
808
+ ATOM 807 CG TYR A 52 12.075 16.110 2.394 1.00 0.00 C
809
+ ATOM 808 CD1 TYR A 52 10.883 15.857 3.040 1.00 0.00 C
810
+ ATOM 809 CD2 TYR A 52 13.057 15.138 2.401 1.00 0.00 C
811
+ ATOM 810 CE1 TYR A 52 10.675 14.654 3.684 1.00 0.00 C
812
+ ATOM 811 CE2 TYR A 52 12.848 13.935 3.044 1.00 0.00 C
813
+ ATOM 812 CZ TYR A 52 11.657 13.684 3.690 1.00 0.00 C
814
+ ATOM 813 OH TYR A 52 11.453 12.484 4.340 1.00 0.00 O
815
+ ATOM 814 H TYR A 52 9.265 17.828 0.512 1.00 0.00 H
816
+ ATOM 815 HA TYR A 52 10.554 18.245 2.360 1.00 0.00 H
817
+ ATOM 816 HB2 TYR A 52 12.733 17.294 0.822 1.00 0.00 H
818
+ ATOM 817 HB3 TYR A 52 12.926 17.993 2.202 1.00 0.00 H
819
+ ATOM 818 HD1 TYR A 52 10.214 16.503 3.042 1.00 0.00 H
820
+ ATOM 819 HD2 TYR A 52 13.865 15.296 1.969 1.00 0.00 H
821
+ ATOM 820 HE1 TYR A 52 9.867 14.496 4.117 1.00 0.00 H
822
+ ATOM 821 HE2 TYR A 52 13.516 13.288 3.041 1.00 0.00 H
823
+ ATOM 822 HH TYR A 52 10.670 12.458 4.642 1.00 0.00 H
824
+ ATOM 823 N VAL A 53 10.710 19.890 -0.223 1.00 0.00 N
825
+ ATOM 824 CA VAL A 53 10.945 21.225 -0.840 1.00 0.00 C
826
+ ATOM 825 C VAL A 53 9.632 21.745 -1.428 1.00 0.00 C
827
+ ATOM 826 O VAL A 53 8.666 21.019 -1.559 1.00 0.00 O
828
+ ATOM 827 CB VAL A 53 11.999 21.100 -1.948 1.00 0.00 C
829
+ ATOM 828 CG1 VAL A 53 11.755 19.822 -2.753 1.00 0.00 C
830
+ ATOM 829 CG2 VAL A 53 11.927 22.306 -2.888 1.00 0.00 C
831
+ ATOM 830 H VAL A 53 10.194 19.368 -0.671 1.00 0.00 H
832
+ ATOM 831 HA VAL A 53 11.265 21.845 -0.167 1.00 0.00 H
833
+ ATOM 832 HB VAL A 53 12.877 21.067 -1.537 1.00 0.00 H
834
+ ATOM 833 HG11 VAL A 53 12.423 19.747 -3.452 1.00 0.00 H
835
+ ATOM 834 HG12 VAL A 53 11.815 19.053 -2.165 1.00 0.00 H
836
+ ATOM 835 HG13 VAL A 53 10.872 19.855 -3.153 1.00 0.00 H
837
+ ATOM 836 HG21 VAL A 53 12.597 22.215 -3.583 1.00 0.00 H
838
+ ATOM 837 HG22 VAL A 53 11.046 22.349 -3.292 1.00 0.00 H
839
+ ATOM 838 HG23 VAL A 53 12.092 23.119 -2.385 1.00 0.00 H
840
+ ATOM 839 N ALA A 54 9.592 22.996 -1.783 1.00 0.00 N
841
+ ATOM 840 CA ALA A 54 8.346 23.570 -2.363 1.00 0.00 C
842
+ ATOM 841 C ALA A 54 8.681 24.875 -3.095 1.00 0.00 C
843
+ ATOM 842 O ALA A 54 9.467 25.665 -2.612 1.00 0.00 O
844
+ ATOM 843 CB ALA A 54 7.345 23.856 -1.243 1.00 0.00 C
845
+ ATOM 844 H ALA A 54 10.248 23.547 -1.710 1.00 0.00 H
846
+ ATOM 845 HA ALA A 54 7.958 22.937 -2.988 1.00 0.00 H
847
+ ATOM 846 HB1 ALA A 54 6.534 24.230 -1.621 1.00 0.00 H
848
+ ATOM 847 HB2 ALA A 54 7.134 23.031 -0.779 1.00 0.00 H
849
+ ATOM 848 HB3 ALA A 54 7.731 24.489 -0.618 1.00 0.00 H
850
+ ATOM 849 N PRO A 55 8.074 25.065 -4.241 1.00 0.00 N
851
+ ATOM 850 CA PRO A 55 8.297 26.273 -5.054 1.00 0.00 C
852
+ ATOM 851 C PRO A 55 7.853 27.518 -4.281 1.00 0.00 C
853
+ ATOM 852 O PRO A 55 6.710 27.641 -3.887 1.00 0.00 O
854
+ ATOM 853 CB PRO A 55 7.428 26.075 -6.303 1.00 0.00 C
855
+ ATOM 854 CG PRO A 55 6.683 24.724 -6.149 1.00 0.00 C
856
+ ATOM 855 CD PRO A 55 7.122 24.096 -4.817 1.00 0.00 C
857
+ ATOM 856 HA PRO A 55 9.232 26.399 -5.279 1.00 0.00 H
858
+ ATOM 857 HB2 PRO A 55 6.795 26.804 -6.396 1.00 0.00 H
859
+ ATOM 858 HB3 PRO A 55 7.977 26.072 -7.103 1.00 0.00 H
860
+ ATOM 859 HG2 PRO A 55 5.723 24.862 -6.160 1.00 0.00 H
861
+ ATOM 860 HG3 PRO A 55 6.893 24.133 -6.889 1.00 0.00 H
862
+ ATOM 861 HD2 PRO A 55 6.365 23.954 -4.228 1.00 0.00 H
863
+ ATOM 862 HD3 PRO A 55 7.540 23.232 -4.956 1.00 0.00 H
864
+ ATOM 863 N SER A 56 8.747 28.442 -4.061 1.00 0.00 N
865
+ ATOM 864 CA SER A 56 8.373 29.676 -3.314 1.00 0.00 C
866
+ ATOM 865 C SER A 56 9.454 30.740 -3.511 1.00 0.00 C
867
+ ATOM 866 O SER A 56 9.098 31.898 -3.652 1.00 0.00 O
868
+ ATOM 867 CB SER A 56 8.243 29.348 -1.825 1.00 0.00 C
869
+ ATOM 868 OG SER A 56 9.537 29.209 -1.256 1.00 0.00 O
870
+ ATOM 869 OXT SER A 56 10.620 30.379 -3.516 1.00 0.00 O
871
+ ATOM 870 H SER A 56 9.567 28.403 -4.318 1.00 0.00 H
872
+ ATOM 871 HA SER A 56 7.526 30.012 -3.647 1.00 0.00 H
873
+ ATOM 872 HB2 SER A 56 7.753 30.051 -1.371 1.00 0.00 H
874
+ ATOM 873 HB3 SER A 56 7.738 28.528 -1.707 1.00 0.00 H
875
+ ATOM 874 HG SER A 56 9.469 28.911 -0.474 1.00 0.00 H
876
+ TER 875 SER A 56
877
+ END
1q41/1q41_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
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+ ###
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+
1q41/1q41_ligand.sdf ADDED
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+ M END
73
+ $$$$
1q41/1q41_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1q41/1q41_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qbt/1qbt_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
3
+ ###
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+ $$$$
1qbt/1qbt_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qbt/1qbt_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1szm/1szm_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff