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THU-ATOM
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PDBbind

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linbc20 commited on
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1 Parent(s): 5ca0e71

Add batch 184

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  1. 1d4l/1d4l_ligand.mol2 +200 -0
  2. 1d4l/1d4l_ligand.sdf +190 -0
  3. 1d4l/1d4l_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1d4l/1d4l_protein_processed_fix.pdb +0 -0
  5. 1h1q/1h1q_protein_esmfold_aligned_tr_fix.pdb +0 -0
  6. 1h1q/1h1q_protein_processed_fix.pdb +0 -0
  7. 1h26/1h26_ligand.mol2 +371 -0
  8. 1h26/1h26_ligand.sdf +359 -0
  9. 1h26/1h26_protein_esmfold_aligned_tr_fix.pdb +0 -0
  10. 1h26/1h26_protein_processed_fix.pdb +0 -0
  11. 1h6e/1h6e_ligand.mol2 +334 -0
  12. 1h6e/1h6e_ligand.sdf +326 -0
  13. 1h6e/1h6e_protein_esmfold_aligned_tr_fix.pdb +0 -0
  14. 1h6e/1h6e_protein_processed_fix.pdb +0 -0
  15. 1hte/1hte_ligand.mol2 +134 -0
  16. 1hte/1hte_ligand.sdf +126 -0
  17. 1hte/1hte_protein_esmfold_aligned_tr_fix.pdb +0 -0
  18. 1hte/1hte_protein_processed_fix.pdb +0 -0
  19. 1j01/1j01_ligand.mol2 +87 -0
  20. 1j01/1j01_ligand.sdf +77 -0
  21. 1j01/1j01_protein_esmfold_aligned_tr_fix.pdb +0 -0
  22. 1j01/1j01_protein_processed_fix.pdb +0 -0
  23. 1j17/1j17_ligand.mol2 +142 -0
  24. 1j17/1j17_ligand.sdf +132 -0
  25. 1j17/1j17_protein_esmfold_aligned_tr_fix.pdb +0 -0
  26. 1j17/1j17_protein_processed_fix.pdb +0 -0
  27. 1k1o/1k1o_ligand.mol2 +157 -0
  28. 1k1o/1k1o_ligand.sdf +147 -0
  29. 1k1o/1k1o_protein_esmfold_aligned_tr_fix.pdb +0 -0
  30. 1k1o/1k1o_protein_processed_fix.pdb +0 -0
  31. 1l5q/1l5q_ligand.mol2 +65 -0
  32. 1l5q/1l5q_ligand.sdf +55 -0
  33. 1l5q/1l5q_protein_esmfold_aligned_tr_fix.pdb +0 -0
  34. 1l5q/1l5q_protein_processed_fix.pdb +0 -0
  35. 1ong/1ong_ligand.mol2 +84 -0
  36. 1ong/1ong_ligand.sdf +76 -0
  37. 1ong/1ong_protein_esmfold_aligned_tr_fix.pdb +0 -0
  38. 1ong/1ong_protein_processed_fix.pdb +0 -0
  39. 1py1/1py1_ligand.mol2 +255 -0
  40. 1py1/1py1_ligand.sdf +255 -0
  41. 1py1/1py1_protein_esmfold_aligned_tr_fix.pdb +0 -0
  42. 1py1/1py1_protein_processed_fix.pdb +0 -0
  43. 1uj0/1uj0_ligand.mol2 +324 -0
  44. 1uj0/1uj0_ligand.sdf +314 -0
  45. 1uj0/1uj0_protein_esmfold_aligned_tr_fix.pdb +477 -0
  46. 1uj0/1uj0_protein_processed_fix.pdb +912 -0
  47. 1uyc/1uyc_ligand.mol2 +114 -0
  48. 1uyc/1uyc_ligand.sdf +104 -0
  49. 1uyc/1uyc_protein_esmfold_aligned_tr_fix.pdb +0 -0
  50. 1uyc/1uyc_protein_processed_fix.pdb +0 -0
1d4l/1d4l_ligand.mol2 ADDED
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+ $$$$
1d4l/1d4l_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1d4l/1d4l_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1h1q/1h1q_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1h1q/1h1q_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1h26/1h26_ligand.mol2 ADDED
@@ -0,0 +1,371 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1h26_ligand
7
+ 177 178 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 7.2810 151.8910 80.1680 N.4 1 SER 0.2396
14
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15
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16
+ 4 O 8.4960 150.7950 77.8100 O.2 1 SER -0.3906
17
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18
+ 6 OG 4.7490 150.9850 77.5400 O.3 1 SER -0.3870
19
+ 7 N 7.2900 148.9150 78.2060 N.am 1 ARG -0.2609
20
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+ 9 C 7.6620 148.2910 75.8010 C.2 1 ARG 0.2040
22
+ 10 O 8.3210 147.7280 74.9520 O.2 1 ARG -0.3944
23
+ 11 CB 7.8430 146.6020 77.6050 C.3 1 ARG -0.0092
24
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25
+ 13 CD 7.4970 145.7600 80.0140 C.3 1 ARG 0.0627
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+ 14 NE 6.7000 144.7300 80.6680 N.pl3 1 ARG -0.2723
27
+ 15 CZ 7.1670 143.9070 81.6050 C.cat 1 ARG 0.2882
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+ 16 NH1 8.4360 143.9880 81.9790 N.pl3 1 ARG -0.2849
29
+ 17 NH2 6.3740 142.9930 82.1660 N.pl3 1 ARG -0.2849
30
+ 18 N 6.6240 149.0650 75.5050 N.am 1 HIS -0.2625
31
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32
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33
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34
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35
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37
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50
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53
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54
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55
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56
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57
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64
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65
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66
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67
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70
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71
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72
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73
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74
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75
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78
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83
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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120
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122
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146
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148
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162
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164
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165
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166
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170
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+ $$$$
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1h26/1h26_protein_processed_fix.pdb ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
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23
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24
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26
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27
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28
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29
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30
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31
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32
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33
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34
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37
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38
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39
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40
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41
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42
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43
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44
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45
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46
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47
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48
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49
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50
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51
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52
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53
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54
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55
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56
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57
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58
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121
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123
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The diff for this file is too large to render. See raw diff
 
1h6e/1h6e_protein_processed_fix.pdb ADDED
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1k1o/1k1o_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1k1o/1k1o_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1l5q/1l5q_ligand.mol2 ADDED
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The diff for this file is too large to render. See raw diff
 
1ong/1ong_protein_processed_fix.pdb ADDED
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30
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31
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32
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33
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34
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35
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36
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37
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38
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39
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40
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41
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42
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43
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44
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45
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46
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47
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48
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49
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50
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51
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52
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53
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54
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55
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56
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57
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58
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59
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60
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61
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62
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63
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64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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83
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84
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85
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86
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87
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88
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89
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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120
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121
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122
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123
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124
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125
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126
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+ M END
314
+ $$$$
1uj0/1uj0_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,477 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N MET A 1 -10.221 29.263 35.157 1.00 0.00 N
3
+ ATOM 2 CA MET A 1 -10.184 29.562 33.727 1.00 0.00 C
4
+ ATOM 3 C MET A 1 -8.937 28.973 33.079 1.00 0.00 C
5
+ ATOM 4 CB MET A 1 -10.234 31.073 33.492 1.00 0.00 C
6
+ ATOM 5 O MET A 1 -7.844 29.053 33.642 1.00 0.00 O
7
+ ATOM 6 CG MET A 1 -11.641 31.646 33.471 1.00 0.00 C
8
+ ATOM 7 SD MET A 1 -11.822 33.025 32.275 1.00 0.00 S
9
+ ATOM 8 CE MET A 1 -12.390 34.341 33.387 1.00 0.00 C
10
+ ATOM 9 N ALA A 2 -9.094 28.089 32.041 1.00 0.00 N
11
+ ATOM 10 CA ALA A 2 -7.934 27.429 31.447 1.00 0.00 C
12
+ ATOM 11 C ALA A 2 -6.971 28.448 30.843 1.00 0.00 C
13
+ ATOM 12 CB ALA A 2 -8.378 26.427 30.385 1.00 0.00 C
14
+ ATOM 13 O ALA A 2 -7.400 29.431 30.234 1.00 0.00 O
15
+ ATOM 14 N ARG A 3 -5.737 28.538 31.209 1.00 0.00 N
16
+ ATOM 15 CA ARG A 3 -4.699 29.415 30.676 1.00 0.00 C
17
+ ATOM 16 C ARG A 3 -4.173 28.894 29.343 1.00 0.00 C
18
+ ATOM 17 CB ARG A 3 -3.549 29.556 31.676 1.00 0.00 C
19
+ ATOM 18 O ARG A 3 -4.133 27.682 29.116 1.00 0.00 O
20
+ ATOM 19 CG ARG A 3 -2.487 30.560 31.255 1.00 0.00 C
21
+ ATOM 20 CD ARG A 3 -1.428 30.746 32.332 1.00 0.00 C
22
+ ATOM 21 NE ARG A 3 -1.489 32.080 32.923 1.00 0.00 N
23
+ ATOM 22 NH1 ARG A 3 0.176 31.693 34.477 1.00 0.00 N
24
+ ATOM 23 NH2 ARG A 3 -0.865 33.734 34.389 1.00 0.00 N
25
+ ATOM 24 CZ ARG A 3 -0.725 32.499 33.929 1.00 0.00 C
26
+ ATOM 25 N ARG A 4 -3.861 29.837 28.381 1.00 0.00 N
27
+ ATOM 26 CA ARG A 4 -3.198 29.497 27.127 1.00 0.00 C
28
+ ATOM 27 C ARG A 4 -1.710 29.829 27.186 1.00 0.00 C
29
+ ATOM 28 CB ARG A 4 -3.852 30.232 25.955 1.00 0.00 C
30
+ ATOM 29 O ARG A 4 -1.316 30.827 27.792 1.00 0.00 O
31
+ ATOM 30 CG ARG A 4 -5.297 29.829 25.704 1.00 0.00 C
32
+ ATOM 31 CD ARG A 4 -5.842 30.452 24.427 1.00 0.00 C
33
+ ATOM 32 NE ARG A 4 -6.091 31.881 24.587 1.00 0.00 N
34
+ ATOM 33 NH1 ARG A 4 -6.887 32.195 22.441 1.00 0.00 N
35
+ ATOM 34 NH2 ARG A 4 -6.768 33.964 23.894 1.00 0.00 N
36
+ ATOM 35 CZ ARG A 4 -6.582 32.677 23.641 1.00 0.00 C
37
+ ATOM 36 N VAL A 5 -0.943 29.048 26.620 1.00 0.00 N
38
+ ATOM 37 CA VAL A 5 0.492 29.254 26.454 1.00 0.00 C
39
+ ATOM 38 C VAL A 5 0.864 29.138 24.978 1.00 0.00 C
40
+ ATOM 39 CB VAL A 5 1.309 28.243 27.290 1.00 0.00 C
41
+ ATOM 40 O VAL A 5 0.093 28.601 24.178 1.00 0.00 O
42
+ ATOM 41 CG1 VAL A 5 1.031 28.425 28.781 1.00 0.00 C
43
+ ATOM 42 CG2 VAL A 5 0.994 26.813 26.855 1.00 0.00 C
44
+ ATOM 43 N ARG A 6 2.034 29.689 24.567 1.00 0.00 N
45
+ ATOM 44 CA ARG A 6 2.534 29.600 23.199 1.00 0.00 C
46
+ ATOM 45 C ARG A 6 3.765 28.703 23.123 1.00 0.00 C
47
+ ATOM 46 CB ARG A 6 2.865 30.992 22.655 1.00 0.00 C
48
+ ATOM 47 O ARG A 6 4.665 28.803 23.959 1.00 0.00 O
49
+ ATOM 48 CG ARG A 6 3.150 31.018 21.162 1.00 0.00 C
50
+ ATOM 49 CD ARG A 6 3.412 32.430 20.662 1.00 0.00 C
51
+ ATOM 50 NE ARG A 6 2.269 33.307 20.899 1.00 0.00 N
52
+ ATOM 51 NH1 ARG A 6 1.062 32.572 19.071 1.00 0.00 N
53
+ ATOM 52 NH2 ARG A 6 0.197 34.189 20.447 1.00 0.00 N
54
+ ATOM 53 CZ ARG A 6 1.178 33.355 20.138 1.00 0.00 C
55
+ ATOM 54 N ALA A 7 3.804 27.852 22.172 1.00 0.00 N
56
+ ATOM 55 CA ALA A 7 4.933 26.945 21.982 1.00 0.00 C
57
+ ATOM 56 C ALA A 7 6.184 27.708 21.559 1.00 0.00 C
58
+ ATOM 57 CB ALA A 7 4.589 25.876 20.947 1.00 0.00 C
59
+ ATOM 58 O ALA A 7 6.146 28.502 20.616 1.00 0.00 O
60
+ ATOM 59 N LEU A 8 7.350 27.425 22.264 1.00 0.00 N
61
+ ATOM 60 CA LEU A 8 8.638 28.027 21.937 1.00 0.00 C
62
+ ATOM 61 C LEU A 8 9.397 27.171 20.929 1.00 0.00 C
63
+ ATOM 62 CB LEU A 8 9.480 28.213 23.203 1.00 0.00 C
64
+ ATOM 63 O LEU A 8 10.265 27.673 20.211 1.00 0.00 O
65
+ ATOM 64 CG LEU A 8 8.983 29.261 24.199 1.00 0.00 C
66
+ ATOM 65 CD1 LEU A 8 9.814 29.213 25.477 1.00 0.00 C
67
+ ATOM 66 CD2 LEU A 8 9.027 30.653 23.578 1.00 0.00 C
68
+ ATOM 67 N TYR A 9 9.082 25.881 20.979 1.00 0.00 N
69
+ ATOM 68 CA TYR A 9 9.735 24.885 20.137 1.00 0.00 C
70
+ ATOM 69 C TYR A 9 8.722 23.896 19.576 1.00 0.00 C
71
+ ATOM 70 CB TYR A 9 10.814 24.138 20.926 1.00 0.00 C
72
+ ATOM 71 O TYR A 9 7.619 23.756 20.111 1.00 0.00 O
73
+ ATOM 72 CG TYR A 9 11.820 25.046 21.590 1.00 0.00 C
74
+ ATOM 73 CD1 TYR A 9 12.824 25.666 20.849 1.00 0.00 C
75
+ ATOM 74 CD2 TYR A 9 11.769 25.285 22.959 1.00 0.00 C
76
+ ATOM 75 CE1 TYR A 9 13.754 26.502 21.457 1.00 0.00 C
77
+ ATOM 76 CE2 TYR A 9 12.695 26.119 23.578 1.00 0.00 C
78
+ ATOM 77 OH TYR A 9 14.600 27.549 23.427 1.00 0.00 O
79
+ ATOM 78 CZ TYR A 9 13.681 26.722 22.821 1.00 0.00 C
80
+ ATOM 79 N ASP A 10 9.074 23.270 18.502 1.00 0.00 N
81
+ ATOM 80 CA ASP A 10 8.336 22.071 18.115 1.00 0.00 C
82
+ ATOM 81 C ASP A 10 8.473 20.976 19.169 1.00 0.00 C
83
+ ATOM 82 CB ASP A 10 8.821 21.558 16.757 1.00 0.00 C
84
+ ATOM 83 O ASP A 10 9.525 20.840 19.797 1.00 0.00 O
85
+ ATOM 84 CG ASP A 10 8.491 22.502 15.615 1.00 0.00 C
86
+ ATOM 85 OD1 ASP A 10 7.748 23.483 15.829 1.00 0.00 O
87
+ ATOM 86 OD2 ASP A 10 8.978 22.261 14.488 1.00 0.00 O
88
+ ATOM 87 N PHE A 11 7.419 20.271 19.361 1.00 0.00 N
89
+ ATOM 88 CA PHE A 11 7.453 19.064 20.180 1.00 0.00 C
90
+ ATOM 89 C PHE A 11 6.719 17.921 19.487 1.00 0.00 C
91
+ ATOM 90 CB PHE A 11 6.834 19.328 21.555 1.00 0.00 C
92
+ ATOM 91 O PHE A 11 5.539 18.045 19.156 1.00 0.00 O
93
+ ATOM 92 CG PHE A 11 6.923 18.157 22.496 1.00 0.00 C
94
+ ATOM 93 CD1 PHE A 11 8.144 17.769 23.033 1.00 0.00 C
95
+ ATOM 94 CD2 PHE A 11 5.783 17.441 22.842 1.00 0.00 C
96
+ ATOM 95 CE1 PHE A 11 8.229 16.685 23.903 1.00 0.00 C
97
+ ATOM 96 CE2 PHE A 11 5.860 16.357 23.712 1.00 0.00 C
98
+ ATOM 97 CZ PHE A 11 7.083 15.980 24.240 1.00 0.00 C
99
+ ATOM 98 N GLU A 12 7.405 16.831 19.262 1.00 0.00 N
100
+ ATOM 99 CA GLU A 12 6.806 15.660 18.630 1.00 0.00 C
101
+ ATOM 100 C GLU A 12 6.556 14.551 19.647 1.00 0.00 C
102
+ ATOM 101 CB GLU A 12 7.698 15.144 17.497 1.00 0.00 C
103
+ ATOM 102 O GLU A 12 7.487 14.089 20.310 1.00 0.00 O
104
+ ATOM 103 CG GLU A 12 7.085 13.999 16.704 1.00 0.00 C
105
+ ATOM 104 CD GLU A 12 5.951 14.441 15.791 1.00 0.00 C
106
+ ATOM 105 OE1 GLU A 12 5.916 15.630 15.399 1.00 0.00 O
107
+ ATOM 106 OE2 GLU A 12 5.092 13.592 15.466 1.00 0.00 O
108
+ ATOM 107 N ALA A 13 5.306 14.142 19.788 1.00 0.00 N
109
+ ATOM 108 CA ALA A 13 4.909 13.050 20.674 1.00 0.00 C
110
+ ATOM 109 C ALA A 13 5.551 11.734 20.244 1.00 0.00 C
111
+ ATOM 110 CB ALA A 13 3.388 12.912 20.698 1.00 0.00 C
112
+ ATOM 111 O ALA A 13 5.526 11.381 19.062 1.00 0.00 O
113
+ ATOM 112 N VAL A 14 6.207 11.100 21.290 1.00 0.00 N
114
+ ATOM 113 CA VAL A 14 6.761 9.773 21.037 1.00 0.00 C
115
+ ATOM 114 C VAL A 14 5.988 8.729 21.839 1.00 0.00 C
116
+ ATOM 115 CB VAL A 14 8.264 9.709 21.388 1.00 0.00 C
117
+ ATOM 116 O VAL A 14 6.164 7.525 21.634 1.00 0.00 O
118
+ ATOM 117 CG1 VAL A 14 9.065 10.672 20.513 1.00 0.00 C
119
+ ATOM 118 CG2 VAL A 14 8.479 10.023 22.868 1.00 0.00 C
120
+ ATOM 119 N GLU A 15 5.199 9.195 22.742 1.00 0.00 N
121
+ ATOM 120 CA GLU A 15 4.300 8.330 23.501 1.00 0.00 C
122
+ ATOM 121 C GLU A 15 2.840 8.709 23.265 1.00 0.00 C
123
+ ATOM 122 CB GLU A 15 4.625 8.395 24.995 1.00 0.00 C
124
+ ATOM 123 O GLU A 15 2.539 9.851 22.914 1.00 0.00 O
125
+ ATOM 124 CG GLU A 15 6.026 7.911 25.341 1.00 0.00 C
126
+ ATOM 125 CD GLU A 15 6.270 7.801 26.838 1.00 0.00 C
127
+ ATOM 126 OE1 GLU A 15 5.309 7.962 27.623 1.00 0.00 O
128
+ ATOM 127 OE2 GLU A 15 7.433 7.554 27.229 1.00 0.00 O
129
+ ATOM 128 N ASP A 16 1.972 7.759 23.431 1.00 0.00 N
130
+ ATOM 129 CA ASP A 16 0.553 7.969 23.157 1.00 0.00 C
131
+ ATOM 130 C ASP A 16 -0.020 9.073 24.043 1.00 0.00 C
132
+ ATOM 131 CB ASP A 16 -0.230 6.671 23.363 1.00 0.00 C
133
+ ATOM 132 O ASP A 16 -0.981 9.745 23.663 1.00 0.00 O
134
+ ATOM 133 CG ASP A 16 0.003 5.656 22.256 1.00 0.00 C
135
+ ATOM 134 OD1 ASP A 16 0.559 6.024 21.199 1.00 0.00 O
136
+ ATOM 135 OD2 ASP A 16 -0.378 4.481 22.442 1.00 0.00 O
137
+ ATOM 136 N ASN A 17 0.561 9.339 25.203 1.00 0.00 N
138
+ ATOM 137 CA ASN A 17 -0.035 10.290 26.137 1.00 0.00 C
139
+ ATOM 138 C ASN A 17 0.565 11.684 25.975 1.00 0.00 C
140
+ ATOM 139 CB ASN A 17 0.130 9.803 27.578 1.00 0.00 C
141
+ ATOM 140 O ASN A 17 0.357 12.555 26.822 1.00 0.00 O
142
+ ATOM 141 CG ASN A 17 1.585 9.673 27.986 1.00 0.00 C
143
+ ATOM 142 ND2 ASN A 17 1.820 9.416 29.268 1.00 0.00 N
144
+ ATOM 143 OD1 ASN A 17 2.490 9.803 27.157 1.00 0.00 O
145
+ ATOM 144 N GLU A 18 1.444 11.861 24.930 1.00 0.00 N
146
+ ATOM 145 CA GLU A 18 2.104 13.144 24.708 1.00 0.00 C
147
+ ATOM 146 C GLU A 18 1.386 13.956 23.633 1.00 0.00 C
148
+ ATOM 147 CB GLU A 18 3.569 12.936 24.320 1.00 0.00 C
149
+ ATOM 148 O GLU A 18 0.703 13.392 22.776 1.00 0.00 O
150
+ ATOM 149 CG GLU A 18 4.422 12.341 25.431 1.00 0.00 C
151
+ ATOM 150 CD GLU A 18 5.857 12.070 25.008 1.00 0.00 C
152
+ ATOM 151 OE1 GLU A 18 6.149 12.114 23.791 1.00 0.00 O
153
+ ATOM 152 OE2 GLU A 18 6.696 11.810 25.899 1.00 0.00 O
154
+ ATOM 153 N LEU A 19 1.500 15.238 23.674 1.00 0.00 N
155
+ ATOM 154 CA LEU A 19 0.856 16.208 22.796 1.00 0.00 C
156
+ ATOM 155 C LEU A 19 1.842 16.746 21.765 1.00 0.00 C
157
+ ATOM 156 CB LEU A 19 0.272 17.365 23.612 1.00 0.00 C
158
+ ATOM 157 O LEU A 19 2.905 17.259 22.122 1.00 0.00 O
159
+ ATOM 158 CG LEU A 19 -0.591 18.368 22.844 1.00 0.00 C
160
+ ATOM 159 CD1 LEU A 19 -1.860 17.694 22.334 1.00 0.00 C
161
+ ATOM 160 CD2 LEU A 19 -0.933 19.565 23.726 1.00 0.00 C
162
+ ATOM 161 N THR A 20 1.569 16.592 20.560 1.00 0.00 N
163
+ ATOM 162 CA THR A 20 2.392 17.166 19.500 1.00 0.00 C
164
+ ATOM 163 C THR A 20 2.003 18.620 19.242 1.00 0.00 C
165
+ ATOM 164 CB THR A 20 2.266 16.359 18.195 1.00 0.00 C
166
+ ATOM 165 O THR A 20 0.818 18.961 19.246 1.00 0.00 O
167
+ ATOM 166 CG2 THR A 20 3.037 17.026 17.060 1.00 0.00 C
168
+ ATOM 167 OG1 THR A 20 2.789 15.042 18.404 1.00 0.00 O
169
+ ATOM 168 N PHE A 21 2.923 19.485 18.979 1.00 0.00 N
170
+ ATOM 169 CA PHE A 21 2.660 20.859 18.571 1.00 0.00 C
171
+ ATOM 170 C PHE A 21 3.855 21.441 17.826 1.00 0.00 C
172
+ ATOM 171 CB PHE A 21 2.327 21.728 19.788 1.00 0.00 C
173
+ ATOM 172 O PHE A 21 4.964 20.908 17.910 1.00 0.00 O
174
+ ATOM 173 CG PHE A 21 3.329 21.620 20.905 1.00 0.00 C
175
+ ATOM 174 CD1 PHE A 21 3.079 20.810 22.006 1.00 0.00 C
176
+ ATOM 175 CD2 PHE A 21 4.523 22.327 20.853 1.00 0.00 C
177
+ ATOM 176 CE1 PHE A 21 4.006 20.707 23.041 1.00 0.00 C
178
+ ATOM 177 CE2 PHE A 21 5.453 22.231 21.884 1.00 0.00 C
179
+ ATOM 178 CZ PHE A 21 5.193 21.421 22.977 1.00 0.00 C
180
+ ATOM 179 N LYS A 22 3.630 22.563 17.085 1.00 0.00 N
181
+ ATOM 180 CA LYS A 22 4.651 23.301 16.350 1.00 0.00 C
182
+ ATOM 181 C LYS A 22 4.964 24.632 17.029 1.00 0.00 C
183
+ ATOM 182 CB LYS A 22 4.206 23.542 14.906 1.00 0.00 C
184
+ ATOM 183 O LYS A 22 4.124 25.182 17.744 1.00 0.00 O
185
+ ATOM 184 CG LYS A 22 3.968 22.267 14.111 1.00 0.00 C
186
+ ATOM 185 CD LYS A 22 5.263 21.495 13.893 1.00 0.00 C
187
+ ATOM 186 CE LYS A 22 5.074 20.353 12.903 1.00 0.00 C
188
+ ATOM 187 NZ LYS A 22 6.344 19.600 12.678 1.00 0.00 N
189
+ ATOM 188 N HIS A 23 6.114 25.091 16.783 1.00 0.00 N
190
+ ATOM 189 CA HIS A 23 6.499 26.412 17.268 1.00 0.00 C
191
+ ATOM 190 C HIS A 23 5.433 27.452 16.938 1.00 0.00 C
192
+ ATOM 191 CB HIS A 23 7.844 26.831 16.670 1.00 0.00 C
193
+ ATOM 192 O HIS A 23 4.984 27.545 15.794 1.00 0.00 O
194
+ ATOM 193 CG HIS A 23 8.234 28.237 16.997 1.00 0.00 C
195
+ ATOM 194 CD2 HIS A 23 8.762 28.774 18.122 1.00 0.00 C
196
+ ATOM 195 ND1 HIS A 23 8.088 29.277 16.104 1.00 0.00 N
197
+ ATOM 196 CE1 HIS A 23 8.513 30.396 16.668 1.00 0.00 C
198
+ ATOM 197 NE2 HIS A 23 8.927 30.118 17.892 1.00 0.00 N
199
+ ATOM 198 N GLY A 24 5.063 28.211 17.941 1.00 0.00 N
200
+ ATOM 199 CA GLY A 24 4.149 29.323 17.732 1.00 0.00 C
201
+ ATOM 200 C GLY A 24 2.699 28.960 17.993 1.00 0.00 C
202
+ ATOM 201 O GLY A 24 1.842 29.841 18.096 1.00 0.00 O
203
+ ATOM 202 N GLU A 25 2.398 27.711 18.086 1.00 0.00 N
204
+ ATOM 203 CA GLU A 25 1.017 27.297 18.318 1.00 0.00 C
205
+ ATOM 204 C GLU A 25 0.601 27.547 19.764 1.00 0.00 C
206
+ ATOM 205 CB GLU A 25 0.831 25.820 17.964 1.00 0.00 C
207
+ ATOM 206 O GLU A 25 1.440 27.532 20.669 1.00 0.00 O
208
+ ATOM 207 CG GLU A 25 0.980 25.518 16.480 1.00 0.00 C
209
+ ATOM 208 CD GLU A 25 0.715 24.062 16.134 1.00 0.00 C
210
+ ATOM 209 OE1 GLU A 25 0.829 23.194 17.029 1.00 0.00 O
211
+ ATOM 210 OE2 GLU A 25 0.391 23.786 14.957 1.00 0.00 O
212
+ ATOM 211 N LEU A 26 -0.697 27.769 19.941 1.00 0.00 N
213
+ ATOM 212 CA LEU A 26 -1.278 27.958 21.265 1.00 0.00 C
214
+ ATOM 213 C LEU A 26 -1.736 26.628 21.853 1.00 0.00 C
215
+ ATOM 214 CB LEU A 26 -2.457 28.934 21.198 1.00 0.00 C
216
+ ATOM 215 O LEU A 26 -2.296 25.790 21.144 1.00 0.00 O
217
+ ATOM 216 CG LEU A 26 -2.115 30.391 20.886 1.00 0.00 C
218
+ ATOM 217 CD1 LEU A 26 -3.390 31.205 20.691 1.00 0.00 C
219
+ ATOM 218 CD2 LEU A 26 -1.258 30.988 21.996 1.00 0.00 C
220
+ ATOM 219 N ILE A 27 -1.526 26.468 23.081 1.00 0.00 N
221
+ ATOM 220 CA ILE A 27 -1.916 25.291 23.850 1.00 0.00 C
222
+ ATOM 221 C ILE A 27 -2.750 25.715 25.056 1.00 0.00 C
223
+ ATOM 222 CB ILE A 27 -0.683 24.481 24.308 1.00 0.00 C
224
+ ATOM 223 O ILE A 27 -2.378 26.644 25.779 1.00 0.00 O
225
+ ATOM 224 CG1 ILE A 27 0.166 24.070 23.100 1.00 0.00 C
226
+ ATOM 225 CG2 ILE A 27 -1.113 23.254 25.117 1.00 0.00 C
227
+ ATOM 226 CD1 ILE A 27 1.569 23.601 23.459 1.00 0.00 C
228
+ ATOM 227 N THR A 28 -3.901 25.089 25.272 1.00 0.00 N
229
+ ATOM 228 CA THR A 28 -4.650 25.263 26.512 1.00 0.00 C
230
+ ATOM 229 C THR A 28 -4.104 24.351 27.607 1.00 0.00 C
231
+ ATOM 230 CB THR A 28 -6.150 24.979 26.303 1.00 0.00 C
232
+ ATOM 231 O THR A 28 -4.004 23.137 27.417 1.00 0.00 O
233
+ ATOM 232 CG2 THR A 28 -6.938 25.218 27.587 1.00 0.00 C
234
+ ATOM 233 OG1 THR A 28 -6.655 25.841 25.277 1.00 0.00 O
235
+ ATOM 234 N VAL A 29 -3.735 24.939 28.717 1.00 0.00 N
236
+ ATOM 235 CA VAL A 29 -3.198 24.159 29.827 1.00 0.00 C
237
+ ATOM 236 C VAL A 29 -4.344 23.590 30.660 1.00 0.00 C
238
+ ATOM 237 CB VAL A 29 -2.264 25.008 30.717 1.00 0.00 C
239
+ ATOM 238 O VAL A 29 -5.181 24.339 31.170 1.00 0.00 O
240
+ ATOM 239 CG1 VAL A 29 -1.735 24.182 31.888 1.00 0.00 C
241
+ ATOM 240 CG2 VAL A 29 -1.108 25.570 29.891 1.00 0.00 C
242
+ ATOM 241 N LEU A 30 -4.385 22.204 30.845 1.00 0.00 N
243
+ ATOM 242 CA LEU A 30 -5.419 21.502 31.597 1.00 0.00 C
244
+ ATOM 243 C LEU A 30 -4.935 21.164 33.003 1.00 0.00 C
245
+ ATOM 244 CB LEU A 30 -5.836 20.222 30.867 1.00 0.00 C
246
+ ATOM 245 O LEU A 30 -5.731 21.116 33.943 1.00 0.00 O
247
+ ATOM 246 CG LEU A 30 -6.388 20.398 29.451 1.00 0.00 C
248
+ ATOM 247 CD1 LEU A 30 -6.672 19.039 28.821 1.00 0.00 C
249
+ ATOM 248 CD2 LEU A 30 -7.647 21.258 29.471 1.00 0.00 C
250
+ ATOM 249 N ASP A 31 -3.642 20.928 33.164 1.00 0.00 N
251
+ ATOM 250 CA ASP A 31 -3.015 20.578 34.434 1.00 0.00 C
252
+ ATOM 251 C ASP A 31 -1.533 20.945 34.435 1.00 0.00 C
253
+ ATOM 252 CB ASP A 31 -3.187 19.086 34.724 1.00 0.00 C
254
+ ATOM 253 O ASP A 31 -0.777 20.498 33.569 1.00 0.00 O
255
+ ATOM 254 CG ASP A 31 -2.690 18.689 36.104 1.00 0.00 C
256
+ ATOM 255 OD1 ASP A 31 -2.223 19.567 36.860 1.00 0.00 O
257
+ ATOM 256 OD2 ASP A 31 -2.765 17.486 36.436 1.00 0.00 O
258
+ ATOM 257 N ASP A 32 -1.232 21.695 35.411 1.00 0.00 N
259
+ ATOM 258 CA ASP A 32 0.175 22.062 35.547 1.00 0.00 C
260
+ ATOM 259 C ASP A 32 0.687 21.758 36.953 1.00 0.00 C
261
+ ATOM 260 CB ASP A 32 0.376 23.544 35.223 1.00 0.00 C
262
+ ATOM 261 O ASP A 32 1.554 22.467 37.470 1.00 0.00 O
263
+ ATOM 262 CG ASP A 32 -0.415 24.464 36.136 1.00 0.00 C
264
+ ATOM 263 OD1 ASP A 32 -1.096 23.969 37.059 1.00 0.00 O
265
+ ATOM 264 OD2 ASP A 32 -0.357 25.696 35.930 1.00 0.00 O
266
+ ATOM 265 N SER A 33 0.221 20.619 37.586 1.00 0.00 N
267
+ ATOM 266 CA SER A 33 0.621 20.232 38.935 1.00 0.00 C
268
+ ATOM 267 C SER A 33 2.018 19.620 38.943 1.00 0.00 C
269
+ ATOM 268 CB SER A 33 -0.382 19.242 39.529 1.00 0.00 C
270
+ ATOM 269 O SER A 33 2.731 19.700 39.946 1.00 0.00 O
271
+ ATOM 270 OG SER A 33 -0.539 18.117 38.682 1.00 0.00 O
272
+ ATOM 271 N ASP A 34 2.437 18.933 37.774 1.00 0.00 N
273
+ ATOM 272 CA ASP A 34 3.814 18.472 37.634 1.00 0.00 C
274
+ ATOM 273 C ASP A 34 4.732 19.609 37.189 1.00 0.00 C
275
+ ATOM 274 CB ASP A 34 3.893 17.312 36.640 1.00 0.00 C
276
+ ATOM 275 O ASP A 34 4.367 20.404 36.321 1.00 0.00 O
277
+ ATOM 276 CG ASP A 34 5.278 16.696 36.556 1.00 0.00 C
278
+ ATOM 277 OD1 ASP A 34 6.147 17.244 35.843 1.00 0.00 O
279
+ ATOM 278 OD2 ASP A 34 5.503 15.652 37.205 1.00 0.00 O
280
+ ATOM 279 N ALA A 35 5.868 19.708 37.765 1.00 0.00 N
281
+ ATOM 280 CA ALA A 35 6.793 20.805 37.496 1.00 0.00 C
282
+ ATOM 281 C ALA A 35 7.328 20.734 36.068 1.00 0.00 C
283
+ ATOM 282 CB ALA A 35 7.947 20.785 38.495 1.00 0.00 C
284
+ ATOM 283 O ALA A 35 7.686 21.757 35.481 1.00 0.00 O
285
+ ATOM 284 N ASN A 36 7.405 19.571 35.556 1.00 0.00 N
286
+ ATOM 285 CA ASN A 36 8.135 19.392 34.306 1.00 0.00 C
287
+ ATOM 286 C ASN A 36 7.196 19.047 33.152 1.00 0.00 C
288
+ ATOM 287 CB ASN A 36 9.206 18.309 34.460 1.00 0.00 C
289
+ ATOM 288 O ASN A 36 7.414 19.480 32.019 1.00 0.00 O
290
+ ATOM 289 CG ASN A 36 10.323 18.723 35.399 1.00 0.00 C
291
+ ATOM 290 ND2 ASN A 36 10.661 17.849 36.340 1.00 0.00 N
292
+ ATOM 291 OD1 ASN A 36 10.876 19.819 35.280 1.00 0.00 O
293
+ ATOM 292 N TRP A 37 6.138 18.305 33.418 1.00 0.00 N
294
+ ATOM 293 CA TRP A 37 5.218 17.836 32.386 1.00 0.00 C
295
+ ATOM 294 C TRP A 37 3.802 18.334 32.653 1.00 0.00 C
296
+ ATOM 295 CB TRP A 37 5.229 16.307 32.308 1.00 0.00 C
297
+ ATOM 296 O TRP A 37 3.160 17.913 33.619 1.00 0.00 O
298
+ ATOM 297 CG TRP A 37 6.511 15.734 31.785 1.00 0.00 C
299
+ ATOM 298 CD1 TRP A 37 7.595 15.335 32.517 1.00 0.00 C
300
+ ATOM 299 CD2 TRP A 37 6.845 15.498 30.414 1.00 0.00 C
301
+ ATOM 300 CE2 TRP A 37 8.148 14.954 30.388 1.00 0.00 C
302
+ ATOM 301 CE3 TRP A 37 6.167 15.694 29.203 1.00 0.00 C
303
+ ATOM 302 NE1 TRP A 37 8.583 14.865 31.683 1.00 0.00 N
304
+ ATOM 303 CH2 TRP A 37 8.101 14.805 28.026 1.00 0.00 C
305
+ ATOM 304 CZ2 TRP A 37 8.787 14.603 29.196 1.00 0.00 C
306
+ ATOM 305 CZ3 TRP A 37 6.805 15.344 28.018 1.00 0.00 C
307
+ ATOM 306 N TRP A 38 3.323 19.142 31.809 1.00 0.00 N
308
+ ATOM 307 CA TRP A 38 1.965 19.663 31.924 1.00 0.00 C
309
+ ATOM 308 C TRP A 38 1.011 18.905 31.007 1.00 0.00 C
310
+ ATOM 309 CB TRP A 38 1.933 21.157 31.593 1.00 0.00 C
311
+ ATOM 310 O TRP A 38 1.440 18.287 30.030 1.00 0.00 O
312
+ ATOM 311 CG TRP A 38 2.610 22.023 32.612 1.00 0.00 C
313
+ ATOM 312 CD1 TRP A 38 3.154 21.624 33.801 1.00 0.00 C
314
+ ATOM 313 CD2 TRP A 38 2.812 23.438 32.533 1.00 0.00 C
315
+ ATOM 314 CE2 TRP A 38 3.486 23.830 33.711 1.00 0.00 C
316
+ ATOM 315 CE3 TRP A 38 2.488 24.412 31.580 1.00 0.00 C
317
+ ATOM 316 NE1 TRP A 38 3.682 22.706 34.467 1.00 0.00 N
318
+ ATOM 317 CH2 TRP A 38 3.513 26.091 33.012 1.00 0.00 C
319
+ ATOM 318 CZ2 TRP A 38 3.843 25.157 33.961 1.00 0.00 C
320
+ ATOM 319 CZ3 TRP A 38 2.843 25.733 31.831 1.00 0.00 C
321
+ ATOM 320 N GLN A 39 -0.249 18.911 31.398 1.00 0.00 N
322
+ ATOM 321 CA GLN A 39 -1.294 18.437 30.496 1.00 0.00 C
323
+ ATOM 322 C GLN A 39 -1.936 19.597 29.739 1.00 0.00 C
324
+ ATOM 323 CB GLN A 39 -2.362 17.662 31.271 1.00 0.00 C
325
+ ATOM 324 O GLN A 39 -2.293 20.613 30.336 1.00 0.00 O
326
+ ATOM 325 CG GLN A 39 -3.322 16.882 30.383 1.00 0.00 C
327
+ ATOM 326 CD GLN A 39 -4.281 16.013 31.176 1.00 0.00 C
328
+ ATOM 327 NE2 GLN A 39 -4.648 14.868 30.611 1.00 0.00 N
329
+ ATOM 328 OE1 GLN A 39 -4.686 16.368 32.287 1.00 0.00 O
330
+ ATOM 329 N GLY A 40 -2.111 19.410 28.427 1.00 0.00 N
331
+ ATOM 330 CA GLY A 40 -2.702 20.468 27.624 1.00 0.00 C
332
+ ATOM 331 C GLY A 40 -3.560 19.946 26.488 1.00 0.00 C
333
+ ATOM 332 O GLY A 40 -3.717 18.734 26.328 1.00 0.00 O
334
+ ATOM 333 N GLU A 41 -4.131 20.870 25.781 1.00 0.00 N
335
+ ATOM 334 CA GLU A 41 -4.988 20.581 24.634 1.00 0.00 C
336
+ ATOM 335 C GLU A 41 -4.713 21.545 23.484 1.00 0.00 C
337
+ ATOM 336 CB GLU A 41 -6.464 20.647 25.036 1.00 0.00 C
338
+ ATOM 337 O GLU A 41 -4.569 22.750 23.698 1.00 0.00 O
339
+ ATOM 338 CG GLU A 41 -7.421 20.236 23.927 1.00 0.00 C
340
+ ATOM 339 CD GLU A 41 -8.881 20.278 24.349 1.00 0.00 C
341
+ ATOM 340 OE1 GLU A 41 -9.315 21.296 24.934 1.00 0.00 O
342
+ ATOM 341 OE2 GLU A 41 -9.598 19.284 24.094 1.00 0.00 O
343
+ ATOM 342 N ASN A 42 -4.640 21.016 22.250 1.00 0.00 N
344
+ ATOM 343 CA ASN A 42 -4.649 21.794 21.015 1.00 0.00 C
345
+ ATOM 344 C ASN A 42 -5.507 21.131 19.942 1.00 0.00 C
346
+ ATOM 345 CB ASN A 42 -3.223 22.004 20.502 1.00 0.00 C
347
+ ATOM 346 O ASN A 42 -6.357 20.294 20.249 1.00 0.00 O
348
+ ATOM 347 CG ASN A 42 -2.546 20.704 20.113 1.00 0.00 C
349
+ ATOM 348 ND2 ASN A 42 -1.222 20.732 20.016 1.00 0.00 N
350
+ ATOM 349 OD1 ASN A 42 -3.207 19.684 19.902 1.00 0.00 O
351
+ ATOM 350 N HIS A 43 -5.398 21.555 18.733 1.00 0.00 N
352
+ ATOM 351 CA HIS A 43 -6.271 21.047 17.681 1.00 0.00 C
353
+ ATOM 352 C HIS A 43 -5.967 19.584 17.372 1.00 0.00 C
354
+ ATOM 353 CB HIS A 43 -6.132 21.891 16.414 1.00 0.00 C
355
+ ATOM 354 O HIS A 43 -6.707 18.936 16.628 1.00 0.00 O
356
+ ATOM 355 CG HIS A 43 -4.751 21.892 15.842 1.00 0.00 C
357
+ ATOM 356 CD2 HIS A 43 -4.237 21.266 14.757 1.00 0.00 C
358
+ ATOM 357 ND1 HIS A 43 -3.712 22.602 16.407 1.00 0.00 N
359
+ ATOM 358 CE1 HIS A 43 -2.617 22.412 15.689 1.00 0.00 C
360
+ ATOM 359 NE2 HIS A 43 -2.908 21.606 14.683 1.00 0.00 N
361
+ ATOM 360 N ARG A 44 -4.920 19.012 17.870 1.00 0.00 N
362
+ ATOM 361 CA ARG A 44 -4.566 17.624 17.595 1.00 0.00 C
363
+ ATOM 362 C ARG A 44 -5.012 16.709 18.731 1.00 0.00 C
364
+ ATOM 363 CB ARG A 44 -3.058 17.487 17.374 1.00 0.00 C
365
+ ATOM 364 O ARG A 44 -4.984 15.484 18.597 1.00 0.00 O
366
+ ATOM 365 CG ARG A 44 -2.551 18.194 16.128 1.00 0.00 C
367
+ ATOM 366 CD ARG A 44 -1.035 18.115 16.011 1.00 0.00 C
368
+ ATOM 367 NE ARG A 44 -0.536 18.924 14.903 1.00 0.00 N
369
+ ATOM 368 NH1 ARG A 44 -0.143 20.808 16.181 1.00 0.00 N
370
+ ATOM 369 NH2 ARG A 44 0.310 20.826 13.934 1.00 0.00 N
371
+ ATOM 370 CZ ARG A 44 -0.124 20.184 15.009 1.00 0.00 C
372
+ ATOM 371 N GLY A 45 -5.357 17.165 19.867 1.00 0.00 N
373
+ ATOM 372 CA GLY A 45 -5.839 16.374 20.988 1.00 0.00 C
374
+ ATOM 373 C GLY A 45 -5.330 16.867 22.329 1.00 0.00 C
375
+ ATOM 374 O GLY A 45 -4.991 18.043 22.477 1.00 0.00 O
376
+ ATOM 375 N THR A 46 -5.361 16.024 23.295 1.00 0.00 N
377
+ ATOM 376 CA THR A 46 -4.877 16.268 24.649 1.00 0.00 C
378
+ ATOM 377 C THR A 46 -3.663 15.395 24.956 1.00 0.00 C
379
+ ATOM 378 CB THR A 46 -5.979 16.005 25.692 1.00 0.00 C
380
+ ATOM 379 O THR A 46 -3.526 14.299 24.408 1.00 0.00 O
381
+ ATOM 380 CG2 THR A 46 -7.266 16.738 25.330 1.00 0.00 C
382
+ ATOM 381 OG1 THR A 46 -6.245 14.598 25.751 1.00 0.00 O
383
+ ATOM 382 N GLY A 47 -2.727 15.893 25.726 1.00 0.00 N
384
+ ATOM 383 CA GLY A 47 -1.591 15.094 26.160 1.00 0.00 C
385
+ ATOM 384 C GLY A 47 -0.579 15.886 26.968 1.00 0.00 C
386
+ ATOM 385 O GLY A 47 -0.782 17.072 27.236 1.00 0.00 O
387
+ ATOM 386 N LEU A 48 0.449 15.214 27.368 1.00 0.00 N
388
+ ATOM 387 CA LEU A 48 1.535 15.810 28.138 1.00 0.00 C
389
+ ATOM 388 C LEU A 48 2.509 16.546 27.224 1.00 0.00 C
390
+ ATOM 389 CB LEU A 48 2.278 14.737 28.938 1.00 0.00 C
391
+ ATOM 390 O LEU A 48 2.688 16.165 26.066 1.00 0.00 O
392
+ ATOM 391 CG LEU A 48 1.461 13.991 29.994 1.00 0.00 C
393
+ ATOM 392 CD1 LEU A 48 2.290 12.870 30.612 1.00 0.00 C
394
+ ATOM 393 CD2 LEU A 48 0.972 14.955 31.070 1.00 0.00 C
395
+ ATOM 394 N PHE A 49 3.167 17.534 27.757 1.00 0.00 N
396
+ ATOM 395 CA PHE A 49 4.233 18.257 27.075 1.00 0.00 C
397
+ ATOM 396 C PHE A 49 5.201 18.871 28.080 1.00 0.00 C
398
+ ATOM 397 CB PHE A 49 3.654 19.350 26.171 1.00 0.00 C
399
+ ATOM 398 O PHE A 49 4.830 19.131 29.227 1.00 0.00 O
400
+ ATOM 399 CG PHE A 49 2.931 20.436 26.920 1.00 0.00 C
401
+ ATOM 400 CD1 PHE A 49 1.566 20.344 27.164 1.00 0.00 C
402
+ ATOM 401 CD2 PHE A 49 3.617 21.552 27.382 1.00 0.00 C
403
+ ATOM 402 CE1 PHE A 49 0.895 21.348 27.856 1.00 0.00 C
404
+ ATOM 403 CE2 PHE A 49 2.954 22.560 28.076 1.00 0.00 C
405
+ ATOM 404 CZ PHE A 49 1.593 22.457 28.311 1.00 0.00 C
406
+ ATOM 405 N PRO A 50 6.393 19.071 27.677 1.00 0.00 N
407
+ ATOM 406 CA PRO A 50 7.337 19.685 28.612 1.00 0.00 C
408
+ ATOM 407 C PRO A 50 7.011 21.148 28.904 1.00 0.00 C
409
+ ATOM 408 CB PRO A 50 8.681 19.559 27.890 1.00 0.00 C
410
+ ATOM 409 O PRO A 50 6.847 21.945 27.976 1.00 0.00 O
411
+ ATOM 410 CG PRO A 50 8.413 18.634 26.747 1.00 0.00 C
412
+ ATOM 411 CD PRO A 50 6.950 18.693 26.416 1.00 0.00 C
413
+ ATOM 412 N SER A 51 7.039 21.568 30.170 1.00 0.00 N
414
+ ATOM 413 CA SER A 51 6.612 22.904 30.574 1.00 0.00 C
415
+ ATOM 414 C SER A 51 7.563 23.973 30.044 1.00 0.00 C
416
+ ATOM 415 CB SER A 51 6.520 23.001 32.097 1.00 0.00 C
417
+ ATOM 416 O SER A 51 7.152 25.108 29.793 1.00 0.00 O
418
+ ATOM 417 OG SER A 51 7.797 22.827 32.690 1.00 0.00 O
419
+ ATOM 418 N ASN A 52 8.799 23.507 29.839 1.00 0.00 N
420
+ ATOM 419 CA ASN A 52 9.803 24.468 29.394 1.00 0.00 C
421
+ ATOM 420 C ASN A 52 9.764 24.656 27.879 1.00 0.00 C
422
+ ATOM 421 CB ASN A 52 11.199 24.032 29.839 1.00 0.00 C
423
+ ATOM 422 O ASN A 52 10.590 25.379 27.318 1.00 0.00 O
424
+ ATOM 423 CG ASN A 52 11.610 22.697 29.251 1.00 0.00 C
425
+ ATOM 424 ND2 ASN A 52 12.912 22.500 29.079 1.00 0.00 N
426
+ ATOM 425 OD1 ASN A 52 10.764 21.849 28.954 1.00 0.00 O
427
+ ATOM 426 N PHE A 53 8.878 24.112 27.188 1.00 0.00 N
428
+ ATOM 427 CA PHE A 53 8.740 24.284 25.747 1.00 0.00 C
429
+ ATOM 428 C PHE A 53 7.735 25.385 25.427 1.00 0.00 C
430
+ ATOM 429 CB PHE A 53 8.310 22.972 25.086 1.00 0.00 C
431
+ ATOM 430 O PHE A 53 7.417 25.622 24.259 1.00 0.00 O
432
+ ATOM 431 CG PHE A 53 9.458 22.067 24.727 1.00 0.00 C
433
+ ATOM 432 CD1 PHE A 53 10.668 22.155 25.405 1.00 0.00 C
434
+ ATOM 433 CD2 PHE A 53 9.327 21.128 23.713 1.00 0.00 C
435
+ ATOM 434 CE1 PHE A 53 11.733 21.319 25.075 1.00 0.00 C
436
+ ATOM 435 CE2 PHE A 53 10.386 20.290 23.377 1.00 0.00 C
437
+ ATOM 436 CZ PHE A 53 11.588 20.388 24.059 1.00 0.00 C
438
+ ATOM 437 N VAL A 54 7.240 26.024 26.435 1.00 0.00 N
439
+ ATOM 438 CA VAL A 54 6.200 27.013 26.181 1.00 0.00 C
440
+ ATOM 439 C VAL A 54 6.496 28.290 26.965 1.00 0.00 C
441
+ ATOM 440 CB VAL A 54 4.800 26.474 26.552 1.00 0.00 C
442
+ ATOM 441 O VAL A 54 7.344 28.292 27.862 1.00 0.00 O
443
+ ATOM 442 CG1 VAL A 54 4.467 25.228 25.733 1.00 0.00 C
444
+ ATOM 443 CG2 VAL A 54 4.725 26.169 28.047 1.00 0.00 C
445
+ ATOM 444 N THR A 55 5.739 29.354 26.629 1.00 0.00 N
446
+ ATOM 445 CA THR A 55 5.759 30.614 27.363 1.00 0.00 C
447
+ ATOM 446 C THR A 55 4.344 31.040 27.745 1.00 0.00 C
448
+ ATOM 447 CB THR A 55 6.429 31.730 26.540 1.00 0.00 C
449
+ ATOM 448 O THR A 55 3.386 30.744 27.028 1.00 0.00 O
450
+ ATOM 449 CG2 THR A 55 5.644 32.019 25.264 1.00 0.00 C
451
+ ATOM 450 OG1 THR A 55 6.495 32.925 27.328 1.00 0.00 O
452
+ ATOM 451 N THR A 56 4.253 31.639 28.909 1.00 0.00 N
453
+ ATOM 452 CA THR A 56 3.000 32.243 29.351 1.00 0.00 C
454
+ ATOM 453 C THR A 56 2.902 33.691 28.879 1.00 0.00 C
455
+ ATOM 454 CB THR A 56 2.865 32.190 30.883 1.00 0.00 C
456
+ ATOM 455 O THR A 56 1.910 34.372 29.149 1.00 0.00 O
457
+ ATOM 456 CG2 THR A 56 2.879 30.751 31.388 1.00 0.00 C
458
+ ATOM 457 OG1 THR A 56 3.955 32.905 31.479 1.00 0.00 O
459
+ ATOM 458 N ASP A 57 4.005 34.143 28.346 1.00 0.00 N
460
+ ATOM 459 CA ASP A 57 3.993 35.517 27.852 1.00 0.00 C
461
+ ATOM 460 C ASP A 57 3.359 35.595 26.464 1.00 0.00 C
462
+ ATOM 461 CB ASP A 57 5.412 36.087 27.815 1.00 0.00 C
463
+ ATOM 462 O ASP A 57 3.986 35.229 25.469 1.00 0.00 O
464
+ ATOM 463 CG ASP A 57 6.028 36.234 29.195 1.00 0.00 C
465
+ ATOM 464 OD1 ASP A 57 5.278 36.398 30.182 1.00 0.00 O
466
+ ATOM 465 OD2 ASP A 57 7.273 36.189 29.295 1.00 0.00 O
467
+ ATOM 466 N LEU A 58 2.152 35.870 26.355 1.00 0.00 N
468
+ ATOM 467 CA LEU A 58 1.431 35.970 25.091 1.00 0.00 C
469
+ ATOM 468 C LEU A 58 1.333 37.422 24.634 1.00 0.00 C
470
+ ATOM 469 CB LEU A 58 0.028 35.370 25.225 1.00 0.00 C
471
+ ATOM 470 O LEU A 58 1.223 38.331 25.460 1.00 0.00 O
472
+ ATOM 471 CG LEU A 58 -0.042 33.876 25.545 1.00 0.00 C
473
+ ATOM 472 CD1 LEU A 58 -1.489 33.448 25.762 1.00 0.00 C
474
+ ATOM 473 CD2 LEU A 58 0.601 33.060 24.428 1.00 0.00 C
475
+ ATOM 474 OXT LEU A 58 1.416 37.006 23.504 1.00 0.00 O
476
+ TER 475 LEU A 58
477
+ END
1uj0/1uj0_protein_processed_fix.pdb ADDED
@@ -0,0 +1,912 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N MET A 1 -9.035 28.423 36.207 1.00 0.00 N
3
+ ATOM 2 CA MET A 1 -9.357 28.283 34.754 1.00 0.00 C
4
+ ATOM 3 C MET A 1 -8.145 27.789 33.971 1.00 0.00 C
5
+ ATOM 4 O MET A 1 -7.001 28.101 34.303 1.00 0.00 O
6
+ ATOM 5 CB MET A 1 -9.878 29.584 34.128 1.00 0.00 C
7
+ ATOM 6 CG MET A 1 -11.236 30.017 34.660 1.00 0.00 C
8
+ ATOM 7 SD MET A 1 -12.373 28.583 34.933 1.00 0.00 S
9
+ ATOM 8 CE MET A 1 -13.235 28.526 33.377 1.00 0.00 C
10
+ ATOM 9 HA MET A 1 -10.070 27.627 34.700 1.00 0.00 H
11
+ ATOM 10 HB2 MET A 1 -9.235 30.292 34.290 1.00 0.00 H
12
+ ATOM 11 HB3 MET A 1 -9.937 29.470 33.167 1.00 0.00 H
13
+ ATOM 12 HG2 MET A 1 -11.116 30.496 35.495 1.00 0.00 H
14
+ ATOM 13 HG3 MET A 1 -11.644 30.636 34.034 1.00 0.00 H
15
+ ATOM 14 HE1 MET A 1 -13.877 27.799 33.389 1.00 0.00 H
16
+ ATOM 15 HE2 MET A 1 -13.700 29.365 33.233 1.00 0.00 H
17
+ ATOM 16 HE3 MET A 1 -12.598 28.383 32.659 1.00 0.00 H
18
+ ATOM 17 N ALA A 2 -8.386 27.033 32.919 1.00 0.00 N
19
+ ATOM 18 CA ALA A 2 -7.252 26.637 32.077 1.00 0.00 C
20
+ ATOM 19 C ALA A 2 -6.667 27.879 31.350 1.00 0.00 C
21
+ ATOM 20 O ALA A 2 -7.381 28.673 30.736 1.00 0.00 O
22
+ ATOM 21 CB ALA A 2 -7.649 25.561 31.142 1.00 0.00 C
23
+ ATOM 22 H ALA A 2 -9.158 26.744 32.674 1.00 0.00 H
24
+ ATOM 23 HA ALA A 2 -6.547 26.274 32.635 1.00 0.00 H
25
+ ATOM 24 HB1 ALA A 2 -6.889 25.312 30.594 1.00 0.00 H
26
+ ATOM 25 HB2 ALA A 2 -7.951 24.789 31.646 1.00 0.00 H
27
+ ATOM 26 HB3 ALA A 2 -8.368 25.876 30.572 1.00 0.00 H
28
+ ATOM 27 N ARG A 3 -5.349 28.047 31.464 1.00 0.00 N
29
+ ATOM 28 CA ARG A 3 -4.638 29.196 30.914 1.00 0.00 C
30
+ ATOM 29 C ARG A 3 -4.020 28.820 29.580 1.00 0.00 C
31
+ ATOM 30 O ARG A 3 -3.853 27.653 29.307 1.00 0.00 O
32
+ ATOM 31 CB ARG A 3 -3.516 29.573 31.869 1.00 0.00 C
33
+ ATOM 32 CG ARG A 3 -2.674 28.422 32.371 1.00 0.00 C
34
+ ATOM 33 CD ARG A 3 -2.084 28.741 33.814 1.00 0.00 C
35
+ ATOM 34 NE ARG A 3 -1.054 27.775 34.205 1.00 0.00 N
36
+ ATOM 35 CZ ARG A 3 0.121 27.729 33.616 1.00 0.00 C
37
+ ATOM 36 NH1 ARG A 3 1.030 26.837 33.989 1.00 0.00 N
38
+ ATOM 37 NH2 ARG A 3 0.389 28.605 32.650 1.00 0.00 N
39
+ ATOM 38 H ARG A 3 -4.838 27.487 31.869 1.00 0.00 H
40
+ ATOM 39 HA ARG A 3 -5.255 29.935 30.796 1.00 0.00 H
41
+ ATOM 40 HB2 ARG A 3 -2.934 30.209 31.424 1.00 0.00 H
42
+ ATOM 41 HB3 ARG A 3 -3.902 30.028 32.633 1.00 0.00 H
43
+ ATOM 42 HG2 ARG A 3 -3.211 27.615 32.408 1.00 0.00 H
44
+ ATOM 43 HG3 ARG A 3 -1.948 28.252 31.750 1.00 0.00 H
45
+ ATOM 44 HD2 ARG A 3 -1.708 29.635 33.820 1.00 0.00 H
46
+ ATOM 45 HD3 ARG A 3 -2.802 28.731 34.467 1.00 0.00 H
47
+ ATOM 46 HE ARG A 3 -1.223 27.220 34.840 1.00 0.00 H
48
+ ATOM 47 HH11 ARG A 3 0.853 26.282 34.622 1.00 0.00 H
49
+ ATOM 48 HH12 ARG A 3 1.796 26.814 33.598 1.00 0.00 H
50
+ ATOM 49 HH21 ARG A 3 -0.201 29.187 32.422 1.00 0.00 H
51
+ ATOM 50 HH22 ARG A 3 1.152 28.589 32.254 1.00 0.00 H
52
+ ATOM 51 N ARG A 4 -3.725 29.811 28.742 1.00 0.00 N
53
+ ATOM 52 CA ARG A 4 -3.097 29.548 27.432 1.00 0.00 C
54
+ ATOM 53 C ARG A 4 -1.618 29.912 27.482 1.00 0.00 C
55
+ ATOM 54 O ARG A 4 -1.219 30.845 28.189 1.00 0.00 O
56
+ ATOM 55 CB ARG A 4 -3.732 30.373 26.298 1.00 0.00 C
57
+ ATOM 56 CG ARG A 4 -5.223 30.230 26.136 1.00 0.00 C
58
+ ATOM 57 CD ARG A 4 -5.652 28.919 25.545 1.00 0.00 C
59
+ ATOM 58 NE ARG A 4 -6.029 29.113 24.152 1.00 0.00 N
60
+ ATOM 59 CZ ARG A 4 -7.148 29.721 23.774 1.00 0.00 C
61
+ ATOM 60 NH1 ARG A 4 -7.404 29.886 22.493 1.00 0.00 N
62
+ ATOM 61 NH2 ARG A 4 -8.018 30.159 24.685 1.00 0.00 N
63
+ ATOM 62 H ARG A 4 -3.877 30.642 28.905 1.00 0.00 H
64
+ ATOM 63 HA ARG A 4 -3.228 28.604 27.250 1.00 0.00 H
65
+ ATOM 64 HB2 ARG A 4 -3.529 31.309 26.450 1.00 0.00 H
66
+ ATOM 65 HB3 ARG A 4 -3.308 30.122 25.462 1.00 0.00 H
67
+ ATOM 66 HG2 ARG A 4 -5.645 30.336 27.003 1.00 0.00 H
68
+ ATOM 67 HG3 ARG A 4 -5.548 30.950 25.573 1.00 0.00 H
69
+ ATOM 68 HD2 ARG A 4 -4.931 28.274 25.608 1.00 0.00 H
70
+ ATOM 69 HD3 ARG A 4 -6.400 28.557 26.045 1.00 0.00 H
71
+ ATOM 70 HE ARG A 4 -5.499 28.818 23.542 1.00 0.00 H
72
+ ATOM 71 HH11 ARG A 4 -6.847 29.600 21.903 1.00 0.00 H
73
+ ATOM 72 HH12 ARG A 4 -8.128 30.279 22.246 1.00 0.00 H
74
+ ATOM 73 HH21 ARG A 4 -7.856 30.048 25.522 1.00 0.00 H
75
+ ATOM 74 HH22 ARG A 4 -8.741 30.552 24.435 1.00 0.00 H
76
+ ATOM 75 N VAL A 5 -0.822 29.148 26.741 1.00 0.00 N
77
+ ATOM 76 CA VAL A 5 0.603 29.429 26.575 1.00 0.00 C
78
+ ATOM 77 C VAL A 5 0.935 29.263 25.078 1.00 0.00 C
79
+ ATOM 78 O VAL A 5 0.160 28.674 24.340 1.00 0.00 O
80
+ ATOM 79 CB VAL A 5 1.491 28.455 27.383 1.00 0.00 C
81
+ ATOM 80 CG1 VAL A 5 1.272 28.616 28.903 1.00 0.00 C
82
+ ATOM 81 CG2 VAL A 5 1.249 26.962 26.977 1.00 0.00 C
83
+ ATOM 82 H VAL A 5 -1.093 28.450 26.318 1.00 0.00 H
84
+ ATOM 83 HA VAL A 5 0.782 30.326 26.898 1.00 0.00 H
85
+ ATOM 84 HB VAL A 5 2.409 28.686 27.170 1.00 0.00 H
86
+ ATOM 85 HG11 VAL A 5 1.842 27.993 29.380 1.00 0.00 H
87
+ ATOM 86 HG12 VAL A 5 1.492 29.523 29.168 1.00 0.00 H
88
+ ATOM 87 HG13 VAL A 5 0.344 28.434 29.117 1.00 0.00 H
89
+ ATOM 88 HG21 VAL A 5 1.823 26.386 27.505 1.00 0.00 H
90
+ ATOM 89 HG22 VAL A 5 0.321 26.729 27.138 1.00 0.00 H
91
+ ATOM 90 HG23 VAL A 5 1.452 26.845 26.036 1.00 0.00 H
92
+ ATOM 91 N ARG A 6 2.083 29.760 24.655 1.00 0.00 N
93
+ ATOM 92 CA ARG A 6 2.536 29.618 23.278 1.00 0.00 C
94
+ ATOM 93 C ARG A 6 3.767 28.750 23.252 1.00 0.00 C
95
+ ATOM 94 O ARG A 6 4.614 28.835 24.128 1.00 0.00 O
96
+ ATOM 95 CB ARG A 6 2.921 30.985 22.695 1.00 0.00 C
97
+ ATOM 96 CG ARG A 6 1.767 31.832 22.344 1.00 0.00 C
98
+ ATOM 97 CD ARG A 6 1.651 32.095 20.808 1.00 0.00 C
99
+ ATOM 98 NE ARG A 6 0.442 32.863 20.619 1.00 0.00 N
100
+ ATOM 99 CZ ARG A 6 -0.528 32.570 19.791 1.00 0.00 C
101
+ ATOM 100 NH1 ARG A 6 -0.459 31.520 18.987 1.00 0.00 N
102
+ ATOM 101 NH2 ARG A 6 -1.601 33.350 19.769 1.00 0.00 N
103
+ ATOM 102 H ARG A 6 2.628 30.193 25.160 1.00 0.00 H
104
+ ATOM 103 HA ARG A 6 1.817 29.227 22.757 1.00 0.00 H
105
+ ATOM 104 HB2 ARG A 6 3.473 31.457 23.338 1.00 0.00 H
106
+ ATOM 105 HB3 ARG A 6 3.463 30.847 21.902 1.00 0.00 H
107
+ ATOM 106 HG2 ARG A 6 0.953 31.408 22.657 1.00 0.00 H
108
+ ATOM 107 HG3 ARG A 6 1.841 32.681 22.808 1.00 0.00 H
109
+ ATOM 108 HD2 ARG A 6 2.424 32.581 20.481 1.00 0.00 H
110
+ ATOM 109 HD3 ARG A 6 1.611 31.260 20.316 1.00 0.00 H
111
+ ATOM 110 HE ARG A 6 0.352 33.575 21.092 1.00 0.00 H
112
+ ATOM 111 HH11 ARG A 6 0.235 31.012 19.001 1.00 0.00 H
113
+ ATOM 112 HH12 ARG A 6 -1.108 31.346 18.451 1.00 0.00 H
114
+ ATOM 113 HH21 ARG A 6 -1.648 34.031 20.292 1.00 0.00 H
115
+ ATOM 114 HH22 ARG A 6 -2.249 33.174 19.232 1.00 0.00 H
116
+ ATOM 115 N ALA A 7 3.808 27.864 22.258 1.00 0.00 N
117
+ ATOM 116 CA ALA A 7 4.970 27.050 22.068 1.00 0.00 C
118
+ ATOM 117 C ALA A 7 6.204 27.826 21.575 1.00 0.00 C
119
+ ATOM 118 O ALA A 7 6.130 28.585 20.565 1.00 0.00 O
120
+ ATOM 119 CB ALA A 7 4.636 25.892 21.068 1.00 0.00 C
121
+ ATOM 120 H ALA A 7 3.172 27.730 21.695 1.00 0.00 H
122
+ ATOM 121 HA ALA A 7 5.206 26.698 22.941 1.00 0.00 H
123
+ ATOM 122 HB1 ALA A 7 5.423 25.339 20.938 1.00 0.00 H
124
+ ATOM 123 HB2 ALA A 7 3.917 25.350 21.429 1.00 0.00 H
125
+ ATOM 124 HB3 ALA A 7 4.362 26.268 20.217 1.00 0.00 H
126
+ ATOM 125 N LEU A 8 7.315 27.576 22.249 1.00 0.00 N
127
+ ATOM 126 CA LEU A 8 8.626 28.145 21.866 1.00 0.00 C
128
+ ATOM 127 C LEU A 8 9.354 27.236 20.861 1.00 0.00 C
129
+ ATOM 128 O LEU A 8 10.226 27.701 20.087 1.00 0.00 O
130
+ ATOM 129 CB LEU A 8 9.465 28.309 23.124 1.00 0.00 C
131
+ ATOM 130 CG LEU A 8 9.036 29.410 24.078 1.00 0.00 C
132
+ ATOM 131 CD1 LEU A 8 9.884 29.382 25.295 1.00 0.00 C
133
+ ATOM 132 CD2 LEU A 8 9.158 30.737 23.341 1.00 0.00 C
134
+ ATOM 133 H LEU A 8 7.344 27.072 22.945 1.00 0.00 H
135
+ ATOM 134 HA LEU A 8 8.489 29.004 21.438 1.00 0.00 H
136
+ ATOM 135 HB2 LEU A 8 9.458 27.468 23.607 1.00 0.00 H
137
+ ATOM 136 HB3 LEU A 8 10.383 28.476 22.859 1.00 0.00 H
138
+ ATOM 137 HG LEU A 8 8.118 29.285 24.365 1.00 0.00 H
139
+ ATOM 138 HD11 LEU A 8 9.605 30.087 25.900 1.00 0.00 H
140
+ ATOM 139 HD12 LEU A 8 9.790 28.523 25.735 1.00 0.00 H
141
+ ATOM 140 HD13 LEU A 8 10.812 29.518 25.046 1.00 0.00 H
142
+ ATOM 141 HD21 LEU A 8 8.889 31.460 23.929 1.00 0.00 H
143
+ ATOM 142 HD22 LEU A 8 10.078 30.871 23.065 1.00 0.00 H
144
+ ATOM 143 HD23 LEU A 8 8.584 30.727 22.559 1.00 0.00 H
145
+ ATOM 144 N TYR A 9 8.991 25.946 20.819 1.00 0.00 N
146
+ ATOM 145 CA TYR A 9 9.706 24.982 19.980 1.00 0.00 C
147
+ ATOM 146 C TYR A 9 8.692 23.985 19.460 1.00 0.00 C
148
+ ATOM 147 O TYR A 9 7.631 23.817 20.058 1.00 0.00 O
149
+ ATOM 148 CB TYR A 9 10.793 24.228 20.787 1.00 0.00 C
150
+ ATOM 149 CG TYR A 9 11.683 25.180 21.578 1.00 0.00 C
151
+ ATOM 150 CD1 TYR A 9 12.711 25.880 20.938 1.00 0.00 C
152
+ ATOM 151 CD2 TYR A 9 11.435 25.431 22.908 1.00 0.00 C
153
+ ATOM 152 CE1 TYR A 9 13.484 26.822 21.639 1.00 0.00 C
154
+ ATOM 153 CE2 TYR A 9 12.165 26.340 23.603 1.00 0.00 C
155
+ ATOM 154 CZ TYR A 9 13.203 27.022 22.986 1.00 0.00 C
156
+ ATOM 155 OH TYR A 9 13.928 27.935 23.739 1.00 0.00 O
157
+ ATOM 156 H TYR A 9 8.337 25.614 21.267 1.00 0.00 H
158
+ ATOM 157 HA TYR A 9 10.147 25.452 19.255 1.00 0.00 H
159
+ ATOM 158 HB2 TYR A 9 10.368 23.604 21.396 1.00 0.00 H
160
+ ATOM 159 HB3 TYR A 9 11.340 23.705 20.180 1.00 0.00 H
161
+ ATOM 160 HD1 TYR A 9 12.885 25.720 20.038 1.00 0.00 H
162
+ ATOM 161 HD2 TYR A 9 10.753 24.968 23.339 1.00 0.00 H
163
+ ATOM 162 HE1 TYR A 9 14.162 27.297 21.215 1.00 0.00 H
164
+ ATOM 163 HE2 TYR A 9 11.968 26.506 24.497 1.00 0.00 H
165
+ ATOM 164 HH TYR A 9 13.735 27.844 24.552 1.00 0.00 H
166
+ ATOM 165 N ASP A 10 9.041 23.283 18.395 1.00 0.00 N
167
+ ATOM 166 CA ASP A 10 8.315 22.099 17.998 1.00 0.00 C
168
+ ATOM 167 C ASP A 10 8.521 20.979 19.032 1.00 0.00 C
169
+ ATOM 168 O ASP A 10 9.595 20.846 19.670 1.00 0.00 O
170
+ ATOM 169 CB ASP A 10 8.842 21.546 16.666 1.00 0.00 C
171
+ ATOM 170 CG ASP A 10 8.603 22.440 15.497 1.00 0.00 C
172
+ ATOM 171 OD1 ASP A 10 9.180 22.097 14.421 1.00 0.00 O
173
+ ATOM 172 OD2 ASP A 10 7.857 23.451 15.512 1.00 0.00 O
174
+ ATOM 173 H ASP A 10 9.704 23.481 17.885 1.00 0.00 H
175
+ ATOM 174 HA ASP A 10 7.382 22.355 17.922 1.00 0.00 H
176
+ ATOM 175 HB2 ASP A 10 9.795 21.385 16.748 1.00 0.00 H
177
+ ATOM 176 HB3 ASP A 10 8.423 20.688 16.495 1.00 0.00 H
178
+ ATOM 177 N PHE A 11 7.470 20.189 19.213 1.00 0.00 N
179
+ ATOM 178 CA PHE A 11 7.580 18.953 20.042 1.00 0.00 C
180
+ ATOM 179 C PHE A 11 6.730 17.890 19.402 1.00 0.00 C
181
+ ATOM 180 O PHE A 11 5.499 18.046 19.285 1.00 0.00 O
182
+ ATOM 181 CB PHE A 11 7.049 19.232 21.460 1.00 0.00 C
183
+ ATOM 182 CG PHE A 11 7.070 18.054 22.385 1.00 0.00 C
184
+ ATOM 183 CD1 PHE A 11 5.872 17.387 22.726 1.00 0.00 C
185
+ ATOM 184 CD2 PHE A 11 8.270 17.618 22.940 1.00 0.00 C
186
+ ATOM 185 CE1 PHE A 11 5.907 16.301 23.629 1.00 0.00 C
187
+ ATOM 186 CE2 PHE A 11 8.334 16.526 23.800 1.00 0.00 C
188
+ ATOM 187 CZ PHE A 11 7.147 15.853 24.149 1.00 0.00 C
189
+ ATOM 188 H PHE A 11 6.691 20.332 18.879 1.00 0.00 H
190
+ ATOM 189 HA PHE A 11 8.506 18.668 20.098 1.00 0.00 H
191
+ ATOM 190 HB2 PHE A 11 7.576 19.945 21.854 1.00 0.00 H
192
+ ATOM 191 HB3 PHE A 11 6.138 19.557 21.392 1.00 0.00 H
193
+ ATOM 192 HD1 PHE A 11 5.064 17.662 22.357 1.00 0.00 H
194
+ ATOM 193 HD2 PHE A 11 9.054 18.071 22.729 1.00 0.00 H
195
+ ATOM 194 HE1 PHE A 11 5.117 15.880 23.882 1.00 0.00 H
196
+ ATOM 195 HE2 PHE A 11 9.152 16.244 24.141 1.00 0.00 H
197
+ ATOM 196 HZ PHE A 11 7.177 15.118 24.718 1.00 0.00 H
198
+ ATOM 197 N GLU A 12 7.342 16.764 19.020 1.00 0.00 N
199
+ ATOM 198 CA GLU A 12 6.572 15.662 18.448 1.00 0.00 C
200
+ ATOM 199 C GLU A 12 6.391 14.556 19.481 1.00 0.00 C
201
+ ATOM 200 O GLU A 12 7.387 14.041 20.009 1.00 0.00 O
202
+ ATOM 201 CB GLU A 12 7.275 15.107 17.190 1.00 0.00 C
203
+ ATOM 202 CG GLU A 12 6.602 13.856 16.644 1.00 0.00 C
204
+ ATOM 203 CD GLU A 12 5.348 14.155 15.851 1.00 0.00 C
205
+ ATOM 204 OE1 GLU A 12 5.434 14.873 14.848 1.00 0.00 O
206
+ ATOM 205 OE2 GLU A 12 4.257 13.673 16.214 1.00 0.00 O
207
+ ATOM 206 H GLU A 12 8.188 16.622 19.083 1.00 0.00 H
208
+ ATOM 207 HA GLU A 12 5.699 15.997 18.190 1.00 0.00 H
209
+ ATOM 208 HB2 GLU A 12 7.285 15.791 16.502 1.00 0.00 H
210
+ ATOM 209 HB3 GLU A 12 8.200 14.905 17.403 1.00 0.00 H
211
+ ATOM 210 HG2 GLU A 12 7.229 13.378 16.079 1.00 0.00 H
212
+ ATOM 211 HG3 GLU A 12 6.379 13.267 17.382 1.00 0.00 H
213
+ ATOM 212 N ALA A 13 5.144 14.237 19.825 1.00 0.00 N
214
+ ATOM 213 CA ALA A 13 4.820 13.182 20.763 1.00 0.00 C
215
+ ATOM 214 C ALA A 13 5.520 11.867 20.380 1.00 0.00 C
216
+ ATOM 215 O ALA A 13 5.536 11.471 19.186 1.00 0.00 O
217
+ ATOM 216 CB ALA A 13 3.299 12.948 20.787 1.00 0.00 C
218
+ ATOM 217 H ALA A 13 4.453 14.640 19.509 1.00 0.00 H
219
+ ATOM 218 HA ALA A 13 5.128 13.459 21.640 1.00 0.00 H
220
+ ATOM 219 HB1 ALA A 13 3.090 12.241 21.417 1.00 0.00 H
221
+ ATOM 220 HB2 ALA A 13 2.850 13.764 21.057 1.00 0.00 H
222
+ ATOM 221 HB3 ALA A 13 2.997 12.691 19.902 1.00 0.00 H
223
+ ATOM 222 N VAL A 14 6.117 11.201 21.360 1.00 0.00 N
224
+ ATOM 223 CA VAL A 14 6.684 9.867 21.108 1.00 0.00 C
225
+ ATOM 224 C VAL A 14 5.798 8.787 21.745 1.00 0.00 C
226
+ ATOM 225 O VAL A 14 5.618 7.733 21.152 1.00 0.00 O
227
+ ATOM 226 CB VAL A 14 8.117 9.723 21.613 1.00 0.00 C
228
+ ATOM 227 CG1 VAL A 14 8.955 10.779 21.029 1.00 0.00 C
229
+ ATOM 228 CG2 VAL A 14 8.136 9.769 23.110 1.00 0.00 C
230
+ ATOM 229 H VAL A 14 6.207 11.490 22.165 1.00 0.00 H
231
+ ATOM 230 HA VAL A 14 6.709 9.753 20.145 1.00 0.00 H
232
+ ATOM 231 HB VAL A 14 8.478 8.866 21.338 1.00 0.00 H
233
+ ATOM 232 HG11 VAL A 14 9.865 10.686 21.351 1.00 0.00 H
234
+ ATOM 233 HG12 VAL A 14 8.945 10.702 20.062 1.00 0.00 H
235
+ ATOM 234 HG13 VAL A 14 8.609 11.647 21.287 1.00 0.00 H
236
+ ATOM 235 HG21 VAL A 14 9.049 9.677 23.425 1.00 0.00 H
237
+ ATOM 236 HG22 VAL A 14 7.774 10.616 23.413 1.00 0.00 H
238
+ ATOM 237 HG23 VAL A 14 7.598 9.043 23.463 1.00 0.00 H
239
+ ATOM 238 N GLU A 15 5.291 9.043 22.947 1.00 0.00 N
240
+ ATOM 239 CA GLU A 15 4.370 8.142 23.647 1.00 0.00 C
241
+ ATOM 240 C GLU A 15 2.942 8.622 23.353 1.00 0.00 C
242
+ ATOM 241 O GLU A 15 2.737 9.805 22.986 1.00 0.00 O
243
+ ATOM 242 CB GLU A 15 4.664 8.124 25.165 1.00 0.00 C
244
+ ATOM 243 CG GLU A 15 6.098 7.727 25.553 1.00 0.00 C
245
+ ATOM 244 CD GLU A 15 6.409 7.695 27.062 1.00 0.00 C
246
+ ATOM 245 OE1 GLU A 15 7.611 7.684 27.441 1.00 0.00 O
247
+ ATOM 246 OE2 GLU A 15 5.477 7.691 27.896 1.00 0.00 O
248
+ ATOM 247 H GLU A 15 5.474 9.757 23.389 1.00 0.00 H
249
+ ATOM 248 HA GLU A 15 4.482 7.230 23.336 1.00 0.00 H
250
+ ATOM 249 HB2 GLU A 15 4.480 9.005 25.525 1.00 0.00 H
251
+ ATOM 250 HB3 GLU A 15 4.047 7.509 25.591 1.00 0.00 H
252
+ ATOM 251 HG2 GLU A 15 6.282 6.849 25.185 1.00 0.00 H
253
+ ATOM 252 HG3 GLU A 15 6.712 8.346 25.128 1.00 0.00 H
254
+ ATOM 253 N ASP A 16 1.973 7.705 23.508 1.00 0.00 N
255
+ ATOM 254 CA ASP A 16 0.574 7.959 23.212 1.00 0.00 C
256
+ ATOM 255 C ASP A 16 0.005 9.064 24.093 1.00 0.00 C
257
+ ATOM 256 O ASP A 16 -0.908 9.759 23.671 1.00 0.00 O
258
+ ATOM 257 CB ASP A 16 -0.309 6.622 23.369 1.00 0.00 C
259
+ ATOM 258 H ASP A 16 2.124 6.908 23.793 1.00 0.00 H
260
+ ATOM 259 HA ASP A 16 0.531 8.253 22.289 1.00 0.00 H
261
+ ATOM 260 CG ASP A 16 0.021 5.767 24.617 1.00 0.00 C
262
+ ATOM 261 OD1 ASP A 16 0.179 6.529 25.688 1.00 0.00 O
263
+ ATOM 262 OD2 ASP A 16 -0.697 4.797 24.676 1.00 0.00 O
264
+ ATOM 263 N ASN A 17 0.508 9.173 25.321 1.00 0.00 N
265
+ ATOM 264 CA ASN A 17 -0.012 10.155 26.291 1.00 0.00 C
266
+ ATOM 265 C ASN A 17 0.598 11.559 26.134 1.00 0.00 C
267
+ ATOM 266 O ASN A 17 0.369 12.408 27.001 1.00 0.00 O
268
+ ATOM 267 CB ASN A 17 0.163 9.731 27.763 1.00 0.00 C
269
+ ATOM 268 CG ASN A 17 1.616 9.640 28.186 1.00 0.00 C
270
+ ATOM 269 OD1 ASN A 17 2.543 9.987 27.440 1.00 0.00 O
271
+ ATOM 270 ND2 ASN A 17 1.830 9.151 29.420 1.00 0.00 N
272
+ ATOM 271 H ASN A 17 1.153 8.689 25.619 1.00 0.00 H
273
+ ATOM 272 HA ASN A 17 -0.958 10.186 26.077 1.00 0.00 H
274
+ ATOM 273 HB2 ASN A 17 -0.295 10.367 28.334 1.00 0.00 H
275
+ ATOM 274 HB3 ASN A 17 -0.262 8.870 27.899 1.00 0.00 H
276
+ ATOM 275 HD21 ASN A 17 2.633 9.070 29.717 1.00 0.00 H
277
+ ATOM 276 HD22 ASN A 17 1.164 8.919 29.912 1.00 0.00 H
278
+ ATOM 277 N GLU A 18 1.400 11.752 25.102 1.00 0.00 N
279
+ ATOM 278 CA GLU A 18 2.038 13.077 24.846 1.00 0.00 C
280
+ ATOM 279 C GLU A 18 1.281 13.841 23.776 1.00 0.00 C
281
+ ATOM 280 O GLU A 18 0.594 13.245 22.945 1.00 0.00 O
282
+ ATOM 281 CB GLU A 18 3.474 12.899 24.401 1.00 0.00 C
283
+ ATOM 282 CG GLU A 18 4.361 12.459 25.557 1.00 0.00 C
284
+ ATOM 283 CD GLU A 18 5.766 12.103 25.157 1.00 0.00 C
285
+ ATOM 284 OE1 GLU A 18 6.160 12.301 23.996 1.00 0.00 O
286
+ ATOM 285 OE2 GLU A 18 6.517 11.628 26.068 1.00 0.00 O
287
+ ATOM 286 H GLU A 18 1.600 11.144 24.528 1.00 0.00 H
288
+ ATOM 287 HA GLU A 18 2.016 13.580 25.675 1.00 0.00 H
289
+ ATOM 288 HB2 GLU A 18 3.515 12.240 23.690 1.00 0.00 H
290
+ ATOM 289 HB3 GLU A 18 3.807 13.733 24.034 1.00 0.00 H
291
+ ATOM 290 HG2 GLU A 18 4.394 13.171 26.215 1.00 0.00 H
292
+ ATOM 291 HG3 GLU A 18 3.954 11.692 25.989 1.00 0.00 H
293
+ ATOM 292 N LEU A 19 1.410 15.176 23.797 1.00 0.00 N
294
+ ATOM 293 CA LEU A 19 0.809 16.081 22.819 1.00 0.00 C
295
+ ATOM 294 C LEU A 19 1.813 16.535 21.805 1.00 0.00 C
296
+ ATOM 295 O LEU A 19 2.934 16.865 22.184 1.00 0.00 O
297
+ ATOM 296 CB LEU A 19 0.326 17.335 23.594 1.00 0.00 C
298
+ ATOM 297 CG LEU A 19 -0.437 18.364 22.761 1.00 0.00 C
299
+ ATOM 298 CD1 LEU A 19 -1.676 17.690 22.083 1.00 0.00 C
300
+ ATOM 299 CD2 LEU A 19 -0.843 19.563 23.708 1.00 0.00 C
301
+ ATOM 300 H LEU A 19 1.864 15.587 24.401 1.00 0.00 H
302
+ ATOM 301 HA LEU A 19 0.089 15.621 22.360 1.00 0.00 H
303
+ ATOM 302 HB2 LEU A 19 -0.243 17.046 24.325 1.00 0.00 H
304
+ ATOM 303 HB3 LEU A 19 1.098 17.769 23.990 1.00 0.00 H
305
+ ATOM 304 HG LEU A 19 0.116 18.712 22.045 1.00 0.00 H
306
+ ATOM 305 HD11 LEU A 19 -2.155 18.349 21.556 1.00 0.00 H
307
+ ATOM 306 HD12 LEU A 19 -1.377 16.970 21.506 1.00 0.00 H
308
+ ATOM 307 HD13 LEU A 19 -2.265 17.333 22.766 1.00 0.00 H
309
+ ATOM 308 HD21 LEU A 19 -1.330 20.229 23.197 1.00 0.00 H
310
+ ATOM 309 HD22 LEU A 19 -1.405 19.232 24.426 1.00 0.00 H
311
+ ATOM 310 HD23 LEU A 19 -0.044 19.965 24.083 1.00 0.00 H
312
+ ATOM 311 N THR A 20 1.437 16.600 20.527 1.00 0.00 N
313
+ ATOM 312 CA THR A 20 2.305 17.152 19.490 1.00 0.00 C
314
+ ATOM 313 C THR A 20 1.995 18.607 19.241 1.00 0.00 C
315
+ ATOM 314 O THR A 20 0.821 18.969 19.114 1.00 0.00 O
316
+ ATOM 315 CB THR A 20 2.094 16.356 18.195 1.00 0.00 C
317
+ ATOM 316 OG1 THR A 20 2.745 15.087 18.370 1.00 0.00 O
318
+ ATOM 317 CG2 THR A 20 2.748 17.056 16.991 1.00 0.00 C
319
+ ATOM 318 H THR A 20 0.674 16.326 20.239 1.00 0.00 H
320
+ ATOM 319 HA THR A 20 3.227 17.085 19.784 1.00 0.00 H
321
+ ATOM 320 HB THR A 20 1.143 16.271 18.024 1.00 0.00 H
322
+ ATOM 321 HG1 THR A 20 3.169 14.891 17.672 1.00 0.00 H
323
+ ATOM 322 HG21 THR A 20 2.598 16.530 16.190 1.00 0.00 H
324
+ ATOM 323 HG22 THR A 20 2.358 17.937 16.877 1.00 0.00 H
325
+ ATOM 324 HG23 THR A 20 3.702 17.143 17.146 1.00 0.00 H
326
+ ATOM 325 N PHE A 21 3.011 19.435 19.161 1.00 0.00 N
327
+ ATOM 326 CA PHE A 21 2.756 20.830 18.810 1.00 0.00 C
328
+ ATOM 327 C PHE A 21 3.903 21.454 18.025 1.00 0.00 C
329
+ ATOM 328 O PHE A 21 4.997 20.895 17.948 1.00 0.00 O
330
+ ATOM 329 CB PHE A 21 2.401 21.654 20.053 1.00 0.00 C
331
+ ATOM 330 CG PHE A 21 3.427 21.640 21.140 1.00 0.00 C
332
+ ATOM 331 CD1 PHE A 21 4.575 22.437 21.059 1.00 0.00 C
333
+ ATOM 332 CD2 PHE A 21 3.205 20.897 22.298 1.00 0.00 C
334
+ ATOM 333 CE1 PHE A 21 5.516 22.456 22.123 1.00 0.00 C
335
+ ATOM 334 CE2 PHE A 21 4.132 20.922 23.350 1.00 0.00 C
336
+ ATOM 335 CZ PHE A 21 5.308 21.752 23.245 1.00 0.00 C
337
+ ATOM 336 H PHE A 21 3.834 19.229 19.299 1.00 0.00 H
338
+ ATOM 337 HA PHE A 21 1.988 20.839 18.218 1.00 0.00 H
339
+ ATOM 338 HB2 PHE A 21 2.250 22.573 19.782 1.00 0.00 H
340
+ ATOM 339 HB3 PHE A 21 1.563 21.324 20.414 1.00 0.00 H
341
+ ATOM 340 HD1 PHE A 21 4.723 22.958 20.303 1.00 0.00 H
342
+ ATOM 341 HD2 PHE A 21 2.436 20.380 22.374 1.00 0.00 H
343
+ ATOM 342 HE1 PHE A 21 6.290 22.965 22.040 1.00 0.00 H
344
+ ATOM 343 HE2 PHE A 21 3.990 20.407 24.111 1.00 0.00 H
345
+ ATOM 344 HZ PHE A 21 5.915 21.798 23.948 1.00 0.00 H
346
+ ATOM 345 N LYS A 22 3.661 22.656 17.486 1.00 0.00 N
347
+ ATOM 346 CA LYS A 22 4.631 23.333 16.626 1.00 0.00 C
348
+ ATOM 347 C LYS A 22 4.923 24.718 17.193 1.00 0.00 C
349
+ ATOM 348 O LYS A 22 4.050 25.358 17.782 1.00 0.00 O
350
+ ATOM 349 CB LYS A 22 4.107 23.433 15.166 1.00 0.00 C
351
+ ATOM 350 CG LYS A 22 3.688 22.062 14.607 1.00 0.00 C
352
+ ATOM 351 CD LYS A 22 4.882 21.104 14.569 1.00 0.00 C
353
+ ATOM 352 CE LYS A 22 4.510 19.741 13.954 1.00 0.00 C
354
+ ATOM 353 NZ LYS A 22 4.846 19.851 12.495 1.00 0.00 N
355
+ ATOM 354 H LYS A 22 2.933 23.096 17.610 1.00 0.00 H
356
+ ATOM 355 HA LYS A 22 5.451 22.816 16.605 1.00 0.00 H
357
+ ATOM 356 HB2 LYS A 22 3.350 24.038 15.136 1.00 0.00 H
358
+ ATOM 357 HB3 LYS A 22 4.797 23.814 14.601 1.00 0.00 H
359
+ ATOM 358 HG2 LYS A 22 2.983 21.685 15.157 1.00 0.00 H
360
+ ATOM 359 HG3 LYS A 22 3.325 22.169 13.714 1.00 0.00 H
361
+ ATOM 360 HD2 LYS A 22 5.601 21.504 14.055 1.00 0.00 H
362
+ ATOM 361 HD3 LYS A 22 5.217 20.971 15.469 1.00 0.00 H
363
+ ATOM 362 HE2 LYS A 22 5.008 19.022 14.373 1.00 0.00 H
364
+ ATOM 363 HE3 LYS A 22 3.568 19.546 14.081 1.00 0.00 H
365
+ ATOM 364 HZ1 LYS A 22 4.610 19.101 12.078 1.00 0.00 H
366
+ ATOM 365 HZ2 LYS A 22 4.406 20.539 12.140 1.00 0.00 H
367
+ ATOM 366 HZ3 LYS A 22 5.722 19.979 12.401 1.00 0.00 H
368
+ ATOM 367 N HIS A 23 6.139 25.189 16.955 1.00 0.00 N
369
+ ATOM 368 CA HIS A 23 6.578 26.535 17.343 1.00 0.00 C
370
+ ATOM 369 C HIS A 23 5.529 27.579 16.981 1.00 0.00 C
371
+ ATOM 370 O HIS A 23 5.014 27.547 15.867 1.00 0.00 O
372
+ ATOM 371 CB HIS A 23 7.878 26.903 16.578 1.00 0.00 C
373
+ ATOM 372 CG HIS A 23 8.309 28.334 16.735 1.00 0.00 C
374
+ ATOM 373 ND1 HIS A 23 8.427 29.191 15.662 1.00 0.00 N
375
+ ATOM 374 CD2 HIS A 23 8.660 29.056 17.830 1.00 0.00 C
376
+ ATOM 375 CE1 HIS A 23 8.823 30.381 16.086 1.00 0.00 C
377
+ ATOM 376 NE2 HIS A 23 8.973 30.327 17.399 1.00 0.00 N
378
+ ATOM 377 H HIS A 23 6.748 24.731 16.556 1.00 0.00 H
379
+ ATOM 378 HA HIS A 23 6.723 26.530 18.302 1.00 0.00 H
380
+ ATOM 379 HB2 HIS A 23 8.595 26.326 16.885 1.00 0.00 H
381
+ ATOM 380 HB3 HIS A 23 7.748 26.718 15.635 1.00 0.00 H
382
+ ATOM 381 HD1 HIS A 23 8.268 28.984 14.843 1.00 0.00 H
383
+ ATOM 382 HD2 HIS A 23 8.685 28.750 18.708 1.00 0.00 H
384
+ ATOM 383 HE1 HIS A 23 8.971 31.128 15.552 1.00 0.00 H
385
+ ATOM 384 HE2 HIS A 23 9.225 30.978 17.901 1.00 0.00 H
386
+ ATOM 385 N GLY A 24 5.160 28.434 17.942 1.00 0.00 N
387
+ ATOM 386 CA GLY A 24 4.219 29.500 17.653 1.00 0.00 C
388
+ ATOM 387 C GLY A 24 2.746 29.207 17.913 1.00 0.00 C
389
+ ATOM 388 O GLY A 24 1.938 30.136 17.934 1.00 0.00 O
390
+ ATOM 389 H GLY A 24 5.443 28.408 18.754 1.00 0.00 H
391
+ ATOM 390 HA2 GLY A 24 4.470 30.275 18.179 1.00 0.00 H
392
+ ATOM 391 HA3 GLY A 24 4.318 29.746 16.720 1.00 0.00 H
393
+ ATOM 392 N GLU A 25 2.384 27.924 18.077 1.00 0.00 N
394
+ ATOM 393 CA GLU A 25 1.029 27.517 18.344 1.00 0.00 C
395
+ ATOM 394 C GLU A 25 0.583 27.780 19.789 1.00 0.00 C
396
+ ATOM 395 O GLU A 25 1.401 27.887 20.704 1.00 0.00 O
397
+ ATOM 396 CB GLU A 25 0.801 26.043 18.020 1.00 0.00 C
398
+ ATOM 397 CG GLU A 25 1.042 25.662 16.574 1.00 0.00 C
399
+ ATOM 398 CD GLU A 25 0.779 24.205 16.325 1.00 0.00 C
400
+ ATOM 399 OE1 GLU A 25 0.504 23.796 15.186 1.00 0.00 O
401
+ ATOM 400 OE2 GLU A 25 0.858 23.426 17.315 1.00 0.00 O
402
+ ATOM 401 H GLU A 25 2.939 27.269 18.032 1.00 0.00 H
403
+ ATOM 402 HA GLU A 25 0.488 28.069 17.758 1.00 0.00 H
404
+ ATOM 403 HB2 GLU A 25 1.382 25.508 18.583 1.00 0.00 H
405
+ ATOM 404 HB3 GLU A 25 -0.111 25.812 18.254 1.00 0.00 H
406
+ ATOM 405 HG2 GLU A 25 0.470 26.196 16.000 1.00 0.00 H
407
+ ATOM 406 HG3 GLU A 25 1.959 25.870 16.334 1.00 0.00 H
408
+ ATOM 407 N LEU A 26 -0.716 27.883 19.950 1.00 0.00 N
409
+ ATOM 408 CA LEU A 26 -1.326 28.047 21.265 1.00 0.00 C
410
+ ATOM 409 C LEU A 26 -1.578 26.657 21.850 1.00 0.00 C
411
+ ATOM 410 O LEU A 26 -1.961 25.736 21.133 1.00 0.00 O
412
+ ATOM 411 CB LEU A 26 -2.667 28.789 21.100 1.00 0.00 C
413
+ ATOM 412 CG LEU A 26 -3.028 29.860 22.145 1.00 0.00 C
414
+ ATOM 413 CD1 LEU A 26 -1.933 30.863 22.460 1.00 0.00 C
415
+ ATOM 414 CD2 LEU A 26 -4.317 30.566 21.630 1.00 0.00 C
416
+ ATOM 415 H LEU A 26 -1.280 27.861 19.301 1.00 0.00 H
417
+ ATOM 416 HA LEU A 26 -0.746 28.555 21.854 1.00 0.00 H
418
+ ATOM 417 HB2 LEU A 26 -2.668 29.212 20.227 1.00 0.00 H
419
+ ATOM 418 HB3 LEU A 26 -3.376 28.127 21.095 1.00 0.00 H
420
+ ATOM 419 HG LEU A 26 -3.164 29.416 22.997 1.00 0.00 H
421
+ ATOM 420 HD11 LEU A 26 -2.253 31.493 23.125 1.00 0.00 H
422
+ ATOM 421 HD12 LEU A 26 -1.156 30.396 22.805 1.00 0.00 H
423
+ ATOM 422 HD13 LEU A 26 -1.690 31.341 21.652 1.00 0.00 H
424
+ ATOM 423 HD21 LEU A 26 -4.584 31.253 22.260 1.00 0.00 H
425
+ ATOM 424 HD22 LEU A 26 -4.141 30.971 20.766 1.00 0.00 H
426
+ ATOM 425 HD23 LEU A 26 -5.030 29.914 21.542 1.00 0.00 H
427
+ ATOM 426 N ILE A 27 -1.318 26.521 23.119 1.00 0.00 N
428
+ ATOM 427 CA ILE A 27 -1.706 25.350 23.899 1.00 0.00 C
429
+ ATOM 428 C ILE A 27 -2.527 25.814 25.078 1.00 0.00 C
430
+ ATOM 429 O ILE A 27 -2.147 26.779 25.763 1.00 0.00 O
431
+ ATOM 430 CB ILE A 27 -0.454 24.595 24.410 1.00 0.00 C
432
+ ATOM 431 CG1 ILE A 27 0.414 24.199 23.195 1.00 0.00 C
433
+ ATOM 432 CG2 ILE A 27 -0.856 23.388 25.317 1.00 0.00 C
434
+ ATOM 433 CD1 ILE A 27 1.901 23.942 23.533 1.00 0.00 C
435
+ ATOM 434 H ILE A 27 -0.900 27.116 23.578 1.00 0.00 H
436
+ ATOM 435 HA ILE A 27 -2.220 24.747 23.340 1.00 0.00 H
437
+ ATOM 436 HB ILE A 27 0.081 25.170 24.979 1.00 0.00 H
438
+ ATOM 437 HG12 ILE A 27 0.042 23.399 22.792 1.00 0.00 H
439
+ ATOM 438 HG13 ILE A 27 0.361 24.903 22.530 1.00 0.00 H
440
+ ATOM 439 HG21 ILE A 27 -0.056 22.933 25.623 1.00 0.00 H
441
+ ATOM 440 HG22 ILE A 27 -1.357 23.711 26.082 1.00 0.00 H
442
+ ATOM 441 HG23 ILE A 27 -1.405 22.770 24.809 1.00 0.00 H
443
+ ATOM 442 HD11 ILE A 27 2.380 23.700 22.725 1.00 0.00 H
444
+ ATOM 443 HD12 ILE A 27 2.291 24.746 23.910 1.00 0.00 H
445
+ ATOM 444 HD13 ILE A 27 1.967 23.219 24.176 1.00 0.00 H
446
+ ATOM 445 N THR A 28 -3.619 25.115 25.380 1.00 0.00 N
447
+ ATOM 446 CA THR A 28 -4.308 25.326 26.642 1.00 0.00 C
448
+ ATOM 447 C THR A 28 -3.718 24.381 27.719 1.00 0.00 C
449
+ ATOM 448 O THR A 28 -3.696 23.143 27.524 1.00 0.00 O
450
+ ATOM 449 CB THR A 28 -5.861 25.069 26.451 1.00 0.00 C
451
+ ATOM 450 OG1 THR A 28 -6.338 26.063 25.540 1.00 0.00 O
452
+ ATOM 451 CG2 THR A 28 -6.617 25.330 27.744 1.00 0.00 C
453
+ ATOM 452 H THR A 28 -3.972 24.519 24.870 1.00 0.00 H
454
+ ATOM 453 HA THR A 28 -4.184 26.242 26.935 1.00 0.00 H
455
+ ATOM 454 HB THR A 28 -5.993 24.155 26.154 1.00 0.00 H
456
+ ATOM 455 HG1 THR A 28 -6.035 25.908 24.772 1.00 0.00 H
457
+ ATOM 456 HG21 THR A 28 -7.563 25.167 27.605 1.00 0.00 H
458
+ ATOM 457 HG22 THR A 28 -6.286 24.738 28.438 1.00 0.00 H
459
+ ATOM 458 HG23 THR A 28 -6.485 26.252 28.016 1.00 0.00 H
460
+ ATOM 459 N VAL A 29 -3.297 24.945 28.854 1.00 0.00 N
461
+ ATOM 460 CA VAL A 29 -2.771 24.153 29.941 1.00 0.00 C
462
+ ATOM 461 C VAL A 29 -3.923 23.646 30.787 1.00 0.00 C
463
+ ATOM 462 O VAL A 29 -4.607 24.471 31.426 1.00 0.00 O
464
+ ATOM 463 CB VAL A 29 -1.807 24.999 30.802 1.00 0.00 C
465
+ ATOM 464 CG1 VAL A 29 -1.159 24.163 31.930 1.00 0.00 C
466
+ ATOM 465 CG2 VAL A 29 -0.691 25.509 29.944 1.00 0.00 C
467
+ ATOM 466 H VAL A 29 -3.312 25.792 29.005 1.00 0.00 H
468
+ ATOM 467 HA VAL A 29 -2.277 23.399 29.582 1.00 0.00 H
469
+ ATOM 468 HB VAL A 29 -2.328 25.720 31.189 1.00 0.00 H
470
+ ATOM 469 HG11 VAL A 29 -0.562 24.726 32.448 1.00 0.00 H
471
+ ATOM 470 HG12 VAL A 29 -1.852 23.808 32.509 1.00 0.00 H
472
+ ATOM 471 HG13 VAL A 29 -0.656 23.430 31.542 1.00 0.00 H
473
+ ATOM 472 HG21 VAL A 29 -0.085 26.041 30.483 1.00 0.00 H
474
+ ATOM 473 HG22 VAL A 29 -0.209 24.760 29.560 1.00 0.00 H
475
+ ATOM 474 HG23 VAL A 29 -1.055 26.058 29.232 1.00 0.00 H
476
+ ATOM 475 N LEU A 30 -4.132 22.321 30.773 1.00 0.00 N
477
+ ATOM 476 CA LEU A 30 -5.269 21.729 31.505 1.00 0.00 C
478
+ ATOM 477 C LEU A 30 -4.925 21.303 32.892 1.00 0.00 C
479
+ ATOM 478 O LEU A 30 -5.800 21.265 33.777 1.00 0.00 O
480
+ ATOM 479 CB LEU A 30 -5.832 20.547 30.724 1.00 0.00 C
481
+ ATOM 480 CG LEU A 30 -6.332 20.804 29.302 1.00 0.00 C
482
+ ATOM 481 CD1 LEU A 30 -6.698 19.434 28.658 1.00 0.00 C
483
+ ATOM 482 CD2 LEU A 30 -7.490 21.837 29.199 1.00 0.00 C
484
+ ATOM 483 H LEU A 30 -3.638 21.755 30.354 1.00 0.00 H
485
+ ATOM 484 HA LEU A 30 -5.937 22.427 31.588 1.00 0.00 H
486
+ ATOM 485 HB2 LEU A 30 -5.144 19.865 30.679 1.00 0.00 H
487
+ ATOM 486 HB3 LEU A 30 -6.567 20.175 31.236 1.00 0.00 H
488
+ ATOM 487 HG LEU A 30 -5.613 21.226 28.806 1.00 0.00 H
489
+ ATOM 488 HD11 LEU A 30 -7.018 19.577 27.753 1.00 0.00 H
490
+ ATOM 489 HD12 LEU A 30 -5.912 18.866 28.637 1.00 0.00 H
491
+ ATOM 490 HD13 LEU A 30 -7.392 19.005 29.182 1.00 0.00 H
492
+ ATOM 491 HD21 LEU A 30 -7.748 21.943 28.270 1.00 0.00 H
493
+ ATOM 492 HD22 LEU A 30 -8.251 21.522 29.712 1.00 0.00 H
494
+ ATOM 493 HD23 LEU A 30 -7.194 22.691 29.551 1.00 0.00 H
495
+ ATOM 494 N ASP A 31 -3.662 20.981 33.111 1.00 0.00 N
496
+ ATOM 495 CA ASP A 31 -3.177 20.451 34.352 1.00 0.00 C
497
+ ATOM 496 C ASP A 31 -1.688 20.721 34.462 1.00 0.00 C
498
+ ATOM 497 O ASP A 31 -0.883 20.090 33.775 1.00 0.00 O
499
+ ATOM 498 CB ASP A 31 -3.470 18.911 34.437 1.00 0.00 C
500
+ ATOM 499 CG ASP A 31 -3.025 18.307 35.745 1.00 0.00 C
501
+ ATOM 500 OD1 ASP A 31 -2.300 18.963 36.515 1.00 0.00 O
502
+ ATOM 501 OD2 ASP A 31 -3.335 17.144 36.147 1.00 0.00 O
503
+ ATOM 502 H ASP A 31 -3.048 21.071 32.515 1.00 0.00 H
504
+ ATOM 503 HA ASP A 31 -3.633 20.884 35.090 1.00 0.00 H
505
+ ATOM 504 HB2 ASP A 31 -4.421 18.759 34.322 1.00 0.00 H
506
+ ATOM 505 HB3 ASP A 31 -3.020 18.459 33.706 1.00 0.00 H
507
+ ATOM 506 N ASP A 32 -1.323 21.688 35.308 1.00 0.00 N
508
+ ATOM 507 CA ASP A 32 0.093 21.958 35.599 1.00 0.00 C
509
+ ATOM 508 C ASP A 32 0.494 21.538 36.982 1.00 0.00 C
510
+ ATOM 509 O ASP A 32 1.446 22.063 37.560 1.00 0.00 O
511
+ ATOM 510 CB ASP A 32 0.396 23.426 35.436 1.00 0.00 C
512
+ ATOM 511 CG ASP A 32 -0.502 24.324 36.276 1.00 0.00 C
513
+ ATOM 512 OD1 ASP A 32 -1.463 23.823 36.951 1.00 0.00 O
514
+ ATOM 513 OD2 ASP A 32 -0.330 25.597 36.275 1.00 0.00 O
515
+ ATOM 514 H ASP A 32 -1.876 22.199 35.724 1.00 0.00 H
516
+ ATOM 515 HA ASP A 32 0.603 21.432 34.964 1.00 0.00 H
517
+ ATOM 516 HB2 ASP A 32 1.321 23.587 35.678 1.00 0.00 H
518
+ ATOM 517 HB3 ASP A 32 0.301 23.668 34.501 1.00 0.00 H
519
+ ATOM 518 N SER A 33 -0.195 20.548 37.524 1.00 0.00 N
520
+ ATOM 519 CA SER A 33 0.138 20.130 38.871 1.00 0.00 C
521
+ ATOM 520 C SER A 33 1.502 19.504 38.984 1.00 0.00 C
522
+ ATOM 521 O SER A 33 2.064 19.496 40.054 1.00 0.00 O
523
+ ATOM 522 CB SER A 33 -0.973 19.229 39.487 1.00 0.00 C
524
+ ATOM 523 OG SER A 33 -1.143 18.012 38.746 1.00 0.00 O
525
+ ATOM 524 H SER A 33 -0.837 20.119 37.145 1.00 0.00 H
526
+ ATOM 525 HA SER A 33 0.180 20.943 39.399 1.00 0.00 H
527
+ ATOM 526 HB2 SER A 33 -0.746 19.019 40.407 1.00 0.00 H
528
+ ATOM 527 HB3 SER A 33 -1.811 19.716 39.506 1.00 0.00 H
529
+ ATOM 528 HG SER A 33 -1.297 18.193 37.940 1.00 0.00 H
530
+ ATOM 529 N ASP A 34 2.051 18.966 37.897 1.00 0.00 N
531
+ ATOM 530 CA ASP A 34 3.438 18.508 37.850 1.00 0.00 C
532
+ ATOM 531 C ASP A 34 4.414 19.591 37.301 1.00 0.00 C
533
+ ATOM 532 O ASP A 34 4.064 20.280 36.369 1.00 0.00 O
534
+ ATOM 533 CB ASP A 34 3.519 17.261 36.973 1.00 0.00 C
535
+ ATOM 534 CG ASP A 34 4.869 16.602 37.031 1.00 0.00 C
536
+ ATOM 535 OD1 ASP A 34 5.008 15.665 37.861 1.00 0.00 O
537
+ ATOM 536 OD2 ASP A 34 5.840 16.925 36.322 1.00 0.00 O
538
+ ATOM 537 H ASP A 34 1.624 18.856 37.159 1.00 0.00 H
539
+ ATOM 538 HA ASP A 34 3.712 18.313 38.760 1.00 0.00 H
540
+ ATOM 539 HB2 ASP A 34 2.841 16.627 37.254 1.00 0.00 H
541
+ ATOM 540 HB3 ASP A 34 3.319 17.502 36.055 1.00 0.00 H
542
+ ATOM 541 N ALA A 35 5.624 19.749 37.861 1.00 0.00 N
543
+ ATOM 542 CA ALA A 35 6.490 20.877 37.453 1.00 0.00 C
544
+ ATOM 543 C ALA A 35 7.113 20.821 36.041 1.00 0.00 C
545
+ ATOM 544 O ALA A 35 7.330 21.872 35.397 1.00 0.00 O
546
+ ATOM 545 CB ALA A 35 7.595 21.133 38.518 1.00 0.00 C
547
+ ATOM 546 H ALA A 35 5.957 19.232 38.462 1.00 0.00 H
548
+ ATOM 547 HA ALA A 35 5.870 21.621 37.399 1.00 0.00 H
549
+ ATOM 548 HB1 ALA A 35 8.152 21.875 38.234 1.00 0.00 H
550
+ ATOM 549 HB2 ALA A 35 7.181 21.347 39.369 1.00 0.00 H
551
+ ATOM 550 HB3 ALA A 35 8.141 20.337 38.616 1.00 0.00 H
552
+ ATOM 551 N ASN A 36 7.429 19.612 35.565 1.00 0.00 N
553
+ ATOM 552 CA ASN A 36 8.154 19.453 34.317 1.00 0.00 C
554
+ ATOM 553 C ASN A 36 7.273 19.025 33.156 1.00 0.00 C
555
+ ATOM 554 O ASN A 36 7.614 19.326 32.048 1.00 0.00 O
556
+ ATOM 555 CB ASN A 36 9.299 18.467 34.448 1.00 0.00 C
557
+ ATOM 556 CG ASN A 36 10.448 19.015 35.277 1.00 0.00 C
558
+ ATOM 557 OD1 ASN A 36 11.221 19.888 34.845 1.00 0.00 O
559
+ ATOM 558 ND2 ASN A 36 10.560 18.505 36.478 1.00 0.00 N
560
+ ATOM 559 H ASN A 36 7.228 18.873 35.957 1.00 0.00 H
561
+ ATOM 560 HA ASN A 36 8.503 20.337 34.122 1.00 0.00 H
562
+ ATOM 561 HB2 ASN A 36 8.972 17.649 34.854 1.00 0.00 H
563
+ ATOM 562 HB3 ASN A 36 9.624 18.234 33.564 1.00 0.00 H
564
+ ATOM 563 HD21 ASN A 36 11.187 18.773 37.002 1.00 0.00 H
565
+ ATOM 564 HD22 ASN A 36 10.006 17.902 36.743 1.00 0.00 H
566
+ ATOM 565 N TRP A 37 6.168 18.340 33.453 1.00 0.00 N
567
+ ATOM 566 CA TRP A 37 5.238 17.793 32.433 1.00 0.00 C
568
+ ATOM 567 C TRP A 37 3.805 18.247 32.662 1.00 0.00 C
569
+ ATOM 568 O TRP A 37 3.180 17.935 33.644 1.00 0.00 O
570
+ ATOM 569 CB TRP A 37 5.311 16.254 32.358 1.00 0.00 C
571
+ ATOM 570 CG TRP A 37 6.624 15.764 31.752 1.00 0.00 C
572
+ ATOM 571 CD1 TRP A 37 7.808 15.530 32.435 1.00 0.00 C
573
+ ATOM 572 CD2 TRP A 37 6.911 15.521 30.370 1.00 0.00 C
574
+ ATOM 573 NE1 TRP A 37 8.790 15.132 31.563 1.00 0.00 N
575
+ ATOM 574 CE2 TRP A 37 8.270 15.084 30.293 1.00 0.00 C
576
+ ATOM 575 CE3 TRP A 37 6.140 15.557 29.183 1.00 0.00 C
577
+ ATOM 576 CZ2 TRP A 37 8.890 14.755 29.093 1.00 0.00 C
578
+ ATOM 577 CZ3 TRP A 37 6.763 15.218 27.982 1.00 0.00 C
579
+ ATOM 578 CH2 TRP A 37 8.122 14.822 27.946 1.00 0.00 C
580
+ ATOM 579 H TRP A 37 5.926 18.173 34.261 1.00 0.00 H
581
+ ATOM 580 HA TRP A 37 5.529 18.151 31.580 1.00 0.00 H
582
+ ATOM 581 HB2 TRP A 37 5.211 15.884 33.249 1.00 0.00 H
583
+ ATOM 582 HB3 TRP A 37 4.569 15.923 31.828 1.00 0.00 H
584
+ ATOM 583 HD1 TRP A 37 7.920 15.629 33.353 1.00 0.00 H
585
+ ATOM 584 HE1 TRP A 37 9.601 14.943 31.778 1.00 0.00 H
586
+ ATOM 585 HE3 TRP A 37 5.243 15.800 29.204 1.00 0.00 H
587
+ ATOM 586 HZ2 TRP A 37 9.784 14.501 29.063 1.00 0.00 H
588
+ ATOM 587 HZ3 TRP A 37 6.277 15.253 27.190 1.00 0.00 H
589
+ ATOM 588 HH2 TRP A 37 8.508 14.601 27.129 1.00 0.00 H
590
+ ATOM 589 N TRP A 38 3.244 18.977 31.720 1.00 0.00 N
591
+ ATOM 590 CA TRP A 38 1.912 19.518 31.870 1.00 0.00 C
592
+ ATOM 591 C TRP A 38 0.955 18.876 30.895 1.00 0.00 C
593
+ ATOM 592 O TRP A 38 1.364 18.514 29.809 1.00 0.00 O
594
+ ATOM 593 CB TRP A 38 1.972 21.033 31.548 1.00 0.00 C
595
+ ATOM 594 CG TRP A 38 2.685 21.826 32.665 1.00 0.00 C
596
+ ATOM 595 CD1 TRP A 38 3.136 21.399 33.936 1.00 0.00 C
597
+ ATOM 596 CD2 TRP A 38 2.988 23.219 32.597 1.00 0.00 C
598
+ ATOM 597 NE1 TRP A 38 3.721 22.467 34.611 1.00 0.00 N
599
+ ATOM 598 CE2 TRP A 38 3.623 23.591 33.830 1.00 0.00 C
600
+ ATOM 599 CE3 TRP A 38 2.823 24.182 31.605 1.00 0.00 C
601
+ ATOM 600 CZ2 TRP A 38 4.107 24.883 34.053 1.00 0.00 C
602
+ ATOM 601 CZ3 TRP A 38 3.302 25.480 31.842 1.00 0.00 C
603
+ ATOM 602 CH2 TRP A 38 3.895 25.817 33.043 1.00 0.00 C
604
+ ATOM 603 H TRP A 38 3.625 19.173 30.974 1.00 0.00 H
605
+ ATOM 604 HA TRP A 38 1.604 19.350 32.774 1.00 0.00 H
606
+ ATOM 605 HB2 TRP A 38 2.437 21.167 30.708 1.00 0.00 H
607
+ ATOM 606 HB3 TRP A 38 1.072 21.375 31.432 1.00 0.00 H
608
+ ATOM 607 HD1 TRP A 38 3.054 20.535 34.270 1.00 0.00 H
609
+ ATOM 608 HE1 TRP A 38 4.084 22.429 35.390 1.00 0.00 H
610
+ ATOM 609 HE3 TRP A 38 2.404 23.970 30.802 1.00 0.00 H
611
+ ATOM 610 HZ2 TRP A 38 4.550 25.108 34.839 1.00 0.00 H
612
+ ATOM 611 HZ3 TRP A 38 3.218 26.125 31.178 1.00 0.00 H
613
+ ATOM 612 HH2 TRP A 38 4.161 26.697 33.181 1.00 0.00 H
614
+ ATOM 613 N GLN A 39 -0.302 18.726 31.290 1.00 0.00 N
615
+ ATOM 614 CA GLN A 39 -1.303 18.272 30.330 1.00 0.00 C
616
+ ATOM 615 C GLN A 39 -1.829 19.457 29.542 1.00 0.00 C
617
+ ATOM 616 O GLN A 39 -2.193 20.473 30.147 1.00 0.00 O
618
+ ATOM 617 CB GLN A 39 -2.475 17.610 31.054 1.00 0.00 C
619
+ ATOM 618 CG GLN A 39 -3.668 17.291 30.150 1.00 0.00 C
620
+ ATOM 619 CD GLN A 39 -3.503 16.020 29.306 1.00 0.00 C
621
+ ATOM 620 OE1 GLN A 39 -2.461 15.356 29.355 1.00 0.00 O
622
+ ATOM 621 NE2 GLN A 39 -4.552 15.663 28.553 1.00 0.00 N
623
+ ATOM 622 H GLN A 39 -0.593 18.876 32.085 1.00 0.00 H
624
+ ATOM 623 HA GLN A 39 -0.887 17.630 29.734 1.00 0.00 H
625
+ ATOM 624 HB2 GLN A 39 -2.165 16.789 31.467 1.00 0.00 H
626
+ ATOM 625 HB3 GLN A 39 -2.771 18.193 31.770 1.00 0.00 H
627
+ ATOM 626 HG2 GLN A 39 -4.461 17.200 30.700 1.00 0.00 H
628
+ ATOM 627 HG3 GLN A 39 -3.820 18.043 29.556 1.00 0.00 H
629
+ ATOM 628 HE21 GLN A 39 -5.261 16.150 28.544 1.00 0.00 H
630
+ ATOM 629 HE22 GLN A 39 -4.517 14.947 28.079 1.00 0.00 H
631
+ ATOM 630 N GLY A 40 -1.825 19.360 28.223 1.00 0.00 N
632
+ ATOM 631 CA GLY A 40 -2.424 20.435 27.431 1.00 0.00 C
633
+ ATOM 632 C GLY A 40 -3.431 20.004 26.420 1.00 0.00 C
634
+ ATOM 633 O GLY A 40 -3.625 18.825 26.206 1.00 0.00 O
635
+ ATOM 634 H GLY A 40 -1.494 18.706 27.773 1.00 0.00 H
636
+ ATOM 635 HA2 GLY A 40 -2.846 21.065 28.036 1.00 0.00 H
637
+ ATOM 636 HA3 GLY A 40 -1.714 20.913 26.974 1.00 0.00 H
638
+ ATOM 637 N GLU A 41 -3.945 20.982 25.682 1.00 0.00 N
639
+ ATOM 638 CA GLU A 41 -4.906 20.754 24.599 1.00 0.00 C
640
+ ATOM 639 C GLU A 41 -4.638 21.745 23.499 1.00 0.00 C
641
+ ATOM 640 O GLU A 41 -4.345 22.898 23.794 1.00 0.00 O
642
+ ATOM 641 CB GLU A 41 -6.331 20.963 25.141 1.00 0.00 C
643
+ ATOM 642 CG GLU A 41 -7.376 20.690 24.101 1.00 0.00 C
644
+ ATOM 643 CD GLU A 41 -8.790 20.717 24.666 1.00 0.00 C
645
+ ATOM 644 OE1 GLU A 41 -9.120 21.601 25.486 1.00 0.00 O
646
+ ATOM 645 OE2 GLU A 41 -9.558 19.850 24.264 1.00 0.00 O
647
+ ATOM 646 H GLU A 41 -3.744 21.811 25.795 1.00 0.00 H
648
+ ATOM 647 HA GLU A 41 -4.818 19.851 24.257 1.00 0.00 H
649
+ ATOM 648 HB2 GLU A 41 -6.475 20.380 25.903 1.00 0.00 H
650
+ ATOM 649 HB3 GLU A 41 -6.424 21.874 25.460 1.00 0.00 H
651
+ ATOM 650 HG2 GLU A 41 -7.302 21.349 23.393 1.00 0.00 H
652
+ ATOM 651 HG3 GLU A 41 -7.209 19.823 23.700 1.00 0.00 H
653
+ ATOM 652 N ASN A 42 -4.678 21.279 22.247 1.00 0.00 N
654
+ ATOM 653 CA ASN A 42 -4.652 22.153 21.073 1.00 0.00 C
655
+ ATOM 654 C ASN A 42 -5.583 21.593 20.023 1.00 0.00 C
656
+ ATOM 655 O ASN A 42 -6.416 20.708 20.323 1.00 0.00 O
657
+ ATOM 656 CB ASN A 42 -3.219 22.310 20.488 1.00 0.00 C
658
+ ATOM 657 CG ASN A 42 -2.546 20.981 20.190 1.00 0.00 C
659
+ ATOM 658 OD1 ASN A 42 -3.217 19.980 19.980 1.00 0.00 O
660
+ ATOM 659 ND2 ASN A 42 -1.193 20.984 20.116 1.00 0.00 N
661
+ ATOM 660 H ASN A 42 -4.721 20.442 22.056 1.00 0.00 H
662
+ ATOM 661 HA ASN A 42 -4.945 23.036 21.347 1.00 0.00 H
663
+ ATOM 662 HB2 ASN A 42 -3.264 22.833 19.672 1.00 0.00 H
664
+ ATOM 663 HB3 ASN A 42 -2.673 22.809 21.115 1.00 0.00 H
665
+ ATOM 664 HD21 ASN A 42 -0.772 20.262 19.914 1.00 0.00 H
666
+ ATOM 665 HD22 ASN A 42 -0.756 21.708 20.271 1.00 0.00 H
667
+ ATOM 666 N HIS A 43 -5.365 22.007 18.782 1.00 0.00 N
668
+ ATOM 667 CA HIS A 43 -6.243 21.574 17.692 1.00 0.00 C
669
+ ATOM 668 C HIS A 43 -6.113 20.069 17.392 1.00 0.00 C
670
+ ATOM 669 O HIS A 43 -7.033 19.482 16.771 1.00 0.00 O
671
+ ATOM 670 CB HIS A 43 -6.086 22.456 16.443 1.00 0.00 C
672
+ ATOM 671 CG HIS A 43 -4.675 22.532 15.909 1.00 0.00 C
673
+ ATOM 672 ND1 HIS A 43 -3.655 23.134 16.606 1.00 0.00 N
674
+ ATOM 673 CD2 HIS A 43 -4.106 22.002 14.797 1.00 0.00 C
675
+ ATOM 674 CE1 HIS A 43 -2.525 23.025 15.924 1.00 0.00 C
676
+ ATOM 675 NE2 HIS A 43 -2.776 22.355 14.813 1.00 0.00 N
677
+ ATOM 676 H HIS A 43 -4.725 22.531 18.547 1.00 0.00 H
678
+ ATOM 677 HA HIS A 43 -7.155 21.699 17.998 1.00 0.00 H
679
+ ATOM 678 HB2 HIS A 43 -6.667 22.116 15.745 1.00 0.00 H
680
+ ATOM 679 HB3 HIS A 43 -6.390 23.353 16.653 1.00 0.00 H
681
+ ATOM 680 HD1 HIS A 43 -3.738 23.522 17.369 1.00 0.00 H
682
+ ATOM 681 HD2 HIS A 43 -4.535 21.495 14.146 1.00 0.00 H
683
+ ATOM 682 HE1 HIS A 43 -1.698 23.362 16.182 1.00 0.00 H
684
+ ATOM 683 HE2 HIS A 43 -2.202 22.170 14.200 1.00 0.00 H
685
+ ATOM 684 N ARG A 44 -4.978 19.463 17.796 1.00 0.00 N
686
+ ATOM 685 CA ARG A 44 -4.638 18.064 17.496 1.00 0.00 C
687
+ ATOM 686 C ARG A 44 -5.183 17.094 18.514 1.00 0.00 C
688
+ ATOM 687 O ARG A 44 -5.220 15.877 18.248 1.00 0.00 O
689
+ ATOM 688 CB ARG A 44 -3.104 17.835 17.426 1.00 0.00 C
690
+ ATOM 689 CG ARG A 44 -2.429 18.578 16.289 1.00 0.00 C
691
+ ATOM 690 CD ARG A 44 -0.958 18.151 16.028 1.00 0.00 C
692
+ ATOM 691 NE ARG A 44 -0.404 19.093 15.083 1.00 0.00 N
693
+ ATOM 692 CZ ARG A 44 -0.074 20.339 15.381 1.00 0.00 C
694
+ ATOM 693 NH1 ARG A 44 -0.127 20.756 16.648 1.00 0.00 N
695
+ ATOM 694 NH2 ARG A 44 0.353 21.155 14.416 1.00 0.00 N
696
+ ATOM 695 H ARG A 44 -4.377 19.866 18.260 1.00 0.00 H
697
+ ATOM 696 HA ARG A 44 -5.047 17.898 16.633 1.00 0.00 H
698
+ ATOM 697 HB2 ARG A 44 -2.705 18.112 18.265 1.00 0.00 H
699
+ ATOM 698 HB3 ARG A 44 -2.931 16.886 17.330 1.00 0.00 H
700
+ ATOM 699 HG2 ARG A 44 -2.943 18.441 15.478 1.00 0.00 H
701
+ ATOM 700 HG3 ARG A 44 -2.449 19.529 16.481 1.00 0.00 H
702
+ ATOM 701 HD2 ARG A 44 -0.449 18.154 16.853 1.00 0.00 H
703
+ ATOM 702 HD3 ARG A 44 -0.921 17.248 15.675 1.00 0.00 H
704
+ ATOM 703 HE ARG A 44 -0.281 18.827 14.275 1.00 0.00 H
705
+ ATOM 704 HH11 ARG A 44 -0.375 20.215 17.269 1.00 0.00 H
706
+ ATOM 705 HH12 ARG A 44 0.087 21.566 16.844 1.00 0.00 H
707
+ ATOM 706 HH21 ARG A 44 0.412 20.870 13.607 1.00 0.00 H
708
+ ATOM 707 HH22 ARG A 44 0.569 21.966 14.603 1.00 0.00 H
709
+ ATOM 708 N GLY A 45 -5.559 17.580 19.686 1.00 0.00 N
710
+ ATOM 709 CA GLY A 45 -5.983 16.715 20.767 1.00 0.00 C
711
+ ATOM 710 C GLY A 45 -5.380 17.163 22.084 1.00 0.00 C
712
+ ATOM 711 O GLY A 45 -5.175 18.362 22.292 1.00 0.00 O
713
+ ATOM 712 H GLY A 45 -5.575 18.419 19.875 1.00 0.00 H
714
+ ATOM 713 HA2 GLY A 45 -6.951 16.721 20.831 1.00 0.00 H
715
+ ATOM 714 HA3 GLY A 45 -5.717 15.801 20.579 1.00 0.00 H
716
+ ATOM 715 N THR A 46 -5.157 16.208 22.974 1.00 0.00 N
717
+ ATOM 716 CA THR A 46 -4.670 16.469 24.338 1.00 0.00 C
718
+ ATOM 717 C THR A 46 -3.491 15.575 24.704 1.00 0.00 C
719
+ ATOM 718 O THR A 46 -3.271 14.490 24.111 1.00 0.00 O
720
+ ATOM 719 CB THR A 46 -5.798 16.338 25.425 1.00 0.00 C
721
+ ATOM 720 OG1 THR A 46 -6.315 15.012 25.356 1.00 0.00 O
722
+ ATOM 721 CG2 THR A 46 -7.023 17.260 25.153 1.00 0.00 C
723
+ ATOM 722 H THR A 46 -5.284 15.374 22.808 1.00 0.00 H
724
+ ATOM 723 HA THR A 46 -4.371 17.392 24.333 1.00 0.00 H
725
+ ATOM 724 HB THR A 46 -5.396 16.575 26.275 1.00 0.00 H
726
+ ATOM 725 HG1 THR A 46 -5.754 14.475 25.676 1.00 0.00 H
727
+ ATOM 726 HG21 THR A 46 -7.683 17.136 25.853 1.00 0.00 H
728
+ ATOM 727 HG22 THR A 46 -6.735 18.186 25.141 1.00 0.00 H
729
+ ATOM 728 HG23 THR A 46 -7.415 17.033 24.296 1.00 0.00 H
730
+ ATOM 729 N GLY A 47 -2.689 16.005 25.683 1.00 0.00 N
731
+ ATOM 730 CA GLY A 47 -1.599 15.150 26.108 1.00 0.00 C
732
+ ATOM 731 C GLY A 47 -0.558 15.891 26.903 1.00 0.00 C
733
+ ATOM 732 O GLY A 47 -0.694 17.095 27.066 1.00 0.00 O
734
+ ATOM 733 H GLY A 47 -2.759 16.757 26.094 1.00 0.00 H
735
+ ATOM 734 HA2 GLY A 47 -1.953 14.423 26.644 1.00 0.00 H
736
+ ATOM 735 HA3 GLY A 47 -1.182 14.751 25.328 1.00 0.00 H
737
+ ATOM 736 N LEU A 48 0.484 15.182 27.337 1.00 0.00 N
738
+ ATOM 737 CA LEU A 48 1.520 15.736 28.178 1.00 0.00 C
739
+ ATOM 738 C LEU A 48 2.588 16.411 27.302 1.00 0.00 C
740
+ ATOM 739 O LEU A 48 2.889 15.943 26.214 1.00 0.00 O
741
+ ATOM 740 CB LEU A 48 2.212 14.639 28.970 1.00 0.00 C
742
+ ATOM 741 CG LEU A 48 1.417 14.134 30.179 1.00 0.00 C
743
+ ATOM 742 CD1 LEU A 48 1.945 12.815 30.679 1.00 0.00 C
744
+ ATOM 743 CD2 LEU A 48 1.430 15.210 31.312 1.00 0.00 C
745
+ ATOM 744 H LEU A 48 0.603 14.353 27.143 1.00 0.00 H
746
+ ATOM 745 HA LEU A 48 1.106 16.373 28.781 1.00 0.00 H
747
+ ATOM 746 HB2 LEU A 48 2.390 13.891 28.378 1.00 0.00 H
748
+ ATOM 747 HB3 LEU A 48 3.071 14.969 29.276 1.00 0.00 H
749
+ ATOM 748 HG LEU A 48 0.500 13.985 29.899 1.00 0.00 H
750
+ ATOM 749 HD11 LEU A 48 1.421 12.525 31.442 1.00 0.00 H
751
+ ATOM 750 HD12 LEU A 48 1.882 12.152 29.973 1.00 0.00 H
752
+ ATOM 751 HD13 LEU A 48 2.872 12.917 30.944 1.00 0.00 H
753
+ ATOM 752 HD21 LEU A 48 0.925 14.884 32.074 1.00 0.00 H
754
+ ATOM 753 HD22 LEU A 48 2.345 15.385 31.582 1.00 0.00 H
755
+ ATOM 754 HD23 LEU A 48 1.028 16.030 30.985 1.00 0.00 H
756
+ ATOM 755 N PHE A 49 3.195 17.470 27.821 1.00 0.00 N
757
+ ATOM 756 CA PHE A 49 4.276 18.152 27.124 1.00 0.00 C
758
+ ATOM 757 C PHE A 49 5.230 18.762 28.157 1.00 0.00 C
759
+ ATOM 758 O PHE A 49 4.811 19.025 29.269 1.00 0.00 O
760
+ ATOM 759 CB PHE A 49 3.709 19.209 26.173 1.00 0.00 C
761
+ ATOM 760 CG PHE A 49 3.043 20.363 26.886 1.00 0.00 C
762
+ ATOM 761 CD1 PHE A 49 1.695 20.302 27.224 1.00 0.00 C
763
+ ATOM 762 CD2 PHE A 49 3.789 21.482 27.273 1.00 0.00 C
764
+ ATOM 763 CE1 PHE A 49 1.095 21.350 27.905 1.00 0.00 C
765
+ ATOM 764 CE2 PHE A 49 3.196 22.504 27.943 1.00 0.00 C
766
+ ATOM 765 CZ PHE A 49 1.833 22.480 28.264 1.00 0.00 C
767
+ ATOM 766 H PHE A 49 2.993 17.812 28.584 1.00 0.00 H
768
+ ATOM 767 HA PHE A 49 4.775 17.521 26.583 1.00 0.00 H
769
+ ATOM 768 HB2 PHE A 49 4.426 19.552 25.617 1.00 0.00 H
770
+ ATOM 769 HB3 PHE A 49 3.066 18.789 25.580 1.00 0.00 H
771
+ ATOM 770 HD1 PHE A 49 1.193 19.554 26.992 1.00 0.00 H
772
+ ATOM 771 HD2 PHE A 49 4.696 21.526 27.070 1.00 0.00 H
773
+ ATOM 772 HE1 PHE A 49 0.193 21.300 28.125 1.00 0.00 H
774
+ ATOM 773 HE2 PHE A 49 3.708 23.238 28.195 1.00 0.00 H
775
+ ATOM 774 HZ PHE A 49 1.432 23.195 28.703 1.00 0.00 H
776
+ ATOM 775 N PRO A 50 6.488 19.021 27.765 1.00 0.00 N
777
+ ATOM 776 CA PRO A 50 7.477 19.624 28.701 1.00 0.00 C
778
+ ATOM 777 C PRO A 50 7.123 21.105 29.005 1.00 0.00 C
779
+ ATOM 778 O PRO A 50 7.021 21.896 28.080 1.00 0.00 O
780
+ ATOM 779 CB PRO A 50 8.800 19.553 27.949 1.00 0.00 C
781
+ ATOM 780 CG PRO A 50 8.524 18.492 26.838 1.00 0.00 C
782
+ ATOM 781 CD PRO A 50 7.060 18.732 26.447 1.00 0.00 C
783
+ ATOM 782 HA PRO A 50 7.499 19.162 29.554 1.00 0.00 H
784
+ ATOM 783 HB2 PRO A 50 9.044 20.412 27.571 1.00 0.00 H
785
+ ATOM 784 HB3 PRO A 50 9.528 19.282 28.530 1.00 0.00 H
786
+ ATOM 785 HG2 PRO A 50 9.118 18.610 26.080 1.00 0.00 H
787
+ ATOM 786 HG3 PRO A 50 8.660 17.590 27.167 1.00 0.00 H
788
+ ATOM 787 HD2 PRO A 50 6.958 19.472 25.828 1.00 0.00 H
789
+ ATOM 788 HD3 PRO A 50 6.656 17.955 26.030 1.00 0.00 H
790
+ ATOM 789 N SER A 51 6.952 21.420 30.271 1.00 0.00 N
791
+ ATOM 790 CA SER A 51 6.658 22.797 30.718 1.00 0.00 C
792
+ ATOM 791 C SER A 51 7.667 23.820 30.172 1.00 0.00 C
793
+ ATOM 792 O SER A 51 7.269 24.969 29.906 1.00 0.00 O
794
+ ATOM 793 CB SER A 51 6.578 22.862 32.244 1.00 0.00 C
795
+ ATOM 794 OG SER A 51 7.862 22.626 32.814 1.00 0.00 O
796
+ ATOM 795 H SER A 51 7.000 20.848 30.912 1.00 0.00 H
797
+ ATOM 796 HA SER A 51 5.793 23.038 30.352 1.00 0.00 H
798
+ ATOM 797 HB2 SER A 51 6.249 23.731 32.521 1.00 0.00 H
799
+ ATOM 798 HB3 SER A 51 5.946 22.202 32.570 1.00 0.00 H
800
+ ATOM 799 HG SER A 51 8.176 21.909 32.510 1.00 0.00 H
801
+ ATOM 800 N ASN A 52 8.932 23.431 29.953 1.00 0.00 N
802
+ ATOM 801 CA ASN A 52 9.925 24.418 29.450 1.00 0.00 C
803
+ ATOM 802 C ASN A 52 9.903 24.691 27.963 1.00 0.00 C
804
+ ATOM 803 O ASN A 52 10.766 25.429 27.448 1.00 0.00 O
805
+ ATOM 804 CB ASN A 52 11.366 24.147 29.914 1.00 0.00 C
806
+ ATOM 805 CG ASN A 52 11.932 22.835 29.410 1.00 0.00 C
807
+ ATOM 806 OD1 ASN A 52 11.262 22.040 28.777 1.00 0.00 O
808
+ ATOM 807 ND2 ASN A 52 13.205 22.581 29.765 1.00 0.00 N
809
+ ATOM 808 H ASN A 52 9.234 22.636 30.081 1.00 0.00 H
810
+ ATOM 809 HA ASN A 52 9.610 25.232 29.874 1.00 0.00 H
811
+ ATOM 810 HB2 ASN A 52 11.936 24.872 29.614 1.00 0.00 H
812
+ ATOM 811 HB3 ASN A 52 11.391 24.150 30.884 1.00 0.00 H
813
+ ATOM 812 HD21 ASN A 52 13.572 21.835 29.544 1.00 0.00 H
814
+ ATOM 813 HD22 ASN A 52 13.651 23.164 30.212 1.00 0.00 H
815
+ ATOM 814 N PHE A 53 8.913 24.109 27.258 1.00 0.00 N
816
+ ATOM 815 CA PHE A 53 8.773 24.320 25.841 1.00 0.00 C
817
+ ATOM 816 C PHE A 53 7.799 25.432 25.502 1.00 0.00 C
818
+ ATOM 817 O PHE A 53 7.558 25.676 24.331 1.00 0.00 O
819
+ ATOM 818 CB PHE A 53 8.288 23.055 25.124 1.00 0.00 C
820
+ ATOM 819 CG PHE A 53 9.417 22.127 24.637 1.00 0.00 C
821
+ ATOM 820 CD1 PHE A 53 9.418 21.651 23.307 1.00 0.00 C
822
+ ATOM 821 CD2 PHE A 53 10.406 21.673 25.523 1.00 0.00 C
823
+ ATOM 822 CE1 PHE A 53 10.385 20.764 22.874 1.00 0.00 C
824
+ ATOM 823 CE2 PHE A 53 11.393 20.802 25.080 1.00 0.00 C
825
+ ATOM 824 CZ PHE A 53 11.367 20.352 23.727 1.00 0.00 C
826
+ ATOM 825 H PHE A 53 8.320 23.590 27.601 1.00 0.00 H
827
+ ATOM 826 HA PHE A 53 9.661 24.566 25.539 1.00 0.00 H
828
+ ATOM 827 HB2 PHE A 53 7.711 22.557 25.724 1.00 0.00 H
829
+ ATOM 828 HB3 PHE A 53 7.747 23.316 24.362 1.00 0.00 H
830
+ ATOM 829 HD1 PHE A 53 8.760 21.938 22.716 1.00 0.00 H
831
+ ATOM 830 HD2 PHE A 53 10.401 21.956 26.409 1.00 0.00 H
832
+ ATOM 831 HE1 PHE A 53 10.366 20.447 22.000 1.00 0.00 H
833
+ ATOM 832 HE2 PHE A 53 12.063 20.516 25.659 1.00 0.00 H
834
+ ATOM 833 HZ PHE A 53 12.027 19.771 23.423 1.00 0.00 H
835
+ ATOM 834 N VAL A 54 7.249 26.062 26.514 1.00 0.00 N
836
+ ATOM 835 CA VAL A 54 6.186 27.070 26.297 1.00 0.00 C
837
+ ATOM 836 C VAL A 54 6.480 28.354 27.067 1.00 0.00 C
838
+ ATOM 837 O VAL A 54 7.339 28.370 27.940 1.00 0.00 O
839
+ ATOM 838 CB VAL A 54 4.767 26.550 26.657 1.00 0.00 C
840
+ ATOM 839 CG1 VAL A 54 4.445 25.229 25.880 1.00 0.00 C
841
+ ATOM 840 CG2 VAL A 54 4.665 26.251 28.149 1.00 0.00 C
842
+ ATOM 841 H VAL A 54 7.462 25.935 27.337 1.00 0.00 H
843
+ ATOM 842 HA VAL A 54 6.189 27.257 25.345 1.00 0.00 H
844
+ ATOM 843 HB VAL A 54 4.136 27.244 26.410 1.00 0.00 H
845
+ ATOM 844 HG11 VAL A 54 3.556 24.922 26.118 1.00 0.00 H
846
+ ATOM 845 HG12 VAL A 54 4.483 25.397 24.925 1.00 0.00 H
847
+ ATOM 846 HG13 VAL A 54 5.096 24.549 26.114 1.00 0.00 H
848
+ ATOM 847 HG21 VAL A 54 3.774 25.928 28.354 1.00 0.00 H
849
+ ATOM 848 HG22 VAL A 54 5.317 25.574 28.389 1.00 0.00 H
850
+ ATOM 849 HG23 VAL A 54 4.839 27.061 28.654 1.00 0.00 H
851
+ ATOM 850 N THR A 55 5.756 29.389 26.695 1.00 0.00 N
852
+ ATOM 851 CA THR A 55 5.805 30.678 27.411 1.00 0.00 C
853
+ ATOM 852 C THR A 55 4.411 31.268 27.578 1.00 0.00 C
854
+ ATOM 853 O THR A 55 3.515 30.986 26.771 1.00 0.00 O
855
+ ATOM 854 CB THR A 55 6.715 31.660 26.591 1.00 0.00 C
856
+ ATOM 855 OG1 THR A 55 6.651 32.934 27.217 1.00 0.00 O
857
+ ATOM 856 CG2 THR A 55 6.101 31.902 25.221 1.00 0.00 C
858
+ ATOM 857 H THR A 55 5.219 29.379 26.024 1.00 0.00 H
859
+ ATOM 858 HA THR A 55 6.170 30.540 28.299 1.00 0.00 H
860
+ ATOM 859 HB THR A 55 7.608 31.286 26.537 1.00 0.00 H
861
+ ATOM 860 HG1 THR A 55 6.831 33.532 26.655 1.00 0.00 H
862
+ ATOM 861 HG21 THR A 55 6.665 32.509 24.716 1.00 0.00 H
863
+ ATOM 862 HG22 THR A 55 6.027 31.060 24.746 1.00 0.00 H
864
+ ATOM 863 HG23 THR A 55 5.219 32.292 25.326 1.00 0.00 H
865
+ ATOM 864 N THR A 56 4.207 32.045 28.654 1.00 0.00 N
866
+ ATOM 865 CA THR A 56 2.895 32.672 28.899 1.00 0.00 C
867
+ ATOM 866 C THR A 56 2.655 33.913 28.037 1.00 0.00 C
868
+ ATOM 867 O THR A 56 1.512 34.451 27.995 1.00 0.00 O
869
+ ATOM 868 CB THR A 56 2.693 33.033 30.384 1.00 0.00 C
870
+ ATOM 869 OG1 THR A 56 3.849 33.686 30.854 1.00 0.00 O
871
+ ATOM 870 CG2 THR A 56 2.607 31.710 31.275 1.00 0.00 C
872
+ ATOM 871 H THR A 56 4.806 32.220 29.246 1.00 0.00 H
873
+ ATOM 872 HA THR A 56 2.243 32.000 28.646 1.00 0.00 H
874
+ ATOM 873 HB THR A 56 1.888 33.570 30.448 1.00 0.00 H
875
+ ATOM 874 HG1 THR A 56 3.806 33.766 31.689 1.00 0.00 H
876
+ ATOM 875 HG21 THR A 56 2.480 31.954 32.205 1.00 0.00 H
877
+ ATOM 876 HG22 THR A 56 1.859 31.168 30.978 1.00 0.00 H
878
+ ATOM 877 HG23 THR A 56 3.429 31.204 31.183 1.00 0.00 H
879
+ ATOM 878 N ASP A 57 3.696 34.374 27.357 1.00 0.00 N
880
+ ATOM 879 CA ASP A 57 3.533 35.518 26.452 1.00 0.00 C
881
+ ATOM 880 C ASP A 57 2.876 35.066 25.163 1.00 0.00 C
882
+ ATOM 881 O ASP A 57 3.468 34.280 24.402 1.00 0.00 O
883
+ ATOM 882 CB ASP A 57 4.875 36.148 26.153 1.00 0.00 C
884
+ ATOM 883 CG ASP A 57 5.799 36.178 27.368 1.00 0.00 C
885
+ ATOM 884 OD1 ASP A 57 5.395 36.695 28.448 1.00 0.00 O
886
+ ATOM 885 OD2 ASP A 57 6.970 35.731 27.331 1.00 0.00 O
887
+ ATOM 886 H ASP A 57 4.492 34.051 27.399 1.00 0.00 H
888
+ ATOM 887 HA ASP A 57 2.968 36.179 26.883 1.00 0.00 H
889
+ ATOM 888 HB2 ASP A 57 5.306 35.656 25.436 1.00 0.00 H
890
+ ATOM 889 HB3 ASP A 57 4.738 37.054 25.833 1.00 0.00 H
891
+ ATOM 890 N LEU A 58 1.657 35.532 24.904 1.00 0.00 N
892
+ ATOM 891 CA LEU A 58 0.956 35.032 23.718 1.00 0.00 C
893
+ ATOM 892 C LEU A 58 1.238 35.896 22.480 1.00 0.00 C
894
+ ATOM 893 O LEU A 58 0.755 35.567 21.367 1.00 0.00 O
895
+ ATOM 894 CB LEU A 58 -0.534 34.899 23.990 1.00 0.00 C
896
+ ATOM 895 CG LEU A 58 -0.912 34.145 25.270 1.00 0.00 C
897
+ ATOM 896 CD1 LEU A 58 -2.416 33.992 25.297 1.00 0.00 C
898
+ ATOM 897 CD2 LEU A 58 -0.178 32.783 25.378 1.00 0.00 C
899
+ ATOM 898 H LEU A 58 1.232 36.111 25.376 1.00 0.00 H
900
+ ATOM 899 HA LEU A 58 1.301 34.147 23.521 1.00 0.00 H
901
+ ATOM 900 HB2 LEU A 58 -0.919 35.788 24.033 1.00 0.00 H
902
+ ATOM 901 HB3 LEU A 58 -0.945 34.448 23.236 1.00 0.00 H
903
+ ATOM 902 HG LEU A 58 -0.626 34.651 26.047 1.00 0.00 H
904
+ ATOM 903 HD11 LEU A 58 -2.679 33.516 26.101 1.00 0.00 H
905
+ ATOM 904 HD12 LEU A 58 -2.831 34.869 25.291 1.00 0.00 H
906
+ ATOM 905 HD13 LEU A 58 -2.705 33.493 24.517 1.00 0.00 H
907
+ ATOM 906 HD21 LEU A 58 -0.442 32.337 26.198 1.00 0.00 H
908
+ ATOM 907 HD22 LEU A 58 -0.413 32.228 24.618 1.00 0.00 H
909
+ ATOM 908 HD23 LEU A 58 0.781 32.931 25.385 1.00 0.00 H
910
+ ATOM 909 OXT LEU A 58 1.796 36.510 23.240 1.00 0.00 O
911
+ TER 910 LEU A 58
912
+ END
1uyc/1uyc_ligand.mol2 ADDED
@@ -0,0 +1,114 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1uyc_ligand
7
+ 48 50 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C19 7.7380 10.0170 23.0910 C.3 1 PU7 0.0555
14
+ 2 C5 6.7340 12.5930 23.8320 C.ar 1 PU7 -0.0473
15
+ 3 O20 6.3690 10.4460 22.7950 O.3 1 PU7 -0.3316
16
+ 4 C6 5.8380 11.5810 23.4170 C.ar 1 PU7 0.0841
17
+ 5 C4 6.2120 13.7390 24.4690 C.ar 1 PU7 -0.0481
18
+ 6 C3 4.8210 13.8110 24.6450 C.ar 1 PU7 0.0735
19
+ 7 O2 4.1810 14.9090 25.2820 O.3 1 PU7 -0.3300
20
+ 8 C8 4.8610 16.0970 25.6550 C.3 1 PU7 0.0568
21
+ 9 C2 3.9570 12.7910 24.2740 C.ar 1 PU7 -0.0369
22
+ 10 C1 4.4470 11.6690 23.6390 C.ar 1 PU7 -0.0019
23
+ 11 C9 3.4480 10.6040 23.2180 C.3 1 PU7 0.0589
24
+ 12 C10 2.1830 10.4840 24.0560 C.2 1 PU7 0.1361
25
+ 13 N1 0.9770 11.0060 23.7820 N.2 1 PU7 -0.3061
26
+ 14 C11 0.1980 10.6660 24.8270 C.ar 1 PU7 0.0921
27
+ 15 C13 -1.1490 10.8710 25.0860 C.ar 1 PU7 0.1250
28
+ 16 N5 -2.0300 11.5510 24.1910 N.pl3 1 PU7 -0.3168
29
+ 17 C12 0.9590 9.9560 25.7260 C.ar 1 PU7 0.1543
30
+ 18 N4 0.4920 9.5090 26.8940 N.ar 1 PU7 -0.2744
31
+ 19 C14 -0.8270 9.7040 27.1420 C.ar 1 PU7 0.0509
32
+ 20 N3 -1.6940 10.4430 26.2530 N.ar 1 PU7 -0.2729
33
+ 21 N2 2.1600 9.8720 25.2240 N.pl3 1 PU7 -0.2161
34
+ 22 C15 3.3720 9.2320 25.7790 C.3 1 PU7 0.0604
35
+ 23 C16 3.4270 7.7050 25.6300 C.3 1 PU7 -0.0259
36
+ 24 C17 3.9250 7.0200 24.3570 C.3 1 PU7 -0.0535
37
+ 25 C18 5.3200 7.2640 23.7080 C.3 1 PU7 -0.0652
38
+ 26 H1 7.9726 9.1129 22.5099 H 1 PU7 0.0570
39
+ 27 H2 7.8291 9.7966 24.1648 H 1 PU7 0.0570
40
+ 28 H3 8.4403 10.8192 22.8204 H 1 PU7 0.0570
41
+ 29 H4 7.8001 12.4907 23.6643 H 1 PU7 0.0497
42
+ 30 H5 6.8625 14.5360 24.8106 H 1 PU7 0.0462
43
+ 31 H6 4.1519 16.7921 26.1283 H 1 PU7 0.0573
44
+ 32 H7 5.2942 16.5679 24.7602 H 1 PU7 0.0573
45
+ 33 H8 5.6641 15.8521 26.3657 H 1 PU7 0.0573
46
+ 34 H9 2.8968 12.8758 24.4832 H 1 PU7 0.0459
47
+ 35 H10 3.9628 9.6325 23.2507 H 1 PU7 0.0663
48
+ 36 H11 3.1433 10.8229 22.1840 H 1 PU7 0.0663
49
+ 37 H12 -3.0223 11.6729 24.4386 H 1 PU7 0.1811
50
+ 38 H13 -1.6731 11.9196 23.2979 H 1 PU7 0.1811
51
+ 39 H14 -1.2502 9.2865 28.0484 H 1 PU7 0.0978
52
+ 40 H15 3.4238 9.4720 26.8512 H 1 PU7 0.0609
53
+ 41 H16 4.2473 9.6564 25.2655 H 1 PU7 0.0609
54
+ 42 H17 2.3994 7.3457 25.7879 H 1 PU7 0.0291
55
+ 43 H18 4.0716 7.3419 26.4441 H 1 PU7 0.0291
56
+ 44 H19 3.1895 7.2725 23.5790 H 1 PU7 0.0263
57
+ 45 H20 3.8817 5.9410 24.5663 H 1 PU7 0.0263
58
+ 46 H21 5.4173 6.6445 22.8043 H 1 PU7 0.0230
59
+ 47 H22 6.1100 6.9941 24.4243 H 1 PU7 0.0230
60
+ 48 H23 5.4178 8.3256 23.4371 H 1 PU7 0.0230
61
+ @<TRIPOS>BOND
62
+ 1 3 1 1
63
+ 2 4 2 ar
64
+ 3 2 5 ar
65
+ 4 3 4 1
66
+ 5 4 10 ar
67
+ 6 5 6 ar
68
+ 7 6 7 1
69
+ 8 6 9 ar
70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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86
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87
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88
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89
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90
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91
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94
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95
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97
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99
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105
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106
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107
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108
+ 47 24 45 1
109
+ 48 25 46 1
110
+ 49 25 47 1
111
+ 50 25 48 1
112
+ @<TRIPOS>SUBSTRUCTURE
113
+ 1 PU7 1
114
+
1uyc/1uyc_ligand.sdf ADDED
@@ -0,0 +1,104 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1uyc_ligand
2
+ -I-interpret-
3
+
4
+ 48 50 0 0 0 0 0 0 0 0999 V2000
5
+ 7.7380 10.0170 23.0910 C 0 0 0 0 0
6
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15
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16
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17
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18
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19
+ -1.1490 10.8710 25.0860 C 0 0 0 0 0
20
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21
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22
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23
+ -0.8270 9.7040 27.1420 C 0 0 0 0 0
24
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25
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26
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27
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28
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29
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30
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31
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32
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33
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34
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36
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37
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38
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41
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42
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43
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44
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48
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49
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50
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+ 25 46 1 0 0 0
101
+ 25 47 1 0 0 0
102
+ 25 48 1 0 0 0
103
+ M END
104
+ $$$$
1uyc/1uyc_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1uyc/1uyc_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff