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linbc20 commited on
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1 Parent(s): c71fa23

Add batch 28

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Files changed (50) hide show
  1. 1g3e/1g3e_ligand.mol2 +76 -0
  2. 1g3e/1g3e_ligand.sdf +66 -0
  3. 1g3e/1g3e_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1g3e/1g3e_protein_processed_fix.pdb +0 -0
  5. 1o3d/1o3d_ligand.mol2 +103 -0
  6. 1o3d/1o3d_ligand.sdf +89 -0
  7. 1o3d/1o3d_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1o3d/1o3d_protein_processed_fix.pdb +0 -0
  9. 1z2b/1z2b_ligand.mol2 +262 -0
  10. 1z2b/1z2b_ligand.sdf +250 -0
  11. 1z2b/1z2b_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1z2b/1z2b_protein_processed_fix.pdb +0 -0
  13. 2afw/2afw_ligand.mol2 +60 -0
  14. 2afw/2afw_ligand.sdf +48 -0
  15. 2afw/2afw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 2afw/2afw_protein_processed_fix.pdb +0 -0
  17. 2b1q/2b1q_protein_esmfold_aligned_tr_fix.pdb +0 -0
  18. 2b1q/2b1q_protein_processed_fix.pdb +0 -0
  19. 2cgf/2cgf_ligand.mol2 +101 -0
  20. 2cgf/2cgf_ligand.sdf +91 -0
  21. 2cgf/2cgf_protein_esmfold_aligned_tr_fix.pdb +0 -0
  22. 2cgf/2cgf_protein_processed_fix.pdb +0 -0
  23. 2d06/2d06_ligand.mol2 +107 -0
  24. 2d06/2d06_ligand.sdf +97 -0
  25. 2d06/2d06_protein_esmfold_aligned_tr_fix.pdb +0 -0
  26. 2d06/2d06_protein_processed_fix.pdb +0 -0
  27. 2gvf/2gvf_ligand.mol2 +250 -0
  28. 2gvf/2gvf_ligand.sdf +240 -0
  29. 2gvf/2gvf_protein_esmfold_aligned_tr_fix.pdb +0 -0
  30. 2gvf/2gvf_protein_processed_fix.pdb +0 -0
  31. 2h1h/2h1h_ligand.mol2 +147 -0
  32. 2h1h/2h1h_ligand.sdf +141 -0
  33. 2h1h/2h1h_protein_esmfold_aligned_tr_fix.pdb +0 -0
  34. 2h1h/2h1h_protein_processed_fix.pdb +0 -0
  35. 2hj4/2hj4_ligand.mol2 +56 -0
  36. 2hj4/2hj4_ligand.sdf +46 -0
  37. 2hj4/2hj4_protein_esmfold_aligned_tr_fix.pdb +0 -0
  38. 2hj4/2hj4_protein_processed_fix.pdb +0 -0
  39. 2hoc/2hoc_ligand.mol2 +75 -0
  40. 2hoc/2hoc_ligand.sdf +65 -0
  41. 2hoc/2hoc_protein_esmfold_aligned_tr_fix.pdb +0 -0
  42. 2hoc/2hoc_protein_processed_fix.pdb +0 -0
  43. 2m0v/2m0v_ligand.mol2 +193 -0
  44. 2m0v/2m0v_ligand.sdf +185 -0
  45. 2m0v/2m0v_protein_esmfold_aligned_tr_fix.pdb +990 -0
  46. 2m0v/2m0v_protein_processed_fix.pdb +0 -0
  47. 2pj3/2pj3_ligand.mol2 +139 -0
  48. 2pj3/2pj3_ligand.sdf +131 -0
  49. 2pj3/2pj3_protein_esmfold_aligned_tr_fix.pdb +0 -0
  50. 2pj3/2pj3_protein_processed_fix.pdb +0 -0
1g3e/1g3e_ligand.mol2 ADDED
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1g3e/1g3e_ligand.sdf ADDED
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+ $$$$
1g3e/1g3e_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1g3e/1g3e_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1o3d/1o3d_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
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+ ###
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1o3d/1o3d_ligand.sdf ADDED
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+ M END
89
+ $$$$
1o3d/1o3d_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1o3d/1o3d_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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2afw/2afw_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2afw/2afw_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2b1q/2b1q_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2b1q/2b1q_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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91
+ $$$$
2cgf/2cgf_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2cgf/2cgf_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2d06/2d06_ligand.mol2 ADDED
@@ -0,0 +1,107 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:53 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
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11
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12
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+
2d06/2d06_ligand.sdf ADDED
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1
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+ M END
97
+ $$$$
2d06/2d06_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2d06/2d06_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2gvf/2gvf_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:56 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2gvf_ligand
7
+ 115 119 1 0 0
8
+ SMALL
9
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10
+
11
+
12
+ @<TRIPOS>ATOM
13
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14
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15
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18
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19
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20
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21
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22
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23
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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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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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82
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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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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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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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119
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120
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121
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122
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2gvf/2gvf_ligand.sdf ADDED
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+ M END
240
+ $$$$
2gvf/2gvf_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2gvf/2gvf_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2h1h/2h1h_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:56 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2h1h_ligand
7
+ 64 67 1 0 0
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+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
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+ 8 C2 48.5450 13.2190 8.9380 C.ar 1 AFH 0.0533
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+ 9 N3 47.8210 12.9570 7.7830 N.ar 1 AFH -0.2714
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+ 15 27 1 0 0 0
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+ 22 28 1 0 0 0
63
+ 22 29 1 0 0 0
64
+ M END
65
+ $$$$
2hoc/2hoc_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2hoc/2hoc_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2m0v/2m0v_ligand.mol2 ADDED
@@ -0,0 +1,193 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:13:16 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
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+ 2m0v_ligand
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+
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12
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2m0v/2m0v_ligand.sdf ADDED
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1
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+ $$$$
2m0v/2m0v_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,990 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N GLY A 1 -13.959 -7.587 11.831 1.00 0.00 N
3
+ ATOM 2 CA GLY A 1 -12.813 -7.161 12.619 1.00 0.00 C
4
+ ATOM 3 C GLY A 1 -11.717 -6.525 11.785 1.00 0.00 C
5
+ ATOM 4 O GLY A 1 -11.328 -7.065 10.747 1.00 0.00 O
6
+ ATOM 5 N ILE A 2 -11.862 -5.172 11.408 1.00 0.00 N
7
+ ATOM 6 CA ILE A 2 -11.017 -4.422 10.485 1.00 0.00 C
8
+ ATOM 7 C ILE A 2 -9.564 -4.868 10.638 1.00 0.00 C
9
+ ATOM 8 CB ILE A 2 -11.137 -2.899 10.718 1.00 0.00 C
10
+ ATOM 9 O ILE A 2 -9.056 -4.977 11.756 1.00 0.00 O
11
+ ATOM 10 CG1 ILE A 2 -12.595 -2.449 10.568 1.00 0.00 C
12
+ ATOM 11 CG2 ILE A 2 -10.225 -2.132 9.756 1.00 0.00 C
13
+ ATOM 12 CD1 ILE A 2 -12.850 -1.017 11.016 1.00 0.00 C
14
+ ATOM 13 N ASP A 3 -9.016 -5.833 9.799 1.00 0.00 N
15
+ ATOM 14 CA ASP A 3 -7.635 -6.305 9.813 1.00 0.00 C
16
+ ATOM 15 C ASP A 3 -6.679 -5.198 10.249 1.00 0.00 C
17
+ ATOM 16 CB ASP A 3 -7.234 -6.834 8.434 1.00 0.00 C
18
+ ATOM 17 O ASP A 3 -6.571 -4.166 9.583 1.00 0.00 O
19
+ ATOM 18 CG ASP A 3 -5.857 -7.475 8.421 1.00 0.00 C
20
+ ATOM 19 OD1 ASP A 3 -5.110 -7.334 9.413 1.00 0.00 O
21
+ ATOM 20 OD2 ASP A 3 -5.516 -8.122 7.409 1.00 0.00 O
22
+ ATOM 21 N PRO A 4 -6.329 -4.889 11.608 1.00 0.00 N
23
+ ATOM 22 CA PRO A 4 -5.360 -3.837 11.921 1.00 0.00 C
24
+ ATOM 23 C PRO A 4 -4.273 -3.700 10.858 1.00 0.00 C
25
+ ATOM 24 CB PRO A 4 -4.764 -4.291 13.256 1.00 0.00 C
26
+ ATOM 25 O PRO A 4 -3.679 -2.629 10.710 1.00 0.00 O
27
+ ATOM 26 CG PRO A 4 -5.323 -5.661 13.476 1.00 0.00 C
28
+ ATOM 27 CD PRO A 4 -6.374 -5.921 12.435 1.00 0.00 C
29
+ ATOM 28 N PHE A 5 -3.961 -4.834 10.199 1.00 0.00 N
30
+ ATOM 29 CA PHE A 5 -2.937 -4.716 9.168 1.00 0.00 C
31
+ ATOM 30 C PHE A 5 -3.468 -3.946 7.964 1.00 0.00 C
32
+ ATOM 31 CB PHE A 5 -2.449 -6.101 8.732 1.00 0.00 C
33
+ ATOM 32 O PHE A 5 -2.707 -3.272 7.268 1.00 0.00 O
34
+ ATOM 33 CG PHE A 5 -1.664 -6.828 9.789 1.00 0.00 C
35
+ ATOM 34 CD1 PHE A 5 -0.358 -6.456 10.085 1.00 0.00 C
36
+ ATOM 35 CD2 PHE A 5 -2.232 -7.886 10.488 1.00 0.00 C
37
+ ATOM 36 CE1 PHE A 5 0.371 -7.127 11.064 1.00 0.00 C
38
+ ATOM 37 CE2 PHE A 5 -1.508 -8.562 11.467 1.00 0.00 C
39
+ ATOM 38 CZ PHE A 5 -0.208 -8.181 11.752 1.00 0.00 C
40
+ ATOM 39 N THR A 6 -4.818 -4.134 7.836 1.00 0.00 N
41
+ ATOM 40 CA THR A 6 -5.380 -3.353 6.739 1.00 0.00 C
42
+ ATOM 41 C THR A 6 -5.419 -1.870 7.096 1.00 0.00 C
43
+ ATOM 42 CB THR A 6 -6.798 -3.834 6.380 1.00 0.00 C
44
+ ATOM 43 O THR A 6 -5.475 -1.014 6.211 1.00 0.00 O
45
+ ATOM 44 CG2 THR A 6 -6.754 -5.159 5.626 1.00 0.00 C
46
+ ATOM 45 OG1 THR A 6 -7.558 -4.006 7.582 1.00 0.00 O
47
+ ATOM 46 N MET A 7 -4.982 -1.591 8.339 1.00 0.00 N
48
+ ATOM 47 CA MET A 7 -5.097 -0.182 8.706 1.00 0.00 C
49
+ ATOM 48 C MET A 7 -3.723 0.477 8.772 1.00 0.00 C
50
+ ATOM 49 CB MET A 7 -5.814 -0.033 10.049 1.00 0.00 C
51
+ ATOM 50 O MET A 7 -3.621 1.697 8.914 1.00 0.00 O
52
+ ATOM 51 CG MET A 7 -7.294 -0.371 9.994 1.00 0.00 C
53
+ ATOM 52 SD MET A 7 -8.316 0.781 10.993 1.00 0.00 S
54
+ ATOM 53 CE MET A 7 -7.988 0.138 12.658 1.00 0.00 C
55
+ ATOM 54 N LEU A 8 -2.673 -0.337 8.634 1.00 0.00 N
56
+ ATOM 55 CA LEU A 8 -1.371 0.318 8.681 1.00 0.00 C
57
+ ATOM 56 C LEU A 8 -0.769 0.432 7.284 1.00 0.00 C
58
+ ATOM 57 CB LEU A 8 -0.416 -0.449 9.600 1.00 0.00 C
59
+ ATOM 58 O LEU A 8 0.301 -0.119 7.018 1.00 0.00 O
60
+ ATOM 59 CG LEU A 8 -0.810 -0.523 11.076 1.00 0.00 C
61
+ ATOM 60 CD1 LEU A 8 0.112 -1.483 11.822 1.00 0.00 C
62
+ ATOM 61 CD2 LEU A 8 -0.773 0.862 11.709 1.00 0.00 C
63
+ ATOM 62 N ARG A 9 -1.478 1.063 6.407 1.00 0.00 N
64
+ ATOM 63 CA ARG A 9 -1.078 1.260 5.017 1.00 0.00 C
65
+ ATOM 64 C ARG A 9 -0.912 2.743 4.700 1.00 0.00 C
66
+ ATOM 65 CB ARG A 9 -2.101 0.633 4.069 1.00 0.00 C
67
+ ATOM 66 O ARG A 9 -1.546 3.592 5.330 1.00 0.00 O
68
+ ATOM 67 CG ARG A 9 -2.189 -0.881 4.171 1.00 0.00 C
69
+ ATOM 68 CD ARG A 9 -3.112 -1.466 3.111 1.00 0.00 C
70
+ ATOM 69 NE ARG A 9 -3.230 -2.916 3.240 1.00 0.00 N
71
+ ATOM 70 NH1 ARG A 9 -1.297 -3.385 2.065 1.00 0.00 N
72
+ ATOM 71 NH2 ARG A 9 -2.570 -5.091 2.916 1.00 0.00 N
73
+ ATOM 72 CZ ARG A 9 -2.365 -3.794 2.741 1.00 0.00 C
74
+ ATOM 73 N PRO A 10 0.039 3.023 3.794 1.00 0.00 N
75
+ ATOM 74 CA PRO A 10 0.036 4.385 3.255 1.00 0.00 C
76
+ ATOM 75 C PRO A 10 -1.260 4.728 2.526 1.00 0.00 C
77
+ ATOM 76 CB PRO A 10 1.223 4.385 2.289 1.00 0.00 C
78
+ ATOM 77 O PRO A 10 -2.015 3.830 2.145 1.00 0.00 O
79
+ ATOM 78 CG PRO A 10 1.958 3.118 2.587 1.00 0.00 C
80
+ ATOM 79 CD PRO A 10 1.007 2.158 3.242 1.00 0.00 C
81
+ ATOM 80 N ARG A 11 -1.518 5.965 2.329 1.00 0.00 N
82
+ ATOM 81 CA ARG A 11 -2.661 6.494 1.592 1.00 0.00 C
83
+ ATOM 82 C ARG A 11 -2.204 7.332 0.403 1.00 0.00 C
84
+ ATOM 83 CB ARG A 11 -3.553 7.332 2.512 1.00 0.00 C
85
+ ATOM 84 O ARG A 11 -1.210 8.058 0.493 1.00 0.00 O
86
+ ATOM 85 CG ARG A 11 -4.207 6.535 3.629 1.00 0.00 C
87
+ ATOM 86 CD ARG A 11 -5.225 7.368 4.395 1.00 0.00 C
88
+ ATOM 87 NE ARG A 11 -4.626 8.584 4.938 1.00 0.00 N
89
+ ATOM 88 NH1 ARG A 11 -3.707 7.550 6.790 1.00 0.00 N
90
+ ATOM 89 NH2 ARG A 11 -3.420 9.801 6.467 1.00 0.00 N
91
+ ATOM 90 CZ ARG A 11 -3.918 8.642 6.064 1.00 0.00 C
92
+ ATOM 91 N LEU A 12 -2.841 7.121 -0.673 1.00 0.00 N
93
+ ATOM 92 CA LEU A 12 -2.593 7.957 -1.843 1.00 0.00 C
94
+ ATOM 93 C LEU A 12 -3.667 9.033 -1.978 1.00 0.00 C
95
+ ATOM 94 CB LEU A 12 -2.547 7.104 -3.112 1.00 0.00 C
96
+ ATOM 95 O LEU A 12 -4.824 8.728 -2.274 1.00 0.00 O
97
+ ATOM 96 CG LEU A 12 -2.185 7.834 -4.407 1.00 0.00 C
98
+ ATOM 97 CD1 LEU A 12 -0.761 8.377 -4.329 1.00 0.00 C
99
+ ATOM 98 CD2 LEU A 12 -2.343 6.906 -5.607 1.00 0.00 C
100
+ ATOM 99 N CYS A 13 -3.285 10.261 -1.744 1.00 0.00 N
101
+ ATOM 100 CA CYS A 13 -4.195 11.399 -1.820 1.00 0.00 C
102
+ ATOM 101 C CYS A 13 -4.033 12.139 -3.141 1.00 0.00 C
103
+ ATOM 102 CB CYS A 13 -3.955 12.357 -0.654 1.00 0.00 C
104
+ ATOM 103 O CYS A 13 -2.990 12.745 -3.394 1.00 0.00 O
105
+ ATOM 104 SG CYS A 13 -4.192 11.603 0.969 1.00 0.00 S
106
+ ATOM 105 N THR A 14 -4.997 11.960 -3.956 1.00 0.00 N
107
+ ATOM 106 CA THR A 14 -5.028 12.642 -5.246 1.00 0.00 C
108
+ ATOM 107 C THR A 14 -5.984 13.830 -5.206 1.00 0.00 C
109
+ ATOM 108 CB THR A 14 -5.444 11.683 -6.375 1.00 0.00 C
110
+ ATOM 109 O THR A 14 -7.143 13.688 -4.809 1.00 0.00 O
111
+ ATOM 110 CG2 THR A 14 -5.374 12.370 -7.735 1.00 0.00 C
112
+ ATOM 111 OG1 THR A 14 -4.567 10.549 -6.380 1.00 0.00 O
113
+ ATOM 112 N MET A 15 -5.447 14.991 -5.655 1.00 0.00 N
114
+ ATOM 113 CA MET A 15 -6.313 16.161 -5.536 1.00 0.00 C
115
+ ATOM 114 C MET A 15 -6.055 17.145 -6.673 1.00 0.00 C
116
+ ATOM 115 CB MET A 15 -6.101 16.853 -4.188 1.00 0.00 C
117
+ ATOM 116 O MET A 15 -4.943 17.219 -7.197 1.00 0.00 O
118
+ ATOM 117 CG MET A 15 -4.696 17.403 -3.995 1.00 0.00 C
119
+ ATOM 118 SD MET A 15 -4.332 17.801 -2.241 1.00 0.00 S
120
+ ATOM 119 CE MET A 15 -4.023 16.134 -1.593 1.00 0.00 C
121
+ ATOM 120 N LYS A 16 -7.114 17.789 -7.033 1.00 0.00 N
122
+ ATOM 121 CA LYS A 16 -7.088 18.874 -8.009 1.00 0.00 C
123
+ ATOM 122 C LYS A 16 -7.237 20.231 -7.329 1.00 0.00 C
124
+ ATOM 123 CB LYS A 16 -8.192 18.686 -9.051 1.00 0.00 C
125
+ ATOM 124 O LYS A 16 -8.033 20.381 -6.400 1.00 0.00 O
126
+ ATOM 125 CG LYS A 16 -7.975 17.498 -9.975 1.00 0.00 C
127
+ ATOM 126 CD LYS A 16 -9.060 17.413 -11.042 1.00 0.00 C
128
+ ATOM 127 CE LYS A 16 -8.867 16.201 -11.943 1.00 0.00 C
129
+ ATOM 128 NZ LYS A 16 -9.964 16.079 -12.949 1.00 0.00 N
130
+ ATOM 129 N LYS A 17 -6.398 21.130 -7.805 1.00 0.00 N
131
+ ATOM 130 CA LYS A 17 -6.396 22.478 -7.244 1.00 0.00 C
132
+ ATOM 131 C LYS A 17 -7.776 23.120 -7.351 1.00 0.00 C
133
+ ATOM 132 CB LYS A 17 -5.356 23.351 -7.946 1.00 0.00 C
134
+ ATOM 133 O LYS A 17 -8.420 23.049 -8.400 1.00 0.00 O
135
+ ATOM 134 CG LYS A 17 -3.938 23.165 -7.425 1.00 0.00 C
136
+ ATOM 135 CD LYS A 17 -2.956 24.085 -8.139 1.00 0.00 C
137
+ ATOM 136 CE LYS A 17 -1.518 23.794 -7.729 1.00 0.00 C
138
+ ATOM 137 NZ LYS A 17 -0.544 24.623 -8.499 1.00 0.00 N
139
+ ATOM 138 N GLY A 18 -8.247 23.650 -6.229 1.00 0.00 N
140
+ ATOM 139 CA GLY A 18 -9.429 24.498 -6.238 1.00 0.00 C
141
+ ATOM 140 C GLY A 18 -9.104 25.974 -6.376 1.00 0.00 C
142
+ ATOM 141 O GLY A 18 -7.945 26.344 -6.571 1.00 0.00 O
143
+ ATOM 142 N PRO A 19 -10.107 26.798 -6.257 1.00 0.00 N
144
+ ATOM 143 CA PRO A 19 -9.881 28.239 -6.384 1.00 0.00 C
145
+ ATOM 144 C PRO A 19 -8.875 28.771 -5.365 1.00 0.00 C
146
+ ATOM 145 CB PRO A 19 -11.270 28.836 -6.144 1.00 0.00 C
147
+ ATOM 146 O PRO A 19 -8.166 29.742 -5.642 1.00 0.00 O
148
+ ATOM 147 CG PRO A 19 -12.222 27.732 -6.470 1.00 0.00 C
149
+ ATOM 148 CD PRO A 19 -11.547 26.420 -6.189 1.00 0.00 C
150
+ ATOM 149 N SER A 20 -8.789 28.145 -4.198 1.00 0.00 N
151
+ ATOM 150 CA SER A 20 -7.897 28.619 -3.146 1.00 0.00 C
152
+ ATOM 151 C SER A 20 -6.715 27.676 -2.956 1.00 0.00 C
153
+ ATOM 152 CB SER A 20 -8.656 28.771 -1.827 1.00 0.00 C
154
+ ATOM 153 O SER A 20 -6.065 27.690 -1.909 1.00 0.00 O
155
+ ATOM 154 OG SER A 20 -9.743 29.669 -1.972 1.00 0.00 O
156
+ ATOM 155 N GLY A 21 -6.349 26.896 -4.042 1.00 0.00 N
157
+ ATOM 156 CA GLY A 21 -5.258 25.941 -3.927 1.00 0.00 C
158
+ ATOM 157 C GLY A 21 -5.721 24.550 -3.538 1.00 0.00 C
159
+ ATOM 158 O GLY A 21 -6.893 24.209 -3.711 1.00 0.00 O
160
+ ATOM 159 N TYR A 22 -4.865 23.787 -2.973 1.00 0.00 N
161
+ ATOM 160 CA TYR A 22 -5.193 22.420 -2.584 1.00 0.00 C
162
+ ATOM 161 C TYR A 22 -5.879 22.388 -1.225 1.00 0.00 C
163
+ ATOM 162 CB TYR A 22 -3.930 21.553 -2.552 1.00 0.00 C
164
+ ATOM 163 O TYR A 22 -6.721 21.524 -0.967 1.00 0.00 O
165
+ ATOM 164 CG TYR A 22 -3.338 21.292 -3.916 1.00 0.00 C
166
+ ATOM 165 CD1 TYR A 22 -3.996 20.482 -4.839 1.00 0.00 C
167
+ ATOM 166 CD2 TYR A 22 -2.120 21.852 -4.283 1.00 0.00 C
168
+ ATOM 167 CE1 TYR A 22 -3.452 20.237 -6.096 1.00 0.00 C
169
+ ATOM 168 CE2 TYR A 22 -1.567 21.614 -5.536 1.00 0.00 C
170
+ ATOM 169 OH TYR A 22 -1.697 20.568 -7.678 1.00 0.00 O
171
+ ATOM 170 CZ TYR A 22 -2.239 20.807 -6.435 1.00 0.00 C
172
+ ATOM 171 N GLY A 23 -5.553 23.348 -0.316 1.00 0.00 N
173
+ ATOM 172 CA GLY A 23 -6.231 23.433 0.969 1.00 0.00 C
174
+ ATOM 173 C GLY A 23 -5.490 22.719 2.082 1.00 0.00 C
175
+ ATOM 174 O GLY A 23 -6.109 22.110 2.957 1.00 0.00 O
176
+ ATOM 175 N PHE A 24 -4.076 22.678 2.035 1.00 0.00 N
177
+ ATOM 176 CA PHE A 24 -3.308 22.151 3.157 1.00 0.00 C
178
+ ATOM 177 C PHE A 24 -2.050 22.980 3.387 1.00 0.00 C
179
+ ATOM 178 CB PHE A 24 -2.935 20.686 2.915 1.00 0.00 C
180
+ ATOM 179 O PHE A 24 -1.636 23.746 2.515 1.00 0.00 O
181
+ ATOM 180 CG PHE A 24 -1.981 20.484 1.771 1.00 0.00 C
182
+ ATOM 181 CD1 PHE A 24 -2.454 20.240 0.487 1.00 0.00 C
183
+ ATOM 182 CD2 PHE A 24 -0.608 20.537 1.977 1.00 0.00 C
184
+ ATOM 183 CE1 PHE A 24 -1.572 20.052 -0.576 1.00 0.00 C
185
+ ATOM 184 CE2 PHE A 24 0.279 20.351 0.921 1.00 0.00 C
186
+ ATOM 185 CZ PHE A 24 -0.205 20.107 -0.354 1.00 0.00 C
187
+ ATOM 186 N ASN A 25 -1.506 22.887 4.529 1.00 0.00 N
188
+ ATOM 187 CA ASN A 25 -0.232 23.485 4.915 1.00 0.00 C
189
+ ATOM 188 C ASN A 25 0.839 22.422 5.145 1.00 0.00 C
190
+ ATOM 189 CB ASN A 25 -0.402 24.349 6.166 1.00 0.00 C
191
+ ATOM 190 O ASN A 25 0.619 21.467 5.892 1.00 0.00 O
192
+ ATOM 191 CG ASN A 25 -1.214 25.602 5.905 1.00 0.00 C
193
+ ATOM 192 ND2 ASN A 25 -2.346 25.726 6.588 1.00 0.00 N
194
+ ATOM 193 OD1 ASN A 25 -0.828 26.450 5.096 1.00 0.00 O
195
+ ATOM 194 N LEU A 26 1.918 22.593 4.524 1.00 0.00 N
196
+ ATOM 195 CA LEU A 26 3.076 21.717 4.666 1.00 0.00 C
197
+ ATOM 196 C LEU A 26 4.093 22.313 5.635 1.00 0.00 C
198
+ ATOM 197 CB LEU A 26 3.734 21.473 3.306 1.00 0.00 C
199
+ ATOM 198 O LEU A 26 4.342 23.521 5.614 1.00 0.00 O
200
+ ATOM 199 CG LEU A 26 4.883 20.464 3.279 1.00 0.00 C
201
+ ATOM 200 CD1 LEU A 26 4.361 19.060 3.568 1.00 0.00 C
202
+ ATOM 201 CD2 LEU A 26 5.601 20.506 1.934 1.00 0.00 C
203
+ ATOM 202 N HIS A 27 4.662 21.453 6.345 1.00 0.00 N
204
+ ATOM 203 CA HIS A 27 5.632 21.917 7.330 1.00 0.00 C
205
+ ATOM 204 C HIS A 27 6.763 20.909 7.509 1.00 0.00 C
206
+ ATOM 205 CB HIS A 27 4.949 22.183 8.673 1.00 0.00 C
207
+ ATOM 206 O HIS A 27 6.538 19.699 7.433 1.00 0.00 O
208
+ ATOM 207 CG HIS A 27 5.881 22.670 9.735 1.00 0.00 C
209
+ ATOM 208 CD2 HIS A 27 6.426 22.034 10.799 1.00 0.00 C
210
+ ATOM 209 ND1 HIS A 27 6.353 23.964 9.775 1.00 0.00 N
211
+ ATOM 210 CE1 HIS A 27 7.151 24.103 10.820 1.00 0.00 C
212
+ ATOM 211 NE2 HIS A 27 7.213 22.946 11.459 1.00 0.00 N
213
+ ATOM 212 N SER A 28 7.975 21.543 7.650 1.00 0.00 N
214
+ ATOM 213 CA SER A 28 9.123 20.750 8.080 1.00 0.00 C
215
+ ATOM 214 C SER A 28 9.649 21.226 9.431 1.00 0.00 C
216
+ ATOM 215 CB SER A 28 10.240 20.814 7.037 1.00 0.00 C
217
+ ATOM 216 O SER A 28 9.569 22.413 9.751 1.00 0.00 O
218
+ ATOM 217 OG SER A 28 10.770 22.125 6.948 1.00 0.00 O
219
+ ATOM 218 N ASP A 29 9.876 20.233 10.248 1.00 0.00 N
220
+ ATOM 219 CA ASP A 29 10.426 20.508 11.571 1.00 0.00 C
221
+ ATOM 220 C ASP A 29 11.906 20.138 11.639 1.00 0.00 C
222
+ ATOM 221 CB ASP A 29 9.644 19.751 12.646 1.00 0.00 C
223
+ ATOM 222 O ASP A 29 12.295 19.043 11.228 1.00 0.00 O
224
+ ATOM 223 CG ASP A 29 9.990 20.195 14.056 1.00 0.00 C
225
+ ATOM 224 OD1 ASP A 29 11.121 20.678 14.283 1.00 0.00 O
226
+ ATOM 225 OD2 ASP A 29 9.126 20.059 14.950 1.00 0.00 O
227
+ ATOM 226 N LYS A 30 12.751 21.040 12.084 1.00 0.00 N
228
+ ATOM 227 CA LYS A 30 14.176 20.755 12.236 1.00 0.00 C
229
+ ATOM 228 C LYS A 30 14.401 19.538 13.128 1.00 0.00 C
230
+ ATOM 229 CB LYS A 30 14.906 21.969 12.813 1.00 0.00 C
231
+ ATOM 230 O LYS A 30 15.372 18.800 12.948 1.00 0.00 O
232
+ ATOM 231 CG LYS A 30 15.014 23.141 11.849 1.00 0.00 C
233
+ ATOM 232 CD LYS A 30 15.870 24.262 12.425 1.00 0.00 C
234
+ ATOM 233 CE LYS A 30 15.972 25.439 11.465 1.00 0.00 C
235
+ ATOM 234 NZ LYS A 30 16.763 26.563 12.049 1.00 0.00 N
236
+ ATOM 235 N SER A 31 13.485 19.306 14.005 1.00 0.00 N
237
+ ATOM 236 CA SER A 31 13.678 18.254 14.998 1.00 0.00 C
238
+ ATOM 237 C SER A 31 13.228 16.899 14.464 1.00 0.00 C
239
+ ATOM 238 CB SER A 31 12.916 18.584 16.283 1.00 0.00 C
240
+ ATOM 239 O SER A 31 13.572 15.858 15.027 1.00 0.00 O
241
+ ATOM 240 OG SER A 31 11.518 18.557 16.060 1.00 0.00 O
242
+ ATOM 241 N LYS A 32 12.563 16.920 13.455 1.00 0.00 N
243
+ ATOM 242 CA LYS A 32 12.006 15.678 12.928 1.00 0.00 C
244
+ ATOM 243 C LYS A 32 12.208 15.581 11.419 1.00 0.00 C
245
+ ATOM 244 CB LYS A 32 10.518 15.571 13.265 1.00 0.00 C
246
+ ATOM 245 O LYS A 32 11.742 16.441 10.668 1.00 0.00 O
247
+ ATOM 246 CG LYS A 32 10.227 15.456 14.755 1.00 0.00 C
248
+ ATOM 247 CD LYS A 32 8.736 15.294 15.023 1.00 0.00 C
249
+ ATOM 248 CE LYS A 32 8.435 15.263 16.515 1.00 0.00 C
250
+ ATOM 249 NZ LYS A 32 6.972 15.130 16.783 1.00 0.00 N
251
+ ATOM 250 N PRO A 33 12.963 14.565 10.967 1.00 0.00 N
252
+ ATOM 251 CA PRO A 33 13.132 14.424 9.519 1.00 0.00 C
253
+ ATOM 252 C PRO A 33 11.817 14.142 8.796 1.00 0.00 C
254
+ ATOM 253 CB PRO A 33 14.091 13.236 9.390 1.00 0.00 C
255
+ ATOM 254 O PRO A 33 10.972 13.403 9.308 1.00 0.00 O
256
+ ATOM 255 CG PRO A 33 13.928 12.475 10.666 1.00 0.00 C
257
+ ATOM 256 CD PRO A 33 13.442 13.419 11.727 1.00 0.00 C
258
+ ATOM 257 N GLY A 34 11.643 14.889 7.711 1.00 0.00 N
259
+ ATOM 258 CA GLY A 34 10.462 14.648 6.898 1.00 0.00 C
260
+ ATOM 259 C GLY A 34 9.622 15.892 6.681 1.00 0.00 C
261
+ ATOM 260 O GLY A 34 9.918 16.953 7.236 1.00 0.00 O
262
+ ATOM 261 N GLN A 35 8.690 15.727 5.822 1.00 0.00 N
263
+ ATOM 262 CA GLN A 35 7.715 16.765 5.505 1.00 0.00 C
264
+ ATOM 263 C GLN A 35 6.312 16.356 5.945 1.00 0.00 C
265
+ ATOM 264 CB GLN A 35 7.726 17.073 4.007 1.00 0.00 C
266
+ ATOM 265 O GLN A 35 5.817 15.297 5.556 1.00 0.00 O
267
+ ATOM 266 CG GLN A 35 9.113 17.355 3.447 1.00 0.00 C
268
+ ATOM 267 CD GLN A 35 9.771 18.561 4.092 1.00 0.00 C
269
+ ATOM 268 NE2 GLN A 35 11.058 18.438 4.402 1.00 0.00 N
270
+ ATOM 269 OE1 GLN A 35 9.130 19.594 4.307 1.00 0.00 O
271
+ ATOM 270 N PHE A 36 5.650 17.250 6.715 1.00 0.00 N
272
+ ATOM 271 CA PHE A 36 4.397 16.869 7.357 1.00 0.00 C
273
+ ATOM 272 C PHE A 36 3.285 17.846 6.997 1.00 0.00 C
274
+ ATOM 273 CB PHE A 36 4.569 16.806 8.878 1.00 0.00 C
275
+ ATOM 274 O PHE A 36 3.534 19.040 6.817 1.00 0.00 O
276
+ ATOM 275 CG PHE A 36 5.574 15.784 9.334 1.00 0.00 C
277
+ ATOM 276 CD1 PHE A 36 5.175 14.494 9.662 1.00 0.00 C
278
+ ATOM 277 CD2 PHE A 36 6.920 16.113 9.434 1.00 0.00 C
279
+ ATOM 278 CE1 PHE A 36 6.105 13.545 10.085 1.00 0.00 C
280
+ ATOM 279 CE2 PHE A 36 7.855 15.171 9.855 1.00 0.00 C
281
+ ATOM 280 CZ PHE A 36 7.444 13.887 10.181 1.00 0.00 C
282
+ ATOM 281 N ILE A 37 2.081 17.284 6.973 1.00 0.00 N
283
+ ATOM 282 CA ILE A 37 0.886 18.111 6.831 1.00 0.00 C
284
+ ATOM 283 C ILE A 37 0.548 18.762 8.170 1.00 0.00 C
285
+ ATOM 284 CB ILE A 37 -0.315 17.286 6.317 1.00 0.00 C
286
+ ATOM 285 O ILE A 37 0.224 18.071 9.139 1.00 0.00 O
287
+ ATOM 286 CG1 ILE A 37 0.074 16.505 5.056 1.00 0.00 C
288
+ ATOM 287 CG2 ILE A 37 -1.518 18.194 6.048 1.00 0.00 C
289
+ ATOM 288 CD1 ILE A 37 0.569 17.381 3.913 1.00 0.00 C
290
+ ATOM 289 N ARG A 38 0.659 20.103 8.235 1.00 0.00 N
291
+ ATOM 290 CA ARG A 38 0.361 20.832 9.464 1.00 0.00 C
292
+ ATOM 291 C ARG A 38 -1.143 20.967 9.671 1.00 0.00 C
293
+ ATOM 292 CB ARG A 38 1.013 22.216 9.439 1.00 0.00 C
294
+ ATOM 293 O ARG A 38 -1.644 20.767 10.780 1.00 0.00 O
295
+ ATOM 294 CG ARG A 38 0.806 23.017 10.715 1.00 0.00 C
296
+ ATOM 295 CD ARG A 38 1.523 24.359 10.661 1.00 0.00 C
297
+ ATOM 296 NE ARG A 38 2.969 24.202 10.783 1.00 0.00 N
298
+ ATOM 297 NH1 ARG A 38 3.317 26.256 11.781 1.00 0.00 N
299
+ ATOM 298 NH2 ARG A 38 5.089 24.862 11.372 1.00 0.00 N
300
+ ATOM 299 CZ ARG A 38 3.788 25.107 11.312 1.00 0.00 C
301
+ ATOM 300 N SER A 39 -1.800 21.286 8.665 1.00 0.00 N
302
+ ATOM 301 CA SER A 39 -3.246 21.479 8.722 1.00 0.00 C
303
+ ATOM 302 C SER A 39 -3.893 21.213 7.367 1.00 0.00 C
304
+ ATOM 303 CB SER A 39 -3.581 22.896 9.187 1.00 0.00 C
305
+ ATOM 304 O SER A 39 -3.234 21.305 6.330 1.00 0.00 O
306
+ ATOM 305 OG SER A 39 -3.169 23.851 8.224 1.00 0.00 O
307
+ ATOM 306 N VAL A 40 -5.163 20.893 7.402 1.00 0.00 N
308
+ ATOM 307 CA VAL A 40 -6.028 20.688 6.245 1.00 0.00 C
309
+ ATOM 308 C VAL A 40 -7.276 21.558 6.373 1.00 0.00 C
310
+ ATOM 309 CB VAL A 40 -6.427 19.204 6.092 1.00 0.00 C
311
+ ATOM 310 O VAL A 40 -7.968 21.517 7.393 1.00 0.00 O
312
+ ATOM 311 CG1 VAL A 40 -7.411 19.026 4.936 1.00 0.00 C
313
+ ATOM 312 CG2 VAL A 40 -5.187 18.337 5.881 1.00 0.00 C
314
+ ATOM 313 N ASP A 41 -7.488 22.398 5.368 1.00 0.00 N
315
+ ATOM 314 CA ASP A 41 -8.644 23.289 5.393 1.00 0.00 C
316
+ ATOM 315 C ASP A 41 -9.945 22.505 5.241 1.00 0.00 C
317
+ ATOM 316 CB ASP A 41 -8.533 24.344 4.290 1.00 0.00 C
318
+ ATOM 317 O ASP A 41 -10.008 21.539 4.477 1.00 0.00 O
319
+ ATOM 318 CG ASP A 41 -7.356 25.283 4.484 1.00 0.00 C
320
+ ATOM 319 OD1 ASP A 41 -6.828 25.375 5.614 1.00 0.00 O
321
+ ATOM 320 OD2 ASP A 41 -6.952 25.939 3.499 1.00 0.00 O
322
+ ATOM 321 N PRO A 42 -10.936 22.875 5.940 1.00 0.00 N
323
+ ATOM 322 CA PRO A 42 -12.237 22.236 5.730 1.00 0.00 C
324
+ ATOM 323 C PRO A 42 -12.792 22.476 4.328 1.00 0.00 C
325
+ ATOM 324 CB PRO A 42 -13.127 22.890 6.789 1.00 0.00 C
326
+ ATOM 325 O PRO A 42 -12.532 23.521 3.727 1.00 0.00 O
327
+ ATOM 326 CG PRO A 42 -12.174 23.518 7.754 1.00 0.00 C
328
+ ATOM 327 CD PRO A 42 -10.911 23.865 7.020 1.00 0.00 C
329
+ ATOM 328 N ASP A 43 -13.502 21.553 3.776 1.00 0.00 N
330
+ ATOM 329 CA ASP A 43 -14.191 21.612 2.491 1.00 0.00 C
331
+ ATOM 330 C ASP A 43 -13.210 21.896 1.355 1.00 0.00 C
332
+ ATOM 331 CB ASP A 43 -15.288 22.680 2.518 1.00 0.00 C
333
+ ATOM 332 O ASP A 43 -13.566 22.542 0.368 1.00 0.00 O
334
+ ATOM 333 CG ASP A 43 -16.397 22.364 3.505 1.00 0.00 C
335
+ ATOM 334 OD1 ASP A 43 -16.886 21.213 3.526 1.00 0.00 O
336
+ ATOM 335 OD2 ASP A 43 -16.790 23.274 4.266 1.00 0.00 O
337
+ ATOM 336 N SER A 44 -12.014 21.511 1.505 1.00 0.00 N
338
+ ATOM 337 CA SER A 44 -10.961 21.687 0.510 1.00 0.00 C
339
+ ATOM 338 C SER A 44 -10.713 20.399 -0.268 1.00 0.00 C
340
+ ATOM 339 CB SER A 44 -9.664 22.145 1.179 1.00 0.00 C
341
+ ATOM 340 O SER A 44 -11.129 19.320 0.160 1.00 0.00 O
342
+ ATOM 341 OG SER A 44 -9.099 21.099 1.951 1.00 0.00 O
343
+ ATOM 342 N PRO A 45 -10.080 20.468 -1.420 1.00 0.00 N
344
+ ATOM 343 CA PRO A 45 -9.667 19.264 -2.146 1.00 0.00 C
345
+ ATOM 344 C PRO A 45 -8.805 18.331 -1.299 1.00 0.00 C
346
+ ATOM 345 CB PRO A 45 -8.868 19.821 -3.328 1.00 0.00 C
347
+ ATOM 346 O PRO A 45 -8.924 17.108 -1.406 1.00 0.00 O
348
+ ATOM 347 CG PRO A 45 -9.438 21.182 -3.567 1.00 0.00 C
349
+ ATOM 348 CD PRO A 45 -9.770 21.800 -2.239 1.00 0.00 C
350
+ ATOM 349 N ALA A 46 -7.895 18.888 -0.480 1.00 0.00 N
351
+ ATOM 350 CA ALA A 46 -7.053 18.074 0.392 1.00 0.00 C
352
+ ATOM 351 C ALA A 46 -7.900 17.228 1.339 1.00 0.00 C
353
+ ATOM 352 CB ALA A 46 -6.097 18.961 1.187 1.00 0.00 C
354
+ ATOM 353 O ALA A 46 -7.657 16.029 1.496 1.00 0.00 O
355
+ ATOM 354 N GLU A 47 -8.868 17.851 1.973 1.00 0.00 N
356
+ ATOM 355 CA GLU A 47 -9.736 17.085 2.863 1.00 0.00 C
357
+ ATOM 356 C GLU A 47 -10.488 16.000 2.098 1.00 0.00 C
358
+ ATOM 357 CB GLU A 47 -10.725 18.009 3.576 1.00 0.00 C
359
+ ATOM 358 O GLU A 47 -10.584 14.860 2.560 1.00 0.00 O
360
+ ATOM 359 CG GLU A 47 -11.554 17.314 4.646 1.00 0.00 C
361
+ ATOM 360 CD GLU A 47 -12.595 18.222 5.282 1.00 0.00 C
362
+ ATOM 361 OE1 GLU A 47 -13.315 18.931 4.544 1.00 0.00 O
363
+ ATOM 362 OE2 GLU A 47 -12.690 18.224 6.530 1.00 0.00 O
364
+ ATOM 363 N ALA A 48 -10.969 16.395 0.910 1.00 0.00 N
365
+ ATOM 364 CA ALA A 48 -11.745 15.463 0.095 1.00 0.00 C
366
+ ATOM 365 C ALA A 48 -10.890 14.279 -0.349 1.00 0.00 C
367
+ ATOM 366 CB ALA A 48 -12.329 16.178 -1.122 1.00 0.00 C
368
+ ATOM 367 O ALA A 48 -11.407 13.186 -0.585 1.00 0.00 O
369
+ ATOM 368 N SER A 49 -9.595 14.515 -0.482 1.00 0.00 N
370
+ ATOM 369 CA SER A 49 -8.686 13.471 -0.942 1.00 0.00 C
371
+ ATOM 370 C SER A 49 -8.363 12.486 0.177 1.00 0.00 C
372
+ ATOM 371 CB SER A 49 -7.393 14.084 -1.482 1.00 0.00 C
373
+ ATOM 372 O SER A 49 -7.805 11.416 -0.073 1.00 0.00 O
374
+ ATOM 373 OG SER A 49 -6.576 14.548 -0.420 1.00 0.00 O
375
+ ATOM 374 N GLY A 50 -8.621 12.862 1.465 1.00 0.00 N
376
+ ATOM 375 CA GLY A 50 -8.310 12.022 2.610 1.00 0.00 C
377
+ ATOM 376 C GLY A 50 -7.046 12.444 3.335 1.00 0.00 C
378
+ ATOM 377 O GLY A 50 -6.600 11.768 4.264 1.00 0.00 O
379
+ ATOM 378 N LEU A 51 -6.467 13.561 2.942 1.00 0.00 N
380
+ ATOM 379 CA LEU A 51 -5.286 14.079 3.624 1.00 0.00 C
381
+ ATOM 380 C LEU A 51 -5.635 14.550 5.033 1.00 0.00 C
382
+ ATOM 381 CB LEU A 51 -4.667 15.229 2.828 1.00 0.00 C
383
+ ATOM 382 O LEU A 51 -6.689 15.155 5.246 1.00 0.00 O
384
+ ATOM 383 CG LEU A 51 -3.219 15.587 3.167 1.00 0.00 C
385
+ ATOM 384 CD1 LEU A 51 -2.291 14.430 2.814 1.00 0.00 C
386
+ ATOM 385 CD2 LEU A 51 -2.797 16.859 2.437 1.00 0.00 C
387
+ ATOM 386 N ARG A 52 -4.773 14.329 5.991 1.00 0.00 N
388
+ ATOM 387 CA ARG A 52 -5.015 14.682 7.385 1.00 0.00 C
389
+ ATOM 388 C ARG A 52 -3.809 15.395 7.987 1.00 0.00 C
390
+ ATOM 389 CB ARG A 52 -5.350 13.434 8.206 1.00 0.00 C
391
+ ATOM 390 O ARG A 52 -2.679 15.205 7.534 1.00 0.00 O
392
+ ATOM 391 CG ARG A 52 -6.577 12.684 7.713 1.00 0.00 C
393
+ ATOM 392 CD ARG A 52 -6.785 11.381 8.473 1.00 0.00 C
394
+ ATOM 393 NE ARG A 52 -7.960 10.659 7.994 1.00 0.00 N
395
+ ATOM 394 NH1 ARG A 52 -7.613 8.800 9.321 1.00 0.00 N
396
+ ATOM 395 NH2 ARG A 52 -9.414 8.884 7.904 1.00 0.00 N
397
+ ATOM 396 CZ ARG A 52 -8.327 9.449 8.408 1.00 0.00 C
398
+ ATOM 397 N ALA A 53 -4.097 16.114 9.065 1.00 0.00 N
399
+ ATOM 398 CA ALA A 53 -3.002 16.701 9.834 1.00 0.00 C
400
+ ATOM 399 C ALA A 53 -2.088 15.618 10.401 1.00 0.00 C
401
+ ATOM 400 CB ALA A 53 -3.550 17.574 10.960 1.00 0.00 C
402
+ ATOM 401 O ALA A 53 -2.550 14.531 10.756 1.00 0.00 O
403
+ ATOM 402 N GLN A 54 -0.785 15.885 10.299 1.00 0.00 N
404
+ ATOM 403 CA GLN A 54 0.284 15.081 10.883 1.00 0.00 C
405
+ ATOM 404 C GLN A 54 0.682 13.938 9.954 1.00 0.00 C
406
+ ATOM 405 CB GLN A 54 -0.142 14.527 12.243 1.00 0.00 C
407
+ ATOM 406 O GLN A 54 1.618 13.190 10.246 1.00 0.00 O
408
+ ATOM 407 CG GLN A 54 -0.454 15.603 13.275 1.00 0.00 C
409
+ ATOM 408 CD GLN A 54 0.779 16.378 13.704 1.00 0.00 C
410
+ ATOM 409 NE2 GLN A 54 0.591 17.648 14.048 1.00 0.00 N
411
+ ATOM 410 OE1 GLN A 54 1.891 15.840 13.728 1.00 0.00 O
412
+ ATOM 411 N ASP A 55 -0.035 13.817 8.775 1.00 0.00 N
413
+ ATOM 412 CA ASP A 55 0.491 12.914 7.756 1.00 0.00 C
414
+ ATOM 413 C ASP A 55 1.909 13.310 7.351 1.00 0.00 C
415
+ ATOM 414 CB ASP A 55 -0.422 12.901 6.528 1.00 0.00 C
416
+ ATOM 415 O ASP A 55 2.213 14.497 7.214 1.00 0.00 O
417
+ ATOM 416 CG ASP A 55 -1.696 12.104 6.746 1.00 0.00 C
418
+ ATOM 417 OD1 ASP A 55 -1.787 11.361 7.747 1.00 0.00 O
419
+ ATOM 418 OD2 ASP A 55 -2.616 12.217 5.907 1.00 0.00 O
420
+ ATOM 419 N ARG A 56 2.799 12.357 7.204 1.00 0.00 N
421
+ ATOM 420 CA ARG A 56 4.100 12.569 6.578 1.00 0.00 C
422
+ ATOM 421 C ARG A 56 4.048 12.255 5.087 1.00 0.00 C
423
+ ATOM 422 CB ARG A 56 5.169 11.710 7.258 1.00 0.00 C
424
+ ATOM 423 O ARG A 56 3.501 11.226 4.682 1.00 0.00 O
425
+ ATOM 424 CG ARG A 56 6.576 11.946 6.729 1.00 0.00 C
426
+ ATOM 425 CD ARG A 56 7.624 11.243 7.580 1.00 0.00 C
427
+ ATOM 426 NE ARG A 56 7.494 9.790 7.503 1.00 0.00 N
428
+ ATOM 427 NH1 ARG A 56 8.682 9.581 5.534 1.00 0.00 N
429
+ ATOM 428 NH2 ARG A 56 7.822 7.721 6.562 1.00 0.00 N
430
+ ATOM 429 CZ ARG A 56 8.000 9.034 6.534 1.00 0.00 C
431
+ ATOM 430 N ILE A 57 4.568 13.077 4.271 1.00 0.00 N
432
+ ATOM 431 CA ILE A 57 4.631 12.852 2.832 1.00 0.00 C
433
+ ATOM 432 C ILE A 57 5.779 11.898 2.508 1.00 0.00 C
434
+ ATOM 433 CB ILE A 57 4.803 14.179 2.059 1.00 0.00 C
435
+ ATOM 434 O ILE A 57 6.923 12.138 2.903 1.00 0.00 O
436
+ ATOM 435 CG1 ILE A 57 3.537 15.035 2.180 1.00 0.00 C
437
+ ATOM 436 CG2 ILE A 57 5.143 13.909 0.590 1.00 0.00 C
438
+ ATOM 437 CD1 ILE A 57 3.621 16.371 1.454 1.00 0.00 C
439
+ ATOM 438 N VAL A 58 5.507 10.843 1.725 1.00 0.00 N
440
+ ATOM 439 CA VAL A 58 6.503 9.867 1.295 1.00 0.00 C
441
+ ATOM 440 C VAL A 58 6.847 10.092 -0.175 1.00 0.00 C
442
+ ATOM 441 CB VAL A 58 6.010 8.419 1.512 1.00 0.00 C
443
+ ATOM 442 O VAL A 58 8.020 10.064 -0.556 1.00 0.00 O
444
+ ATOM 443 CG1 VAL A 58 7.064 7.414 1.047 1.00 0.00 C
445
+ ATOM 444 CG2 VAL A 58 5.660 8.189 2.980 1.00 0.00 C
446
+ ATOM 445 N GLU A 59 5.806 10.233 -0.959 1.00 0.00 N
447
+ ATOM 446 CA GLU A 59 5.984 10.494 -2.384 1.00 0.00 C
448
+ ATOM 447 C GLU A 59 5.142 11.684 -2.837 1.00 0.00 C
449
+ ATOM 448 CB GLU A 59 5.627 9.253 -3.207 1.00 0.00 C
450
+ ATOM 449 O GLU A 59 4.066 11.932 -2.291 1.00 0.00 O
451
+ ATOM 450 CG GLU A 59 6.474 8.033 -2.878 1.00 0.00 C
452
+ ATOM 451 CD GLU A 59 6.061 6.790 -3.651 1.00 0.00 C
453
+ ATOM 452 OE1 GLU A 59 5.004 6.815 -4.321 1.00 0.00 O
454
+ ATOM 453 OE2 GLU A 59 6.800 5.782 -3.583 1.00 0.00 O
455
+ ATOM 454 N VAL A 60 5.694 12.396 -3.837 1.00 0.00 N
456
+ ATOM 455 CA VAL A 60 4.959 13.394 -4.606 1.00 0.00 C
457
+ ATOM 456 C VAL A 60 4.983 13.026 -6.088 1.00 0.00 C
458
+ ATOM 457 CB VAL A 60 5.541 14.811 -4.399 1.00 0.00 C
459
+ ATOM 458 O VAL A 60 6.054 12.907 -6.686 1.00 0.00 O
460
+ ATOM 459 CG1 VAL A 60 4.825 15.825 -5.291 1.00 0.00 C
461
+ ATOM 460 CG2 VAL A 60 5.438 15.221 -2.931 1.00 0.00 C
462
+ ATOM 461 N ASN A 61 3.786 12.780 -6.562 1.00 0.00 N
463
+ ATOM 462 CA ASN A 61 3.653 12.431 -7.973 1.00 0.00 C
464
+ ATOM 463 C ASN A 61 4.567 11.270 -8.352 1.00 0.00 C
465
+ ATOM 464 CB ASN A 61 3.942 13.647 -8.857 1.00 0.00 C
466
+ ATOM 465 O ASN A 61 5.224 11.307 -9.394 1.00 0.00 O
467
+ ATOM 466 CG ASN A 61 3.016 14.811 -8.569 1.00 0.00 C
468
+ ATOM 467 ND2 ASN A 61 3.537 16.027 -8.689 1.00 0.00 N
469
+ ATOM 468 OD1 ASN A 61 1.843 14.622 -8.239 1.00 0.00 O
470
+ ATOM 469 N GLY A 62 4.627 10.346 -7.443 1.00 0.00 N
471
+ ATOM 470 CA GLY A 62 5.312 9.095 -7.731 1.00 0.00 C
472
+ ATOM 471 C GLY A 62 6.796 9.144 -7.421 1.00 0.00 C
473
+ ATOM 472 O GLY A 62 7.511 8.162 -7.631 1.00 0.00 O
474
+ ATOM 473 N VAL A 63 7.293 10.292 -6.985 1.00 0.00 N
475
+ ATOM 474 CA VAL A 63 8.710 10.452 -6.679 1.00 0.00 C
476
+ ATOM 475 C VAL A 63 8.919 10.431 -5.166 1.00 0.00 C
477
+ ATOM 476 CB VAL A 63 9.274 11.761 -7.276 1.00 0.00 C
478
+ ATOM 477 O VAL A 63 8.265 11.174 -4.432 1.00 0.00 O
479
+ ATOM 478 CG1 VAL A 63 10.741 11.942 -6.890 1.00 0.00 C
480
+ ATOM 479 CG2 VAL A 63 9.114 11.767 -8.794 1.00 0.00 C
481
+ ATOM 480 N CYS A 64 9.777 9.627 -4.783 1.00 0.00 N
482
+ ATOM 481 CA CYS A 64 10.117 9.522 -3.368 1.00 0.00 C
483
+ ATOM 482 C CYS A 64 10.707 10.828 -2.850 1.00 0.00 C
484
+ ATOM 483 CB CYS A 64 11.105 8.378 -3.138 1.00 0.00 C
485
+ ATOM 484 O CYS A 64 11.617 11.388 -3.462 1.00 0.00 O
486
+ ATOM 485 SG CYS A 64 11.552 8.141 -1.404 1.00 0.00 S
487
+ ATOM 486 N MET A 65 10.266 11.223 -1.630 1.00 0.00 N
488
+ ATOM 487 CA MET A 65 10.682 12.506 -1.071 1.00 0.00 C
489
+ ATOM 488 C MET A 65 11.560 12.303 0.160 1.00 0.00 C
490
+ ATOM 489 CB MET A 65 9.463 13.356 -0.709 1.00 0.00 C
491
+ ATOM 490 O MET A 65 11.864 13.260 0.875 1.00 0.00 O
492
+ ATOM 491 CG MET A 65 8.581 13.700 -1.897 1.00 0.00 C
493
+ ATOM 492 SD MET A 65 9.445 14.740 -3.138 1.00 0.00 S
494
+ ATOM 493 CE MET A 65 9.522 13.580 -4.531 1.00 0.00 C
495
+ ATOM 494 N GLU A 66 11.937 11.090 0.406 1.00 0.00 N
496
+ ATOM 495 CA GLU A 66 12.827 10.790 1.523 1.00 0.00 C
497
+ ATOM 496 C GLU A 66 14.152 11.537 1.390 1.00 0.00 C
498
+ ATOM 497 CB GLU A 66 13.080 9.284 1.622 1.00 0.00 C
499
+ ATOM 498 O GLU A 66 14.808 11.464 0.348 1.00 0.00 O
500
+ ATOM 499 CG GLU A 66 13.840 8.867 2.873 1.00 0.00 C
501
+ ATOM 500 CD GLU A 66 13.058 9.102 4.156 1.00 0.00 C
502
+ ATOM 501 OE1 GLU A 66 11.887 9.537 4.082 1.00 0.00 O
503
+ ATOM 502 OE2 GLU A 66 13.621 8.849 5.243 1.00 0.00 O
504
+ ATOM 503 N GLY A 67 14.469 12.353 2.421 1.00 0.00 N
505
+ ATOM 504 CA GLY A 67 15.737 13.062 2.477 1.00 0.00 C
506
+ ATOM 505 C GLY A 67 15.731 14.358 1.688 1.00 0.00 C
507
+ ATOM 506 O GLY A 67 16.744 15.059 1.629 1.00 0.00 O
508
+ ATOM 507 N LYS A 68 14.614 14.677 1.026 1.00 0.00 N
509
+ ATOM 508 CA LYS A 68 14.522 15.923 0.273 1.00 0.00 C
510
+ ATOM 509 C LYS A 68 14.241 17.105 1.196 1.00 0.00 C
511
+ ATOM 510 CB LYS A 68 13.434 15.825 -0.798 1.00 0.00 C
512
+ ATOM 511 O LYS A 68 13.627 16.942 2.253 1.00 0.00 O
513
+ ATOM 512 CG LYS A 68 13.632 14.677 -1.778 1.00 0.00 C
514
+ ATOM 513 CD LYS A 68 14.840 14.910 -2.675 1.00 0.00 C
515
+ ATOM 514 CE LYS A 68 14.973 13.820 -3.729 1.00 0.00 C
516
+ ATOM 515 NZ LYS A 68 16.144 14.056 -4.626 1.00 0.00 N
517
+ ATOM 516 N GLN A 69 14.714 18.277 0.815 1.00 0.00 N
518
+ ATOM 517 CA GLN A 69 14.465 19.492 1.584 1.00 0.00 C
519
+ ATOM 518 C GLN A 69 13.066 20.038 1.314 1.00 0.00 C
520
+ ATOM 519 CB GLN A 69 15.516 20.556 1.265 1.00 0.00 C
521
+ ATOM 520 O GLN A 69 12.472 19.750 0.272 1.00 0.00 O
522
+ ATOM 521 CG GLN A 69 16.935 20.151 1.641 1.00 0.00 C
523
+ ATOM 522 CD GLN A 69 17.150 20.089 3.141 1.00 0.00 C
524
+ ATOM 523 NE2 GLN A 69 18.183 19.369 3.563 1.00 0.00 N
525
+ ATOM 524 OE1 GLN A 69 16.394 20.685 3.915 1.00 0.00 O
526
+ ATOM 525 N HIS A 70 12.650 20.855 2.211 1.00 0.00 N
527
+ ATOM 526 CA HIS A 70 11.304 21.417 2.166 1.00 0.00 C
528
+ ATOM 527 C HIS A 70 11.027 22.078 0.820 1.00 0.00 C
529
+ ATOM 528 CB HIS A 70 11.108 22.428 3.297 1.00 0.00 C
530
+ ATOM 529 O HIS A 70 9.984 21.839 0.209 1.00 0.00 O
531
+ ATOM 530 CG HIS A 70 9.734 23.018 3.343 1.00 0.00 C
532
+ ATOM 531 CD2 HIS A 70 9.279 24.240 2.979 1.00 0.00 C
533
+ ATOM 532 ND1 HIS A 70 8.641 22.323 3.813 1.00 0.00 N
534
+ ATOM 533 CE1 HIS A 70 7.569 23.094 3.734 1.00 0.00 C
535
+ ATOM 534 NE2 HIS A 70 7.930 24.263 3.232 1.00 0.00 N
536
+ ATOM 535 N GLY A 71 11.931 22.906 0.343 1.00 0.00 N
537
+ ATOM 536 CA GLY A 71 11.772 23.595 -0.927 1.00 0.00 C
538
+ ATOM 537 C GLY A 71 11.629 22.650 -2.105 1.00 0.00 C
539
+ ATOM 538 O GLY A 71 10.900 22.941 -3.057 1.00 0.00 O
540
+ ATOM 539 N ASP A 72 12.342 21.490 -2.044 1.00 0.00 N
541
+ ATOM 540 CA ASP A 72 12.236 20.483 -3.095 1.00 0.00 C
542
+ ATOM 541 C ASP A 72 10.847 19.852 -3.114 1.00 0.00 C
543
+ ATOM 542 CB ASP A 72 13.303 19.401 -2.910 1.00 0.00 C
544
+ ATOM 543 O ASP A 72 10.286 19.603 -4.183 1.00 0.00 O
545
+ ATOM 544 CG ASP A 72 14.716 19.920 -3.118 1.00 0.00 C
546
+ ATOM 545 OD1 ASP A 72 14.902 20.898 -3.874 1.00 0.00 O
547
+ ATOM 546 OD2 ASP A 72 15.651 19.343 -2.522 1.00 0.00 O
548
+ ATOM 547 N VAL A 73 10.309 19.630 -1.940 1.00 0.00 N
549
+ ATOM 548 CA VAL A 73 8.991 19.010 -1.853 1.00 0.00 C
550
+ ATOM 549 C VAL A 73 7.928 19.983 -2.359 1.00 0.00 C
551
+ ATOM 550 CB VAL A 73 8.666 18.569 -0.408 1.00 0.00 C
552
+ ATOM 551 O VAL A 73 7.045 19.602 -3.130 1.00 0.00 O
553
+ ATOM 552 CG1 VAL A 73 7.250 18.001 -0.323 1.00 0.00 C
554
+ ATOM 553 CG2 VAL A 73 9.687 17.542 0.077 1.00 0.00 C
555
+ ATOM 554 N VAL A 74 8.031 21.253 -1.980 1.00 0.00 N
556
+ ATOM 555 CA VAL A 74 7.104 22.282 -2.439 1.00 0.00 C
557
+ ATOM 556 C VAL A 74 7.173 22.398 -3.960 1.00 0.00 C
558
+ ATOM 557 CB VAL A 74 7.406 23.650 -1.787 1.00 0.00 C
559
+ ATOM 558 O VAL A 74 6.140 22.446 -4.632 1.00 0.00 O
560
+ ATOM 559 CG1 VAL A 74 6.589 24.756 -2.450 1.00 0.00 C
561
+ ATOM 560 CG2 VAL A 74 7.122 23.599 -0.286 1.00 0.00 C
562
+ ATOM 561 N SER A 75 8.378 22.373 -4.443 1.00 0.00 N
563
+ ATOM 562 CA SER A 75 8.563 22.484 -5.886 1.00 0.00 C
564
+ ATOM 563 C SER A 75 7.972 21.280 -6.614 1.00 0.00 C
565
+ ATOM 564 CB SER A 75 10.048 22.617 -6.227 1.00 0.00 C
566
+ ATOM 565 O SER A 75 7.368 21.427 -7.678 1.00 0.00 O
567
+ ATOM 566 OG SER A 75 10.551 23.872 -5.804 1.00 0.00 O
568
+ ATOM 567 N ALA A 76 8.143 20.109 -6.088 1.00 0.00 N
569
+ ATOM 568 CA ALA A 76 7.587 18.897 -6.684 1.00 0.00 C
570
+ ATOM 569 C ALA A 76 6.062 18.948 -6.709 1.00 0.00 C
571
+ ATOM 570 CB ALA A 76 8.063 17.664 -5.922 1.00 0.00 C
572
+ ATOM 571 O ALA A 76 5.438 18.541 -7.691 1.00 0.00 O
573
+ ATOM 572 N ILE A 77 5.440 19.440 -5.681 1.00 0.00 N
574
+ ATOM 573 CA ILE A 77 3.988 19.563 -5.624 1.00 0.00 C
575
+ ATOM 574 C ILE A 77 3.514 20.562 -6.679 1.00 0.00 C
576
+ ATOM 575 CB ILE A 77 3.511 19.999 -4.222 1.00 0.00 C
577
+ ATOM 576 O ILE A 77 2.561 20.292 -7.414 1.00 0.00 O
578
+ ATOM 577 CG1 ILE A 77 3.741 18.873 -3.206 1.00 0.00 C
579
+ ATOM 578 CG2 ILE A 77 2.036 20.411 -4.256 1.00 0.00 C
580
+ ATOM 579 CD1 ILE A 77 3.591 19.309 -1.754 1.00 0.00 C
581
+ ATOM 580 N ARG A 78 4.166 21.682 -6.820 1.00 0.00 N
582
+ ATOM 581 CA ARG A 78 3.775 22.732 -7.756 1.00 0.00 C
583
+ ATOM 582 C ARG A 78 3.993 22.287 -9.198 1.00 0.00 C
584
+ ATOM 583 CB ARG A 78 4.559 24.018 -7.480 1.00 0.00 C
585
+ ATOM 584 O ARG A 78 3.238 22.674 -10.093 1.00 0.00 O
586
+ ATOM 585 CG ARG A 78 4.168 24.710 -6.184 1.00 0.00 C
587
+ ATOM 586 CD ARG A 78 5.004 25.958 -5.937 1.00 0.00 C
588
+ ATOM 587 NE ARG A 78 4.573 26.667 -4.735 1.00 0.00 N
589
+ ATOM 588 NH1 ARG A 78 6.277 28.226 -4.794 1.00 0.00 N
590
+ ATOM 589 NH2 ARG A 78 4.709 28.296 -3.123 1.00 0.00 N
591
+ ATOM 590 CZ ARG A 78 5.187 27.729 -4.221 1.00 0.00 C
592
+ ATOM 591 N ALA A 79 4.977 21.525 -9.382 1.00 0.00 N
593
+ ATOM 592 CA ALA A 79 5.309 21.062 -10.728 1.00 0.00 C
594
+ ATOM 593 C ALA A 79 4.184 20.210 -11.306 1.00 0.00 C
595
+ ATOM 594 CB ALA A 79 6.616 20.274 -10.712 1.00 0.00 C
596
+ ATOM 595 O ALA A 79 4.080 20.052 -12.526 1.00 0.00 O
597
+ ATOM 596 N GLY A 80 3.337 19.675 -10.486 1.00 0.00 N
598
+ ATOM 597 CA GLY A 80 2.208 18.878 -10.938 1.00 0.00 C
599
+ ATOM 598 C GLY A 80 1.101 19.711 -11.558 1.00 0.00 C
600
+ ATOM 599 O GLY A 80 0.176 19.168 -12.166 1.00 0.00 O
601
+ ATOM 600 N GLY A 81 1.275 21.026 -11.438 1.00 0.00 N
602
+ ATOM 601 CA GLY A 81 0.263 21.911 -11.993 1.00 0.00 C
603
+ ATOM 602 C GLY A 81 -1.033 21.904 -11.205 1.00 0.00 C
604
+ ATOM 603 O GLY A 81 -1.048 22.253 -10.023 1.00 0.00 O
605
+ ATOM 604 N ASP A 82 -2.197 21.407 -11.924 1.00 0.00 N
606
+ ATOM 605 CA ASP A 82 -3.509 21.520 -11.297 1.00 0.00 C
607
+ ATOM 606 C ASP A 82 -3.851 20.258 -10.506 1.00 0.00 C
608
+ ATOM 607 CB ASP A 82 -4.587 21.789 -12.348 1.00 0.00 C
609
+ ATOM 608 O ASP A 82 -4.842 20.227 -9.774 1.00 0.00 O
610
+ ATOM 609 CG ASP A 82 -4.561 23.214 -12.873 1.00 0.00 C
611
+ ATOM 610 OD1 ASP A 82 -3.867 24.069 -12.282 1.00 0.00 O
612
+ ATOM 611 OD2 ASP A 82 -5.243 23.486 -13.885 1.00 0.00 O
613
+ ATOM 612 N GLU A 83 -3.048 19.273 -10.691 1.00 0.00 N
614
+ ATOM 613 CA GLU A 83 -3.279 18.014 -9.989 1.00 0.00 C
615
+ ATOM 614 C GLU A 83 -1.996 17.500 -9.342 1.00 0.00 C
616
+ ATOM 615 CB GLU A 83 -3.845 16.960 -10.944 1.00 0.00 C
617
+ ATOM 616 O GLU A 83 -0.916 17.603 -9.926 1.00 0.00 O
618
+ ATOM 617 CG GLU A 83 -4.284 15.677 -10.255 1.00 0.00 C
619
+ ATOM 618 CD GLU A 83 -4.956 14.690 -11.197 1.00 0.00 C
620
+ ATOM 619 OE1 GLU A 83 -5.813 15.111 -12.006 1.00 0.00 O
621
+ ATOM 620 OE2 GLU A 83 -4.624 13.485 -11.122 1.00 0.00 O
622
+ ATOM 621 N THR A 84 -2.118 16.975 -8.131 1.00 0.00 N
623
+ ATOM 622 CA THR A 84 -0.978 16.348 -7.471 1.00 0.00 C
624
+ ATOM 623 C THR A 84 -1.401 15.062 -6.766 1.00 0.00 C
625
+ ATOM 624 CB THR A 84 -0.327 17.303 -6.455 1.00 0.00 C
626
+ ATOM 625 O THR A 84 -2.562 14.913 -6.380 1.00 0.00 O
627
+ ATOM 626 CG2 THR A 84 -1.208 17.479 -5.223 1.00 0.00 C
628
+ ATOM 627 OG1 THR A 84 0.940 16.771 -6.050 1.00 0.00 O
629
+ ATOM 628 N LYS A 85 -0.530 14.147 -6.663 1.00 0.00 N
630
+ ATOM 629 CA LYS A 85 -0.684 12.905 -5.912 1.00 0.00 C
631
+ ATOM 630 C LYS A 85 0.329 12.821 -4.773 1.00 0.00 C
632
+ ATOM 631 CB LYS A 85 -0.532 11.696 -6.836 1.00 0.00 C
633
+ ATOM 632 O LYS A 85 1.538 12.888 -5.004 1.00 0.00 O
634
+ ATOM 633 CG LYS A 85 -1.552 11.648 -7.965 1.00 0.00 C
635
+ ATOM 634 CD LYS A 85 -1.295 10.474 -8.902 1.00 0.00 C
636
+ ATOM 635 CE LYS A 85 -2.275 10.463 -10.067 1.00 0.00 C
637
+ ATOM 636 NZ LYS A 85 -1.996 9.342 -11.014 1.00 0.00 N
638
+ ATOM 637 N LEU A 86 -0.159 12.658 -3.618 1.00 0.00 N
639
+ ATOM 638 CA LEU A 86 0.688 12.520 -2.438 1.00 0.00 C
640
+ ATOM 639 C LEU A 86 0.526 11.138 -1.812 1.00 0.00 C
641
+ ATOM 640 CB LEU A 86 0.354 13.601 -1.408 1.00 0.00 C
642
+ ATOM 641 O LEU A 86 -0.584 10.740 -1.455 1.00 0.00 O
643
+ ATOM 642 CG LEU A 86 0.395 15.048 -1.905 1.00 0.00 C
644
+ ATOM 643 CD1 LEU A 86 0.065 16.009 -0.769 1.00 0.00 C
645
+ ATOM 644 CD2 LEU A 86 1.761 15.368 -2.504 1.00 0.00 C
646
+ ATOM 645 N LEU A 87 1.568 10.368 -1.741 1.00 0.00 N
647
+ ATOM 646 CA LEU A 87 1.588 9.197 -0.871 1.00 0.00 C
648
+ ATOM 647 C LEU A 87 1.953 9.587 0.557 1.00 0.00 C
649
+ ATOM 648 CB LEU A 87 2.579 8.156 -1.398 1.00 0.00 C
650
+ ATOM 649 O LEU A 87 3.021 10.152 0.798 1.00 0.00 O
651
+ ATOM 650 CG LEU A 87 2.559 6.791 -0.707 1.00 0.00 C
652
+ ATOM 651 CD1 LEU A 87 1.331 5.998 -1.138 1.00 0.00 C
653
+ ATOM 652 CD2 LEU A 87 3.837 6.018 -1.014 1.00 0.00 C
654
+ ATOM 653 N VAL A 88 1.089 9.285 1.511 1.00 0.00 N
655
+ ATOM 654 CA VAL A 88 1.304 9.762 2.874 1.00 0.00 C
656
+ ATOM 655 C VAL A 88 1.114 8.610 3.860 1.00 0.00 C
657
+ ATOM 656 CB VAL A 88 0.352 10.927 3.225 1.00 0.00 C
658
+ ATOM 657 O VAL A 88 0.459 7.615 3.542 1.00 0.00 O
659
+ ATOM 658 CG1 VAL A 88 0.571 12.107 2.281 1.00 0.00 C
660
+ ATOM 659 CG2 VAL A 88 -1.103 10.461 3.173 1.00 0.00 C
661
+ ATOM 660 N VAL A 89 1.690 8.789 5.015 1.00 0.00 N
662
+ ATOM 661 CA VAL A 89 1.475 7.896 6.149 1.00 0.00 C
663
+ ATOM 662 C VAL A 89 1.156 8.714 7.399 1.00 0.00 C
664
+ ATOM 663 CB VAL A 89 2.705 6.994 6.402 1.00 0.00 C
665
+ ATOM 664 O VAL A 89 1.704 9.800 7.593 1.00 0.00 O
666
+ ATOM 665 CG1 VAL A 89 2.908 6.020 5.243 1.00 0.00 C
667
+ ATOM 666 CG2 VAL A 89 3.956 7.847 6.613 1.00 0.00 C
668
+ ATOM 667 N ASP A 90 0.225 8.192 8.165 1.00 0.00 N
669
+ ATOM 668 CA ASP A 90 0.059 8.787 9.487 1.00 0.00 C
670
+ ATOM 669 C ASP A 90 1.145 8.305 10.446 1.00 0.00 C
671
+ ATOM 670 CB ASP A 90 -1.325 8.460 10.052 1.00 0.00 C
672
+ ATOM 671 O ASP A 90 2.021 7.526 10.062 1.00 0.00 O
673
+ ATOM 672 CG ASP A 90 -1.591 6.968 10.145 1.00 0.00 C
674
+ ATOM 673 OD1 ASP A 90 -0.637 6.191 10.365 1.00 0.00 O
675
+ ATOM 674 OD2 ASP A 90 -2.765 6.566 9.992 1.00 0.00 O
676
+ ATOM 675 N ARG A 91 1.085 8.772 11.683 1.00 0.00 N
677
+ ATOM 676 CA ARG A 91 2.133 8.506 12.663 1.00 0.00 C
678
+ ATOM 677 C ARG A 91 2.289 7.008 12.904 1.00 0.00 C
679
+ ATOM 678 CB ARG A 91 1.833 9.220 13.981 1.00 0.00 C
680
+ ATOM 679 O ARG A 91 3.407 6.489 12.924 1.00 0.00 O
681
+ ATOM 680 CG ARG A 91 2.900 9.023 15.047 1.00 0.00 C
682
+ ATOM 681 CD ARG A 91 2.584 9.807 16.313 1.00 0.00 C
683
+ ATOM 682 NE ARG A 91 3.545 9.525 17.375 1.00 0.00 N
684
+ ATOM 683 NH1 ARG A 91 2.714 11.113 18.833 1.00 0.00 N
685
+ ATOM 684 NH2 ARG A 91 4.502 9.815 19.443 1.00 0.00 N
686
+ ATOM 685 CZ ARG A 91 3.584 10.151 18.548 1.00 0.00 C
687
+ ATOM 686 N GLU A 92 1.142 6.286 13.038 1.00 0.00 N
688
+ ATOM 687 CA GLU A 92 1.186 4.864 13.364 1.00 0.00 C
689
+ ATOM 688 C GLU A 92 1.755 4.049 12.205 1.00 0.00 C
690
+ ATOM 689 CB GLU A 92 -0.210 4.352 13.730 1.00 0.00 C
691
+ ATOM 690 O GLU A 92 2.570 3.148 12.415 1.00 0.00 O
692
+ ATOM 691 CG GLU A 92 -0.722 4.866 15.067 1.00 0.00 C
693
+ ATOM 692 CD GLU A 92 -2.136 4.408 15.384 1.00 0.00 C
694
+ ATOM 693 OE1 GLU A 92 -2.724 3.652 14.579 1.00 0.00 O
695
+ ATOM 694 OE2 GLU A 92 -2.661 4.811 16.446 1.00 0.00 O
696
+ ATOM 695 N THR A 93 1.328 4.351 10.975 1.00 0.00 N
697
+ ATOM 696 CA THR A 93 1.839 3.688 9.781 1.00 0.00 C
698
+ ATOM 697 C THR A 93 3.327 3.976 9.597 1.00 0.00 C
699
+ ATOM 698 CB THR A 93 1.069 4.131 8.522 1.00 0.00 C
700
+ ATOM 699 O THR A 93 4.101 3.080 9.254 1.00 0.00 O
701
+ ATOM 700 CG2 THR A 93 1.536 3.360 7.292 1.00 0.00 C
702
+ ATOM 701 OG1 THR A 93 -0.331 3.894 8.719 1.00 0.00 O
703
+ ATOM 702 N ASP A 94 3.712 5.247 9.860 1.00 0.00 N
704
+ ATOM 703 CA ASP A 94 5.119 5.620 9.760 1.00 0.00 C
705
+ ATOM 704 C ASP A 94 5.973 4.809 10.733 1.00 0.00 C
706
+ ATOM 705 CB ASP A 94 5.299 7.116 10.024 1.00 0.00 C
707
+ ATOM 706 O ASP A 94 7.004 4.254 10.348 1.00 0.00 O
708
+ ATOM 707 CG ASP A 94 6.690 7.617 9.681 1.00 0.00 C
709
+ ATOM 708 OD1 ASP A 94 7.259 7.183 8.656 1.00 0.00 O
710
+ ATOM 709 OD2 ASP A 94 7.225 8.450 10.444 1.00 0.00 O
711
+ ATOM 710 N GLU A 95 5.527 4.686 11.982 1.00 0.00 N
712
+ ATOM 711 CA GLU A 95 6.264 3.937 12.995 1.00 0.00 C
713
+ ATOM 712 C GLU A 95 6.380 2.464 12.617 1.00 0.00 C
714
+ ATOM 713 CB GLU A 95 5.593 4.079 14.364 1.00 0.00 C
715
+ ATOM 714 O GLU A 95 7.435 1.852 12.794 1.00 0.00 O
716
+ ATOM 715 CG GLU A 95 5.795 5.441 15.011 1.00 0.00 C
717
+ ATOM 716 CD GLU A 95 5.053 5.596 16.328 1.00 0.00 C
718
+ ATOM 717 OE1 GLU A 95 4.280 4.683 16.701 1.00 0.00 O
719
+ ATOM 718 OE2 GLU A 95 5.243 6.639 16.992 1.00 0.00 O
720
+ ATOM 719 N PHE A 96 5.301 1.975 12.124 1.00 0.00 N
721
+ ATOM 720 CA PHE A 96 5.300 0.581 11.697 1.00 0.00 C
722
+ ATOM 721 C PHE A 96 6.343 0.347 10.611 1.00 0.00 C
723
+ ATOM 722 CB PHE A 96 3.913 0.173 11.191 1.00 0.00 C
724
+ ATOM 723 O PHE A 96 7.133 -0.597 10.696 1.00 0.00 O
725
+ ATOM 724 CG PHE A 96 3.894 -1.150 10.474 1.00 0.00 C
726
+ ATOM 725 CD1 PHE A 96 3.964 -2.342 11.185 1.00 0.00 C
727
+ ATOM 726 CD2 PHE A 96 3.805 -1.202 9.089 1.00 0.00 C
728
+ ATOM 727 CE1 PHE A 96 3.946 -3.568 10.525 1.00 0.00 C
729
+ ATOM 728 CE2 PHE A 96 3.787 -2.424 8.422 1.00 0.00 C
730
+ ATOM 729 CZ PHE A 96 3.858 -3.606 9.142 1.00 0.00 C
731
+ ATOM 730 N PHE A 97 6.354 1.150 9.580 1.00 0.00 N
732
+ ATOM 731 CA PHE A 97 7.278 0.960 8.468 1.00 0.00 C
733
+ ATOM 732 C PHE A 97 8.717 1.193 8.914 1.00 0.00 C
734
+ ATOM 733 CB PHE A 97 6.929 1.899 7.310 1.00 0.00 C
735
+ ATOM 734 O PHE A 97 9.638 0.532 8.430 1.00 0.00 O
736
+ ATOM 735 CG PHE A 97 5.937 1.321 6.338 1.00 0.00 C
737
+ ATOM 736 CD1 PHE A 97 6.364 0.742 5.149 1.00 0.00 C
738
+ ATOM 737 CD2 PHE A 97 4.577 1.357 6.612 1.00 0.00 C
739
+ ATOM 738 CE1 PHE A 97 5.449 0.206 4.246 1.00 0.00 C
740
+ ATOM 739 CE2 PHE A 97 3.655 0.824 5.716 1.00 0.00 C
741
+ ATOM 740 CZ PHE A 97 4.093 0.249 4.533 1.00 0.00 C
742
+ ATOM 741 N LYS A 98 8.925 2.122 9.857 1.00 0.00 N
743
+ ATOM 742 CA LYS A 98 10.258 2.330 10.417 1.00 0.00 C
744
+ ATOM 743 C LYS A 98 10.743 1.086 11.156 1.00 0.00 C
745
+ ATOM 744 CB LYS A 98 10.263 3.535 11.358 1.00 0.00 C
746
+ ATOM 745 O LYS A 98 11.907 0.699 11.035 1.00 0.00 O
747
+ ATOM 746 CG LYS A 98 10.261 4.878 10.644 1.00 0.00 C
748
+ ATOM 747 CD LYS A 98 10.170 6.036 11.630 1.00 0.00 C
749
+ ATOM 748 CE LYS A 98 10.171 7.381 10.916 1.00 0.00 C
750
+ ATOM 749 NZ LYS A 98 9.857 8.504 11.850 1.00 0.00 N
751
+ ATOM 750 N LYS A 99 9.799 0.414 11.839 1.00 0.00 N
752
+ ATOM 751 CA LYS A 99 10.163 -0.816 12.536 1.00 0.00 C
753
+ ATOM 752 C LYS A 99 10.513 -1.925 11.548 1.00 0.00 C
754
+ ATOM 753 CB LYS A 99 9.027 -1.270 13.452 1.00 0.00 C
755
+ ATOM 754 O LYS A 99 11.284 -2.830 11.870 1.00 0.00 O
756
+ ATOM 755 CG LYS A 99 8.871 -0.428 14.710 1.00 0.00 C
757
+ ATOM 756 CD LYS A 99 7.691 -0.894 15.553 1.00 0.00 C
758
+ ATOM 757 CE LYS A 99 7.490 -0.007 16.774 1.00 0.00 C
759
+ ATOM 758 NZ LYS A 99 6.262 -0.384 17.536 1.00 0.00 N
760
+ ATOM 759 N CYS A 100 9.975 -1.776 10.378 1.00 0.00 N
761
+ ATOM 760 CA CYS A 100 10.217 -2.764 9.332 1.00 0.00 C
762
+ ATOM 761 C CYS A 100 11.444 -2.395 8.508 1.00 0.00 C
763
+ ATOM 762 CB CYS A 100 8.997 -2.890 8.419 1.00 0.00 C
764
+ ATOM 763 O CYS A 100 11.907 -3.189 7.686 1.00 0.00 O
765
+ ATOM 764 SG CYS A 100 7.500 -3.429 9.276 1.00 0.00 S
766
+ ATOM 765 N ARG A 101 11.956 -1.108 8.712 1.00 0.00 N
767
+ ATOM 766 CA ARG A 101 13.066 -0.553 7.943 1.00 0.00 C
768
+ ATOM 767 C ARG A 101 12.735 -0.513 6.456 1.00 0.00 C
769
+ ATOM 768 CB ARG A 101 14.341 -1.367 8.175 1.00 0.00 C
770
+ ATOM 769 O ARG A 101 13.575 -0.848 5.618 1.00 0.00 O
771
+ ATOM 770 CG ARG A 101 14.831 -1.347 9.614 1.00 0.00 C
772
+ ATOM 771 CD ARG A 101 16.173 -2.051 9.763 1.00 0.00 C
773
+ ATOM 772 NE ARG A 101 16.622 -2.068 11.152 1.00 0.00 N
774
+ ATOM 773 NH1 ARG A 101 18.590 -3.199 10.719 1.00 0.00 N
775
+ ATOM 774 NH2 ARG A 101 18.070 -2.571 12.862 1.00 0.00 N
776
+ ATOM 775 CZ ARG A 101 17.759 -2.612 11.574 1.00 0.00 C
777
+ ATOM 776 N VAL A 102 11.566 -0.201 6.168 1.00 0.00 N
778
+ ATOM 777 CA VAL A 102 11.070 -0.080 4.800 1.00 0.00 C
779
+ ATOM 778 C VAL A 102 10.534 1.331 4.569 1.00 0.00 C
780
+ ATOM 779 CB VAL A 102 9.974 -1.125 4.498 1.00 0.00 C
781
+ ATOM 780 O VAL A 102 9.820 1.876 5.414 1.00 0.00 O
782
+ ATOM 781 CG1 VAL A 102 9.372 -0.892 3.114 1.00 0.00 C
783
+ ATOM 782 CG2 VAL A 102 10.540 -2.540 4.606 1.00 0.00 C
784
+ ATOM 783 N ILE A 103 10.904 1.911 3.459 1.00 0.00 N
785
+ ATOM 784 CA ILE A 103 10.282 3.156 3.022 1.00 0.00 C
786
+ ATOM 785 C ILE A 103 8.952 2.857 2.337 1.00 0.00 C
787
+ ATOM 786 CB ILE A 103 11.209 3.948 2.072 1.00 0.00 C
788
+ ATOM 787 O ILE A 103 8.908 2.125 1.345 1.00 0.00 O
789
+ ATOM 788 CG1 ILE A 103 12.522 4.303 2.779 1.00 0.00 C
790
+ ATOM 789 CG2 ILE A 103 10.506 5.207 1.558 1.00 0.00 C
791
+ ATOM 790 CD1 ILE A 103 13.585 4.882 1.856 1.00 0.00 C
792
+ ATOM 791 N PRO A 104 7.822 3.342 2.860 1.00 0.00 N
793
+ ATOM 792 CA PRO A 104 6.552 3.085 2.177 1.00 0.00 C
794
+ ATOM 793 C PRO A 104 6.570 3.519 0.713 1.00 0.00 C
795
+ ATOM 794 CB PRO A 104 5.546 3.915 2.979 1.00 0.00 C
796
+ ATOM 795 O PRO A 104 7.250 4.486 0.361 1.00 0.00 O
797
+ ATOM 796 CG PRO A 104 6.256 4.250 4.252 1.00 0.00 C
798
+ ATOM 797 CD PRO A 104 7.731 4.310 3.973 1.00 0.00 C
799
+ ATOM 798 N SER A 105 5.918 2.827 -0.068 1.00 0.00 N
800
+ ATOM 799 CA SER A 105 5.737 3.128 -1.484 1.00 0.00 C
801
+ ATOM 800 C SER A 105 4.339 2.743 -1.957 1.00 0.00 C
802
+ ATOM 801 CB SER A 105 6.787 2.401 -2.325 1.00 0.00 C
803
+ ATOM 802 O SER A 105 3.577 2.122 -1.214 1.00 0.00 O
804
+ ATOM 803 OG SER A 105 6.489 1.018 -2.416 1.00 0.00 O
805
+ ATOM 804 N GLN A 106 4.042 3.113 -3.126 1.00 0.00 N
806
+ ATOM 805 CA GLN A 106 2.729 2.802 -3.680 1.00 0.00 C
807
+ ATOM 806 C GLN A 106 2.498 1.294 -3.735 1.00 0.00 C
808
+ ATOM 807 CB GLN A 106 2.576 3.408 -5.075 1.00 0.00 C
809
+ ATOM 808 O GLN A 106 1.353 0.836 -3.759 1.00 0.00 O
810
+ ATOM 809 CG GLN A 106 2.425 4.923 -5.074 1.00 0.00 C
811
+ ATOM 810 CD GLN A 106 2.030 5.475 -6.431 1.00 0.00 C
812
+ ATOM 811 NE2 GLN A 106 2.498 6.680 -6.741 1.00 0.00 N
813
+ ATOM 812 OE1 GLN A 106 1.312 4.823 -7.197 1.00 0.00 O
814
+ ATOM 813 N GLU A 107 3.543 0.519 -3.719 1.00 0.00 N
815
+ ATOM 814 CA GLU A 107 3.422 -0.935 -3.722 1.00 0.00 C
816
+ ATOM 815 C GLU A 107 2.707 -1.434 -2.470 1.00 0.00 C
817
+ ATOM 816 CB GLU A 107 4.802 -1.590 -3.835 1.00 0.00 C
818
+ ATOM 817 O GLU A 107 2.132 -2.524 -2.469 1.00 0.00 O
819
+ ATOM 818 CG GLU A 107 5.498 -1.330 -5.162 1.00 0.00 C
820
+ ATOM 819 CD GLU A 107 6.868 -1.984 -5.260 1.00 0.00 C
821
+ ATOM 820 OE1 GLU A 107 7.317 -2.601 -4.267 1.00 0.00 O
822
+ ATOM 821 OE2 GLU A 107 7.496 -1.878 -6.337 1.00 0.00 O
823
+ ATOM 822 N HIS A 108 2.739 -0.646 -1.477 1.00 0.00 N
824
+ ATOM 823 CA HIS A 108 2.189 -1.053 -0.189 1.00 0.00 C
825
+ ATOM 824 C HIS A 108 0.742 -0.596 -0.039 1.00 0.00 C
826
+ ATOM 825 CB HIS A 108 3.036 -0.495 0.957 1.00 0.00 C
827
+ ATOM 826 O HIS A 108 0.133 -0.784 1.017 1.00 0.00 O
828
+ ATOM 827 CG HIS A 108 4.441 -1.009 0.968 1.00 0.00 C
829
+ ATOM 828 CD2 HIS A 108 4.937 -2.233 1.265 1.00 0.00 C
830
+ ATOM 829 ND1 HIS A 108 5.525 -0.220 0.648 1.00 0.00 N
831
+ ATOM 830 CE1 HIS A 108 6.630 -0.940 0.747 1.00 0.00 C
832
+ ATOM 831 NE2 HIS A 108 6.300 -2.165 1.120 1.00 0.00 N
833
+ ATOM 832 N LEU A 109 0.132 0.029 -1.092 1.00 0.00 N
834
+ ATOM 833 CA LEU A 109 -1.263 0.454 -1.038 1.00 0.00 C
835
+ ATOM 834 C LEU A 109 -2.197 -0.752 -1.004 1.00 0.00 C
836
+ ATOM 835 CB LEU A 109 -1.599 1.341 -2.240 1.00 0.00 C
837
+ ATOM 836 O LEU A 109 -3.167 -0.769 -0.244 1.00 0.00 O
838
+ ATOM 837 CG LEU A 109 -1.003 2.750 -2.230 1.00 0.00 C
839
+ ATOM 838 CD1 LEU A 109 -1.217 3.425 -3.581 1.00 0.00 C
840
+ ATOM 839 CD2 LEU A 109 -1.616 3.581 -1.107 1.00 0.00 C
841
+ ATOM 840 N ASN A 110 -1.910 -1.798 -1.805 1.00 0.00 N
842
+ ATOM 841 CA ASN A 110 -2.744 -2.990 -1.909 1.00 0.00 C
843
+ ATOM 842 C ASN A 110 -1.915 -4.267 -1.799 1.00 0.00 C
844
+ ATOM 843 CB ASN A 110 -3.532 -2.980 -3.221 1.00 0.00 C
845
+ ATOM 844 O ASN A 110 -2.467 -5.361 -1.678 1.00 0.00 O
846
+ ATOM 845 CG ASN A 110 -4.500 -1.817 -3.312 1.00 0.00 C
847
+ ATOM 846 ND2 ASN A 110 -4.462 -1.100 -4.429 1.00 0.00 N
848
+ ATOM 847 OD1 ASN A 110 -5.275 -1.564 -2.385 1.00 0.00 O
849
+ ATOM 848 N GLY A 111 -0.589 -4.063 -1.875 1.00 0.00 N
850
+ ATOM 849 CA GLY A 111 0.282 -5.226 -1.794 1.00 0.00 C
851
+ ATOM 850 C GLY A 111 0.567 -5.659 -0.368 1.00 0.00 C
852
+ ATOM 851 O GLY A 111 -0.047 -5.155 0.575 1.00 0.00 O
853
+ ATOM 852 N PRO A 112 1.386 -6.598 -0.284 1.00 0.00 N
854
+ ATOM 853 CA PRO A 112 1.699 -7.092 1.060 1.00 0.00 C
855
+ ATOM 854 C PRO A 112 2.410 -6.050 1.921 1.00 0.00 C
856
+ ATOM 855 CB PRO A 112 2.609 -8.292 0.792 1.00 0.00 C
857
+ ATOM 856 O PRO A 112 3.177 -5.234 1.402 1.00 0.00 O
858
+ ATOM 857 CG PRO A 112 3.215 -8.021 -0.548 1.00 0.00 C
859
+ ATOM 858 CD PRO A 112 2.232 -7.231 -1.364 1.00 0.00 C
860
+ ATOM 859 N LEU A 113 2.137 -6.053 3.172 1.00 0.00 N
861
+ ATOM 860 CA LEU A 113 2.829 -5.188 4.123 1.00 0.00 C
862
+ ATOM 861 C LEU A 113 4.145 -5.815 4.570 1.00 0.00 C
863
+ ATOM 862 CB LEU A 113 1.942 -4.913 5.339 1.00 0.00 C
864
+ ATOM 863 O LEU A 113 4.279 -7.040 4.589 1.00 0.00 O
865
+ ATOM 864 CG LEU A 113 0.714 -4.034 5.098 1.00 0.00 C
866
+ ATOM 865 CD1 LEU A 113 -0.143 -3.963 6.358 1.00 0.00 C
867
+ ATOM 866 CD2 LEU A 113 1.133 -2.638 4.651 1.00 0.00 C
868
+ ATOM 867 N PRO A 114 5.113 -5.018 4.821 1.00 0.00 N
869
+ ATOM 868 CA PRO A 114 6.375 -5.551 5.340 1.00 0.00 C
870
+ ATOM 869 C PRO A 114 6.233 -6.150 6.737 1.00 0.00 C
871
+ ATOM 870 CB PRO A 114 7.293 -4.326 5.362 1.00 0.00 C
872
+ ATOM 871 O PRO A 114 5.237 -5.901 7.422 1.00 0.00 O
873
+ ATOM 872 CG PRO A 114 6.373 -3.163 5.553 1.00 0.00 C
874
+ ATOM 873 CD PRO A 114 5.066 -3.474 4.882 1.00 0.00 C
875
+ ATOM 874 N VAL A 115 7.148 -6.878 7.121 1.00 0.00 N
876
+ ATOM 875 CA VAL A 115 7.165 -7.539 8.421 1.00 0.00 C
877
+ ATOM 876 C VAL A 115 8.167 -6.844 9.341 1.00 0.00 C
878
+ ATOM 877 CB VAL A 115 7.513 -9.039 8.291 1.00 0.00 C
879
+ ATOM 878 O VAL A 115 9.321 -6.631 8.965 1.00 0.00 O
880
+ ATOM 879 CG1 VAL A 115 7.537 -9.709 9.664 1.00 0.00 C
881
+ ATOM 880 CG2 VAL A 115 6.517 -9.738 7.368 1.00 0.00 C
882
+ ATOM 881 N PRO A 116 7.725 -6.419 10.511 1.00 0.00 N
883
+ ATOM 882 CA PRO A 116 8.651 -5.754 11.432 1.00 0.00 C
884
+ ATOM 883 C PRO A 116 9.793 -6.663 11.879 1.00 0.00 C
885
+ ATOM 884 CB PRO A 116 7.759 -5.376 12.617 1.00 0.00 C
886
+ ATOM 885 O PRO A 116 9.610 -7.877 12.001 1.00 0.00 O
887
+ ATOM 886 CG PRO A 116 6.366 -5.425 12.078 1.00 0.00 C
888
+ ATOM 887 CD PRO A 116 6.333 -6.392 10.930 1.00 0.00 C
889
+ ATOM 888 N PHE A 117 10.922 -6.009 11.978 1.00 0.00 N
890
+ ATOM 889 CA PHE A 117 12.043 -6.741 12.553 1.00 0.00 C
891
+ ATOM 890 C PHE A 117 11.793 -7.046 14.026 1.00 0.00 C
892
+ ATOM 891 CB PHE A 117 13.343 -5.945 12.396 1.00 0.00 C
893
+ ATOM 892 O PHE A 117 11.216 -6.227 14.745 1.00 0.00 O
894
+ ATOM 893 CG PHE A 117 13.915 -5.985 11.005 1.00 0.00 C
895
+ ATOM 894 CD1 PHE A 117 14.782 -7.003 10.624 1.00 0.00 C
896
+ ATOM 895 CD2 PHE A 117 13.587 -5.006 10.077 1.00 0.00 C
897
+ ATOM 896 CE1 PHE A 117 15.313 -7.043 9.337 1.00 0.00 C
898
+ ATOM 897 CE2 PHE A 117 14.113 -5.039 8.789 1.00 0.00 C
899
+ ATOM 898 CZ PHE A 117 14.977 -6.059 8.422 1.00 0.00 C
900
+ ATOM 899 N THR A 118 11.889 -8.225 14.432 1.00 0.00 N
901
+ ATOM 900 CA THR A 118 11.779 -8.641 15.825 1.00 0.00 C
902
+ ATOM 901 C THR A 118 13.115 -8.477 16.545 1.00 0.00 C
903
+ ATOM 902 CB THR A 118 11.309 -10.104 15.936 1.00 0.00 C
904
+ ATOM 903 O THR A 118 14.164 -8.379 15.905 1.00 0.00 O
905
+ ATOM 904 CG2 THR A 118 9.975 -10.308 15.228 1.00 0.00 C
906
+ ATOM 905 OG1 THR A 118 12.291 -10.960 15.339 1.00 0.00 O
907
+ ATOM 906 N ASN A 119 13.088 -8.157 17.922 1.00 0.00 N
908
+ ATOM 907 CA ASN A 119 14.271 -8.035 18.766 1.00 0.00 C
909
+ ATOM 908 C ASN A 119 15.317 -9.091 18.421 1.00 0.00 C
910
+ ATOM 909 CB ASN A 119 13.888 -8.130 20.244 1.00 0.00 C
911
+ ATOM 910 O ASN A 119 16.515 -8.800 18.394 1.00 0.00 O
912
+ ATOM 911 CG ASN A 119 13.346 -6.825 20.792 1.00 0.00 C
913
+ ATOM 912 ND2 ASN A 119 12.657 -6.898 21.925 1.00 0.00 N
914
+ ATOM 913 OD1 ASN A 119 13.544 -5.760 20.202 1.00 0.00 O
915
+ ATOM 914 N GLY A 120 14.916 -10.335 18.255 1.00 0.00 N
916
+ ATOM 915 CA GLY A 120 15.863 -11.382 17.903 1.00 0.00 C
917
+ ATOM 916 C GLY A 120 16.579 -11.123 16.591 1.00 0.00 C
918
+ ATOM 917 O GLY A 120 17.777 -11.385 16.470 1.00 0.00 O
919
+ ATOM 918 N GLU A 121 15.968 -10.607 15.634 1.00 0.00 N
920
+ ATOM 919 CA GLU A 121 16.620 -10.234 14.383 1.00 0.00 C
921
+ ATOM 920 C GLU A 121 17.537 -9.029 14.576 1.00 0.00 C
922
+ ATOM 921 CB GLU A 121 15.579 -9.933 13.302 1.00 0.00 C
923
+ ATOM 922 O GLU A 121 18.602 -8.948 13.960 1.00 0.00 O
924
+ ATOM 923 CG GLU A 121 14.938 -11.178 12.704 1.00 0.00 C
925
+ ATOM 924 CD GLU A 121 13.782 -10.865 11.768 1.00 0.00 C
926
+ ATOM 925 OE1 GLU A 121 13.131 -9.810 11.937 1.00 0.00 O
927
+ ATOM 926 OE2 GLU A 121 13.523 -11.684 10.857 1.00 0.00 O
928
+ ATOM 927 N ILE A 122 17.163 -8.123 15.390 1.00 0.00 N
929
+ ATOM 928 CA ILE A 122 18.028 -6.997 15.724 1.00 0.00 C
930
+ ATOM 929 C ILE A 122 19.289 -7.503 16.420 1.00 0.00 C
931
+ ATOM 930 CB ILE A 122 17.298 -5.968 16.617 1.00 0.00 C
932
+ ATOM 931 O ILE A 122 20.399 -7.069 16.103 1.00 0.00 O
933
+ ATOM 932 CG1 ILE A 122 16.115 -5.350 15.864 1.00 0.00 C
934
+ ATOM 933 CG2 ILE A 122 18.269 -4.885 17.097 1.00 0.00 C
935
+ ATOM 934 CD1 ILE A 122 15.251 -4.431 16.715 1.00 0.00 C
936
+ ATOM 935 N GLN A 123 19.098 -8.396 17.428 1.00 0.00 N
937
+ ATOM 936 CA GLN A 123 20.243 -8.922 18.164 1.00 0.00 C
938
+ ATOM 937 C GLN A 123 21.150 -9.746 17.255 1.00 0.00 C
939
+ ATOM 938 CB GLN A 123 19.778 -9.770 19.349 1.00 0.00 C
940
+ ATOM 939 O GLN A 123 22.376 -9.663 17.353 1.00 0.00 O
941
+ ATOM 940 CG GLN A 123 19.400 -8.956 20.578 1.00 0.00 C
942
+ ATOM 941 CD GLN A 123 19.168 -9.818 21.804 1.00 0.00 C
943
+ ATOM 942 NE2 GLN A 123 19.066 -9.181 22.967 1.00 0.00 N
944
+ ATOM 943 OE1 GLN A 123 19.079 -11.047 21.709 1.00 0.00 O
945
+ ATOM 944 N LYS A 124 20.543 -10.568 16.394 1.00 0.00 N
946
+ ATOM 945 CA LYS A 124 21.371 -11.337 15.471 1.00 0.00 C
947
+ ATOM 946 C LYS A 124 22.200 -10.418 14.578 1.00 0.00 C
948
+ ATOM 947 CB LYS A 124 20.503 -12.259 14.611 1.00 0.00 C
949
+ ATOM 948 O LYS A 124 23.368 -10.701 14.303 1.00 0.00 O
950
+ ATOM 949 CG LYS A 124 20.204 -13.605 15.253 1.00 0.00 C
951
+ ATOM 950 CD LYS A 124 19.418 -14.510 14.314 1.00 0.00 C
952
+ ATOM 951 CE LYS A 124 19.032 -15.819 14.990 1.00 0.00 C
953
+ ATOM 952 NZ LYS A 124 18.256 -16.708 14.074 1.00 0.00 N
954
+ ATOM 953 N GLU A 125 21.581 -9.269 14.047 1.00 0.00 N
955
+ ATOM 954 CA GLU A 125 22.356 -8.328 13.242 1.00 0.00 C
956
+ ATOM 955 C GLU A 125 23.503 -7.726 14.050 1.00 0.00 C
957
+ ATOM 956 CB GLU A 125 21.455 -7.217 12.697 1.00 0.00 C
958
+ ATOM 957 O GLU A 125 24.596 -7.514 13.522 1.00 0.00 O
959
+ ATOM 958 CG GLU A 125 21.352 -7.198 11.180 1.00 0.00 C
960
+ ATOM 959 CD GLU A 125 20.515 -6.044 10.649 1.00 0.00 C
961
+ ATOM 960 OE1 GLU A 125 19.930 -5.294 11.464 1.00 0.00 O
962
+ ATOM 961 OE2 GLU A 125 20.443 -5.890 9.410 1.00 0.00 O
963
+ ATOM 962 N ASN A 126 23.281 -7.345 15.169 1.00 0.00 N
964
+ ATOM 963 CA ASN A 126 24.337 -6.762 15.990 1.00 0.00 C
965
+ ATOM 964 C ASN A 126 25.413 -7.791 16.331 1.00 0.00 C
966
+ ATOM 965 CB ASN A 126 23.752 -6.161 17.270 1.00 0.00 C
967
+ ATOM 966 O ASN A 126 26.566 -7.432 16.574 1.00 0.00 O
968
+ ATOM 967 CG ASN A 126 23.083 -4.822 17.033 1.00 0.00 C
969
+ ATOM 968 ND2 ASN A 126 22.268 -4.390 17.988 1.00 0.00 N
970
+ ATOM 969 OD1 ASN A 126 23.296 -4.182 16.000 1.00 0.00 O
971
+ ATOM 970 N SER A 127 24.944 -9.100 16.461 1.00 0.00 N
972
+ ATOM 971 CA SER A 127 25.940 -10.105 16.820 1.00 0.00 C
973
+ ATOM 972 C SER A 127 26.854 -10.423 15.641 1.00 0.00 C
974
+ ATOM 973 CB SER A 127 25.259 -11.384 17.308 1.00 0.00 C
975
+ ATOM 974 O SER A 127 27.933 -10.991 15.822 1.00 0.00 O
976
+ ATOM 975 OG SER A 127 24.014 -11.571 16.657 1.00 0.00 O
977
+ ATOM 976 N ARG A 128 26.412 -9.885 14.488 1.00 0.00 N
978
+ ATOM 977 CA ARG A 128 27.295 -10.076 13.343 1.00 0.00 C
979
+ ATOM 978 C ARG A 128 28.249 -8.897 13.184 1.00 0.00 C
980
+ ATOM 979 CB ARG A 128 26.481 -10.266 12.061 1.00 0.00 C
981
+ ATOM 980 O ARG A 128 29.422 -9.080 12.852 1.00 0.00 O
982
+ ATOM 981 CG ARG A 128 25.748 -11.597 11.988 1.00 0.00 C
983
+ ATOM 982 CD ARG A 128 24.995 -11.754 10.674 1.00 0.00 C
984
+ ATOM 983 NE ARG A 128 24.211 -12.986 10.648 1.00 0.00 N
985
+ ATOM 984 NH1 ARG A 128 23.378 -12.653 8.519 1.00 0.00 N
986
+ ATOM 985 NH2 ARG A 128 22.788 -14.523 9.706 1.00 0.00 N
987
+ ATOM 986 CZ ARG A 128 23.461 -13.385 9.624 1.00 0.00 C
988
+ ATOM 987 OXT ARG A 128 27.337 -8.182 13.476 1.00 0.00 O
989
+ TER 988 ARG A 128
990
+ END
2m0v/2m0v_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2pj3/2pj3_ligand.mol2 ADDED
@@ -0,0 +1,139 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:57 2018
3
+ ###
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2pj3/2pj3_ligand.sdf ADDED
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+ $$$$
2pj3/2pj3_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2pj3/2pj3_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff