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THU-ATOM
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PDBbind

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linbc20 commited on
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7298652
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1 Parent(s): 9d57815

Add batch 23

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  1. 1b6j/1b6j_ligand.mol2 +224 -0
  2. 1b6j/1b6j_ligand.sdf +214 -0
  3. 1b6j/1b6j_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1b6j/1b6j_protein_processed_fix.pdb +0 -0
  5. 1cbx/1cbx_ligand.mol2 +66 -0
  6. 1cbx/1cbx_ligand.sdf +60 -0
  7. 1cbx/1cbx_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1cbx/1cbx_protein_processed_fix.pdb +0 -0
  9. 1d4y/1d4y_ligand.mol2 +169 -0
  10. 1d4y/1d4y_ligand.sdf +159 -0
  11. 1d4y/1d4y_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1d4y/1d4y_protein_processed_fix.pdb +0 -0
  13. 1grp/1grp_ligand.mol2 +51 -0
  14. 1grp/1grp_ligand.sdf +47 -0
  15. 1grp/1grp_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1grp/1grp_protein_processed_fix.pdb +0 -0
  17. 1inc/1inc_ligand.mol2 +110 -0
  18. 1inc/1inc_ligand.sdf +100 -0
  19. 1inc/1inc_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1inc/1inc_protein_processed_fix.pdb +0 -0
  21. 1noi/1noi_ligand.mol2 +65 -0
  22. 1noi/1noi_ligand.sdf +55 -0
  23. 1noi/1noi_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1noi/1noi_protein_processed_fix.pdb +0 -0
  25. 1nym/1nym_ligand.mol2 +72 -0
  26. 1nym/1nym_ligand.sdf +62 -0
  27. 1nym/1nym_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1nym/1nym_protein_processed_fix.pdb +0 -0
  29. 1o49/1o49_ligand.mol2 +175 -0
  30. 1o49/1o49_ligand.sdf +171 -0
  31. 1o49/1o49_protein_esmfold_aligned_tr_fix.pdb +857 -0
  32. 1o49/1o49_protein_processed_fix.pdb +0 -0
  33. 1okw/1okw_ligand.mol2 +236 -0
  34. 1okw/1okw_ligand.sdf +222 -0
  35. 1okw/1okw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1okw/1okw_protein_processed_fix.pdb +0 -0
  37. 1zzz/1zzz_ligand.mol2 +131 -0
  38. 1zzz/1zzz_ligand.sdf +119 -0
  39. 1zzz/1zzz_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1zzz/1zzz_protein_processed_fix.pdb +0 -0
  41. 2c5o/2c5o_ligand.mol2 +65 -0
  42. 2c5o/2c5o_ligand.sdf +55 -0
  43. 2c5o/2c5o_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2c5o/2c5o_protein_processed_fix.pdb +0 -0
  45. 2ez5/2ez5_ligand.mol2 +344 -0
  46. 2ez5/2ez5_ligand.sdf +336 -0
  47. 2ez5/2ez5_protein_esmfold_aligned_tr_fix.pdb +365 -0
  48. 2ez5/2ez5_protein_processed_fix.pdb +709 -0
  49. 2g97/2g97_ligand.mol2 +134 -0
  50. 2g97/2g97_ligand.sdf +124 -0
1b6j/1b6j_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
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+ ###
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+ @<TRIPOS>MOLECULE
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+ 1b6j_ligand
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+ 103 105 1 0 0
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+ SMALL
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+ GAST_HUCK
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+ 4 C4 4.8970 3.7810 9.3140 C.3 1 RTY 0.0398
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+ 5 N5 3.9350 2.1390 10.8180 N.am 1 ASN -0.2635
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+ 6 C6 3.2650 1.6680 12.0450 C.3 1 ASN 0.1474
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+ 8 O8 3.9570 -0.6280 11.9920 O.2 1 ASN -0.3943
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+ 9 C9 1.8040 1.3250 11.7710 C.3 1 ASN 0.0773
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+ 12 N12 0.8940 2.5410 9.8930 N.am 1 ASN -0.3007
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+ 20 C20 7.7340 0.8310 10.6380 C.ar 1 RTY -0.0396
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+ 21 C21 7.7080 2.2200 10.5750 C.ar 1 RTY 0.0840
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+ 23 C23 7.4460 4.1620 9.0120 C.3 1 RTY 0.0710
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+ 24 C24 5.1540 -0.6860 15.5970 C.3 1 RTY 0.1192
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+ 25 O25 5.2480 0.4690 16.4450 O.3 1 RTY -0.3841
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+ 30 O30 5.8130 -4.1120 14.7460 O.2 1 PRO -0.3907
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+ 31 C31 3.1600 -4.4580 16.7160 C.3 1 PRO 0.0128
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+ 32 C32 2.5420 -4.6660 15.3720 C.3 1 PRO -0.0052
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+ 33 C33 2.3670 -3.2470 14.8510 C.3 1 PRO -0.0294
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+ 34 N34 6.2670 -4.5230 16.9150 N.am 1 ILE -0.2608
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+ 35 C35 7.5050 -5.2630 16.6770 C.3 1 ILE 0.1336
48
+ 36 C36 7.3570 -6.4010 17.6690 C.2 1 ILE 0.2042
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+ 37 O37 7.3650 -6.1760 18.8800 O.2 1 ILE -0.3944
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+ 38 C38 8.7830 -4.4560 17.0160 C.3 1 ILE -0.0037
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+ 39 C39 8.9550 -3.2820 16.0500 C.3 1 ILE -0.0491
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87
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97
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+ 87 H38 9.8855 -6.2085 17.6281 H 1 ILE 0.0235
100
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214
+ $$$$
1b6j/1b6j_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1b6j/1b6j_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1cbx/1cbx_ligand.mol2 ADDED
@@ -0,0 +1,66 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
3
+ ###
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+
5
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1cbx/1cbx_ligand.sdf ADDED
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+ $$$$
1cbx/1cbx_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1cbx/1cbx_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1d4y/1d4y_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
3
+ ###
4
+
5
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11
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12
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14
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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
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20
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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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169
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1grp/1grp_ligand.mol2 ADDED
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1grp/1grp_protein_processed_fix.pdb ADDED
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1inc/1inc_ligand.mol2 ADDED
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1inc/1inc_ligand.sdf ADDED
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+ ATOM 85 CA GLY A 10 4.994 25.598 12.121 1.00 92.96 C
86
+ ATOM 86 N GLY A 10 4.558 24.793 13.250 1.00 93.21 N
87
+ ATOM 87 O GLY A 10 6.898 26.516 13.240 1.00 91.80 O
88
+ ATOM 88 C LYS A 11 6.130 29.871 13.478 1.00 91.59 C
89
+ ATOM 89 CA LYS A 11 6.490 29.113 12.204 1.00 92.09 C
90
+ ATOM 90 CB LYS A 11 6.434 30.054 11.000 1.00 90.46 C
91
+ ATOM 91 CD LYS A 11 6.961 30.456 8.572 1.00 79.77 C
92
+ ATOM 92 CE LYS A 11 7.482 29.844 7.279 1.00 73.45 C
93
+ ATOM 93 CG LYS A 11 7.008 29.459 9.723 1.00 84.14 C
94
+ ATOM 94 N LYS A 11 5.603 27.970 12.004 1.00 92.20 N
95
+ ATOM 95 NZ LYS A 11 7.392 30.802 6.137 1.00 63.07 N
96
+ ATOM 96 O LYS A 11 5.354 30.828 13.440 1.00 89.78 O
97
+ ATOM 97 C ILE A 12 7.689 30.393 16.415 1.00 92.69 C
98
+ ATOM 98 CA ILE A 12 6.302 30.142 15.828 1.00 92.74 C
99
+ ATOM 99 CB ILE A 12 5.406 29.418 16.858 1.00 91.92 C
100
+ ATOM 100 CD1 ILE A 12 5.489 27.543 18.603 1.00 85.36 C
101
+ ATOM 101 CG1 ILE A 12 6.063 28.109 17.311 1.00 89.02 C
102
+ ATOM 102 CG2 ILE A 12 4.013 29.159 16.276 1.00 88.88 C
103
+ ATOM 103 N ILE A 12 6.419 29.376 14.592 1.00 92.83 N
104
+ ATOM 104 O ILE A 12 8.607 29.594 16.214 1.00 91.77 O
105
+ ATOM 105 C THR A 13 9.483 31.061 18.890 1.00 92.81 C
106
+ ATOM 106 CA THR A 13 9.152 31.907 17.664 1.00 92.43 C
107
+ ATOM 107 CB THR A 13 9.168 33.399 18.048 1.00 91.32 C
108
+ ATOM 108 CG2 THR A 13 8.773 34.276 16.863 1.00 85.06 C
109
+ ATOM 109 N THR A 13 7.862 31.520 17.101 1.00 92.27 N
110
+ ATOM 110 O THR A 13 8.595 30.455 19.491 1.00 92.35 O
111
+ ATOM 111 OG1 THR A 13 8.246 33.621 19.121 1.00 85.72 O
112
+ ATOM 112 C ARG A 14 10.482 30.952 21.580 1.00 92.34 C
113
+ ATOM 113 CA ARG A 14 11.217 30.401 20.364 1.00 92.50 C
114
+ ATOM 114 CB ARG A 14 12.725 30.595 20.530 1.00 91.16 C
115
+ ATOM 115 CD ARG A 14 14.803 30.128 21.874 1.00 82.90 C
116
+ ATOM 116 CG ARG A 14 13.292 29.968 21.794 1.00 85.48 C
117
+ ATOM 117 CZ ARG A 14 16.221 28.553 23.149 1.00 75.41 C
118
+ ATOM 118 N ARG A 14 10.750 31.036 19.136 1.00 92.44 N
119
+ ATOM 119 NE ARG A 14 15.341 29.549 23.103 1.00 79.14 N
120
+ ATOM 120 NH1 ARG A 14 16.682 28.002 22.032 1.00 66.66 N
121
+ ATOM 121 NH2 ARG A 14 16.645 28.105 24.321 1.00 64.94 N
122
+ ATOM 122 O ARG A 14 10.037 30.190 22.442 1.00 91.51 O
123
+ ATOM 123 C ARG A 15 8.211 32.465 22.924 1.00 92.68 C
124
+ ATOM 124 CA ARG A 15 9.675 32.876 22.815 1.00 92.43 C
125
+ ATOM 125 CB ARG A 15 9.784 34.396 22.680 1.00 90.72 C
126
+ ATOM 126 CD ARG A 15 9.478 36.662 23.735 1.00 76.04 C
127
+ ATOM 127 CG ARG A 15 9.300 35.160 23.902 1.00 80.65 C
128
+ ATOM 128 CZ ARG A 15 9.068 38.713 25.055 1.00 66.28 C
129
+ ATOM 129 N ARG A 15 10.324 32.213 21.689 1.00 92.45 N
130
+ ATOM 130 NE ARG A 15 8.979 37.396 24.896 1.00 70.24 N
131
+ ATOM 131 NH1 ARG A 15 9.643 39.471 24.127 1.00 53.08 N
132
+ ATOM 132 NH2 ARG A 15 8.580 39.279 26.149 1.00 48.32 N
133
+ ATOM 133 O ARG A 15 7.705 32.234 24.024 1.00 91.98 O
134
+ ATOM 134 C GLU A 16 5.959 30.571 22.238 1.00 93.19 C
135
+ ATOM 135 CA GLU A 16 6.092 32.032 21.818 1.00 92.82 C
136
+ ATOM 136 CB GLU A 16 5.459 32.243 20.440 1.00 91.23 C
137
+ ATOM 137 CD GLU A 16 3.115 32.627 21.340 1.00 75.89 C
138
+ ATOM 138 CG GLU A 16 3.991 31.850 20.370 1.00 81.51 C
139
+ ATOM 139 N GLU A 16 7.488 32.456 21.812 1.00 92.89 N
140
+ ATOM 140 O GLU A 16 5.048 30.215 22.986 1.00 92.54 O
141
+ ATOM 141 OE1 GLU A 16 3.609 33.594 21.963 1.00 71.01 O
142
+ ATOM 142 OE2 GLU A 16 1.925 32.265 21.479 1.00 68.99 O
143
+ ATOM 143 C SER A 17 7.085 28.220 23.680 1.00 93.59 C
144
+ ATOM 144 CA SER A 17 6.890 28.352 22.174 1.00 93.84 C
145
+ ATOM 145 CB SER A 17 7.967 27.553 21.439 1.00 92.99 C
146
+ ATOM 146 N SER A 17 6.919 29.751 21.757 1.00 93.68 N
147
+ ATOM 147 O SER A 17 6.421 27.409 24.328 1.00 92.76 O
148
+ ATOM 148 OG SER A 17 9.261 27.930 21.877 1.00 83.23 O
149
+ ATOM 149 C GLU A 18 6.929 29.391 26.443 1.00 92.19 C
150
+ ATOM 150 CA GLU A 18 8.171 28.943 25.679 1.00 92.67 C
151
+ ATOM 151 CB GLU A 18 9.365 29.826 26.051 1.00 91.82 C
152
+ ATOM 152 CD GLU A 18 11.869 30.210 25.863 1.00 86.95 C
153
+ ATOM 153 CG GLU A 18 10.709 29.256 25.623 1.00 88.89 C
154
+ ATOM 154 N GLU A 18 7.943 28.969 24.237 1.00 92.77 N
155
+ ATOM 155 O GLU A 18 6.563 28.786 27.453 1.00 91.14 O
156
+ ATOM 156 OE1 GLU A 18 11.627 31.376 26.248 1.00 84.96 O
157
+ ATOM 157 OE2 GLU A 18 13.030 29.788 25.662 1.00 84.89 O
158
+ ATOM 158 C ARG A 19 4.034 29.820 26.691 1.00 91.52 C
159
+ ATOM 159 CA ARG A 19 5.095 30.914 26.628 1.00 91.53 C
160
+ ATOM 160 CB ARG A 19 4.544 32.135 25.887 1.00 90.27 C
161
+ ATOM 161 CD ARG A 19 2.776 33.924 25.752 1.00 79.29 C
162
+ ATOM 162 CG ARG A 19 3.393 32.824 26.604 1.00 83.74 C
163
+ ATOM 163 CZ ARG A 19 0.894 32.849 24.561 1.00 70.36 C
164
+ ATOM 164 N ARG A 19 6.311 30.429 25.984 1.00 91.86 N
165
+ ATOM 165 NE ARG A 19 2.113 33.381 24.570 1.00 73.24 N
166
+ ATOM 166 NH1 ARG A 19 0.178 32.776 25.677 1.00 54.77 N
167
+ ATOM 167 NH2 ARG A 19 0.387 32.384 23.428 1.00 50.28 N
168
+ ATOM 168 O ARG A 19 3.373 29.647 27.717 1.00 90.54 O
169
+ ATOM 169 C LEU A 20 3.274 26.817 26.494 1.00 92.33 C
170
+ ATOM 170 CA LEU A 20 2.870 27.991 25.608 1.00 92.39 C
171
+ ATOM 171 CB LEU A 20 2.682 27.515 24.164 1.00 91.78 C
172
+ ATOM 172 CD1 LEU A 20 2.135 28.000 21.767 1.00 87.10 C
173
+ ATOM 173 CD2 LEU A 20 0.588 28.774 23.586 1.00 86.83 C
174
+ ATOM 174 CG LEU A 20 2.040 28.513 23.200 1.00 89.83 C
175
+ ATOM 175 N LEU A 20 3.864 29.056 25.669 1.00 92.38 N
176
+ ATOM 176 O LEU A 20 2.441 26.259 27.211 1.00 91.58 O
177
+ ATOM 177 C LEU A 21 5.145 25.520 28.668 1.00 91.89 C
178
+ ATOM 178 CA LEU A 21 5.004 25.291 27.167 1.00 92.82 C
179
+ ATOM 179 CB LEU A 21 6.343 24.837 26.581 1.00 92.50 C
180
+ ATOM 180 CD1 LEU A 21 7.684 24.080 24.602 1.00 90.87 C
181
+ ATOM 181 CD2 LEU A 21 5.675 22.765 25.333 1.00 90.61 C
182
+ ATOM 182 CG LEU A 21 6.288 24.156 25.212 1.00 92.32 C
183
+ ATOM 183 N LEU A 21 4.537 26.501 26.498 1.00 92.77 N
184
+ ATOM 184 O LEU A 21 5.089 24.570 29.453 1.00 90.34 O
185
+ ATOM 185 C LEU A 22 4.240 27.262 31.204 1.00 88.51 C
186
+ ATOM 186 CA LEU A 22 5.570 27.068 30.486 1.00 89.73 C
187
+ ATOM 187 CB LEU A 22 6.437 28.320 30.646 1.00 88.68 C
188
+ ATOM 188 CD1 LEU A 22 8.609 29.532 30.326 1.00 82.98 C
189
+ ATOM 189 CD2 LEU A 22 8.606 27.169 31.171 1.00 82.68 C
190
+ ATOM 190 CG LEU A 22 7.911 28.177 30.262 1.00 86.57 C
191
+ ATOM 191 N LEU A 22 5.360 26.770 29.073 1.00 90.44 N
192
+ ATOM 192 O LEU A 22 4.213 27.584 32.394 1.00 85.81 O
193
+ ATOM 193 C ASN A 23 1.888 25.940 32.325 1.00 86.64 C
194
+ ATOM 194 CA ASN A 23 1.896 26.989 31.216 1.00 86.66 C
195
+ ATOM 195 CB ASN A 23 0.749 26.733 30.237 1.00 84.81 C
196
+ ATOM 196 CG ASN A 23 -0.615 26.909 30.876 1.00 77.86 C
197
+ ATOM 197 N ASN A 23 3.173 27.015 30.513 1.00 87.67 N
198
+ ATOM 198 ND2 ASN A 23 -1.601 27.292 30.074 1.00 69.75 N
199
+ ATOM 199 O ASN A 23 2.258 24.787 32.098 1.00 84.43 O
200
+ ATOM 200 OD1 ASN A 23 -0.781 26.701 32.081 1.00 71.65 O
201
+ ATOM 201 C ALA A 24 0.857 24.189 34.601 1.00 81.79 C
202
+ ATOM 202 CA ALA A 24 1.669 25.471 34.759 1.00 81.13 C
203
+ ATOM 203 CB ALA A 24 1.203 26.246 35.989 1.00 76.17 C
204
+ ATOM 204 N ALA A 24 1.570 26.306 33.563 1.00 81.25 N
205
+ ATOM 205 O ALA A 24 1.153 23.177 35.241 1.00 78.71 O
206
+ ATOM 206 C GLU A 25 -0.244 21.890 32.779 1.00 85.58 C
207
+ ATOM 207 CA GLU A 25 -0.919 22.950 33.646 1.00 84.22 C
208
+ ATOM 208 CB GLU A 25 -2.265 23.349 33.037 1.00 80.56 C
209
+ ATOM 209 CD GLU A 25 -4.485 24.538 33.369 1.00 68.90 C
210
+ ATOM 210 CG GLU A 25 -3.108 24.240 33.938 1.00 72.18 C
211
+ ATOM 211 N GLU A 25 -0.063 24.121 33.811 1.00 84.20 N
212
+ ATOM 212 O GLU A 25 -0.686 20.740 32.740 1.00 83.66 O
213
+ ATOM 213 OE1 GLU A 25 -4.726 24.240 32.177 1.00 66.64 O
214
+ ATOM 214 OE2 GLU A 25 -5.330 25.075 34.119 1.00 62.00 O
215
+ ATOM 215 C ASN A 26 2.459 20.437 32.092 1.00 86.73 C
216
+ ATOM 216 CA ASN A 26 1.537 21.349 31.289 1.00 87.54 C
217
+ ATOM 217 CB ASN A 26 2.324 22.068 30.192 1.00 86.35 C
218
+ ATOM 218 CG ASN A 26 1.427 22.691 29.141 1.00 85.68 C
219
+ ATOM 219 N ASN A 26 0.857 22.313 32.148 1.00 87.06 N
220
+ ATOM 220 ND2 ASN A 26 1.942 23.693 28.439 1.00 84.98 N
221
+ ATOM 221 O ASN A 26 3.311 20.915 32.844 1.00 84.44 O
222
+ ATOM 222 OD1 ASN A 26 0.279 22.276 28.962 1.00 84.86 O
223
+ ATOM 223 C PRO A 27 4.496 18.277 32.036 1.00 89.49 C
224
+ ATOM 224 CA PRO A 27 3.107 18.256 32.670 1.00 89.06 C
225
+ ATOM 225 CB PRO A 27 2.450 16.884 32.501 1.00 87.85 C
226
+ ATOM 226 CD PRO A 27 1.182 18.376 31.060 1.00 84.81 C
227
+ ATOM 227 CG PRO A 27 1.701 16.975 31.211 1.00 85.25 C
228
+ ATOM 228 N PRO A 27 2.168 19.164 32.006 1.00 88.84 N
229
+ ATOM 229 O PRO A 27 4.662 18.778 30.921 1.00 88.88 O
230
+ ATOM 230 C ARG A 28 6.698 16.677 31.056 1.00 91.12 C
231
+ ATOM 231 CA ARG A 28 6.741 17.572 32.291 1.00 90.37 C
232
+ ATOM 232 CB ARG A 28 7.617 16.933 33.370 1.00 88.82 C
233
+ ATOM 233 CD ARG A 28 9.924 16.264 34.132 1.00 80.30 C
234
+ ATOM 234 CG ARG A 28 9.095 16.883 33.014 1.00 82.92 C
235
+ ATOM 235 CZ ARG A 28 12.278 15.585 34.466 1.00 72.79 C
236
+ ATOM 236 N ARG A 28 5.397 17.822 32.803 1.00 90.02 N
237
+ ATOM 237 NE ARG A 28 11.350 16.286 33.819 1.00 75.19 N
238
+ ATOM 238 NH1 ARG A 28 11.946 14.793 35.479 1.00 61.86 N
239
+ ATOM 239 NH2 ARG A 28 13.547 15.679 34.098 1.00 58.91 N
240
+ ATOM 240 O ARG A 28 5.933 15.712 31.009 1.00 90.63 O
241
+ ATOM 241 C GLY A 29 6.558 16.843 27.704 1.00 93.38 C
242
+ ATOM 242 CA GLY A 29 7.534 16.345 28.753 1.00 93.01 C
243
+ ATOM 243 N GLY A 29 7.499 17.124 29.982 1.00 92.43 N
244
+ ATOM 244 O GLY A 29 6.462 16.269 26.617 1.00 92.93 O
245
+ ATOM 245 C THR A 30 5.848 19.130 25.918 1.00 94.81 C
246
+ ATOM 246 CA THR A 30 4.968 18.551 27.023 1.00 94.50 C
247
+ ATOM 247 CB THR A 30 4.095 19.668 27.624 1.00 93.68 C
248
+ ATOM 248 CG2 THR A 30 3.224 20.320 26.556 1.00 90.13 C
249
+ ATOM 249 N THR A 30 5.783 17.907 28.047 1.00 94.21 N
250
+ ATOM 250 O THR A 30 6.881 19.744 26.197 1.00 94.61 O
251
+ ATOM 251 OG1 THR A 30 3.251 19.111 28.640 1.00 89.03 O
252
+ ATOM 252 C PHE A 31 5.680 19.823 22.381 1.00 95.70 C
253
+ ATOM 253 CA PHE A 31 6.401 19.280 23.608 1.00 95.79 C
254
+ ATOM 254 CB PHE A 31 7.232 18.051 23.227 1.00 95.60 C
255
+ ATOM 255 CD1 PHE A 31 5.684 16.068 23.165 1.00 94.32 C
256
+ ATOM 256 CD2 PHE A 31 6.494 16.945 21.094 1.00 94.05 C
257
+ ATOM 257 CE1 PHE A 31 4.963 15.095 22.477 1.00 93.52 C
258
+ ATOM 258 CE2 PHE A 31 5.778 15.976 20.399 1.00 93.70 C
259
+ ATOM 259 CG PHE A 31 6.454 17.000 22.481 1.00 95.18 C
260
+ ATOM 260 CZ PHE A 31 5.013 15.051 21.091 1.00 93.00 C
261
+ ATOM 261 N PHE A 31 5.450 18.950 24.665 1.00 95.58 N
262
+ ATOM 262 O PHE A 31 4.467 19.647 22.239 1.00 95.41 O
263
+ ATOM 263 C LEU A 32 7.137 20.858 19.198 1.00 95.65 C
264
+ ATOM 264 CA LEU A 32 5.942 20.782 20.143 1.00 95.65 C
265
+ ATOM 265 CB LEU A 32 5.219 22.131 20.181 1.00 95.12 C
266
+ ATOM 266 CD1 LEU A 32 6.952 23.864 19.650 1.00 87.49 C
267
+ ATOM 267 CD2 LEU A 32 5.085 24.404 21.238 1.00 87.05 C
268
+ ATOM 268 CG LEU A 32 6.021 23.314 20.726 1.00 92.72 C
269
+ ATOM 269 N LEU A 32 6.362 20.389 21.483 1.00 95.56 N
270
+ ATOM 270 O LEU A 32 8.283 20.925 19.646 1.00 95.34 O
271
+ ATOM 271 C VAL A 33 7.605 22.168 16.098 1.00 95.47 C
272
+ ATOM 272 CA VAL A 33 7.893 20.905 16.908 1.00 95.77 C
273
+ ATOM 273 CB VAL A 33 7.930 19.672 15.978 1.00 95.29 C
274
+ ATOM 274 CG1 VAL A 33 8.887 19.905 14.810 1.00 92.94 C
275
+ ATOM 275 CG2 VAL A 33 8.334 18.425 16.763 1.00 92.62 C
276
+ ATOM 276 N VAL A 33 6.893 20.755 17.959 1.00 95.78 N
277
+ ATOM 277 O VAL A 33 6.463 22.409 15.698 1.00 94.82 O
278
+ ATOM 278 C ARG A 34 9.582 24.350 14.112 1.00 94.29 C
279
+ ATOM 279 CA ARG A 34 8.473 24.191 15.145 1.00 94.52 C
280
+ ATOM 280 CB ARG A 34 8.478 25.381 16.107 1.00 93.97 C
281
+ ATOM 281 CD ARG A 34 9.614 26.588 18.003 1.00 91.03 C
282
+ ATOM 282 CG ARG A 34 9.703 25.443 17.005 1.00 92.69 C
283
+ ATOM 283 CZ ARG A 34 11.979 27.082 18.530 1.00 87.69 C
284
+ ATOM 284 N ARG A 34 8.616 22.938 15.879 1.00 94.56 N
285
+ ATOM 285 NE ARG A 34 10.779 26.629 18.882 1.00 89.32 N
286
+ ATOM 286 NH1 ARG A 34 12.197 27.544 17.303 1.00 80.49 N
287
+ ATOM 287 NH2 ARG A 34 12.970 27.073 19.409 1.00 79.93 N
288
+ ATOM 288 O ARG A 34 10.583 23.631 14.151 1.00 93.63 O
289
+ ATOM 289 C GLU A 35 11.513 26.511 12.974 1.00 93.03 C
290
+ ATOM 290 CA GLU A 35 10.459 25.651 12.280 1.00 93.43 C
291
+ ATOM 291 CB GLU A 35 9.887 26.394 11.071 1.00 92.37 C
292
+ ATOM 292 CD GLU A 35 8.402 26.298 9.011 1.00 85.24 C
293
+ ATOM 293 CG GLU A 35 8.978 25.541 10.199 1.00 88.10 C
294
+ ATOM 294 N GLU A 35 9.394 25.274 13.204 1.00 93.56 N
295
+ ATOM 295 O GLU A 35 11.183 27.331 13.833 1.00 92.02 O
296
+ ATOM 296 OE1 GLU A 35 9.037 27.272 8.547 1.00 82.33 O
297
+ ATOM 297 OE2 GLU A 35 7.308 25.912 8.542 1.00 82.10 O
298
+ ATOM 298 C SER A 36 13.772 28.445 12.693 1.00 89.81 C
299
+ ATOM 299 CA SER A 36 13.822 27.007 13.200 1.00 90.32 C
300
+ ATOM 300 CB SER A 36 15.178 26.385 12.861 1.00 89.20 C
301
+ ATOM 301 N SER A 36 12.738 26.210 12.637 1.00 90.64 N
302
+ ATOM 302 O SER A 36 13.541 28.681 11.506 1.00 88.41 O
303
+ ATOM 303 OG SER A 36 16.237 27.214 13.309 1.00 85.05 O
304
+ ATOM 304 C GLU A 37 15.428 31.094 12.573 1.00 86.89 C
305
+ ATOM 305 CA GLU A 37 14.091 30.744 13.221 1.00 87.94 C
306
+ ATOM 306 CB GLU A 37 13.835 31.656 14.423 1.00 86.26 C
307
+ ATOM 307 CD GLU A 37 12.231 32.350 16.267 1.00 79.39 C
308
+ ATOM 308 CG GLU A 37 12.433 31.530 15.002 1.00 81.29 C
309
+ ATOM 309 N GLU A 37 14.050 29.341 13.622 1.00 88.70 N
310
+ ATOM 310 O GLU A 37 15.494 31.974 11.712 1.00 84.43 O
311
+ ATOM 311 OE1 GLU A 37 12.600 31.874 17.364 1.00 75.53 O
312
+ ATOM 312 OE2 GLU A 37 11.698 33.478 16.158 1.00 75.12 O
313
+ ATOM 313 C THR A 38 18.301 30.004 11.373 1.00 85.65 C
314
+ ATOM 314 CA THR A 38 17.760 30.820 12.544 1.00 86.55 C
315
+ ATOM 315 CB THR A 38 18.727 30.709 13.738 1.00 84.90 C
316
+ ATOM 316 CG2 THR A 38 18.310 31.643 14.871 1.00 76.48 C
317
+ ATOM 317 N THR A 38 16.418 30.378 12.907 1.00 87.42 N
318
+ ATOM 318 O THR A 38 19.243 30.424 10.700 1.00 83.17 O
319
+ ATOM 319 OG1 THR A 38 18.728 29.361 14.221 1.00 78.54 O
320
+ ATOM 320 C THR A 39 17.034 27.567 9.225 1.00 85.07 C
321
+ ATOM 321 CA THR A 39 18.187 27.935 10.155 1.00 85.26 C
322
+ ATOM 322 CB THR A 39 18.813 26.652 10.734 1.00 83.86 C
323
+ ATOM 323 CG2 THR A 39 19.454 25.809 9.637 1.00 79.15 C
324
+ ATOM 324 N THR A 39 17.732 28.826 11.215 1.00 85.62 N
325
+ ATOM 325 O THR A 39 16.084 26.902 9.639 1.00 83.49 O
326
+ ATOM 326 OG1 THR A 39 19.814 27.007 11.694 1.00 78.25 O
327
+ ATOM 327 C LYS A 40 16.000 26.255 6.766 1.00 83.98 C
328
+ ATOM 328 CA LYS A 40 16.099 27.752 7.042 1.00 84.13 C
329
+ ATOM 329 CB LYS A 40 16.384 28.508 5.743 1.00 81.85 C
330
+ ATOM 330 CD LYS A 40 15.560 29.277 3.492 1.00 73.87 C
331
+ ATOM 331 CE LYS A 40 14.441 29.189 2.463 1.00 65.28 C
332
+ ATOM 332 CG LYS A 40 15.252 28.441 4.727 1.00 76.40 C
333
+ ATOM 333 N LYS A 40 17.129 28.037 8.036 1.00 84.44 N
334
+ ATOM 334 NZ LYS A 40 14.735 30.012 1.252 1.00 60.97 N
335
+ ATOM 335 O LYS A 40 17.009 25.598 6.507 1.00 82.00 O
336
+ ATOM 336 C GLY A 41 14.733 23.514 7.694 1.00 83.87 C
337
+ ATOM 337 CA GLY A 41 14.517 24.447 6.518 1.00 83.53 C
338
+ ATOM 338 N GLY A 41 14.757 25.843 6.844 1.00 83.69 N
339
+ ATOM 339 O GLY A 41 14.465 22.314 7.600 1.00 82.40 O
340
+ ATOM 340 C ALA A 42 14.368 23.285 10.929 1.00 89.61 C
341
+ ATOM 341 CA ALA A 42 15.560 23.183 9.980 1.00 88.39 C
342
+ ATOM 342 CB ALA A 42 16.841 23.610 10.692 1.00 86.82 C
343
+ ATOM 343 N ALA A 42 15.348 23.991 8.783 1.00 88.21 N
344
+ ATOM 344 O ALA A 42 13.553 24.202 10.813 1.00 89.40 O
345
+ ATOM 345 C TYR A 43 13.745 22.335 14.195 1.00 93.55 C
346
+ ATOM 346 CA TYR A 43 13.157 22.346 12.789 1.00 93.54 C
347
+ ATOM 347 CB TYR A 43 12.258 21.122 12.591 1.00 92.93 C
348
+ ATOM 348 CD1 TYR A 43 10.380 21.724 11.012 1.00 88.94 C
349
+ ATOM 349 CD2 TYR A 43 12.167 20.372 10.184 1.00 88.86 C
350
+ ATOM 350 CE1 TYR A 43 9.760 21.679 9.768 1.00 88.95 C
351
+ ATOM 351 CE2 TYR A 43 11.556 20.321 8.935 1.00 89.11 C
352
+ ATOM 352 CG TYR A 43 11.591 21.072 11.238 1.00 91.51 C
353
+ ATOM 353 CZ TYR A 43 10.354 20.977 8.737 1.00 88.16 C
354
+ ATOM 354 N TYR A 43 14.212 22.374 11.783 1.00 93.15 N
355
+ ATOM 355 O TYR A 43 14.932 22.051 14.377 1.00 93.09 O
356
+ ATOM 356 OH TYR A 43 9.745 20.928 7.503 1.00 84.75 O
357
+ ATOM 357 C CYS A 44 12.269 21.821 17.358 1.00 95.12 C
358
+ ATOM 358 CA CYS A 44 13.318 22.562 16.539 1.00 94.88 C
359
+ ATOM 359 CB CYS A 44 13.498 23.978 17.085 1.00 93.42 C
360
+ ATOM 360 N CYS A 44 12.948 22.601 15.128 1.00 94.75 N
361
+ ATOM 361 O CYS A 44 11.070 21.962 17.113 1.00 94.76 O
362
+ ATOM 362 SG CYS A 44 14.891 24.868 16.355 1.00 64.22 S
363
+ ATOM 363 C LEU A 45 11.998 21.120 20.525 1.00 95.51 C
364
+ ATOM 364 CA LEU A 45 11.916 20.364 19.203 1.00 95.57 C
365
+ ATOM 365 CB LEU A 45 12.369 18.915 19.400 1.00 95.12 C
366
+ ATOM 366 CD1 LEU A 45 10.231 17.898 20.226 1.00 90.44 C
367
+ ATOM 367 CD2 LEU A 45 12.428 16.829 20.796 1.00 90.19 C
368
+ ATOM 368 CG LEU A 45 11.702 18.145 20.542 1.00 93.61 C
369
+ ATOM 369 N LEU A 45 12.725 21.017 18.179 1.00 95.45 N
370
+ ATOM 370 O LEU A 45 13.092 21.341 21.051 1.00 95.11 O
371
+ ATOM 371 C SER A 46 10.098 21.372 23.377 1.00 94.87 C
372
+ ATOM 372 CA SER A 46 10.837 22.233 22.357 1.00 95.01 C
373
+ ATOM 373 CB SER A 46 10.145 23.590 22.225 1.00 94.42 C
374
+ ATOM 374 N SER A 46 10.911 21.568 21.059 1.00 94.90 N
375
+ ATOM 375 O SER A 46 8.992 20.899 23.112 1.00 94.37 O
376
+ ATOM 376 OG SER A 46 10.862 24.437 21.344 1.00 89.39 O
377
+ ATOM 377 C VAL A 47 10.165 20.952 26.875 1.00 94.08 C
378
+ ATOM 378 CA VAL A 47 10.140 20.288 25.500 1.00 94.45 C
379
+ ATOM 379 CB VAL A 47 10.927 18.958 25.535 1.00 93.52 C
380
+ ATOM 380 CG1 VAL A 47 10.223 17.939 26.430 1.00 84.64 C
381
+ ATOM 381 CG2 VAL A 47 11.103 18.404 24.123 1.00 83.99 C
382
+ ATOM 382 N VAL A 47 10.679 21.202 24.499 1.00 94.49 N
383
+ ATOM 383 O VAL A 47 11.182 21.521 27.277 1.00 93.08 O
384
+ ATOM 384 C SER A 48 9.675 20.460 29.923 1.00 92.11 C
385
+ ATOM 385 CA SER A 48 8.990 21.407 28.944 1.00 92.49 C
386
+ ATOM 386 CB SER A 48 7.539 21.634 29.373 1.00 91.12 C
387
+ ATOM 387 N SER A 48 9.046 20.890 27.581 1.00 92.82 N
388
+ ATOM 388 O SER A 48 9.559 19.238 29.798 1.00 90.86 O
389
+ ATOM 389 OG SER A 48 6.841 20.403 29.452 1.00 76.50 O
390
+ ATOM 390 C ASP A 49 10.993 21.071 33.157 1.00 88.81 C
391
+ ATOM 391 CA ASP A 49 11.111 20.336 31.824 1.00 89.98 C
392
+ ATOM 392 CB ASP A 49 12.584 20.121 31.472 1.00 89.00 C
393
+ ATOM 393 CG ASP A 49 13.227 18.999 32.269 1.00 86.62 C
394
+ ATOM 394 N ASP A 49 10.431 21.067 30.760 1.00 90.63 N
395
+ ATOM 395 O ASP A 49 10.614 22.244 33.195 1.00 86.70 O
396
+ ATOM 396 OD1 ASP A 49 12.498 18.202 32.897 1.00 85.30 O
397
+ ATOM 397 OD2 ASP A 49 14.474 18.915 32.270 1.00 84.20 O
398
+ ATOM 398 C PHE A 50 12.360 20.490 36.281 1.00 84.42 C
399
+ ATOM 399 CA PHE A 50 11.112 20.924 35.520 1.00 85.75 C
400
+ ATOM 400 CB PHE A 50 9.856 20.496 36.284 1.00 83.56 C
401
+ ATOM 401 CD1 PHE A 50 9.189 22.356 37.842 1.00 74.19 C
402
+ ATOM 402 CD2 PHE A 50 10.209 20.402 38.772 1.00 74.58 C
403
+ ATOM 403 CE1 PHE A 50 9.089 22.913 39.115 1.00 73.47 C
404
+ ATOM 404 CE2 PHE A 50 10.112 20.953 40.045 1.00 73.68 C
405
+ ATOM 405 CG PHE A 50 9.749 21.097 37.660 1.00 78.87 C
406
+ ATOM 406 CZ PHE A 50 9.553 22.209 40.215 1.00 70.33 C
407
+ ATOM 407 N PHE A 50 11.108 20.365 34.173 1.00 86.20 N
408
+ ATOM 408 O PHE A 50 12.684 19.302 36.327 1.00 81.30 O
409
+ ATOM 409 C ASP A 51 14.218 21.904 38.815 1.00 82.47 C
410
+ ATOM 410 CA ASP A 51 14.396 21.227 37.458 1.00 82.00 C
411
+ ATOM 411 CB ASP A 51 15.660 21.747 36.773 1.00 78.76 C
412
+ ATOM 412 CG ASP A 51 16.909 21.569 37.618 1.00 71.11 C
413
+ ATOM 413 N ASP A 51 13.227 21.440 36.610 1.00 82.12 N
414
+ ATOM 414 O ASP A 51 13.720 23.029 38.894 1.00 80.64 O
415
+ ATOM 415 OD1 ASP A 51 17.221 22.457 38.440 1.00 64.70 O
416
+ ATOM 416 OD2 ASP A 51 17.589 20.533 37.457 1.00 67.69 O
417
+ ATOM 417 C ASN A 52 14.958 22.997 41.552 1.00 79.62 C
418
+ ATOM 418 CA ASN A 52 14.271 21.650 41.347 1.00 80.04 C
419
+ ATOM 419 CB ASN A 52 14.772 20.636 42.377 1.00 75.96 C
420
+ ATOM 420 CG ASN A 52 13.887 19.409 42.467 1.00 70.23 C
421
+ ATOM 421 N ASN A 52 14.472 21.146 39.993 1.00 79.42 N
422
+ ATOM 422 ND2 ASN A 52 14.460 18.296 42.912 1.00 67.08 N
423
+ ATOM 423 O ASN A 52 14.441 23.861 42.263 1.00 77.10 O
424
+ ATOM 424 OD1 ASN A 52 12.699 19.459 42.139 1.00 68.31 O
425
+ ATOM 425 C ALA A 53 16.274 25.460 40.228 1.00 79.61 C
426
+ ATOM 426 CA ALA A 53 16.812 24.340 41.113 1.00 80.27 C
427
+ ATOM 427 CB ALA A 53 18.287 24.089 40.811 1.00 76.21 C
428
+ ATOM 428 N ALA A 53 16.038 23.113 40.935 1.00 79.76 N
429
+ ATOM 429 O ALA A 53 16.140 26.603 40.673 1.00 77.68 O
430
+ ATOM 430 C LYS A 54 14.034 26.450 37.899 1.00 79.68 C
431
+ ATOM 431 CA LYS A 54 15.542 26.278 38.057 1.00 79.44 C
432
+ ATOM 432 CB LYS A 54 16.174 25.931 36.708 1.00 76.53 C
433
+ ATOM 433 CD LYS A 54 18.263 25.661 35.329 1.00 68.37 C
434
+ ATOM 434 CE LYS A 54 19.786 25.651 35.341 1.00 60.85 C
435
+ ATOM 435 CG LYS A 54 17.695 25.988 36.704 1.00 70.82 C
436
+ ATOM 436 N LYS A 54 15.853 25.252 39.048 1.00 79.92 N
437
+ ATOM 437 NZ LYS A 54 20.347 25.247 34.017 1.00 54.91 N
438
+ ATOM 438 O LYS A 54 13.569 27.488 37.422 1.00 77.03 O
439
+ ATOM 439 C GLY A 55 11.501 25.097 36.815 1.00 83.37 C
440
+ ATOM 440 CA GLY A 55 11.868 25.479 38.236 1.00 83.01 C
441
+ ATOM 441 N GLY A 55 13.299 25.433 38.490 1.00 82.76 N
442
+ ATOM 442 O GLY A 55 12.216 24.325 36.171 1.00 81.04 O
443
+ ATOM 443 C LEU A 56 10.745 25.801 33.938 1.00 85.98 C
444
+ ATOM 444 CA LEU A 56 9.865 25.177 35.015 1.00 85.37 C
445
+ ATOM 445 CB LEU A 56 8.423 25.671 34.863 1.00 82.56 C
446
+ ATOM 446 CD1 LEU A 56 6.048 25.663 35.665 1.00 68.27 C
447
+ ATOM 447 CD2 LEU A 56 7.130 23.521 34.931 1.00 68.65 C
448
+ ATOM 448 CG LEU A 56 7.350 24.872 35.604 1.00 75.10 C
449
+ ATOM 449 N LEU A 56 10.372 25.487 36.347 1.00 85.20 N
450
+ ATOM 450 O LEU A 56 11.097 26.980 34.024 1.00 84.10 O
451
+ ATOM 451 C ASN A 57 11.696 24.752 30.596 1.00 90.74 C
452
+ ATOM 452 CA ASN A 57 11.980 25.523 31.882 1.00 89.81 C
453
+ ATOM 453 CB ASN A 57 13.472 25.463 32.216 1.00 87.94 C
454
+ ATOM 454 CG ASN A 57 13.961 24.050 32.459 1.00 80.76 C
455
+ ATOM 455 N ASN A 57 11.185 25.017 32.996 1.00 89.71 N
456
+ ATOM 456 ND2 ASN A 57 14.354 23.761 33.694 1.00 74.54 N
457
+ ATOM 457 O ASN A 57 10.925 23.791 30.601 1.00 90.11 O
458
+ ATOM 458 OD1 ASN A 57 13.987 23.223 31.544 1.00 75.77 O
459
+ ATOM 459 C VAL A 58 13.300 24.337 27.588 1.00 92.06 C
460
+ ATOM 460 CA VAL A 58 11.939 24.611 28.224 1.00 92.24 C
461
+ ATOM 461 CB VAL A 58 11.087 25.507 27.297 1.00 91.32 C
462
+ ATOM 462 CG1 VAL A 58 10.943 24.870 25.916 1.00 86.43 C
463
+ ATOM 463 CG2 VAL A 58 9.715 25.764 27.916 1.00 85.67 C
464
+ ATOM 464 N VAL A 58 12.122 25.221 29.537 1.00 91.83 N
465
+ ATOM 465 O VAL A 58 14.165 25.215 27.556 1.00 91.18 O
466
+ ATOM 466 C LYS A 59 14.451 22.751 24.922 1.00 93.08 C
467
+ ATOM 467 CA LYS A 59 14.730 22.800 26.422 1.00 92.62 C
468
+ ATOM 468 CB LYS A 59 15.272 21.452 26.898 1.00 91.07 C
469
+ ATOM 469 CD LYS A 59 16.838 22.312 28.672 1.00 76.25 C
470
+ ATOM 470 CE LYS A 59 17.213 22.272 30.147 1.00 68.19 C
471
+ ATOM 471 CG LYS A 59 15.640 21.420 28.375 1.00 80.91 C
472
+ ATOM 472 N LYS A 59 13.530 23.164 27.169 1.00 92.59 N
473
+ ATOM 473 NZ LYS A 59 18.406 23.121 30.438 1.00 59.63 N
474
+ ATOM 474 O LYS A 59 13.424 22.222 24.494 1.00 92.62 O
475
+ ATOM 475 C HIS A 60 16.283 22.485 22.076 1.00 92.98 C
476
+ ATOM 476 CA HIS A 60 15.214 23.351 22.734 1.00 93.54 C
477
+ ATOM 477 CB HIS A 60 15.318 24.790 22.225 1.00 92.75 C
478
+ ATOM 478 CD2 HIS A 60 14.528 26.582 23.927 1.00 88.30 C
479
+ ATOM 479 CE1 HIS A 60 12.451 26.761 23.248 1.00 88.75 C
480
+ ATOM 480 CG HIS A 60 14.362 25.731 22.887 1.00 91.14 C
481
+ ATOM 481 N HIS A 60 15.326 23.313 24.187 1.00 93.22 N
482
+ ATOM 482 ND1 HIS A 60 13.052 25.865 22.483 1.00 88.18 N
483
+ ATOM 483 NE2 HIS A 60 13.325 27.212 24.131 1.00 89.82 N
484
+ ATOM 484 O HIS A 60 17.466 22.593 22.406 1.00 91.99 O
485
+ ATOM 485 C TYR A 61 16.621 20.979 19.007 1.00 93.47 C
486
+ ATOM 486 CA TYR A 61 16.728 20.748 20.510 1.00 93.80 C
487
+ ATOM 487 CB TYR A 61 16.422 19.283 20.836 1.00 93.52 C
488
+ ATOM 488 CD1 TYR A 61 17.746 18.551 22.858 1.00 92.04 C
489
+ ATOM 489 CD2 TYR A 61 15.424 19.038 23.139 1.00 91.79 C
490
+ ATOM 490 CE1 TYR A 61 17.852 18.243 24.211 1.00 91.12 C
491
+ ATOM 491 CE2 TYR A 61 15.518 18.733 24.493 1.00 91.23 C
492
+ ATOM 492 CG TYR A 61 16.532 18.952 22.304 1.00 93.11 C
493
+ ATOM 493 CZ TYR A 61 16.735 18.338 25.019 1.00 90.79 C
494
+ ATOM 494 N TYR A 61 15.827 21.634 21.239 1.00 93.70 N
495
+ ATOM 495 O TYR A 61 15.539 20.853 18.429 1.00 92.75 O
496
+ ATOM 496 OH TYR A 61 16.834 18.034 26.358 1.00 88.29 O
497
+ ATOM 497 C LYS A 62 17.553 20.059 16.244 1.00 92.85 C
498
+ ATOM 498 CA LYS A 62 17.714 21.415 16.928 1.00 92.67 C
499
+ ATOM 499 CB LYS A 62 19.002 22.091 16.455 1.00 91.14 C
500
+ ATOM 500 CD LYS A 62 20.219 23.301 14.614 1.00 80.21 C
501
+ ATOM 501 CE LYS A 62 20.164 23.767 13.165 1.00 71.69 C
502
+ ATOM 502 CG LYS A 62 18.997 22.468 14.981 1.00 83.73 C
503
+ ATOM 503 N LYS A 62 17.713 21.273 18.382 1.00 92.70 N
504
+ ATOM 504 NZ LYS A 62 21.314 24.656 12.825 1.00 63.78 N
505
+ ATOM 505 O LYS A 62 18.261 19.105 16.572 1.00 92.19 O
506
+ ATOM 506 C ILE A 63 17.088 19.116 13.110 1.00 92.08 C
507
+ ATOM 507 CA ILE A 63 16.404 18.837 14.446 1.00 93.37 C
508
+ ATOM 508 CB ILE A 63 14.917 18.480 14.225 1.00 93.05 C
509
+ ATOM 509 CD1 ILE A 63 12.699 18.209 15.477 1.00 91.04 C
510
+ ATOM 510 CG1 ILE A 63 14.219 18.243 15.567 1.00 92.29 C
511
+ ATOM 511 CG2 ILE A 63 14.786 17.256 13.314 1.00 91.90 C
512
+ ATOM 512 N ILE A 63 16.551 19.992 15.325 1.00 93.51 N
513
+ ATOM 513 O ILE A 63 16.683 20.020 12.375 1.00 90.12 O
514
+ ATOM 514 C ARG A 64 18.377 17.526 10.578 1.00 89.72 C
515
+ ATOM 515 CA ARG A 64 18.838 18.519 11.640 1.00 89.67 C
516
+ ATOM 516 CB ARG A 64 20.338 18.354 11.895 1.00 87.69 C
517
+ ATOM 517 CD ARG A 64 22.391 19.124 13.136 1.00 78.77 C
518
+ ATOM 518 CG ARG A 64 20.912 19.370 12.870 1.00 80.28 C
519
+ ATOM 519 CZ ARG A 64 24.205 20.128 14.483 1.00 68.97 C
520
+ ATOM 520 N ARG A 64 18.086 18.350 12.878 1.00 90.25 N
521
+ ATOM 521 NE ARG A 64 22.943 20.105 14.066 1.00 72.53 N
522
+ ATOM 522 NH1 ARG A 64 25.076 19.218 14.060 1.00 62.15 N
523
+ ATOM 523 NH2 ARG A 64 24.601 21.066 15.331 1.00 59.42 N
524
+ ATOM 524 O ARG A 64 17.882 16.445 10.905 1.00 88.53 O
525
+ ATOM 525 C LYS A 65 19.389 16.726 7.474 1.00 86.63 C
526
+ ATOM 526 CA LYS A 65 18.130 17.126 8.239 1.00 87.16 C
527
+ ATOM 527 CB LYS A 65 17.165 17.862 7.309 1.00 85.06 C
528
+ ATOM 528 CD LYS A 65 15.551 17.749 5.379 1.00 77.80 C
529
+ ATOM 529 CE LYS A 65 14.959 16.875 4.283 1.00 71.29 C
530
+ ATOM 530 CG LYS A 65 16.586 16.993 6.202 1.00 79.09 C
531
+ ATOM 531 N LYS A 65 18.458 17.953 9.397 1.00 87.79 N
532
+ ATOM 532 NZ LYS A 65 14.017 17.640 3.412 1.00 66.96 N
533
+ ATOM 533 O LYS A 65 20.237 17.570 7.179 1.00 84.57 O
534
+ ATOM 534 C LEU A 66 20.373 15.303 4.906 1.00 85.67 C
535
+ ATOM 535 CA LEU A 66 20.615 14.999 6.382 1.00 86.09 C
536
+ ATOM 536 CB LEU A 66 20.815 13.494 6.579 1.00 84.40 C
537
+ ATOM 537 CD1 LEU A 66 21.153 11.533 8.104 1.00 74.01 C
538
+ ATOM 538 CD2 LEU A 66 22.707 13.500 8.228 1.00 74.10 C
539
+ ATOM 539 CG LEU A 66 21.275 13.047 7.967 1.00 79.24 C
540
+ ATOM 540 N LEU A 66 19.508 15.480 7.200 1.00 86.47 N
541
+ ATOM 541 O LEU A 66 19.227 15.453 4.480 1.00 83.73 O
542
+ ATOM 542 C ASP A 67 20.476 14.446 2.070 1.00 82.34 C
543
+ ATOM 543 CA ASP A 67 21.317 15.564 2.682 1.00 82.91 C
544
+ ATOM 544 CB ASP A 67 22.697 15.607 2.020 1.00 80.06 C
545
+ ATOM 545 CG ASP A 67 23.483 16.859 2.368 1.00 74.31 C
546
+ ATOM 546 N ASP A 67 21.446 15.394 4.125 1.00 82.68 N
547
+ ATOM 547 O ASP A 67 19.748 14.669 1.101 1.00 80.31 O
548
+ ATOM 548 OD1 ASP A 67 22.867 17.880 2.742 1.00 72.32 O
549
+ ATOM 549 OD2 ASP A 67 24.727 16.823 2.263 1.00 76.76 O
550
+ ATOM 550 C SER A 68 18.415 12.156 2.550 1.00 82.00 C
551
+ ATOM 551 CA SER A 68 19.885 12.102 2.153 1.00 83.01 C
552
+ ATOM 552 CB SER A 68 20.516 10.809 2.672 1.00 80.47 C
553
+ ATOM 553 N SER A 68 20.613 13.263 2.656 1.00 83.96 N
554
+ ATOM 554 O SER A 68 17.621 11.313 2.128 1.00 78.82 O
555
+ ATOM 555 OG SER A 68 20.491 10.770 4.087 1.00 72.59 O
556
+ ATOM 556 C GLY A 69 16.356 12.929 5.136 1.00 82.77 C
557
+ ATOM 557 CA GLY A 69 16.660 13.380 3.719 1.00 82.99 C
558
+ ATOM 558 N GLY A 69 18.052 13.193 3.346 1.00 83.01 N
559
+ ATOM 559 O GLY A 69 15.233 13.089 5.616 1.00 79.82 O
560
+ ATOM 560 C GLY A 70 17.038 12.975 8.260 1.00 87.60 C
561
+ ATOM 561 CA GLY A 70 17.002 11.857 7.235 1.00 87.36 C
562
+ ATOM 562 N GLY A 70 17.220 12.322 5.874 1.00 87.08 N
563
+ ATOM 563 O GLY A 70 17.676 14.007 8.039 1.00 85.71 O
564
+ ATOM 564 C PHE A 71 16.926 13.216 11.723 1.00 91.14 C
565
+ ATOM 565 CA PHE A 71 16.242 13.750 10.470 1.00 91.33 C
566
+ ATOM 566 CB PHE A 71 14.789 14.125 10.785 1.00 90.44 C
567
+ ATOM 567 CD1 PHE A 71 14.095 16.138 9.447 1.00 86.67 C
568
+ ATOM 568 CD2 PHE A 71 13.350 13.983 8.730 1.00 87.01 C
569
+ ATOM 569 CE1 PHE A 71 13.423 16.731 8.380 1.00 88.17 C
570
+ ATOM 570 CE2 PHE A 71 12.676 14.568 7.661 1.00 88.11 C
571
+ ATOM 571 CG PHE A 71 14.064 14.762 9.632 1.00 89.13 C
572
+ ATOM 572 CZ PHE A 71 12.714 15.942 7.488 1.00 87.13 C
573
+ ATOM 573 N PHE A 71 16.296 12.771 9.392 1.00 90.40 N
574
+ ATOM 574 O PHE A 71 16.871 12.016 12.002 1.00 90.27 O
575
+ ATOM 575 C TYR A 72 18.349 14.850 14.590 1.00 91.03 C
576
+ ATOM 576 CA TYR A 72 18.125 13.676 13.643 1.00 91.13 C
577
+ ATOM 577 CB TYR A 72 19.455 12.973 13.361 1.00 90.10 C
578
+ ATOM 578 CD1 TYR A 72 20.526 14.157 11.404 1.00 84.37 C
579
+ ATOM 579 CD2 TYR A 72 21.485 14.456 13.571 1.00 84.94 C
580
+ ATOM 580 CE1 TYR A 72 21.495 14.990 10.853 1.00 84.80 C
581
+ ATOM 581 CE2 TYR A 72 22.459 15.290 13.031 1.00 85.39 C
582
+ ATOM 582 CG TYR A 72 20.507 13.878 12.769 1.00 87.76 C
583
+ ATOM 583 CZ TYR A 72 22.455 15.551 11.673 1.00 82.79 C
584
+ ATOM 584 N TYR A 72 17.505 14.119 12.399 1.00 90.72 N
585
+ ATOM 585 O TYR A 72 18.439 16.000 14.151 1.00 90.11 O
586
+ ATOM 586 OH TYR A 72 23.417 16.375 11.133 1.00 78.22 O
587
+ ATOM 587 C ILE A 73 20.194 15.036 17.383 1.00 87.78 C
588
+ ATOM 588 CA ILE A 73 18.768 15.376 16.958 1.00 90.75 C
589
+ ATOM 589 CB ILE A 73 17.821 15.331 18.179 1.00 89.45 C
590
+ ATOM 590 CD1 ILE A 73 15.392 15.735 18.893 1.00 81.96 C
591
+ ATOM 591 CG1 ILE A 73 16.452 15.916 17.813 1.00 84.32 C
592
+ ATOM 592 CG2 ILE A 73 18.435 16.077 19.367 1.00 83.05 C
593
+ ATOM 593 N ILE A 73 18.333 14.458 15.911 1.00 90.76 N
594
+ ATOM 594 O ILE A 73 21.041 15.924 17.506 1.00 83.89 O
595
+ ATOM 595 C THR A 74 22.168 12.354 16.671 1.00 84.61 C
596
+ ATOM 596 CA THR A 74 21.761 13.207 17.869 1.00 84.42 C
597
+ ATOM 597 CB THR A 74 21.821 12.356 19.152 1.00 81.97 C
598
+ ATOM 598 CG2 THR A 74 21.222 13.106 20.337 1.00 71.46 C
599
+ ATOM 599 N THR A 74 20.431 13.774 17.672 1.00 85.58 N
600
+ ATOM 600 O THR A 74 21.341 11.636 16.105 1.00 82.14 O
601
+ ATOM 601 OG1 THR A 74 21.089 11.142 18.948 1.00 71.53 O
602
+ ATOM 602 C SER A 75 23.755 10.265 15.093 1.00 79.58 C
603
+ ATOM 603 CA SER A 75 23.839 11.783 14.981 1.00 79.16 C
604
+ ATOM 604 CB SER A 75 25.274 12.200 14.657 1.00 74.93 C
605
+ ATOM 605 N SER A 75 23.382 12.429 16.207 1.00 79.17 N
606
+ ATOM 606 O SER A 75 23.797 9.559 14.083 1.00 76.42 O
607
+ ATOM 607 OG SER A 75 26.139 11.912 15.742 1.00 67.32 O
608
+ ATOM 608 C ARG A 76 22.234 7.623 15.987 1.00 82.39 C
609
+ ATOM 609 CA ARG A 76 23.579 8.237 16.362 1.00 81.97 C
610
+ ATOM 610 CB ARG A 76 23.929 7.888 17.810 1.00 78.38 C
611
+ ATOM 611 CD ARG A 76 25.670 7.815 19.629 1.00 67.21 C
612
+ ATOM 612 CG ARG A 76 25.352 8.248 18.204 1.00 70.30 C
613
+ ATOM 613 CZ ARG A 76 27.512 8.078 21.257 1.00 59.83 C
614
+ ATOM 614 N ARG A 76 23.567 9.684 16.171 1.00 82.25 N
615
+ ATOM 615 NE ARG A 76 27.001 8.251 20.041 1.00 57.74 N
616
+ ATOM 616 NH1 ARG A 76 26.812 7.471 22.207 1.00 45.48 N
617
+ ATOM 617 NH2 ARG A 76 28.734 8.516 21.524 1.00 40.97 N
618
+ ATOM 618 O ARG A 76 22.154 6.436 15.669 1.00 79.84 O
619
+ ATOM 619 C THR A 77 19.282 8.796 14.634 1.00 85.98 C
620
+ ATOM 620 CA THR A 77 19.972 7.918 15.673 1.00 85.75 C
621
+ ATOM 621 CB THR A 77 19.109 7.850 16.947 1.00 83.14 C
622
+ ATOM 622 CG2 THR A 77 17.791 7.133 16.680 1.00 74.21 C
623
+ ATOM 623 N THR A 77 21.310 8.419 15.967 1.00 85.49 N
624
+ ATOM 624 O THR A 77 19.019 9.974 14.885 1.00 84.30 O
625
+ ATOM 625 OG1 THR A 77 19.827 7.143 17.966 1.00 75.82 O
626
+ ATOM 626 C GLN A 78 17.031 8.407 12.055 1.00 90.40 C
627
+ ATOM 627 CA GLN A 78 18.420 8.943 12.388 1.00 89.94 C
628
+ ATOM 628 CB GLN A 78 19.319 8.876 11.153 1.00 87.57 C
629
+ ATOM 629 CD GLN A 78 21.635 9.212 10.189 1.00 73.94 C
630
+ ATOM 630 CG GLN A 78 20.724 9.412 11.386 1.00 78.12 C
631
+ ATOM 631 N GLN A 78 19.016 8.204 13.497 1.00 89.51 N
632
+ ATOM 632 NE2 GLN A 78 22.925 9.467 10.375 1.00 64.83 N
633
+ ATOM 633 O GLN A 78 16.759 7.217 12.230 1.00 89.41 O
634
+ ATOM 634 OE1 GLN A 78 21.183 8.830 9.105 1.00 71.36 O
635
+ ATOM 635 C PHE A 79 14.508 9.477 9.760 1.00 91.25 C
636
+ ATOM 636 CA PHE A 79 14.895 8.976 11.146 1.00 91.47 C
637
+ ATOM 637 CB PHE A 79 13.928 9.532 12.195 1.00 91.09 C
638
+ ATOM 638 CD1 PHE A 79 13.847 7.952 14.151 1.00 88.92 C
639
+ ATOM 639 CD2 PHE A 79 15.052 10.004 14.393 1.00 88.96 C
640
+ ATOM 640 CE1 PHE A 79 14.173 7.600 15.459 1.00 89.05 C
641
+ ATOM 641 CE2 PHE A 79 15.382 9.659 15.701 1.00 89.30 C
642
+ ATOM 642 CG PHE A 79 14.283 9.155 13.608 1.00 90.59 C
643
+ ATOM 643 CZ PHE A 79 14.941 8.458 16.232 1.00 88.43 C
644
+ ATOM 644 N PHE A 79 16.269 9.345 11.466 1.00 90.93 N
645
+ ATOM 645 O PHE A 79 14.974 10.533 9.324 1.00 90.47 O
646
+ ATOM 646 C ASN A 80 12.149 10.153 7.788 1.00 91.15 C
647
+ ATOM 647 CA ASN A 80 13.202 9.048 7.801 1.00 91.05 C
648
+ ATOM 648 CB ASN A 80 12.678 7.807 7.074 1.00 89.19 C
649
+ ATOM 649 CG ASN A 80 13.765 6.785 6.805 1.00 80.87 C
650
+ ATOM 650 N ASN A 80 13.608 8.711 9.161 1.00 91.17 N
651
+ ATOM 651 ND2 ASN A 80 13.387 5.513 6.771 1.00 73.05 N
652
+ ATOM 652 O ASN A 80 11.864 10.734 6.739 1.00 89.91 O
653
+ ATOM 653 OD1 ASN A 80 14.934 7.137 6.631 1.00 73.44 O
654
+ ATOM 654 C SER A 81 10.488 12.036 10.382 1.00 93.09 C
655
+ ATOM 655 CA SER A 81 10.542 11.444 8.978 1.00 92.34 C
656
+ ATOM 656 CB SER A 81 9.173 10.876 8.603 1.00 91.32 C
657
+ ATOM 657 N SER A 81 11.569 10.413 8.876 1.00 91.78 N
658
+ ATOM 658 O SER A 81 10.968 11.422 11.338 1.00 92.95 O
659
+ ATOM 659 OG SER A 81 8.724 9.956 9.584 1.00 87.48 O
660
+ ATOM 660 C LEU A 82 8.779 13.055 12.637 1.00 94.44 C
661
+ ATOM 661 CA LEU A 82 9.725 13.879 11.771 1.00 93.96 C
662
+ ATOM 662 CB LEU A 82 9.179 15.300 11.607 1.00 92.46 C
663
+ ATOM 663 CD1 LEU A 82 9.427 17.651 10.772 1.00 73.58 C
664
+ ATOM 664 CD2 LEU A 82 11.300 16.570 12.045 1.00 73.44 C
665
+ ATOM 665 CG LEU A 82 10.156 16.344 11.062 1.00 84.05 C
666
+ ATOM 666 N LEU A 82 9.915 13.252 10.468 1.00 93.34 N
667
+ ATOM 667 O LEU A 82 8.921 13.024 13.862 1.00 94.16 O
668
+ ATOM 668 C GLN A 83 7.561 10.359 13.452 1.00 94.83 C
669
+ ATOM 669 CA GLN A 83 6.828 11.503 12.759 1.00 94.86 C
670
+ ATOM 670 CB GLN A 83 5.765 10.948 11.809 1.00 94.01 C
671
+ ATOM 671 CD GLN A 83 5.223 12.553 9.928 1.00 86.59 C
672
+ ATOM 672 CG GLN A 83 4.803 12.002 11.278 1.00 89.97 C
673
+ ATOM 673 N GLN A 83 7.758 12.366 12.038 1.00 94.66 N
674
+ ATOM 674 NE2 GLN A 83 4.248 12.962 9.125 1.00 84.42 N
675
+ ATOM 675 O GLN A 83 7.295 10.061 14.618 1.00 94.41 O
676
+ ATOM 676 OE1 GLN A 83 6.416 12.612 9.611 1.00 85.50 O
677
+ ATOM 677 C GLN A 84 10.146 9.205 14.465 1.00 94.28 C
678
+ ATOM 678 CA GLN A 84 9.271 8.695 13.324 1.00 94.18 C
679
+ ATOM 679 CB GLN A 84 10.136 8.007 12.267 1.00 93.07 C
680
+ ATOM 680 CD GLN A 84 10.226 6.467 10.259 1.00 81.25 C
681
+ ATOM 681 CG GLN A 84 9.343 7.156 11.283 1.00 86.18 C
682
+ ATOM 682 N GLN A 84 8.499 9.781 12.728 1.00 94.12 N
683
+ ATOM 683 NE2 GLN A 84 9.604 5.781 9.306 1.00 74.92 N
684
+ ATOM 684 O GLN A 84 10.312 8.522 15.479 1.00 93.73 O
685
+ ATOM 685 OE1 GLN A 84 11.457 6.552 10.324 1.00 79.16 O
686
+ ATOM 686 C LEU A 85 10.710 11.236 16.541 1.00 94.55 C
687
+ ATOM 687 CA LEU A 85 11.521 10.994 15.273 1.00 94.28 C
688
+ ATOM 688 CB LEU A 85 12.115 12.314 14.773 1.00 93.35 C
689
+ ATOM 689 CD1 LEU A 85 14.135 13.785 14.982 1.00 79.37 C
690
+ ATOM 690 CD2 LEU A 85 12.237 14.025 16.606 1.00 79.59 C
691
+ ATOM 691 CG LEU A 85 13.037 13.053 15.746 1.00 87.88 C
692
+ ATOM 692 N LEU A 85 10.696 10.382 14.237 1.00 93.94 N
693
+ ATOM 693 O LEU A 85 11.118 10.827 17.631 1.00 94.22 O
694
+ ATOM 694 C VAL A 86 8.220 10.837 18.236 1.00 94.91 C
695
+ ATOM 695 CA VAL A 86 8.689 12.133 17.579 1.00 95.17 C
696
+ ATOM 696 CB VAL A 86 7.472 12.993 17.170 1.00 94.73 C
697
+ ATOM 697 CG1 VAL A 86 6.463 13.079 18.314 1.00 93.27 C
698
+ ATOM 698 CG2 VAL A 86 7.925 14.390 16.748 1.00 92.85 C
699
+ ATOM 699 N VAL A 86 9.538 11.827 16.433 1.00 94.99 N
700
+ ATOM 700 O VAL A 86 8.208 10.725 19.464 1.00 94.31 O
701
+ ATOM 701 C ALA A 87 8.513 7.884 18.797 1.00 94.82 C
702
+ ATOM 702 CA ALA A 87 7.410 8.541 17.971 1.00 94.99 C
703
+ ATOM 703 CB ALA A 87 6.970 7.611 16.843 1.00 94.17 C
704
+ ATOM 704 N ALA A 87 7.852 9.823 17.431 1.00 95.10 N
705
+ ATOM 705 O ALA A 87 8.254 7.351 19.878 1.00 94.16 O
706
+ ATOM 706 C TYR A 88 11.038 8.086 20.331 1.00 94.38 C
707
+ ATOM 707 CA TYR A 88 10.824 7.398 18.988 1.00 94.54 C
708
+ ATOM 708 CB TYR A 88 12.098 7.496 18.144 1.00 94.04 C
709
+ ATOM 709 CD1 TYR A 88 13.627 5.598 18.809 1.00 89.17 C
710
+ ATOM 710 CD2 TYR A 88 14.190 7.808 19.519 1.00 88.90 C
711
+ ATOM 711 CE1 TYR A 88 14.757 5.097 19.447 1.00 88.48 C
712
+ ATOM 712 CE2 TYR A 88 15.323 7.319 20.162 1.00 88.78 C
713
+ ATOM 713 CG TYR A 88 13.327 6.958 18.836 1.00 92.35 C
714
+ ATOM 714 CZ TYR A 88 15.598 5.964 20.120 1.00 87.10 C
715
+ ATOM 715 N TYR A 88 9.693 7.984 18.277 1.00 94.48 N
716
+ ATOM 716 O TYR A 88 11.162 7.421 21.363 1.00 93.73 O
717
+ ATOM 717 OH TYR A 88 16.718 5.474 20.752 1.00 81.06 O
718
+ ATOM 718 C TYR A 89 10.175 10.121 22.547 1.00 94.14 C
719
+ ATOM 719 CA TYR A 89 11.376 10.110 21.609 1.00 94.46 C
720
+ ATOM 720 CB TYR A 89 11.805 11.546 21.293 1.00 94.01 C
721
+ ATOM 721 CD1 TYR A 89 14.288 11.348 21.713 1.00 91.17 C
722
+ ATOM 722 CD2 TYR A 89 13.559 12.099 19.566 1.00 90.93 C
723
+ ATOM 723 CE1 TYR A 89 15.614 11.460 21.309 1.00 90.58 C
724
+ ATOM 724 CE2 TYR A 89 14.881 12.214 19.151 1.00 90.67 C
725
+ ATOM 725 CG TYR A 89 13.243 11.667 20.849 1.00 93.29 C
726
+ ATOM 726 CZ TYR A 89 15.900 11.892 20.028 1.00 89.79 C
727
+ ATOM 727 N TYR A 89 11.071 9.385 20.379 1.00 94.16 N
728
+ ATOM 728 O TYR A 89 10.282 10.557 23.696 1.00 93.32 O
729
+ ATOM 729 OH TYR A 89 17.212 12.004 19.623 1.00 86.39 O
730
+ ATOM 730 C SER A 90 8.066 8.206 23.756 1.00 94.24 C
731
+ ATOM 731 CA SER A 90 7.882 9.469 22.921 1.00 94.98 C
732
+ ATOM 732 CB SER A 90 6.595 9.365 22.100 1.00 94.17 C
733
+ ATOM 733 N SER A 90 9.028 9.700 22.049 1.00 95.08 N
734
+ ATOM 734 O SER A 90 7.446 8.057 24.810 1.00 92.78 O
735
+ ATOM 735 OG SER A 90 6.285 10.606 21.491 1.00 84.11 O
736
+ ATOM 736 C LYS A 91 10.618 6.130 24.743 1.00 92.96 C
737
+ ATOM 737 CA LYS A 91 9.270 6.103 24.027 1.00 93.74 C
738
+ ATOM 738 CB LYS A 91 9.220 4.928 23.048 1.00 92.40 C
739
+ ATOM 739 CD LYS A 91 7.864 3.514 21.468 1.00 80.36 C
740
+ ATOM 740 CE LYS A 91 6.517 3.338 20.778 1.00 73.15 C
741
+ ATOM 741 CG LYS A 91 7.851 4.700 22.425 1.00 84.92 C
742
+ ATOM 742 N LYS A 91 9.018 7.361 23.331 1.00 94.19 N
743
+ ATOM 743 NZ LYS A 91 6.537 2.200 19.810 1.00 66.85 N
744
+ ATOM 744 O LYS A 91 10.818 5.417 25.727 1.00 91.25 O
745
+ ATOM 745 C HIS A 92 13.329 8.510 24.906 1.00 89.67 C
746
+ ATOM 746 CA HIS A 92 12.891 7.063 24.703 1.00 90.85 C
747
+ ATOM 747 CB HIS A 92 13.851 6.353 23.748 1.00 88.68 C
748
+ ATOM 748 CD2 HIS A 92 13.617 3.775 23.922 1.00 72.88 C
749
+ ATOM 749 CE1 HIS A 92 12.383 3.452 22.139 1.00 73.60 C
750
+ ATOM 750 CG HIS A 92 13.399 4.983 23.351 1.00 80.52 C
751
+ ATOM 751 N HIS A 92 11.523 6.992 24.199 1.00 90.96 N
752
+ ATOM 752 ND1 HIS A 92 12.623 4.749 22.237 1.00 70.63 N
753
+ ATOM 753 NE2 HIS A 92 12.975 2.838 23.149 1.00 73.23 N
754
+ ATOM 754 O HIS A 92 13.127 9.352 24.029 1.00 87.26 O
755
+ ATOM 755 C ALA A 93 15.745 10.370 25.445 1.00 85.57 C
756
+ ATOM 756 CA ALA A 93 14.431 10.178 26.199 1.00 86.58 C
757
+ ATOM 757 CB ALA A 93 14.620 10.493 27.681 1.00 84.50 C
758
+ ATOM 758 N ALA A 93 13.922 8.820 26.029 1.00 86.92 N
759
+ ATOM 759 O ALA A 93 15.934 11.379 24.761 1.00 82.67 O
760
+ ATOM 760 C ASP A 94 18.570 10.641 24.401 1.00 86.54 C
761
+ ATOM 761 CA ASP A 94 17.859 9.303 24.596 1.00 87.07 C
762
+ ATOM 762 CB ASP A 94 17.591 8.647 23.240 1.00 83.81 C
763
+ ATOM 763 CG ASP A 94 17.451 7.138 23.330 1.00 74.44 C
764
+ ATOM 764 N ASP A 94 16.613 9.475 25.336 1.00 87.76 N
765
+ ATOM 765 O ASP A 94 18.891 11.020 23.272 1.00 81.60 O
766
+ ATOM 766 OD1 ASP A 94 17.618 6.573 24.433 1.00 64.47 O
767
+ ATOM 767 OD2 ASP A 94 17.174 6.506 22.287 1.00 70.02 O
768
+ ATOM 768 C GLY A 95 18.762 13.845 25.541 1.00 85.87 C
769
+ ATOM 769 CA GLY A 95 19.651 12.634 25.329 1.00 85.18 C
770
+ ATOM 770 N GLY A 95 18.928 11.374 25.394 1.00 85.26 N
771
+ ATOM 771 O GLY A 95 19.255 14.965 25.689 1.00 84.65 O
772
+ ATOM 772 C LEU A 96 16.376 14.888 27.298 1.00 90.30 C
773
+ ATOM 773 CA LEU A 96 16.547 14.745 25.789 1.00 90.88 C
774
+ ATOM 774 CB LEU A 96 15.189 14.480 25.133 1.00 90.24 C
775
+ ATOM 775 CD1 LEU A 96 13.763 14.353 23.075 1.00 86.40 C
776
+ ATOM 776 CD2 LEU A 96 16.030 15.422 22.964 1.00 86.74 C
777
+ ATOM 777 CG LEU A 96 15.190 14.327 23.611 1.00 89.11 C
778
+ ATOM 778 N LEU A 96 17.485 13.674 25.471 1.00 90.27 N
779
+ ATOM 779 O LEU A 96 16.703 13.969 28.053 1.00 89.03 O
780
+ ATOM 780 C CYS A 97 14.547 15.307 29.652 1.00 90.23 C
781
+ ATOM 781 CA CYS A 97 15.616 16.248 29.107 1.00 90.71 C
782
+ ATOM 782 CB CYS A 97 15.182 17.699 29.313 1.00 89.78 C
783
+ ATOM 783 N CYS A 97 15.873 15.985 27.696 1.00 90.39 N
784
+ ATOM 784 O CYS A 97 14.525 15.012 30.848 1.00 88.68 O
785
+ ATOM 785 SG CYS A 97 13.679 18.143 28.417 1.00 91.27 S
786
+ ATOM 786 C HIS A 98 11.999 13.387 27.867 1.00 91.57 C
787
+ ATOM 787 CA HIS A 98 12.577 14.010 29.133 1.00 91.38 C
788
+ ATOM 788 CB HIS A 98 11.479 14.745 29.905 1.00 90.28 C
789
+ ATOM 789 CD2 HIS A 98 10.454 13.548 31.965 1.00 79.99 C
790
+ ATOM 790 CE1 HIS A 98 8.924 12.378 30.917 1.00 81.69 C
791
+ ATOM 791 CG HIS A 98 10.554 13.834 30.645 1.00 85.55 C
792
+ ATOM 792 N HIS A 98 13.675 14.918 28.819 1.00 90.60 N
793
+ ATOM 793 ND1 HIS A 98 9.583 13.085 30.014 1.00 79.69 N
794
+ ATOM 794 NE2 HIS A 98 9.433 12.640 32.109 1.00 81.98 N
795
+ ATOM 795 O HIS A 98 12.128 13.950 26.777 1.00 90.91 O
796
+ ATOM 796 C ARG A 99 9.492 12.650 26.577 1.00 93.17 C
797
+ ATOM 797 CA ARG A 99 10.670 11.746 26.923 1.00 92.86 C
798
+ ATOM 798 CB ARG A 99 10.174 10.332 27.228 1.00 90.76 C
799
+ ATOM 799 CD ARG A 99 8.785 8.824 28.692 1.00 76.43 C
800
+ ATOM 800 CG ARG A 99 9.215 10.256 28.406 1.00 80.12 C
801
+ ATOM 801 CZ ARG A 99 6.662 8.698 29.953 1.00 67.96 C
802
+ ATOM 802 N ARG A 99 11.425 12.280 28.053 1.00 92.47 N
803
+ ATOM 803 NE ARG A 99 7.990 8.733 29.913 1.00 72.66 N
804
+ ATOM 804 NH1 ARG A 99 5.949 8.744 28.833 1.00 57.50 N
805
+ ATOM 805 NH2 ARG A 99 6.040 8.613 31.120 1.00 52.50 N
806
+ ATOM 806 O ARG A 99 8.979 13.369 27.437 1.00 92.63 O
807
+ ATOM 807 C LEU A 100 6.573 12.751 25.305 1.00 93.21 C
808
+ ATOM 808 CA LEU A 100 7.875 13.384 24.823 1.00 94.47 C
809
+ ATOM 809 CB LEU A 100 7.865 13.500 23.297 1.00 93.62 C
810
+ ATOM 810 CD1 LEU A 100 9.039 13.922 21.122 1.00 86.23 C
811
+ ATOM 811 CD2 LEU A 100 9.627 15.282 23.147 1.00 86.65 C
812
+ ATOM 812 CG LEU A 100 9.183 13.914 22.639 1.00 91.22 C
813
+ ATOM 813 N LEU A 100 9.027 12.607 25.269 1.00 93.89 N
814
+ ATOM 814 O LEU A 100 6.216 11.652 24.875 1.00 91.23 O
815
+ ATOM 815 C THR A 101 3.319 13.351 26.315 1.00 92.45 C
816
+ ATOM 816 CA THR A 101 4.641 12.771 26.807 1.00 93.36 C
817
+ ATOM 817 CB THR A 101 4.730 12.919 28.338 1.00 91.67 C
818
+ ATOM 818 CG2 THR A 101 5.942 12.174 28.892 1.00 74.49 C
819
+ ATOM 819 N THR A 101 5.768 13.418 26.145 1.00 93.82 N
820
+ ATOM 820 O THR A 101 2.333 12.626 26.163 1.00 90.15 O
821
+ ATOM 821 OG1 THR A 101 4.844 14.307 28.672 1.00 75.70 O
822
+ ATOM 822 C THR A 102 2.313 16.401 24.711 1.00 93.99 C
823
+ ATOM 823 CA THR A 102 2.057 15.341 25.779 1.00 93.64 C
824
+ ATOM 824 CB THR A 102 1.417 15.999 27.017 1.00 91.93 C
825
+ ATOM 825 CG2 THR A 102 0.052 16.591 26.681 1.00 71.45 C
826
+ ATOM 826 N THR A 102 3.292 14.648 26.127 1.00 93.54 N
827
+ ATOM 827 O THR A 102 3.269 17.172 24.811 1.00 93.45 O
828
+ ATOM 828 OG1 THR A 102 1.260 15.014 28.046 1.00 73.10 O
829
+ ATOM 829 C VAL A 103 1.059 18.831 23.374 1.00 94.65 C
830
+ ATOM 830 CA VAL A 103 1.510 17.512 22.753 1.00 94.92 C
831
+ ATOM 831 CB VAL A 103 0.646 17.183 21.514 1.00 94.21 C
832
+ ATOM 832 CG1 VAL A 103 0.629 18.359 20.540 1.00 90.95 C
833
+ ATOM 833 CG2 VAL A 103 1.161 15.920 20.826 1.00 90.35 C
834
+ ATOM 834 N VAL A 103 1.445 16.448 23.750 1.00 94.74 N
835
+ ATOM 835 O VAL A 103 0.070 18.872 24.111 1.00 93.94 O
836
+ ATOM 836 C CYS A 104 0.110 21.620 23.218 1.00 93.08 C
837
+ ATOM 837 CA CYS A 104 1.485 21.175 23.702 1.00 94.39 C
838
+ ATOM 838 CB CYS A 104 2.541 22.194 23.273 1.00 93.33 C
839
+ ATOM 839 N CYS A 104 1.816 19.850 23.190 1.00 94.31 N
840
+ ATOM 840 O CYS A 104 -0.169 21.593 22.018 1.00 90.57 O
841
+ ATOM 841 SG CYS A 104 2.340 23.817 24.040 1.00 87.52 S
842
+ ATOM 842 C PRO A 105 -1.971 23.883 22.971 1.00 88.25 C
843
+ ATOM 843 CA PRO A 105 -2.079 22.547 23.703 1.00 89.87 C
844
+ ATOM 844 CB PRO A 105 -2.857 22.703 25.012 1.00 88.25 C
845
+ ATOM 845 CD PRO A 105 -0.646 21.841 25.539 1.00 84.39 C
846
+ ATOM 846 CG PRO A 105 -2.064 21.938 26.022 1.00 84.64 C
847
+ ATOM 847 N PRO A 105 -0.779 22.036 24.142 1.00 90.82 N
848
+ ATOM 848 O PRO A 105 -1.067 24.674 23.254 1.00 85.23 O
849
+ ATOM 849 C THR A 106 -3.409 26.456 21.977 1.00 76.11 C
850
+ ATOM 850 CA THR A 106 -2.737 25.371 21.140 1.00 78.03 C
851
+ ATOM 851 CB THR A 106 -3.459 25.241 19.786 1.00 73.28 C
852
+ ATOM 852 CG2 THR A 106 -2.624 24.444 18.791 1.00 65.01 C
853
+ ATOM 853 N THR A 106 -2.722 24.101 21.856 1.00 79.41 N
854
+ ATOM 854 O THR A 106 -4.321 26.169 22.755 1.00 70.71 O
855
+ ATOM 855 OG1 THR A 106 -4.713 24.576 19.982 1.00 65.98 O
856
+ TER 856 THR A 106
857
+ END
1o49/1o49_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1okw/1okw_ligand.mol2 ADDED
@@ -0,0 +1,236 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1okw_ligand
7
+ 110 110 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C 35.5100 19.3700 -1.9170 C.2 1 ACE 0.1751
14
+ 2 O 34.3100 19.1800 -2.0380 O.2 1 ACE -0.3972
15
+ 3 CH3 36.3720 18.1580 -2.0620 C.3 1 ACE 0.0258
16
+ 4 N 36.1070 20.5510 -1.7210 N.am 1 ARG -0.2658
17
+ 5 CA 37.4220 20.6150 -1.1050 C.3 1 ARG 0.1310
18
+ 6 C 37.5810 21.6800 -0.0610 C.2 1 ARG 0.2039
19
+ 7 O 37.1700 22.8020 -0.2830 O.2 1 ARG -0.3944
20
+ 8 CB 38.5330 20.8320 -2.1050 C.3 1 ARG -0.0092
21
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11
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12
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14
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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
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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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36
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37
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39
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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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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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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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87
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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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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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163
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166
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167
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176
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+ M END
336
+ $$$$
2ez5/2ez5_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,365 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C GLY A 1 -10.542 16.795 7.155 1.00 36.75 C
2
+ ATOM 2 CA GLY A 1 -9.776 18.099 7.049 1.00 35.37 C
3
+ ATOM 3 N GLY A 1 -8.374 17.914 6.707 1.00 35.87 N
4
+ ATOM 4 O GLY A 1 -10.204 15.815 6.487 1.00 35.88 O
5
+ ATOM 5 C PRO A 2 -11.766 14.792 6.633 1.00 41.19 C
6
+ ATOM 6 CA PRO A 2 -11.326 14.966 8.085 1.00 39.94 C
7
+ ATOM 7 CB PRO A 2 -12.522 14.845 9.035 1.00 37.96 C
8
+ ATOM 8 CD PRO A 2 -11.558 17.076 9.141 1.00 42.95 C
9
+ ATOM 9 CG PRO A 2 -12.707 16.220 9.591 1.00 37.59 C
10
+ ATOM 10 N PRO A 2 -10.808 16.307 8.363 1.00 40.66 N
11
+ ATOM 11 O PRO A 2 -12.549 15.595 6.121 1.00 39.89 O
12
+ ATOM 12 C LEU A 3 -11.095 14.219 3.292 1.00 37.07 C
13
+ ATOM 13 CA LEU A 3 -11.517 15.269 4.315 1.00 40.84 C
14
+ ATOM 14 CB LEU A 3 -10.949 16.636 3.927 1.00 33.96 C
15
+ ATOM 15 CD1 LEU A 3 -10.601 19.059 4.467 1.00 33.36 C
16
+ ATOM 16 CD2 LEU A 3 -12.928 18.132 4.311 1.00 34.98 C
17
+ ATOM 17 CG LEU A 3 -11.484 17.838 4.705 1.00 33.61 C
18
+ ATOM 18 N LEU A 3 -11.076 14.894 5.655 1.00 36.92 N
19
+ ATOM 19 O LEU A 3 -9.910 13.898 3.178 1.00 36.23 O
20
+ ATOM 20 C GLY A 4 -13.097 10.753 2.814 1.00 43.30 C
21
+ ATOM 21 CA GLY A 4 -12.583 12.095 2.330 1.00 43.01 C
22
+ ATOM 22 N GLY A 4 -11.783 12.793 3.322 1.00 42.95 N
23
+ ATOM 23 O GLY A 4 -12.314 9.888 3.213 1.00 41.51 O
24
+ ATOM 24 C SER A 5 -15.454 9.337 2.371 1.00 42.10 C
25
+ ATOM 25 CA SER A 5 -15.033 9.592 3.814 1.00 44.19 C
26
+ ATOM 26 CB SER A 5 -16.230 10.093 4.622 1.00 39.05 C
27
+ ATOM 27 N SER A 5 -13.932 10.548 3.883 1.00 42.05 N
28
+ ATOM 28 O SER A 5 -16.027 10.215 1.722 1.00 40.61 O
29
+ ATOM 29 OG SER A 5 -16.092 11.472 4.923 1.00 36.84 O
30
+ ATOM 30 C GLY A 6 -14.108 6.856 0.315 1.00 47.20 C
31
+ ATOM 31 CA GLY A 6 -14.704 8.244 0.184 1.00 46.27 C
32
+ ATOM 32 N GLY A 6 -14.511 9.064 1.370 1.00 47.19 N
33
+ ATOM 33 O GLY A 6 -13.040 6.686 0.906 1.00 45.08 O
34
+ ATOM 34 C GLU A 7 -13.048 4.556 0.306 1.00 50.26 C
35
+ ATOM 35 CA GLU A 7 -14.292 4.704 1.178 1.00 50.10 C
36
+ ATOM 36 CB GLU A 7 -15.409 3.794 0.659 1.00 45.11 C
37
+ ATOM 37 CD GLU A 7 -17.500 2.473 1.235 1.00 44.31 C
38
+ ATOM 38 CG GLU A 7 -16.526 3.559 1.665 1.00 41.86 C
39
+ ATOM 39 N GLU A 7 -14.741 6.092 1.226 1.00 50.11 N
40
+ ATOM 40 O GLU A 7 -13.087 4.838 -0.893 1.00 47.86 O
41
+ ATOM 41 OE1 GLU A 7 -17.452 2.044 0.060 1.00 45.86 O
42
+ ATOM 42 OE2 GLU A 7 -18.318 2.048 2.082 1.00 42.20 O
43
+ ATOM 43 C GLU A 8 -10.670 3.412 -0.525 1.00 65.34 C
44
+ ATOM 44 CA GLU A 8 -10.612 4.817 0.069 1.00 64.21 C
45
+ ATOM 45 CB GLU A 8 -9.447 4.922 1.056 1.00 60.54 C
46
+ ATOM 46 CD GLU A 8 -7.855 6.456 2.307 1.00 57.64 C
47
+ ATOM 47 CG GLU A 8 -9.121 6.349 1.474 1.00 58.22 C
48
+ ATOM 48 N GLU A 8 -11.870 5.167 0.721 1.00 64.80 N
49
+ ATOM 49 O GLU A 8 -11.252 2.504 0.071 1.00 62.46 O
50
+ ATOM 50 OE1 GLU A 8 -7.243 5.409 2.621 1.00 56.69 O
51
+ ATOM 51 OE2 GLU A 8 -7.471 7.596 2.652 1.00 52.20 O
52
+ ATOM 52 C GLU A 9 -9.699 1.138 -1.724 1.00 81.82 C
53
+ ATOM 53 CA GLU A 9 -10.650 2.017 -2.530 1.00 80.49 C
54
+ ATOM 54 CB GLU A 9 -10.155 2.139 -3.974 1.00 77.53 C
55
+ ATOM 55 CD GLU A 9 -10.811 2.559 -6.392 1.00 68.01 C
56
+ ATOM 56 CG GLU A 9 -11.184 2.729 -4.928 1.00 71.45 C
57
+ ATOM 57 N GLU A 9 -10.791 3.338 -1.924 1.00 79.51 N
58
+ ATOM 58 O GLU A 9 -8.634 1.593 -1.299 1.00 80.43 O
59
+ ATOM 59 OE1 GLU A 9 -9.713 2.030 -6.682 1.00 66.12 O
60
+ ATOM 60 OE2 GLU A 9 -11.621 2.958 -7.257 1.00 60.50 O
61
+ ATOM 61 C PRO A 10 -8.199 -1.179 -1.327 1.00 86.84 C
62
+ ATOM 62 CA PRO A 10 -9.459 -0.815 -0.545 1.00 85.71 C
63
+ ATOM 63 CB PRO A 10 -10.329 -2.051 -0.306 1.00 84.33 C
64
+ ATOM 64 CD PRO A 10 -11.601 -0.598 -1.785 1.00 80.96 C
65
+ ATOM 65 CG PRO A 10 -11.336 -2.028 -1.411 1.00 81.77 C
66
+ ATOM 66 N PRO A 10 -10.346 0.085 -1.286 1.00 84.96 N
67
+ ATOM 67 O PRO A 10 -8.212 -1.178 -2.561 1.00 86.60 O
68
+ ATOM 68 C LEU A 11 -6.246 -3.275 -1.849 1.00 90.68 C
69
+ ATOM 69 CA LEU A 11 -5.958 -1.911 -1.231 1.00 90.33 C
70
+ ATOM 70 CB LEU A 11 -4.823 -2.030 -0.210 1.00 89.23 C
71
+ ATOM 71 CD1 LEU A 11 -3.272 -0.971 1.450 1.00 83.32 C
72
+ ATOM 72 CD2 LEU A 11 -3.451 -0.034 -0.871 1.00 84.41 C
73
+ ATOM 73 CG LEU A 11 -4.201 -0.717 0.268 1.00 86.76 C
74
+ ATOM 74 N LEU A 11 -7.154 -1.362 -0.602 1.00 89.47 N
75
+ ATOM 75 O LEU A 11 -7.077 -4.031 -1.337 1.00 90.02 O
76
+ ATOM 76 C PRO A 12 -5.332 -6.002 -2.497 1.00 91.05 C
77
+ ATOM 77 CA PRO A 12 -5.778 -4.942 -3.501 1.00 90.56 C
78
+ ATOM 78 CB PRO A 12 -4.863 -4.930 -4.727 1.00 89.67 C
79
+ ATOM 79 CD PRO A 12 -4.768 -2.700 -3.760 1.00 86.94 C
80
+ ATOM 80 CG PRO A 12 -4.658 -3.483 -5.038 1.00 87.84 C
81
+ ATOM 81 N PRO A 12 -5.657 -3.579 -2.977 1.00 89.96 N
82
+ ATOM 82 O PRO A 12 -4.572 -5.702 -1.572 1.00 90.68 O
83
+ ATOM 83 C PRO A 13 -3.791 -8.435 -1.746 1.00 91.88 C
84
+ ATOM 84 CA PRO A 13 -5.314 -8.342 -1.810 1.00 92.06 C
85
+ ATOM 85 CB PRO A 13 -5.910 -9.589 -2.467 1.00 89.94 C
86
+ ATOM 86 CD PRO A 13 -6.738 -7.673 -3.714 1.00 82.12 C
87
+ ATOM 87 CG PRO A 13 -7.048 -9.080 -3.292 1.00 83.72 C
88
+ ATOM 88 N PRO A 13 -5.778 -7.252 -2.673 1.00 91.49 N
89
+ ATOM 89 O PRO A 13 -3.110 -8.166 -2.738 1.00 90.76 O
90
+ ATOM 90 C ARG A 14 -1.009 -7.660 -0.330 1.00 93.65 C
91
+ ATOM 91 CA ARG A 14 -1.793 -8.966 -0.250 1.00 93.81 C
92
+ ATOM 92 CB ARG A 14 -1.193 -9.996 -1.210 1.00 92.51 C
93
+ ATOM 93 CD ARG A 14 -1.166 -12.372 -2.045 1.00 83.24 C
94
+ ATOM 94 CG ARG A 14 -1.866 -11.358 -1.150 1.00 87.32 C
95
+ ATOM 95 CZ ARG A 14 1.081 -13.390 -2.210 1.00 78.03 C
96
+ ATOM 96 N ARG A 14 -3.205 -8.748 -0.549 1.00 93.70 N
97
+ ATOM 97 NE ARG A 14 0.151 -12.729 -1.526 1.00 79.95 N
98
+ ATOM 98 NH1 ARG A 14 0.856 -13.779 -3.460 1.00 63.07 N
99
+ ATOM 99 NH2 ARG A 14 2.247 -13.663 -1.641 1.00 58.32 N
100
+ ATOM 100 O ARG A 14 0.222 -7.671 -0.383 1.00 92.43 O
101
+ ATOM 101 C TRP A 15 -1.206 -4.681 1.148 1.00 92.13 C
102
+ ATOM 102 CA TRP A 15 -0.960 -5.261 -0.241 1.00 93.32 C
103
+ ATOM 103 CB TRP A 15 -1.454 -4.283 -1.310 1.00 91.86 C
104
+ ATOM 104 CD1 TRP A 15 -1.201 -5.597 -3.500 1.00 80.33 C
105
+ ATOM 105 CD2 TRP A 15 0.054 -3.747 -3.384 1.00 82.82 C
106
+ ATOM 106 CE2 TRP A 15 0.286 -4.373 -4.628 1.00 87.60 C
107
+ ATOM 107 CE3 TRP A 15 0.735 -2.560 -3.083 1.00 82.46 C
108
+ ATOM 108 CG TRP A 15 -0.901 -4.546 -2.679 1.00 87.30 C
109
+ ATOM 109 CH2 TRP A 15 1.827 -2.688 -5.253 1.00 79.44 C
110
+ ATOM 110 CZ2 TRP A 15 1.173 -3.849 -5.573 1.00 80.46 C
111
+ ATOM 111 CZ3 TRP A 15 1.617 -2.041 -4.024 1.00 80.73 C
112
+ ATOM 112 N TRP A 15 -1.616 -6.557 -0.389 1.00 92.42 N
113
+ ATOM 113 NE1 TRP A 15 -0.491 -5.498 -4.675 1.00 82.77 N
114
+ ATOM 114 O TRP A 15 -2.257 -4.918 1.749 1.00 90.21 O
115
+ ATOM 115 C SER A 16 0.116 -1.762 2.685 1.00 93.28 C
116
+ ATOM 116 CA SER A 16 -0.477 -3.152 2.884 1.00 93.22 C
117
+ ATOM 117 CB SER A 16 0.184 -3.831 4.084 1.00 91.83 C
118
+ ATOM 118 N SER A 16 -0.324 -3.970 1.684 1.00 93.14 N
119
+ ATOM 119 O SER A 16 0.874 -1.534 1.740 1.00 92.63 O
120
+ ATOM 120 OG SER A 16 1.574 -4.002 3.862 1.00 80.39 O
121
+ ATOM 121 C MET A 17 0.819 0.951 4.884 1.00 92.31 C
122
+ ATOM 122 CA MET A 17 0.236 0.562 3.529 1.00 92.26 C
123
+ ATOM 123 CB MET A 17 -0.891 1.523 3.149 1.00 90.77 C
124
+ ATOM 124 CE MET A 17 -2.979 3.928 3.993 1.00 74.69 C
125
+ ATOM 125 CG MET A 17 -0.478 2.987 3.161 1.00 84.00 C
126
+ ATOM 126 N MET A 17 -0.247 -0.816 3.546 1.00 92.15 N
127
+ ATOM 127 O MET A 17 0.267 0.596 5.926 1.00 91.42 O
128
+ ATOM 128 SD MET A 17 -1.824 4.101 2.603 1.00 77.60 S
129
+ ATOM 129 C GLN A 18 3.110 3.465 5.966 1.00 92.44 C
130
+ ATOM 130 CA GLN A 18 2.515 2.073 6.151 1.00 92.42 C
131
+ ATOM 131 CB GLN A 18 3.611 1.083 6.551 1.00 90.25 C
132
+ ATOM 132 CD GLN A 18 4.172 -1.219 7.442 1.00 77.12 C
133
+ ATOM 133 CG GLN A 18 3.089 -0.304 6.901 1.00 80.04 C
134
+ ATOM 134 N GLN A 18 1.838 1.624 4.938 1.00 92.56 N
135
+ ATOM 135 NE2 GLN A 18 3.883 -2.516 7.490 1.00 68.93 N
136
+ ATOM 136 O GLN A 18 3.300 3.919 4.835 1.00 91.48 O
137
+ ATOM 137 OE1 GLN A 18 5.259 -0.765 7.811 1.00 74.63 O
138
+ ATOM 138 C VAL A 19 5.363 5.471 7.535 1.00 90.80 C
139
+ ATOM 139 CA VAL A 19 3.922 5.586 7.044 1.00 90.95 C
140
+ ATOM 140 CB VAL A 19 3.136 6.586 7.922 1.00 88.67 C
141
+ ATOM 141 CG1 VAL A 19 3.784 7.967 7.878 1.00 79.86 C
142
+ ATOM 142 CG2 VAL A 19 1.678 6.660 7.472 1.00 79.37 C
143
+ ATOM 143 N VAL A 19 3.294 4.268 7.040 1.00 90.47 N
144
+ ATOM 144 O VAL A 19 5.615 4.937 8.617 1.00 89.53 O
145
+ ATOM 145 C ALA A 20 7.999 6.885 8.093 1.00 90.02 C
146
+ ATOM 146 CA ALA A 20 7.742 5.834 7.018 1.00 89.89 C
147
+ ATOM 147 CB ALA A 20 8.610 6.108 5.792 1.00 88.40 C
148
+ ATOM 148 N ALA A 20 6.330 5.799 6.644 1.00 89.36 N
149
+ ATOM 149 O ALA A 20 7.150 7.744 8.346 1.00 89.33 O
150
+ ATOM 150 C PRO A 21 9.393 9.253 9.372 1.00 89.85 C
151
+ ATOM 151 CA PRO A 21 9.427 7.811 9.875 1.00 90.30 C
152
+ ATOM 152 CB PRO A 21 10.839 7.421 10.318 1.00 89.24 C
153
+ ATOM 153 CD PRO A 21 10.156 5.685 8.759 1.00 85.98 C
154
+ ATOM 154 CG PRO A 21 10.950 5.964 10.003 1.00 86.91 C
155
+ ATOM 155 N PRO A 21 9.123 6.838 8.823 1.00 90.23 N
156
+ ATOM 156 O PRO A 21 9.137 10.176 10.149 1.00 88.43 O
157
+ ATOM 157 C ASN A 22 8.229 11.368 7.213 1.00 87.01 C
158
+ ATOM 158 CA ASN A 22 9.640 10.921 7.584 1.00 87.89 C
159
+ ATOM 159 CB ASN A 22 10.561 11.001 6.365 1.00 86.59 C
160
+ ATOM 160 CG ASN A 22 10.121 10.087 5.239 1.00 83.28 C
161
+ ATOM 161 N ASN A 22 9.647 9.574 8.143 1.00 88.93 N
162
+ ATOM 162 ND2 ASN A 22 10.977 9.922 4.239 1.00 79.49 N
163
+ ATOM 163 O ASN A 22 8.039 12.462 6.679 1.00 84.15 O
164
+ ATOM 164 OD1 ASN A 22 9.019 9.533 5.268 1.00 79.41 O
165
+ ATOM 165 C GLY A 23 5.317 10.459 5.860 1.00 88.30 C
166
+ ATOM 166 CA GLY A 23 5.837 10.883 7.221 1.00 88.88 C
167
+ ATOM 167 N GLY A 23 7.221 10.500 7.448 1.00 89.46 N
168
+ ATOM 168 O GLY A 23 4.141 10.658 5.549 1.00 86.23 O
169
+ ATOM 169 C ARG A 24 5.176 8.118 3.689 1.00 90.20 C
170
+ ATOM 170 CA ARG A 24 5.848 9.486 3.644 1.00 89.96 C
171
+ ATOM 171 CB ARG A 24 7.044 9.453 2.689 1.00 88.32 C
172
+ ATOM 172 CD ARG A 24 8.748 10.736 1.351 1.00 79.01 C
173
+ ATOM 173 CG ARG A 24 7.566 10.828 2.307 1.00 81.76 C
174
+ ATOM 174 CZ ARG A 24 9.186 9.862 -0.920 1.00 71.26 C
175
+ ATOM 175 N ARG A 24 6.269 9.908 4.977 1.00 90.26 N
176
+ ATOM 176 NE ARG A 24 8.345 10.231 0.042 1.00 73.31 N
177
+ ATOM 177 NH1 ARG A 24 10.500 9.936 -0.736 1.00 63.39 N
178
+ ATOM 178 NH2 ARG A 24 8.712 9.417 -2.074 1.00 60.66 N
179
+ ATOM 179 O ARG A 24 5.622 7.226 4.413 1.00 89.20 O
180
+ ATOM 180 C THR A 25 4.057 5.883 1.835 1.00 91.45 C
181
+ ATOM 181 CA THR A 25 3.391 6.801 2.855 1.00 90.93 C
182
+ ATOM 182 CB THR A 25 1.917 7.019 2.467 1.00 89.26 C
183
+ ATOM 183 CG2 THR A 25 1.185 5.690 2.315 1.00 82.14 C
184
+ ATOM 184 N THR A 25 4.106 8.069 2.955 1.00 90.83 N
185
+ ATOM 185 O THR A 25 4.477 6.333 0.767 1.00 90.88 O
186
+ ATOM 186 OG1 THR A 25 1.270 7.795 3.484 1.00 82.58 O
187
+ ATOM 187 C PHE A 26 3.876 2.332 1.202 1.00 93.37 C
188
+ ATOM 188 CA PHE A 26 4.749 3.580 1.127 1.00 93.04 C
189
+ ATOM 189 CB PHE A 26 6.215 3.210 1.363 1.00 92.47 C
190
+ ATOM 190 CD1 PHE A 26 6.567 3.145 3.854 1.00 90.11 C
191
+ ATOM 191 CD2 PHE A 26 6.566 1.079 2.651 1.00 89.98 C
192
+ ATOM 192 CE1 PHE A 26 6.788 2.458 5.044 1.00 88.97 C
193
+ ATOM 193 CE2 PHE A 26 6.787 0.384 3.836 1.00 88.97 C
194
+ ATOM 194 CG PHE A 26 6.454 2.464 2.648 1.00 91.49 C
195
+ ATOM 195 CZ PHE A 26 6.898 1.076 5.032 1.00 88.26 C
196
+ ATOM 196 N PHE A 26 4.309 4.578 2.095 1.00 92.80 N
197
+ ATOM 197 O PHE A 26 3.143 2.138 2.174 1.00 92.97 O
198
+ ATOM 198 C PHE A 27 3.879 -0.884 -0.094 1.00 93.40 C
199
+ ATOM 199 CA PHE A 27 3.030 0.377 0.016 1.00 93.54 C
200
+ ATOM 200 CB PHE A 27 2.144 0.523 -1.226 1.00 92.92 C
201
+ ATOM 201 CD1 PHE A 27 0.008 1.723 -0.657 1.00 89.64 C
202
+ ATOM 202 CD2 PHE A 27 1.742 2.946 -1.758 1.00 89.65 C
203
+ ATOM 203 CE1 PHE A 27 -0.794 2.861 -0.644 1.00 90.14 C
204
+ ATOM 204 CE2 PHE A 27 0.945 4.088 -1.748 1.00 90.32 C
205
+ ATOM 205 CG PHE A 27 1.281 1.755 -1.213 1.00 91.79 C
206
+ ATOM 206 CZ PHE A 27 -0.322 4.044 -1.192 1.00 89.99 C
207
+ ATOM 207 N PHE A 27 3.872 1.554 0.188 1.00 93.02 N
208
+ ATOM 208 O PHE A 27 4.964 -0.859 -0.679 1.00 92.80 O
209
+ ATOM 209 C ILE A 28 3.278 -4.234 -0.327 1.00 94.89 C
210
+ ATOM 210 CA ILE A 28 4.091 -3.250 0.511 1.00 95.12 C
211
+ ATOM 211 CB ILE A 28 4.284 -3.797 1.943 1.00 94.34 C
212
+ ATOM 212 CD1 ILE A 28 4.970 -3.080 4.305 1.00 87.99 C
213
+ ATOM 213 CG1 ILE A 28 5.005 -2.765 2.816 1.00 91.92 C
214
+ ATOM 214 CG2 ILE A 28 5.050 -5.123 1.916 1.00 91.48 C
215
+ ATOM 215 N ILE A 28 3.431 -1.949 0.521 1.00 94.89 N
216
+ ATOM 216 O ILE A 28 2.095 -4.458 -0.061 1.00 94.29 O
217
+ ATOM 217 C ASP A 29 3.889 -7.094 -1.653 1.00 94.83 C
218
+ ATOM 218 CA ASP A 29 3.382 -5.757 -2.188 1.00 95.13 C
219
+ ATOM 219 CB ASP A 29 3.756 -5.605 -3.663 1.00 94.15 C
220
+ ATOM 220 CG ASP A 29 3.250 -6.748 -4.525 1.00 90.01 C
221
+ ATOM 221 N ASP A 29 3.913 -4.644 -1.408 1.00 94.62 N
222
+ ATOM 222 O ASP A 29 5.009 -7.506 -1.958 1.00 94.18 O
223
+ ATOM 223 OD1 ASP A 29 2.632 -7.691 -3.986 1.00 86.99 O
224
+ ATOM 224 OD2 ASP A 29 3.475 -6.708 -5.754 1.00 90.40 O
225
+ ATOM 225 C HIS A 30 3.566 -10.226 -1.188 1.00 95.54 C
226
+ ATOM 226 CA HIS A 30 3.462 -9.064 -0.205 1.00 95.74 C
227
+ ATOM 227 CB HIS A 30 2.503 -9.421 0.931 1.00 95.23 C
228
+ ATOM 228 CD2 HIS A 30 1.635 -7.374 2.267 1.00 91.74 C
229
+ ATOM 229 CE1 HIS A 30 3.125 -7.396 3.875 1.00 91.62 C
230
+ ATOM 230 CG HIS A 30 2.475 -8.409 2.032 1.00 94.10 C
231
+ ATOM 231 N HIS A 30 3.029 -7.844 -0.877 1.00 95.66 N
232
+ ATOM 232 ND1 HIS A 30 3.398 -8.398 3.056 1.00 91.42 N
233
+ ATOM 233 NE2 HIS A 30 2.061 -6.759 3.419 1.00 92.50 N
234
+ ATOM 234 O HIS A 30 4.212 -11.235 -0.897 1.00 94.91 O
235
+ ATOM 235 C ALA A 31 4.488 -11.082 -4.011 1.00 94.74 C
236
+ ATOM 236 CA ALA A 31 3.108 -11.121 -3.359 1.00 94.89 C
237
+ ATOM 237 CB ALA A 31 2.018 -10.972 -4.418 1.00 93.61 C
238
+ ATOM 238 N ALA A 31 2.977 -10.080 -2.344 1.00 94.93 N
239
+ ATOM 239 O ALA A 31 5.129 -12.121 -4.186 1.00 93.95 O
240
+ ATOM 240 C SER A 32 7.342 -9.414 -3.981 1.00 93.82 C
241
+ ATOM 241 CA SER A 32 6.238 -9.724 -4.987 1.00 94.07 C
242
+ ATOM 242 CB SER A 32 6.168 -8.615 -6.037 1.00 92.78 C
243
+ ATOM 243 N SER A 32 4.948 -9.883 -4.323 1.00 94.40 N
244
+ ATOM 244 O SER A 32 8.520 -9.364 -4.339 1.00 92.61 O
245
+ ATOM 245 OG SER A 32 5.156 -8.887 -6.990 1.00 79.55 O
246
+ ATOM 246 C ARG A 33 8.670 -7.728 -2.059 1.00 93.97 C
247
+ ATOM 247 CA ARG A 33 7.909 -9.000 -1.703 1.00 94.87 C
248
+ ATOM 248 CB ARG A 33 8.890 -10.150 -1.468 1.00 92.92 C
249
+ ATOM 249 CD ARG A 33 9.276 -12.474 -0.578 1.00 78.97 C
250
+ ATOM 250 CG ARG A 33 8.242 -11.413 -0.925 1.00 83.33 C
251
+ ATOM 251 CZ ARG A 33 9.307 -14.788 0.295 1.00 75.10 C
252
+ ATOM 252 N ARG A 33 6.952 -9.348 -2.748 1.00 94.89 N
253
+ ATOM 253 NE ARG A 33 8.651 -13.683 -0.047 1.00 80.31 N
254
+ ATOM 254 NH1 ARG A 33 10.627 -14.860 0.167 1.00 59.67 N
255
+ ATOM 255 NH2 ARG A 33 8.639 -15.830 0.768 1.00 54.73 N
256
+ ATOM 256 O ARG A 33 9.901 -7.701 -2.010 1.00 91.74 O
257
+ ATOM 257 C ARG A 34 7.799 -4.272 -2.114 1.00 94.98 C
258
+ ATOM 258 CA ARG A 34 8.536 -5.423 -2.790 1.00 95.15 C
259
+ ATOM 259 CB ARG A 34 8.532 -5.227 -4.307 1.00 93.62 C
260
+ ATOM 260 CD ARG A 34 9.397 -5.958 -6.558 1.00 76.89 C
261
+ ATOM 261 CG ARG A 34 9.420 -6.209 -5.057 1.00 81.31 C
262
+ ATOM 262 CZ ARG A 34 10.758 -6.637 -8.507 1.00 68.06 C
263
+ ATOM 263 N ARG A 34 7.940 -6.707 -2.437 1.00 95.38 N
264
+ ATOM 264 NE ARG A 34 10.324 -6.835 -7.266 1.00 72.66 N
265
+ ATOM 265 NH1 ARG A 34 10.354 -5.581 -9.206 1.00 57.45 N
266
+ ATOM 266 NH2 ARG A 34 11.601 -7.499 -9.056 1.00 51.87 N
267
+ ATOM 267 O ARG A 34 6.619 -4.398 -1.774 1.00 94.13 O
268
+ ATOM 268 C THR A 35 7.899 -0.963 -2.606 1.00 94.38 C
269
+ ATOM 269 CA THR A 35 7.873 -2.013 -1.498 1.00 94.70 C
270
+ ATOM 270 CB THR A 35 8.594 -1.466 -0.253 1.00 93.72 C
271
+ ATOM 271 CG2 THR A 35 8.553 -2.473 0.893 1.00 85.23 C
272
+ ATOM 272 N THR A 35 8.475 -3.261 -1.955 1.00 94.57 N
273
+ ATOM 273 O THR A 35 8.763 -1.002 -3.484 1.00 93.54 O
274
+ ATOM 274 OG1 THR A 35 9.961 -1.191 -0.582 1.00 88.47 O
275
+ ATOM 275 C THR A 36 6.290 2.161 -2.988 1.00 93.23 C
276
+ ATOM 276 CA THR A 36 6.900 0.900 -3.592 1.00 93.68 C
277
+ ATOM 277 CB THR A 36 6.081 0.469 -4.824 1.00 93.04 C
278
+ ATOM 278 CG2 THR A 36 4.655 0.099 -4.433 1.00 90.55 C
279
+ ATOM 279 N THR A 36 6.967 -0.169 -2.601 1.00 93.61 N
280
+ ATOM 280 O THR A 36 5.535 2.088 -2.016 1.00 92.28 O
281
+ ATOM 281 OG1 THR A 36 6.042 1.549 -5.765 1.00 91.70 O
282
+ ATOM 282 C TRP A 37 4.826 4.995 -4.054 1.00 90.67 C
283
+ ATOM 283 CA TRP A 37 6.096 4.739 -3.249 1.00 92.21 C
284
+ ATOM 284 CB TRP A 37 7.102 5.870 -3.487 1.00 89.18 C
285
+ ATOM 285 CD1 TRP A 37 9.591 5.387 -3.089 1.00 67.58 C
286
+ ATOM 286 CD2 TRP A 37 8.468 6.021 -1.258 1.00 71.00 C
287
+ ATOM 287 CE2 TRP A 37 9.815 5.787 -0.905 1.00 73.63 C
288
+ ATOM 288 CE3 TRP A 37 7.567 6.432 -0.267 1.00 72.64 C
289
+ ATOM 289 CG TRP A 37 8.347 5.760 -2.660 1.00 76.86 C
290
+ ATOM 290 CH2 TRP A 37 9.381 6.353 1.352 1.00 69.77 C
291
+ ATOM 291 CZ2 TRP A 37 10.283 5.951 0.402 1.00 74.49 C
292
+ ATOM 292 CZ3 TRP A 37 8.035 6.594 1.032 1.00 70.15 C
293
+ ATOM 293 N TRP A 37 6.682 3.449 -3.595 1.00 91.12 N
294
+ ATOM 294 NE1 TRP A 37 10.479 5.402 -2.038 1.00 78.25 N
295
+ ATOM 295 O TRP A 37 4.201 6.051 -3.922 1.00 87.83 O
296
+ ATOM 296 C ILE A 38 2.130 3.566 -5.354 1.00 91.41 C
297
+ ATOM 297 CA ILE A 38 3.368 4.261 -5.915 1.00 91.56 C
298
+ ATOM 298 CB ILE A 38 3.702 3.709 -7.319 1.00 89.84 C
299
+ ATOM 299 CD1 ILE A 38 4.951 5.850 -7.967 1.00 76.15 C
300
+ ATOM 300 CG1 ILE A 38 5.000 4.333 -7.844 1.00 80.04 C
301
+ ATOM 301 CG2 ILE A 38 2.543 3.958 -8.288 1.00 78.49 C
302
+ ATOM 302 N ILE A 38 4.488 4.094 -4.995 1.00 91.23 N
303
+ ATOM 303 O ILE A 38 2.155 2.362 -5.084 1.00 90.44 O
304
+ ATOM 304 C ASP A 39 -0.762 2.762 -5.741 1.00 91.02 C
305
+ ATOM 305 CA ASP A 39 -0.184 3.732 -4.713 1.00 91.03 C
306
+ ATOM 306 CB ASP A 39 -1.183 4.858 -4.433 1.00 89.90 C
307
+ ATOM 307 CG ASP A 39 -2.469 4.365 -3.795 1.00 86.79 C
308
+ ATOM 308 N ASP A 39 1.091 4.279 -5.164 1.00 90.52 N
309
+ ATOM 309 O ASP A 39 -1.002 3.139 -6.890 1.00 90.21 O
310
+ ATOM 310 OD1 ASP A 39 -2.856 3.198 -4.023 1.00 85.42 O
311
+ ATOM 311 OD2 ASP A 39 -3.103 5.151 -3.057 1.00 87.18 O
312
+ ATOM 312 C PRO A 40 -2.868 0.826 -6.782 1.00 90.11 C
313
+ ATOM 313 CA PRO A 40 -1.451 0.517 -6.305 1.00 90.52 C
314
+ ATOM 314 CB PRO A 40 -1.408 -0.814 -5.550 1.00 89.83 C
315
+ ATOM 315 CD PRO A 40 -0.972 0.860 -3.840 1.00 89.10 C
316
+ ATOM 316 CG PRO A 40 -1.651 -0.450 -4.120 1.00 89.32 C
317
+ ATOM 317 N PRO A 40 -0.963 1.481 -5.317 1.00 90.24 N
318
+ ATOM 318 O PRO A 40 -3.325 0.264 -7.782 1.00 89.07 O
319
+ ATOM 319 C ARG A 41 -5.076 2.921 -7.633 1.00 88.08 C
320
+ ATOM 320 CA ARG A 41 -4.973 1.935 -6.474 1.00 88.46 C
321
+ ATOM 321 CB ARG A 41 -5.732 2.475 -5.259 1.00 87.67 C
322
+ ATOM 322 CD ARG A 41 -6.407 2.137 -2.856 1.00 84.55 C
323
+ ATOM 323 CG ARG A 41 -5.828 1.489 -4.105 1.00 85.69 C
324
+ ATOM 324 CZ ARG A 41 -5.774 3.905 -1.246 1.00 81.66 C
325
+ ATOM 325 N ARG A 41 -3.579 1.671 -6.133 1.00 88.59 N
326
+ ATOM 326 NE ARG A 41 -5.517 3.165 -2.320 1.00 80.99 N
327
+ ATOM 327 NH1 ARG A 41 -6.905 3.745 -0.567 1.00 73.28 N
328
+ ATOM 328 NH2 ARG A 41 -4.895 4.812 -0.846 1.00 73.10 N
329
+ ATOM 329 O ARG A 41 -6.022 2.865 -8.420 1.00 86.93 O
330
+ ATOM 330 C ASN A 42 -3.022 5.319 -9.340 1.00 86.58 C
331
+ ATOM 331 CA ASN A 42 -4.345 4.976 -8.663 1.00 86.37 C
332
+ ATOM 332 CB ASN A 42 -4.943 6.221 -8.005 1.00 85.13 C
333
+ ATOM 333 CG ASN A 42 -4.105 6.730 -6.848 1.00 82.09 C
334
+ ATOM 334 N ASN A 42 -4.185 3.907 -7.684 1.00 86.69 N
335
+ ATOM 335 ND2 ASN A 42 -4.763 7.282 -5.835 1.00 79.79 N
336
+ ATOM 336 O ASN A 42 -2.973 6.184 -10.216 1.00 85.21 O
337
+ ATOM 337 OD1 ASN A 42 -2.876 6.629 -6.865 1.00 79.96 O
338
+ ATOM 338 C GLY A 43 0.018 6.170 -9.180 1.00 86.30 C
339
+ ATOM 339 CA GLY A 43 -0.667 4.882 -9.598 1.00 87.14 C
340
+ ATOM 340 N GLY A 43 -1.950 4.679 -8.945 1.00 86.45 N
341
+ ATOM 341 O GLY A 43 0.990 6.594 -9.807 1.00 84.22 O
342
+ ATOM 342 C ARG A 44 1.222 8.001 -6.807 1.00 86.28 C
343
+ ATOM 343 CA ARG A 44 0.091 8.205 -7.811 1.00 86.38 C
344
+ ATOM 344 CB ARG A 44 -0.973 9.132 -7.220 1.00 83.52 C
345
+ ATOM 345 CD ARG A 44 -3.096 10.442 -7.566 1.00 72.72 C
346
+ ATOM 346 CG ARG A 44 -2.045 9.553 -8.214 1.00 75.06 C
347
+ ATOM 347 CZ ARG A 44 -3.132 12.594 -6.348 1.00 65.11 C
348
+ ATOM 348 N ARG A 44 -0.499 6.929 -8.201 1.00 86.72 N
349
+ ATOM 349 NE ARG A 44 -2.541 11.734 -7.172 1.00 64.74 N
350
+ ATOM 350 NH1 ARG A 44 -4.315 12.315 -5.811 1.00 52.29 N
351
+ ATOM 351 NH2 ARG A 44 -2.537 13.742 -6.057 1.00 48.03 N
352
+ ATOM 352 O ARG A 44 1.141 7.128 -5.942 1.00 84.62 O
353
+ ATOM 353 C ALA A 45 2.902 9.450 -4.639 1.00 81.49 C
354
+ ATOM 354 CA ALA A 45 3.326 8.805 -5.957 1.00 84.48 C
355
+ ATOM 355 CB ALA A 45 4.529 9.541 -6.542 1.00 80.41 C
356
+ ATOM 356 N ALA A 45 2.222 8.793 -6.913 1.00 84.40 N
357
+ ATOM 357 O ALA A 45 2.094 10.382 -4.629 1.00 77.24 O
358
+ ATOM 358 C SER A 46 3.887 10.799 -1.879 1.00 71.95 C
359
+ ATOM 359 CA SER A 46 3.064 9.541 -2.133 1.00 74.28 C
360
+ ATOM 360 CB SER A 46 3.339 8.511 -1.037 1.00 70.41 C
361
+ ATOM 361 N SER A 46 3.353 8.977 -3.449 1.00 75.57 N
362
+ ATOM 362 O SER A 46 4.968 10.965 -2.447 1.00 66.32 O
363
+ ATOM 363 OG SER A 46 4.696 8.104 -1.058 1.00 67.21 O
364
+ TER 364 SER A 46
365
+ END
2ez5/2ez5_protein_processed_fix.pdb ADDED
@@ -0,0 +1,709 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C GLY W 521 -13.582 -4.353 7.169 1.00 0.00 C
2
+ ATOM 2 CA GLY W 521 -12.550 -5.439 6.927 1.00 0.00 C
3
+ ATOM 3 N GLY W 521 -12.461 -5.832 5.494 1.00 0.00 N
4
+ ATOM 4 O GLY W 521 -13.247 -3.274 7.659 1.00 0.00 O
5
+ ATOM 5 HA2 GLY W 521 -12.774 -6.218 7.460 1.00 0.00 H
6
+ ATOM 6 HA3 GLY W 521 -11.682 -5.129 7.229 1.00 0.00 H
7
+ ATOM 7 C PRO W 522 -16.189 -3.329 8.493 1.00 0.00 C
8
+ ATOM 8 CA PRO W 522 -15.937 -3.636 7.021 1.00 0.00 C
9
+ ATOM 9 CB PRO W 522 -17.157 -4.322 6.399 1.00 0.00 C
10
+ ATOM 10 CD PRO W 522 -15.345 -5.869 6.242 1.00 0.00 C
11
+ ATOM 11 CG PRO W 522 -16.833 -5.776 6.425 1.00 0.00 C
12
+ ATOM 12 N PRO W 522 -14.857 -4.610 6.832 1.00 0.00 N
13
+ ATOM 13 O PRO W 522 -16.131 -4.219 9.342 1.00 0.00 O
14
+ ATOM 14 HA PRO W 522 -15.725 -2.780 6.616 1.00 0.00 H
15
+ ATOM 15 HB2 PRO W 522 -17.963 -4.132 6.904 1.00 0.00 H
16
+ ATOM 16 HB3 PRO W 522 -17.311 -4.012 5.493 1.00 0.00 H
17
+ ATOM 17 HG2 PRO W 522 -17.106 -6.178 7.265 1.00 0.00 H
18
+ ATOM 18 HG3 PRO W 522 -17.300 -6.249 5.719 1.00 0.00 H
19
+ ATOM 19 HD2 PRO W 522 -14.976 -6.644 6.694 1.00 0.00 H
20
+ ATOM 20 HD3 PRO W 522 -15.103 -5.944 5.306 1.00 0.00 H
21
+ ATOM 21 C LEU W 523 -15.446 -1.640 10.984 1.00 0.00 C
22
+ ATOM 22 CA LEU W 523 -16.728 -1.634 10.158 1.00 0.00 C
23
+ ATOM 23 CB LEU W 523 -17.777 -2.535 10.812 1.00 0.00 C
24
+ ATOM 24 CD1 LEU W 523 -18.183 -1.035 12.779 1.00 0.00 C
25
+ ATOM 25 CD2 LEU W 523 -19.638 -0.858 10.753 1.00 0.00 C
26
+ ATOM 26 CG LEU W 523 -18.834 -1.800 11.637 1.00 0.00 C
27
+ ATOM 27 N LEU W 523 -16.468 -2.063 8.788 1.00 0.00 N
28
+ ATOM 28 O LEU W 523 -14.911 -0.584 11.324 1.00 0.00 O
29
+ ATOM 29 H LEU W 523 -16.512 -1.433 8.204 1.00 0.00 H
30
+ ATOM 30 HA LEU W 523 -17.069 -0.726 10.127 1.00 0.00 H
31
+ ATOM 31 HB2 LEU W 523 -18.224 -3.045 10.118 1.00 0.00 H
32
+ ATOM 32 HB3 LEU W 523 -17.324 -3.173 11.385 1.00 0.00 H
33
+ ATOM 33 HG LEU W 523 -19.439 -2.457 12.016 1.00 0.00 H
34
+ ATOM 34 HD11 LEU W 523 -18.866 -0.575 13.292 1.00 0.00 H
35
+ ATOM 35 HD12 LEU W 523 -17.709 -1.655 13.355 1.00 0.00 H
36
+ ATOM 36 HD13 LEU W 523 -17.558 -0.386 12.419 1.00 0.00 H
37
+ ATOM 37 HD21 LEU W 523 -20.304 -0.400 11.289 1.00 0.00 H
38
+ ATOM 38 HD22 LEU W 523 -19.044 -0.206 10.350 1.00 0.00 H
39
+ ATOM 39 HD23 LEU W 523 -20.080 -1.367 10.056 1.00 0.00 H
40
+ ATOM 40 C GLY W 524 -12.522 -2.448 11.340 1.00 0.00 C
41
+ ATOM 41 CA GLY W 524 -13.742 -2.950 12.087 1.00 0.00 C
42
+ ATOM 42 N GLY W 524 -14.958 -2.834 11.304 1.00 0.00 N
43
+ ATOM 43 O GLY W 524 -11.817 -3.226 10.697 1.00 0.00 O
44
+ ATOM 44 H GLY W 524 -15.316 -3.583 11.078 1.00 0.00 H
45
+ ATOM 45 HA2 GLY W 524 -13.842 -2.448 12.911 1.00 0.00 H
46
+ ATOM 46 HA3 GLY W 524 -13.607 -3.878 12.334 1.00 0.00 H
47
+ ATOM 47 C SER W 525 -11.239 -0.713 9.238 1.00 0.00 C
48
+ ATOM 48 CA SER W 525 -11.129 -0.541 10.749 1.00 0.00 C
49
+ ATOM 49 CB SER W 525 -9.825 -1.165 11.251 1.00 0.00 C
50
+ ATOM 50 N SER W 525 -12.272 -1.145 11.424 1.00 0.00 N
51
+ ATOM 51 O SER W 525 -12.134 -1.400 8.745 1.00 0.00 O
52
+ ATOM 52 OG SER W 525 -10.050 -1.964 12.399 1.00 0.00 O
53
+ ATOM 53 H SER W 525 -12.755 -0.591 11.870 1.00 0.00 H
54
+ ATOM 54 HA SER W 525 -11.125 0.407 10.952 1.00 0.00 H
55
+ ATOM 55 HB2 SER W 525 -9.431 -1.706 10.549 1.00 0.00 H
56
+ ATOM 56 HB3 SER W 525 -9.188 -0.464 11.461 1.00 0.00 H
57
+ ATOM 57 HG SER W 525 -9.323 -2.297 12.656 1.00 0.00 H
58
+ ATOM 58 C GLY W 526 -11.216 0.873 6.415 1.00 0.00 C
59
+ ATOM 59 CA GLY W 526 -10.337 -0.181 7.059 1.00 0.00 C
60
+ ATOM 60 N GLY W 526 -10.324 -0.084 8.507 1.00 0.00 N
61
+ ATOM 61 O GLY W 526 -12.275 0.560 5.870 1.00 0.00 O
62
+ ATOM 62 H GLY W 526 -9.692 0.401 8.831 1.00 0.00 H
63
+ ATOM 63 HA2 GLY W 526 -9.431 -0.092 6.724 1.00 0.00 H
64
+ ATOM 64 HA3 GLY W 526 -10.650 -1.062 6.799 1.00 0.00 H
65
+ ATOM 65 C GLU W 527 -10.810 3.800 4.679 1.00 0.00 C
66
+ ATOM 66 CA GLU W 527 -11.531 3.231 5.897 1.00 0.00 C
67
+ ATOM 67 CB GLU W 527 -11.746 4.330 6.939 1.00 0.00 C
68
+ ATOM 68 CD GLU W 527 -13.475 5.562 8.308 1.00 0.00 C
69
+ ATOM 69 CG GLU W 527 -13.182 4.824 7.016 1.00 0.00 C
70
+ ATOM 70 N GLU W 527 -10.777 2.126 6.478 1.00 0.00 N
71
+ ATOM 71 O GLU W 527 -10.598 5.008 4.579 1.00 0.00 O
72
+ ATOM 72 OE1 GLU W 527 -12.564 6.245 8.820 1.00 0.00 O
73
+ ATOM 73 OE2 GLU W 527 -14.615 5.457 8.807 1.00 0.00 O
74
+ ATOM 74 H GLU W 527 -10.040 2.358 6.855 1.00 0.00 H
75
+ ATOM 75 HA GLU W 527 -12.394 2.892 5.611 1.00 0.00 H
76
+ ATOM 76 HB2 GLU W 527 -11.480 3.996 7.810 1.00 0.00 H
77
+ ATOM 77 HB3 GLU W 527 -11.165 5.079 6.733 1.00 0.00 H
78
+ ATOM 78 HG2 GLU W 527 -13.359 5.411 6.265 1.00 0.00 H
79
+ ATOM 79 HG3 GLU W 527 -13.785 4.069 6.935 1.00 0.00 H
80
+ ATOM 80 C GLU W 528 -9.863 2.270 1.457 1.00 0.00 C
81
+ ATOM 81 CA GLU W 528 -9.737 3.333 2.544 1.00 0.00 C
82
+ ATOM 82 CB GLU W 528 -8.261 3.596 2.845 1.00 0.00 C
83
+ ATOM 83 CD GLU W 528 -7.740 5.912 3.707 1.00 0.00 C
84
+ ATOM 84 CG GLU W 528 -7.808 5.004 2.495 1.00 0.00 C
85
+ ATOM 85 N GLU W 528 -10.435 2.920 3.756 1.00 0.00 N
86
+ ATOM 86 O GLU W 528 -10.447 1.209 1.678 1.00 0.00 O
87
+ ATOM 87 OE1 GLU W 528 -6.772 5.789 4.487 1.00 0.00 O
88
+ ATOM 88 OE2 GLU W 528 -8.654 6.745 3.876 1.00 0.00 O
89
+ ATOM 89 H GLU W 528 -10.577 2.074 3.814 1.00 0.00 H
90
+ ATOM 90 HA GLU W 528 -10.147 4.152 2.224 1.00 0.00 H
91
+ ATOM 91 HB2 GLU W 528 -8.098 3.437 3.788 1.00 0.00 H
92
+ ATOM 92 HB3 GLU W 528 -7.720 2.959 2.353 1.00 0.00 H
93
+ ATOM 93 HG2 GLU W 528 -6.934 4.964 2.075 1.00 0.00 H
94
+ ATOM 94 HG3 GLU W 528 -8.418 5.384 1.844 1.00 0.00 H
95
+ ATOM 95 C GLU W 529 -8.563 0.364 -0.522 1.00 0.00 C
96
+ ATOM 96 CA GLU W 529 -9.362 1.629 -0.835 1.00 0.00 C
97
+ ATOM 97 CB GLU W 529 -8.810 2.286 -2.099 1.00 0.00 C
98
+ ATOM 98 CD GLU W 529 -11.137 2.413 -3.071 1.00 0.00 C
99
+ ATOM 99 CG GLU W 529 -9.682 2.071 -3.325 1.00 0.00 C
100
+ ATOM 100 N GLU W 529 -9.312 2.562 0.284 1.00 0.00 N
101
+ ATOM 101 O GLU W 529 -7.342 0.416 -0.380 1.00 0.00 O
102
+ ATOM 102 OE1 GLU W 529 -11.431 3.598 -2.805 1.00 0.00 O
103
+ ATOM 103 OE2 GLU W 529 -11.984 1.497 -3.137 1.00 0.00 O
104
+ ATOM 104 H GLU W 529 -8.902 3.299 0.115 1.00 0.00 H
105
+ ATOM 105 HA GLU W 529 -10.289 1.384 -0.981 1.00 0.00 H
106
+ ATOM 106 HB2 GLU W 529 -8.712 3.238 -1.943 1.00 0.00 H
107
+ ATOM 107 HB3 GLU W 529 -7.923 1.935 -2.276 1.00 0.00 H
108
+ ATOM 108 HG2 GLU W 529 -9.348 2.615 -4.055 1.00 0.00 H
109
+ ATOM 109 HG3 GLU W 529 -9.615 1.145 -3.607 1.00 0.00 H
110
+ ATOM 110 C PRO W 530 -7.343 -2.304 -0.983 1.00 0.00 C
111
+ ATOM 111 CA PRO W 530 -8.573 -2.066 -0.110 1.00 0.00 C
112
+ ATOM 112 CB PRO W 530 -9.653 -3.103 -0.415 1.00 0.00 C
113
+ ATOM 113 CD PRO W 530 -10.697 -0.957 -0.560 1.00 0.00 C
114
+ ATOM 114 CG PRO W 530 -10.936 -2.390 -0.169 1.00 0.00 C
115
+ ATOM 115 N PRO W 530 -9.238 -0.794 -0.409 1.00 0.00 N
116
+ ATOM 116 O PRO W 530 -7.373 -2.076 -2.192 1.00 0.00 O
117
+ ATOM 117 HA PRO W 530 -8.241 -2.097 0.801 1.00 0.00 H
118
+ ATOM 118 HB2 PRO W 530 -9.593 -3.416 -1.331 1.00 0.00 H
119
+ ATOM 119 HB3 PRO W 530 -9.566 -3.882 0.157 1.00 0.00 H
120
+ ATOM 120 HG2 PRO W 530 -11.654 -2.778 -0.693 1.00 0.00 H
121
+ ATOM 121 HG3 PRO W 530 -11.197 -2.457 0.763 1.00 0.00 H
122
+ ATOM 122 HD2 PRO W 530 -10.983 -0.783 -1.470 1.00 0.00 H
123
+ ATOM 123 HD3 PRO W 530 -11.185 -0.345 0.012 1.00 0.00 H
124
+ ATOM 124 C LEU W 531 -5.231 -4.250 -2.017 1.00 0.00 C
125
+ ATOM 125 CA LEU W 531 -5.027 -3.063 -1.083 1.00 0.00 C
126
+ ATOM 126 CB LEU W 531 -3.893 -3.356 -0.097 1.00 0.00 C
127
+ ATOM 127 CD1 LEU W 531 -3.829 -3.346 2.410 1.00 0.00 C
128
+ ATOM 128 CD2 LEU W 531 -2.722 -1.508 1.125 1.00 0.00 C
129
+ ATOM 129 CG LEU W 531 -3.888 -2.482 1.160 1.00 0.00 C
130
+ ATOM 130 N LEU W 531 -6.265 -2.778 -0.362 1.00 0.00 N
131
+ ATOM 131 O LEU W 531 -5.910 -5.214 -1.666 1.00 0.00 O
132
+ ATOM 132 H LEU W 531 -6.230 -2.942 0.481 1.00 0.00 H
133
+ ATOM 133 HA LEU W 531 -4.785 -2.285 -1.610 1.00 0.00 H
134
+ ATOM 134 HB2 LEU W 531 -3.949 -4.286 0.172 1.00 0.00 H
135
+ ATOM 135 HB3 LEU W 531 -3.046 -3.244 -0.556 1.00 0.00 H
136
+ ATOM 136 HG LEU W 531 -4.712 -1.971 1.183 1.00 0.00 H
137
+ ATOM 137 HD11 LEU W 531 -3.827 -2.778 3.196 1.00 0.00 H
138
+ ATOM 138 HD12 LEU W 531 -4.603 -3.931 2.436 1.00 0.00 H
139
+ ATOM 139 HD13 LEU W 531 -3.020 -3.881 2.396 1.00 0.00 H
140
+ ATOM 140 HD21 LEU W 531 -2.732 -0.962 1.927 1.00 0.00 H
141
+ ATOM 141 HD22 LEU W 531 -1.888 -2.002 1.081 1.00 0.00 H
142
+ ATOM 142 HD23 LEU W 531 -2.800 -0.937 0.345 1.00 0.00 H
143
+ ATOM 143 C PRO W 532 -4.508 -6.651 -3.614 1.00 0.00 C
144
+ ATOM 144 CA PRO W 532 -4.797 -5.272 -4.208 1.00 0.00 C
145
+ ATOM 145 CB PRO W 532 -3.779 -4.902 -5.284 1.00 0.00 C
146
+ ATOM 146 CD PRO W 532 -3.835 -3.083 -3.744 1.00 0.00 C
147
+ ATOM 147 CG PRO W 532 -3.688 -3.420 -5.203 1.00 0.00 C
148
+ ATOM 148 N PRO W 532 -4.656 -4.195 -3.228 1.00 0.00 N
149
+ ATOM 149 O PRO W 532 -4.206 -6.777 -2.427 1.00 0.00 O
150
+ ATOM 150 HA PRO W 532 -5.704 -5.345 -4.545 1.00 0.00 H
151
+ ATOM 151 HB2 PRO W 532 -2.919 -5.320 -5.118 1.00 0.00 H
152
+ ATOM 152 HB3 PRO W 532 -4.070 -5.192 -6.163 1.00 0.00 H
153
+ ATOM 153 HG2 PRO W 532 -2.839 -3.103 -5.550 1.00 0.00 H
154
+ ATOM 154 HG3 PRO W 532 -4.385 -2.999 -5.730 1.00 0.00 H
155
+ ATOM 155 HD2 PRO W 532 -2.975 -3.034 -3.298 1.00 0.00 H
156
+ ATOM 156 HD3 PRO W 532 -4.270 -2.226 -3.615 1.00 0.00 H
157
+ ATOM 157 C PRO W 533 -3.182 -9.327 -3.157 1.00 0.00 C
158
+ ATOM 158 CA PRO W 533 -4.417 -9.093 -4.003 1.00 0.00 C
159
+ ATOM 159 CB PRO W 533 -4.277 -9.840 -5.319 1.00 0.00 C
160
+ ATOM 160 CD PRO W 533 -5.020 -7.636 -5.860 1.00 0.00 C
161
+ ATOM 161 CG PRO W 533 -5.128 -9.080 -6.272 1.00 0.00 C
162
+ ATOM 162 N PRO W 533 -4.629 -7.706 -4.435 1.00 0.00 N
163
+ ATOM 163 O PRO W 533 -3.206 -10.117 -2.214 1.00 0.00 O
164
+ ATOM 164 HA PRO W 533 -5.145 -9.378 -3.429 1.00 0.00 H
165
+ ATOM 165 HB2 PRO W 533 -3.353 -9.866 -5.614 1.00 0.00 H
166
+ ATOM 166 HB3 PRO W 533 -4.574 -10.760 -5.236 1.00 0.00 H
167
+ ATOM 167 HG2 PRO W 533 -4.824 -9.205 -7.185 1.00 0.00 H
168
+ ATOM 168 HG3 PRO W 533 -6.048 -9.384 -6.235 1.00 0.00 H
169
+ ATOM 169 HD2 PRO W 533 -4.358 -7.163 -6.388 1.00 0.00 H
170
+ ATOM 170 HD3 PRO W 533 -5.862 -7.168 -5.976 1.00 0.00 H
171
+ ATOM 171 C ARG W 534 -0.206 -7.531 -2.443 1.00 0.00 C
172
+ ATOM 172 CA ARG W 534 -0.850 -8.858 -2.795 1.00 0.00 C
173
+ ATOM 173 CB ARG W 534 0.113 -9.703 -3.630 1.00 0.00 C
174
+ ATOM 174 CD ARG W 534 0.125 -11.882 -2.380 1.00 0.00 C
175
+ ATOM 175 CG ARG W 534 -0.258 -11.176 -3.670 1.00 0.00 C
176
+ ATOM 176 CZ ARG W 534 2.055 -13.069 -1.426 1.00 0.00 C
177
+ ATOM 177 N ARG W 534 -2.102 -8.675 -3.513 1.00 0.00 N
178
+ ATOM 178 NE ARG W 534 1.451 -12.488 -2.457 1.00 0.00 N
179
+ ATOM 179 NH1 ARG W 534 1.455 -13.113 -0.243 1.00 0.00 N
180
+ ATOM 180 NH2 ARG W 534 3.259 -13.604 -1.574 1.00 0.00 N
181
+ ATOM 181 O ARG W 534 0.887 -7.217 -2.913 1.00 0.00 O
182
+ ATOM 182 H ARG W 534 -2.064 -8.119 -4.168 1.00 0.00 H
183
+ ATOM 183 HA ARG W 534 -1.049 -9.319 -1.965 1.00 0.00 H
184
+ ATOM 184 HB2 ARG W 534 0.135 -9.357 -4.536 1.00 0.00 H
185
+ ATOM 185 HB3 ARG W 534 1.009 -9.611 -3.270 1.00 0.00 H
186
+ ATOM 186 HG2 ARG W 534 -1.212 -11.267 -3.819 1.00 0.00 H
187
+ ATOM 187 HG3 ARG W 534 0.188 -11.603 -4.418 1.00 0.00 H
188
+ ATOM 188 HD2 ARG W 534 0.103 -11.247 -1.647 1.00 0.00 H
189
+ ATOM 189 HD3 ARG W 534 -0.531 -12.568 -2.181 1.00 0.00 H
190
+ ATOM 190 HE ARG W 534 1.864 -12.468 -3.211 1.00 0.00 H
191
+ ATOM 191 HH11 ARG W 534 0.675 -12.765 -0.143 1.00 0.00 H
192
+ ATOM 192 HH12 ARG W 534 1.846 -13.489 0.424 1.00 0.00 H
193
+ ATOM 193 HH21 ARG W 534 3.651 -13.576 -2.339 1.00 0.00 H
194
+ ATOM 194 HH22 ARG W 534 3.648 -13.979 -0.905 1.00 0.00 H
195
+ ATOM 195 C TRP W 535 -0.802 -5.049 0.186 1.00 0.00 C
196
+ ATOM 196 CA TRP W 535 -0.350 -5.461 -1.210 1.00 0.00 C
197
+ ATOM 197 CB TRP W 535 -0.743 -4.392 -2.221 1.00 0.00 C
198
+ ATOM 198 CD1 TRP W 535 -0.355 -5.419 -4.528 1.00 0.00 C
199
+ ATOM 199 CD2 TRP W 535 1.106 -3.817 -3.976 1.00 0.00 C
200
+ ATOM 200 CE2 TRP W 535 1.422 -4.290 -5.264 1.00 0.00 C
201
+ ATOM 201 CE3 TRP W 535 1.893 -2.804 -3.417 1.00 0.00 C
202
+ ATOM 202 CG TRP W 535 -0.040 -4.546 -3.529 1.00 0.00 C
203
+ ATOM 203 CH2 TRP W 535 3.243 -2.796 -5.429 1.00 0.00 C
204
+ ATOM 204 CZ2 TRP W 535 2.489 -3.785 -5.999 1.00 0.00 C
205
+ ATOM 205 CZ3 TRP W 535 2.953 -2.305 -4.150 1.00 0.00 C
206
+ ATOM 206 N TRP W 535 -0.884 -6.754 -1.613 1.00 0.00 N
207
+ ATOM 207 NE1 TRP W 535 0.514 -5.268 -5.579 1.00 0.00 N
208
+ ATOM 208 O TRP W 535 -1.774 -5.576 0.726 1.00 0.00 O
209
+ ATOM 209 H TRP W 535 -1.649 -6.953 -1.273 1.00 0.00 H
210
+ ATOM 210 HA TRP W 535 0.616 -5.549 -1.184 1.00 0.00 H
211
+ ATOM 211 HB2 TRP W 535 -1.701 -4.428 -2.367 1.00 0.00 H
212
+ ATOM 212 HB3 TRP W 535 -0.545 -3.517 -1.853 1.00 0.00 H
213
+ ATOM 213 HD1 TRP W 535 -1.057 -6.028 -4.501 1.00 0.00 H
214
+ ATOM 214 HE1 TRP W 535 0.493 -5.713 -6.314 1.00 0.00 H
215
+ ATOM 215 HE3 TRP W 535 1.706 -2.473 -2.568 1.00 0.00 H
216
+ ATOM 216 HZ2 TRP W 535 2.683 -4.109 -6.849 1.00 0.00 H
217
+ ATOM 217 HZ3 TRP W 535 3.483 -1.632 -3.788 1.00 0.00 H
218
+ ATOM 218 HH2 TRP W 535 3.963 -2.443 -5.900 1.00 0.00 H
219
+ ATOM 219 C SER W 536 -0.046 -2.077 2.139 1.00 0.00 C
220
+ ATOM 220 CA SER W 536 -0.369 -3.567 2.081 1.00 0.00 C
221
+ ATOM 221 CB SER W 536 0.442 -4.323 3.136 1.00 0.00 C
222
+ ATOM 222 N SER W 536 -0.077 -4.089 0.752 1.00 0.00 N
223
+ ATOM 223 O SER W 536 0.249 -1.461 1.115 1.00 0.00 O
224
+ ATOM 224 OG SER W 536 -0.273 -5.447 3.622 1.00 0.00 O
225
+ ATOM 225 H SER W 536 0.602 -3.721 0.373 1.00 0.00 H
226
+ ATOM 226 HA SER W 536 -1.313 -3.692 2.266 1.00 0.00 H
227
+ ATOM 227 HB2 SER W 536 1.285 -4.613 2.753 1.00 0.00 H
228
+ ATOM 228 HB3 SER W 536 0.654 -3.728 3.872 1.00 0.00 H
229
+ ATOM 229 HG SER W 536 -0.796 -5.725 3.027 1.00 0.00 H
230
+ ATOM 230 C MET W 537 0.743 0.218 4.884 1.00 0.00 C
231
+ ATOM 231 CA MET W 537 0.188 -0.078 3.496 1.00 0.00 C
232
+ ATOM 232 CB MET W 537 -1.070 0.756 3.247 1.00 0.00 C
233
+ ATOM 233 CE MET W 537 -2.764 3.446 1.103 1.00 0.00 C
234
+ ATOM 234 CG MET W 537 -1.173 1.292 1.828 1.00 0.00 C
235
+ ATOM 235 N MET W 537 -0.102 -1.498 3.332 1.00 0.00 N
236
+ ATOM 236 O MET W 537 0.113 -0.088 5.897 1.00 0.00 O
237
+ ATOM 237 SD MET W 537 -1.135 3.094 1.761 1.00 0.00 S
238
+ ATOM 238 H MET W 537 -0.306 -1.909 4.060 1.00 0.00 H
239
+ ATOM 239 HA MET W 537 0.863 0.163 2.843 1.00 0.00 H
240
+ ATOM 240 HB2 MET W 537 -1.851 0.214 3.438 1.00 0.00 H
241
+ ATOM 241 HB3 MET W 537 -1.083 1.501 3.868 1.00 0.00 H
242
+ ATOM 242 HG2 MET W 537 -0.442 0.937 1.298 1.00 0.00 H
243
+ ATOM 243 HG3 MET W 537 -1.996 0.974 1.425 1.00 0.00 H
244
+ ATOM 244 HE1 MET W 537 -2.877 4.405 1.015 1.00 0.00 H
245
+ ATOM 245 HE2 MET W 537 -2.859 3.028 0.233 1.00 0.00 H
246
+ ATOM 246 HE3 MET W 537 -3.439 3.095 1.705 1.00 0.00 H
247
+ ATOM 247 C GLN W 538 3.330 2.487 6.047 1.00 0.00 C
248
+ ATOM 248 CA GLN W 538 2.573 1.171 6.179 1.00 0.00 C
249
+ ATOM 249 CB GLN W 538 3.532 0.061 6.612 1.00 0.00 C
250
+ ATOM 250 CD GLN W 538 3.907 -1.175 8.785 1.00 0.00 C
251
+ ATOM 251 CG GLN W 538 2.944 -0.880 7.650 1.00 0.00 C
252
+ ATOM 252 N GLN W 538 1.926 0.822 4.920 1.00 0.00 N
253
+ ATOM 253 NE2 GLN W 538 5.024 -1.817 8.462 1.00 0.00 N
254
+ ATOM 254 O GLN W 538 3.956 2.753 5.022 1.00 0.00 O
255
+ ATOM 255 OE1 GLN W 538 3.649 -0.830 9.938 1.00 0.00 O
256
+ ATOM 256 H GLN W 538 2.374 1.040 4.219 1.00 0.00 H
257
+ ATOM 257 HA GLN W 538 1.884 1.274 6.854 1.00 0.00 H
258
+ ATOM 258 HB2 GLN W 538 3.793 -0.453 5.832 1.00 0.00 H
259
+ ATOM 259 HB3 GLN W 538 4.339 0.463 6.971 1.00 0.00 H
260
+ ATOM 260 HG2 GLN W 538 2.133 -0.490 8.012 1.00 0.00 H
261
+ ATOM 261 HG3 GLN W 538 2.691 -1.712 7.220 1.00 0.00 H
262
+ ATOM 262 HE21 GLN W 538 5.170 -2.042 7.645 1.00 0.00 H
263
+ ATOM 263 HE22 GLN W 538 5.602 -2.008 9.070 1.00 0.00 H
264
+ ATOM 264 C VAL W 539 5.436 4.429 7.377 1.00 0.00 C
265
+ ATOM 265 CA VAL W 539 3.948 4.594 7.086 1.00 0.00 C
266
+ ATOM 266 CB VAL W 539 3.337 5.556 8.122 1.00 0.00 C
267
+ ATOM 267 CG1 VAL W 539 3.398 4.948 9.515 1.00 0.00 C
268
+ ATOM 268 CG2 VAL W 539 4.047 6.901 8.087 1.00 0.00 C
269
+ ATOM 269 N VAL W 539 3.267 3.307 7.089 1.00 0.00 N
270
+ ATOM 270 O VAL W 539 5.823 3.676 8.271 1.00 0.00 O
271
+ ATOM 271 H VAL W 539 2.833 3.135 7.811 1.00 0.00 H
272
+ ATOM 272 HA VAL W 539 3.834 4.970 6.199 1.00 0.00 H
273
+ ATOM 273 HB VAL W 539 2.405 5.701 7.895 1.00 0.00 H
274
+ ATOM 274 HG11 VAL W 539 3.010 5.565 10.155 1.00 0.00 H
275
+ ATOM 275 HG12 VAL W 539 2.901 4.115 9.527 1.00 0.00 H
276
+ ATOM 276 HG13 VAL W 539 4.322 4.775 9.753 1.00 0.00 H
277
+ ATOM 277 HG21 VAL W 539 3.650 7.494 8.744 1.00 0.00 H
278
+ ATOM 278 HG22 VAL W 539 4.987 6.776 8.290 1.00 0.00 H
279
+ ATOM 279 HG23 VAL W 539 3.957 7.292 7.204 1.00 0.00 H
280
+ ATOM 280 C ALA W 540 8.224 6.283 7.561 1.00 0.00 C
281
+ ATOM 281 CA ALA W 540 7.710 5.068 6.794 1.00 0.00 C
282
+ ATOM 282 CB ALA W 540 8.401 4.958 5.443 1.00 0.00 C
283
+ ATOM 283 N ALA W 540 6.264 5.136 6.617 1.00 0.00 N
284
+ ATOM 284 O ALA W 540 7.496 7.256 7.757 1.00 0.00 O
285
+ ATOM 285 H ALA W 540 6.007 5.665 5.989 1.00 0.00 H
286
+ ATOM 286 HA ALA W 540 7.916 4.276 7.315 1.00 0.00 H
287
+ ATOM 287 HB1 ALA W 540 9.361 4.914 5.573 1.00 0.00 H
288
+ ATOM 288 HB2 ALA W 540 8.099 4.156 4.989 1.00 0.00 H
289
+ ATOM 289 HB3 ALA W 540 8.184 5.735 4.904 1.00 0.00 H
290
+ ATOM 290 C PRO W 541 10.333 8.577 7.872 1.00 0.00 C
291
+ ATOM 291 CA PRO W 541 10.100 7.353 8.750 1.00 0.00 C
292
+ ATOM 292 CB PRO W 541 11.433 6.774 9.227 1.00 0.00 C
293
+ ATOM 293 CD PRO W 541 10.433 5.127 7.811 1.00 0.00 C
294
+ ATOM 294 CG PRO W 541 11.754 5.702 8.244 1.00 0.00 C
295
+ ATOM 295 N PRO W 541 9.493 6.246 8.004 1.00 0.00 N
296
+ ATOM 296 O PRO W 541 10.408 9.703 8.364 1.00 0.00 O
297
+ ATOM 297 HA PRO W 541 9.530 7.662 9.472 1.00 0.00 H
298
+ ATOM 298 HB2 PRO W 541 12.125 7.453 9.246 1.00 0.00 H
299
+ ATOM 299 HB3 PRO W 541 11.361 6.417 10.126 1.00 0.00 H
300
+ ATOM 300 HG2 PRO W 541 12.242 6.061 7.486 1.00 0.00 H
301
+ ATOM 301 HG3 PRO W 541 12.315 5.020 8.645 1.00 0.00 H
302
+ ATOM 302 HD2 PRO W 541 10.456 4.835 6.886 1.00 0.00 H
303
+ ATOM 303 HD3 PRO W 541 10.186 4.356 8.346 1.00 0.00 H
304
+ ATOM 304 C ASN W 542 9.624 10.529 5.798 1.00 0.00 C
305
+ ATOM 305 CA ASN W 542 10.665 9.429 5.617 1.00 0.00 C
306
+ ATOM 306 CB ASN W 542 10.618 8.892 4.185 1.00 0.00 C
307
+ ATOM 307 CG ASN W 542 10.740 9.990 3.148 1.00 0.00 C
308
+ ATOM 308 N ASN W 542 10.443 8.348 6.568 1.00 0.00 N
309
+ ATOM 309 ND2 ASN W 542 10.511 9.639 1.887 1.00 0.00 N
310
+ ATOM 310 O ASN W 542 9.905 11.707 5.577 1.00 0.00 O
311
+ ATOM 311 OD1 ASN W 542 11.036 11.139 3.474 1.00 0.00 O
312
+ ATOM 312 H ASN W 542 10.391 7.567 6.212 1.00 0.00 H
313
+ ATOM 313 HA ASN W 542 11.543 9.806 5.784 1.00 0.00 H
314
+ ATOM 314 HB2 ASN W 542 11.336 8.252 4.059 1.00 0.00 H
315
+ ATOM 315 HB3 ASN W 542 9.785 8.414 4.049 1.00 0.00 H
316
+ ATOM 316 HD21 ASN W 542 10.567 10.225 1.260 1.00 0.00 H
317
+ ATOM 317 HD22 ASN W 542 10.306 8.825 1.697 1.00 0.00 H
318
+ ATOM 318 C GLY W 543 6.114 10.799 5.589 1.00 0.00 C
319
+ ATOM 319 CA GLY W 543 7.355 11.099 6.412 1.00 0.00 C
320
+ ATOM 320 N GLY W 543 8.421 10.136 6.204 1.00 0.00 N
321
+ ATOM 321 O GLY W 543 5.078 11.440 5.769 1.00 0.00 O
322
+ ATOM 322 H GLY W 543 8.205 9.319 6.363 1.00 0.00 H
323
+ ATOM 323 HA2 GLY W 543 7.118 11.113 7.352 1.00 0.00 H
324
+ ATOM 324 HA3 GLY W 543 7.679 11.986 6.188 1.00 0.00 H
325
+ ATOM 325 C ARG W 544 4.835 7.957 3.865 1.00 0.00 C
326
+ ATOM 326 CA ARG W 544 5.081 9.462 3.838 1.00 0.00 C
327
+ ATOM 327 CB ARG W 544 5.317 9.924 2.400 1.00 0.00 C
328
+ ATOM 328 CD ARG W 544 7.510 10.116 1.197 1.00 0.00 C
329
+ ATOM 329 CG ARG W 544 6.434 9.171 1.700 1.00 0.00 C
330
+ ATOM 330 CZ ARG W 544 8.385 12.317 1.872 1.00 0.00 C
331
+ ATOM 331 N ARG W 544 6.212 9.828 4.683 1.00 0.00 N
332
+ ATOM 332 NE ARG W 544 7.839 11.144 2.181 1.00 0.00 N
333
+ ATOM 333 NH1 ARG W 544 8.678 12.604 0.611 1.00 0.00 N
334
+ ATOM 334 NH2 ARG W 544 8.640 13.203 2.825 1.00 0.00 N
335
+ ATOM 335 O ARG W 544 5.726 7.175 4.196 1.00 0.00 O
336
+ ATOM 336 H ARG W 544 6.926 9.369 4.543 1.00 0.00 H
337
+ ATOM 337 HA ARG W 544 4.294 9.906 4.190 1.00 0.00 H
338
+ ATOM 338 HB2 ARG W 544 4.497 9.816 1.894 1.00 0.00 H
339
+ ATOM 339 HB3 ARG W 544 5.526 10.871 2.402 1.00 0.00 H
340
+ ATOM 340 HG2 ARG W 544 6.826 8.529 2.312 1.00 0.00 H
341
+ ATOM 341 HG3 ARG W 544 6.070 8.668 0.955 1.00 0.00 H
342
+ ATOM 342 HD2 ARG W 544 8.308 9.610 0.980 1.00 0.00 H
343
+ ATOM 343 HD3 ARG W 544 7.211 10.539 0.377 1.00 0.00 H
344
+ ATOM 344 HE ARG W 544 7.670 10.981 3.008 1.00 0.00 H
345
+ ATOM 345 HH11 ARG W 544 8.515 12.031 -0.009 1.00 0.00 H
346
+ ATOM 346 HH12 ARG W 544 9.031 13.363 0.414 1.00 0.00 H
347
+ ATOM 347 HH21 ARG W 544 8.452 13.020 3.644 1.00 0.00 H
348
+ ATOM 348 HH22 ARG W 544 8.993 13.961 2.624 1.00 0.00 H
349
+ ATOM 349 C THR W 545 3.557 5.521 2.152 1.00 0.00 C
350
+ ATOM 350 CA THR W 545 3.235 6.158 3.494 1.00 0.00 C
351
+ ATOM 351 CB THR W 545 1.737 5.968 3.781 1.00 0.00 C
352
+ ATOM 352 CG2 THR W 545 1.467 5.968 5.277 1.00 0.00 C
353
+ ATOM 353 N THR W 545 3.616 7.565 3.515 1.00 0.00 N
354
+ ATOM 354 O THR W 545 3.493 6.175 1.111 1.00 0.00 O
355
+ ATOM 355 OG1 THR W 545 0.980 7.010 3.154 1.00 0.00 O
356
+ ATOM 356 H THR W 545 2.988 8.105 3.284 1.00 0.00 H
357
+ ATOM 357 HA THR W 545 3.749 5.725 4.193 1.00 0.00 H
358
+ ATOM 358 HB THR W 545 1.466 5.110 3.418 1.00 0.00 H
359
+ ATOM 359 HG1 THR W 545 1.360 7.243 2.442 1.00 0.00 H
360
+ ATOM 360 HG21 THR W 545 0.518 5.847 5.435 1.00 0.00 H
361
+ ATOM 361 HG22 THR W 545 1.959 5.244 5.695 1.00 0.00 H
362
+ ATOM 362 HG23 THR W 545 1.752 6.813 5.658 1.00 0.00 H
363
+ ATOM 363 C PHE W 546 3.301 2.329 0.762 1.00 0.00 C
364
+ ATOM 364 CA PHE W 546 4.237 3.518 0.965 1.00 0.00 C
365
+ ATOM 365 CB PHE W 546 5.689 3.044 1.018 1.00 0.00 C
366
+ ATOM 366 CD1 PHE W 546 6.254 3.165 3.461 1.00 0.00 C
367
+ ATOM 367 CD2 PHE W 546 6.227 1.026 2.406 1.00 0.00 C
368
+ ATOM 368 CE1 PHE W 546 6.600 2.572 4.660 1.00 0.00 C
369
+ ATOM 369 CE2 PHE W 546 6.573 0.428 3.602 1.00 0.00 C
370
+ ATOM 370 CG PHE W 546 6.063 2.399 2.322 1.00 0.00 C
371
+ ATOM 371 CZ PHE W 546 6.760 1.202 4.730 1.00 0.00 C
372
+ ATOM 372 N PHE W 546 3.905 4.242 2.181 1.00 0.00 N
373
+ ATOM 373 O PHE W 546 2.351 2.138 1.522 1.00 0.00 O
374
+ ATOM 374 H PHE W 546 3.955 3.773 2.900 1.00 0.00 H
375
+ ATOM 375 HA PHE W 546 4.126 4.120 0.213 1.00 0.00 H
376
+ ATOM 376 HB2 PHE W 546 5.842 2.412 0.298 1.00 0.00 H
377
+ ATOM 377 HB3 PHE W 546 6.275 3.801 0.860 1.00 0.00 H
378
+ ATOM 378 HD1 PHE W 546 6.148 4.088 3.418 1.00 0.00 H
379
+ ATOM 379 HD2 PHE W 546 6.103 0.501 1.649 1.00 0.00 H
380
+ ATOM 380 HE1 PHE W 546 6.725 3.095 5.419 1.00 0.00 H
381
+ ATOM 381 HE2 PHE W 546 6.680 -0.495 3.647 1.00 0.00 H
382
+ ATOM 382 HZ PHE W 546 6.993 0.801 5.536 1.00 0.00 H
383
+ ATOM 383 C PHE W 547 3.625 -0.886 -0.653 1.00 0.00 C
384
+ ATOM 384 CA PHE W 547 2.762 0.362 -0.570 1.00 0.00 C
385
+ ATOM 385 CB PHE W 547 2.005 0.557 -1.885 1.00 0.00 C
386
+ ATOM 386 CD1 PHE W 547 0.213 2.279 -1.535 1.00 0.00 C
387
+ ATOM 387 CD2 PHE W 547 -0.430 -0.013 -1.691 1.00 0.00 C
388
+ ATOM 388 CE1 PHE W 547 -1.110 2.641 -1.365 1.00 0.00 C
389
+ ATOM 389 CE2 PHE W 547 -1.754 0.344 -1.521 1.00 0.00 C
390
+ ATOM 390 CG PHE W 547 0.567 0.949 -1.700 1.00 0.00 C
391
+ ATOM 391 CZ PHE W 547 -2.095 1.673 -1.358 1.00 0.00 C
392
+ ATOM 392 N PHE W 547 3.576 1.534 -0.266 1.00 0.00 N
393
+ ATOM 393 O PHE W 547 4.492 -0.998 -1.519 1.00 0.00 O
394
+ ATOM 394 H PHE W 547 4.235 1.657 -0.804 1.00 0.00 H
395
+ ATOM 395 HA PHE W 547 2.120 0.251 0.148 1.00 0.00 H
396
+ ATOM 396 HB2 PHE W 547 2.453 1.239 -2.409 1.00 0.00 H
397
+ ATOM 397 HB3 PHE W 547 2.045 -0.266 -2.397 1.00 0.00 H
398
+ ATOM 398 HD1 PHE W 547 0.873 2.935 -1.539 1.00 0.00 H
399
+ ATOM 399 HD2 PHE W 547 -0.206 -0.909 -1.801 1.00 0.00 H
400
+ ATOM 400 HE1 PHE W 547 -1.337 3.536 -1.255 1.00 0.00 H
401
+ ATOM 401 HE2 PHE W 547 -2.415 -0.310 -1.516 1.00 0.00 H
402
+ ATOM 402 HZ PHE W 547 -2.986 1.915 -1.244 1.00 0.00 H
403
+ ATOM 403 C ILE W 548 3.608 -4.046 -0.759 1.00 0.00 C
404
+ ATOM 404 CA ILE W 548 4.129 -3.067 0.288 1.00 0.00 C
405
+ ATOM 405 CB ILE W 548 4.056 -3.712 1.689 1.00 0.00 C
406
+ ATOM 406 CD1 ILE W 548 3.878 -2.473 3.905 1.00 0.00 C
407
+ ATOM 407 CG1 ILE W 548 4.748 -2.816 2.716 1.00 0.00 C
408
+ ATOM 408 CG2 ILE W 548 4.685 -5.101 1.694 1.00 0.00 C
409
+ ATOM 409 N ILE W 548 3.379 -1.822 0.252 1.00 0.00 N
410
+ ATOM 410 O ILE W 548 2.401 -4.216 -0.917 1.00 0.00 O
411
+ ATOM 411 H ILE W 548 2.775 -1.754 0.860 1.00 0.00 H
412
+ ATOM 412 HA ILE W 548 5.055 -2.859 0.087 1.00 0.00 H
413
+ ATOM 413 HB ILE W 548 3.120 -3.807 1.927 1.00 0.00 H
414
+ ATOM 414 HG12 ILE W 548 5.552 -3.258 3.030 1.00 0.00 H
415
+ ATOM 415 HG13 ILE W 548 5.027 -1.995 2.282 1.00 0.00 H
416
+ ATOM 416 HG21 ILE W 548 4.625 -5.481 2.585 1.00 0.00 H
417
+ ATOM 417 HG22 ILE W 548 4.214 -5.672 1.067 1.00 0.00 H
418
+ ATOM 418 HG23 ILE W 548 5.617 -5.035 1.433 1.00 0.00 H
419
+ ATOM 419 HD11 ILE W 548 4.374 -1.905 4.516 1.00 0.00 H
420
+ ATOM 420 HD12 ILE W 548 3.084 -2.005 3.601 1.00 0.00 H
421
+ ATOM 421 HD13 ILE W 548 3.617 -3.288 4.361 1.00 0.00 H
422
+ ATOM 422 C ASP W 549 4.366 -7.078 -1.988 1.00 0.00 C
423
+ ATOM 423 CA ASP W 549 4.171 -5.652 -2.497 1.00 0.00 C
424
+ ATOM 424 CB ASP W 549 5.013 -5.424 -3.755 1.00 0.00 C
425
+ ATOM 425 CG ASP W 549 4.773 -6.484 -4.814 1.00 0.00 C
426
+ ATOM 426 N ASP W 549 4.529 -4.685 -1.467 1.00 0.00 N
427
+ ATOM 427 O ASP W 549 5.492 -7.516 -1.756 1.00 0.00 O
428
+ ATOM 428 OD1 ASP W 549 3.679 -6.485 -5.415 1.00 0.00 O
429
+ ATOM 429 OD2 ASP W 549 5.681 -7.311 -5.041 1.00 0.00 O
430
+ ATOM 430 H ASP W 549 5.375 -4.572 -1.366 1.00 0.00 H
431
+ ATOM 431 HA ASP W 549 3.235 -5.529 -2.718 1.00 0.00 H
432
+ ATOM 432 HB2 ASP W 549 4.808 -4.550 -4.124 1.00 0.00 H
433
+ ATOM 433 HB3 ASP W 549 5.953 -5.418 -3.515 1.00 0.00 H
434
+ ATOM 434 C HIS W 550 3.636 -10.139 -2.463 1.00 0.00 C
435
+ ATOM 435 CA HIS W 550 3.311 -9.170 -1.330 1.00 0.00 C
436
+ ATOM 436 CB HIS W 550 1.980 -9.552 -0.680 1.00 0.00 C
437
+ ATOM 437 CD2 HIS W 550 1.578 -7.627 0.991 1.00 0.00 C
438
+ ATOM 438 CE1 HIS W 550 1.541 -8.839 2.801 1.00 0.00 C
439
+ ATOM 439 CG HIS W 550 1.769 -8.929 0.664 1.00 0.00 C
440
+ ATOM 440 N HIS W 550 3.261 -7.795 -1.814 1.00 0.00 N
441
+ ATOM 441 ND1 HIS W 550 1.745 -9.688 1.809 1.00 0.00 N
442
+ ATOM 442 NE2 HIS W 550 1.433 -7.579 2.354 1.00 0.00 N
443
+ ATOM 443 O HIS W 550 4.139 -11.238 -2.227 1.00 0.00 O
444
+ ATOM 444 H HIS W 550 2.468 -7.502 -1.971 1.00 0.00 H
445
+ ATOM 445 HA HIS W 550 4.017 -9.229 -0.667 1.00 0.00 H
446
+ ATOM 446 HB2 HIS W 550 1.254 -9.289 -1.268 1.00 0.00 H
447
+ ATOM 447 HB3 HIS W 550 1.937 -10.517 -0.591 1.00 0.00 H
448
+ ATOM 448 HD1 HIS W 550 1.843 -10.540 1.868 1.00 0.00 H
449
+ ATOM 449 HD2 HIS W 550 1.551 -6.906 0.404 1.00 0.00 H
450
+ ATOM 450 HE1 HIS W 550 1.480 -9.084 3.696 1.00 0.00 H
451
+ ATOM 451 HE2 HIS W 550 1.299 -6.876 2.831 1.00 0.00 H
452
+ ATOM 452 C ALA W 551 5.095 -10.891 -4.973 1.00 0.00 C
453
+ ATOM 453 CA ALA W 551 3.611 -10.561 -4.860 1.00 0.00 C
454
+ ATOM 454 CB ALA W 551 3.124 -9.869 -6.124 1.00 0.00 C
455
+ ATOM 455 N ALA W 551 3.347 -9.727 -3.694 1.00 0.00 N
456
+ ATOM 456 O ALA W 551 5.468 -12.008 -5.332 1.00 0.00 O
457
+ ATOM 457 H ALA W 551 2.996 -8.963 -3.875 1.00 0.00 H
458
+ ATOM 458 HA ALA W 551 3.126 -11.394 -4.752 1.00 0.00 H
459
+ ATOM 459 HB1 ALA W 551 3.305 -10.433 -6.892 1.00 0.00 H
460
+ ATOM 460 HB2 ALA W 551 2.169 -9.709 -6.058 1.00 0.00 H
461
+ ATOM 461 HB3 ALA W 551 3.587 -9.023 -6.229 1.00 0.00 H
462
+ ATOM 462 C SER W 552 8.064 -9.554 -3.472 1.00 0.00 C
463
+ ATOM 463 CA SER W 552 7.383 -10.096 -4.727 1.00 0.00 C
464
+ ATOM 464 CB SER W 552 7.949 -9.401 -5.966 1.00 0.00 C
465
+ ATOM 465 N SER W 552 5.938 -9.911 -4.663 1.00 0.00 N
466
+ ATOM 466 O SER W 552 9.267 -9.291 -3.475 1.00 0.00 O
467
+ ATOM 467 OG SER W 552 8.600 -10.327 -6.819 1.00 0.00 O
468
+ ATOM 468 H SER W 552 5.691 -9.127 -4.412 1.00 0.00 H
469
+ ATOM 469 HA SER W 552 7.561 -11.048 -4.783 1.00 0.00 H
470
+ ATOM 470 HB2 SER W 552 7.232 -8.961 -6.449 1.00 0.00 H
471
+ ATOM 471 HB3 SER W 552 8.575 -8.711 -5.696 1.00 0.00 H
472
+ ATOM 472 HG SER W 552 8.901 -9.925 -7.492 1.00 0.00 H
473
+ ATOM 473 C ARG W 553 8.677 -7.635 -1.365 1.00 0.00 C
474
+ ATOM 474 CA ARG W 553 7.826 -8.883 -1.140 1.00 0.00 C
475
+ ATOM 475 CB ARG W 553 8.657 -9.962 -0.444 1.00 0.00 C
476
+ ATOM 476 CD ARG W 553 8.975 -12.269 -1.392 1.00 0.00 C
477
+ ATOM 477 CG ARG W 553 8.071 -11.359 -0.576 1.00 0.00 C
478
+ ATOM 478 CZ ARG W 553 8.870 -13.570 -3.476 1.00 0.00 C
479
+ ATOM 479 N ARG W 553 7.292 -9.391 -2.400 1.00 0.00 N
480
+ ATOM 480 NE ARG W 553 8.266 -12.890 -2.507 1.00 0.00 N
481
+ ATOM 481 NH1 ARG W 553 10.189 -13.707 -3.468 1.00 0.00 N
482
+ ATOM 482 NH2 ARG W 553 8.158 -14.114 -4.453 1.00 0.00 N
483
+ ATOM 483 O ARG W 553 9.906 -7.695 -1.329 1.00 0.00 O
484
+ ATOM 484 H ARG W 553 6.451 -9.570 -2.383 1.00 0.00 H
485
+ ATOM 485 HA ARG W 553 7.076 -8.642 -0.573 1.00 0.00 H
486
+ ATOM 486 HB2 ARG W 553 9.553 -9.959 -0.815 1.00 0.00 H
487
+ ATOM 487 HB3 ARG W 553 8.738 -9.741 0.497 1.00 0.00 H
488
+ ATOM 488 HG2 ARG W 553 7.938 -11.740 0.306 1.00 0.00 H
489
+ ATOM 489 HG3 ARG W 553 7.198 -11.307 -0.997 1.00 0.00 H
490
+ ATOM 490 HD2 ARG W 553 9.725 -11.757 -1.732 1.00 0.00 H
491
+ ATOM 491 HD3 ARG W 553 9.340 -12.960 -0.817 1.00 0.00 H
492
+ ATOM 492 HE ARG W 553 7.410 -12.811 -2.538 1.00 0.00 H
493
+ ATOM 493 HH11 ARG W 553 10.654 -13.356 -2.836 1.00 0.00 H
494
+ ATOM 494 HH12 ARG W 553 10.579 -14.147 -4.095 1.00 0.00 H
495
+ ATOM 495 HH21 ARG W 553 7.302 -14.027 -4.461 1.00 0.00 H
496
+ ATOM 496 HH22 ARG W 553 8.552 -14.553 -5.079 1.00 0.00 H
497
+ ATOM 497 C ARG W 554 7.873 -4.063 -1.344 1.00 0.00 C
498
+ ATOM 498 CA ARG W 554 8.711 -5.244 -1.825 1.00 0.00 C
499
+ ATOM 499 CB ARG W 554 9.037 -5.080 -3.310 1.00 0.00 C
500
+ ATOM 500 CD ARG W 554 9.855 -6.139 -5.437 1.00 0.00 C
501
+ ATOM 501 CG ARG W 554 9.614 -6.333 -3.949 1.00 0.00 C
502
+ ATOM 502 CZ ARG W 554 11.397 -7.035 -7.131 1.00 0.00 C
503
+ ATOM 503 N ARG W 554 8.015 -6.505 -1.596 1.00 0.00 N
504
+ ATOM 504 NE ARG W 554 10.731 -7.169 -5.988 1.00 0.00 N
505
+ ATOM 505 NH1 ARG W 554 11.289 -5.917 -7.836 1.00 0.00 N
506
+ ATOM 506 NH2 ARG W 554 12.173 -8.017 -7.569 1.00 0.00 N
507
+ ATOM 507 O ARG W 554 6.928 -4.233 -0.574 1.00 0.00 O
508
+ ATOM 508 H ARG W 554 7.157 -6.448 -1.624 1.00 0.00 H
509
+ ATOM 509 HA ARG W 554 9.538 -5.261 -1.318 1.00 0.00 H
510
+ ATOM 510 HB2 ARG W 554 8.230 -4.827 -3.784 1.00 0.00 H
511
+ ATOM 511 HB3 ARG W 554 9.669 -4.352 -3.416 1.00 0.00 H
512
+ ATOM 512 HG2 ARG W 554 10.449 -6.565 -3.512 1.00 0.00 H
513
+ ATOM 513 HG3 ARG W 554 9.006 -7.076 -3.813 1.00 0.00 H
514
+ ATOM 514 HD2 ARG W 554 9.006 -6.153 -5.906 1.00 0.00 H
515
+ ATOM 515 HD3 ARG W 554 10.249 -5.266 -5.589 1.00 0.00 H
516
+ ATOM 516 HE ARG W 554 10.821 -7.903 -5.549 1.00 0.00 H
517
+ ATOM 517 HH11 ARG W 554 10.788 -5.278 -7.554 1.00 0.00 H
518
+ ATOM 518 HH12 ARG W 554 11.720 -5.831 -8.575 1.00 0.00 H
519
+ ATOM 519 HH21 ARG W 554 12.246 -8.743 -7.114 1.00 0.00 H
520
+ ATOM 520 HH22 ARG W 554 12.603 -7.928 -8.309 1.00 0.00 H
521
+ ATOM 521 C THR W 555 7.660 -0.568 -2.475 1.00 0.00 C
522
+ ATOM 522 CA THR W 555 7.504 -1.659 -1.422 1.00 0.00 C
523
+ ATOM 523 CB THR W 555 7.989 -1.118 -0.064 1.00 0.00 C
524
+ ATOM 524 CG2 THR W 555 7.862 -2.181 1.017 1.00 0.00 C
525
+ ATOM 525 N THR W 555 8.225 -2.867 -1.804 1.00 0.00 N
526
+ ATOM 526 O THR W 555 8.608 -0.579 -3.260 1.00 0.00 O
527
+ ATOM 527 OG1 THR W 555 9.354 -0.692 -0.164 1.00 0.00 O
528
+ ATOM 528 H THR W 555 8.883 -2.734 -2.342 1.00 0.00 H
529
+ ATOM 529 HA THR W 555 6.568 -1.904 -1.349 1.00 0.00 H
530
+ ATOM 530 HB THR W 555 7.432 -0.361 0.178 1.00 0.00 H
531
+ ATOM 531 HG1 THR W 555 9.653 -0.526 0.603 1.00 0.00 H
532
+ ATOM 532 HG21 THR W 555 8.172 -1.821 1.863 1.00 0.00 H
533
+ ATOM 533 HG22 THR W 555 6.933 -2.448 1.101 1.00 0.00 H
534
+ ATOM 534 HG23 THR W 555 8.400 -2.952 0.778 1.00 0.00 H
535
+ ATOM 535 C THR W 556 6.001 2.689 -2.913 1.00 0.00 C
536
+ ATOM 536 CA THR W 556 6.759 1.478 -3.440 1.00 0.00 C
537
+ ATOM 537 CB THR W 556 6.167 1.066 -4.801 1.00 0.00 C
538
+ ATOM 538 CG2 THR W 556 4.777 0.473 -4.630 1.00 0.00 C
539
+ ATOM 539 N THR W 556 6.724 0.377 -2.485 1.00 0.00 N
540
+ ATOM 540 O THR W 556 5.134 2.568 -2.047 1.00 0.00 O
541
+ ATOM 541 OG1 THR W 556 6.102 2.202 -5.671 1.00 0.00 O
542
+ ATOM 542 H THR W 556 6.057 0.398 -1.943 1.00 0.00 H
543
+ ATOM 543 HA THR W 556 7.692 1.712 -3.561 1.00 0.00 H
544
+ ATOM 544 HB THR W 556 6.745 0.392 -5.192 1.00 0.00 H
545
+ ATOM 545 HG1 THR W 556 5.658 2.005 -6.356 1.00 0.00 H
546
+ ATOM 546 HG21 THR W 556 4.424 0.221 -5.497 1.00 0.00 H
547
+ ATOM 547 HG22 THR W 556 4.827 -0.311 -4.061 1.00 0.00 H
548
+ ATOM 548 HG23 THR W 556 4.192 1.131 -4.222 1.00 0.00 H
549
+ ATOM 549 C TRP W 557 4.372 5.315 -3.711 1.00 0.00 C
550
+ ATOM 550 CA TRP W 557 5.715 5.106 -3.025 1.00 0.00 C
551
+ ATOM 551 CB TRP W 557 6.640 6.277 -3.347 1.00 0.00 C
552
+ ATOM 552 CD1 TRP W 557 9.123 6.450 -2.757 1.00 0.00 C
553
+ ATOM 553 CD2 TRP W 557 7.751 6.370 -0.995 1.00 0.00 C
554
+ ATOM 554 CE2 TRP W 557 9.073 6.460 -0.526 1.00 0.00 C
555
+ ATOM 555 CE3 TRP W 557 6.708 6.307 -0.072 1.00 0.00 C
556
+ ATOM 556 CG TRP W 557 7.805 6.366 -2.419 1.00 0.00 C
557
+ ATOM 557 CH2 TRP W 557 8.337 6.426 1.717 1.00 0.00 C
558
+ ATOM 558 CZ2 TRP W 557 9.379 6.488 0.832 1.00 0.00 C
559
+ ATOM 559 CZ3 TRP W 557 7.010 6.335 1.276 1.00 0.00 C
560
+ ATOM 560 N TRP W 557 6.345 3.858 -3.437 1.00 0.00 N
561
+ ATOM 561 NE1 TRP W 557 9.895 6.504 -1.622 1.00 0.00 N
562
+ ATOM 562 O TRP W 557 3.536 6.083 -3.236 1.00 0.00 O
563
+ ATOM 563 H TRP W 557 6.950 3.951 -4.041 1.00 0.00 H
564
+ ATOM 564 HA TRP W 557 5.557 5.057 -2.069 1.00 0.00 H
565
+ ATOM 565 HB2 TRP W 557 6.963 6.188 -4.257 1.00 0.00 H
566
+ ATOM 566 HB3 TRP W 557 6.135 7.104 -3.305 1.00 0.00 H
567
+ ATOM 567 HD1 TRP W 557 9.451 6.468 -3.627 1.00 0.00 H
568
+ ATOM 568 HE1 TRP W 557 10.753 6.557 -1.602 1.00 0.00 H
569
+ ATOM 569 HE3 TRP W 557 5.825 6.247 -0.358 1.00 0.00 H
570
+ ATOM 570 HZ2 TRP W 557 10.259 6.547 1.127 1.00 0.00 H
571
+ ATOM 571 HZ3 TRP W 557 6.322 6.293 1.900 1.00 0.00 H
572
+ ATOM 572 HH2 TRP W 557 8.513 6.445 2.630 1.00 0.00 H
573
+ ATOM 573 C ILE W 558 1.991 3.616 -5.328 1.00 0.00 C
574
+ ATOM 574 CA ILE W 558 2.937 4.781 -5.591 1.00 0.00 C
575
+ ATOM 575 CB ILE W 558 3.222 4.882 -7.100 1.00 0.00 C
576
+ ATOM 576 CD1 ILE W 558 5.435 5.358 -8.267 1.00 0.00 C
577
+ ATOM 577 CG1 ILE W 558 4.350 5.886 -7.354 1.00 0.00 C
578
+ ATOM 578 CG2 ILE W 558 1.962 5.285 -7.853 1.00 0.00 C
579
+ ATOM 579 N ILE W 558 4.174 4.645 -4.837 1.00 0.00 N
580
+ ATOM 580 O ILE W 558 2.397 2.454 -5.347 1.00 0.00 O
581
+ ATOM 581 H ILE W 558 4.746 4.104 -5.183 1.00 0.00 H
582
+ ATOM 582 HA ILE W 558 2.509 5.599 -5.292 1.00 0.00 H
583
+ ATOM 583 HB ILE W 558 3.503 4.013 -7.425 1.00 0.00 H
584
+ ATOM 584 HG12 ILE W 558 3.975 6.692 -7.742 1.00 0.00 H
585
+ ATOM 585 HG13 ILE W 558 4.746 6.138 -6.505 1.00 0.00 H
586
+ ATOM 586 HG21 ILE W 558 2.157 5.345 -8.801 1.00 0.00 H
587
+ ATOM 587 HG22 ILE W 558 1.271 4.621 -7.706 1.00 0.00 H
588
+ ATOM 588 HG23 ILE W 558 1.655 6.147 -7.532 1.00 0.00 H
589
+ ATOM 589 HD11 ILE W 558 6.116 6.038 -8.387 1.00 0.00 H
590
+ ATOM 590 HD12 ILE W 558 5.834 4.567 -7.872 1.00 0.00 H
591
+ ATOM 591 HD13 ILE W 558 5.051 5.130 -9.128 1.00 0.00 H
592
+ ATOM 592 C ASP W 559 -0.648 2.161 -6.077 1.00 0.00 C
593
+ ATOM 593 CA ASP W 559 -0.285 2.927 -4.806 1.00 0.00 C
594
+ ATOM 594 CB ASP W 559 -1.538 3.576 -4.214 1.00 0.00 C
595
+ ATOM 595 CG ASP W 559 -2.275 4.435 -5.223 1.00 0.00 C
596
+ ATOM 596 N ASP W 559 0.727 3.940 -5.078 1.00 0.00 N
597
+ ATOM 597 O ASP W 559 -0.748 2.748 -7.155 1.00 0.00 O
598
+ ATOM 598 OD1 ASP W 559 -2.956 3.865 -6.102 1.00 0.00 O
599
+ ATOM 599 OD2 ASP W 559 -2.172 5.676 -5.134 1.00 0.00 O
600
+ ATOM 600 H ASP W 559 0.433 4.748 -5.061 1.00 0.00 H
601
+ ATOM 601 HA ASP W 559 0.083 2.299 -4.164 1.00 0.00 H
602
+ ATOM 602 HB2 ASP W 559 -2.133 2.884 -3.886 1.00 0.00 H
603
+ ATOM 603 HB3 ASP W 559 -1.288 4.120 -3.451 1.00 0.00 H
604
+ ATOM 604 C PRO W 560 -2.721 0.035 -7.380 1.00 0.00 C
605
+ ATOM 605 CA PRO W 560 -1.223 0.007 -7.107 1.00 0.00 C
606
+ ATOM 606 CB PRO W 560 -0.781 -1.396 -6.687 1.00 0.00 C
607
+ ATOM 607 CD PRO W 560 -0.778 0.056 -4.727 1.00 0.00 C
608
+ ATOM 608 CG PRO W 560 -0.651 -1.374 -5.194 1.00 0.00 C
609
+ ATOM 609 N PRO W 560 -0.862 0.838 -5.968 1.00 0.00 N
610
+ ATOM 610 O PRO W 560 -3.162 -0.156 -8.513 1.00 0.00 O
611
+ ATOM 611 HA PRO W 560 -0.806 0.313 -7.927 1.00 0.00 H
612
+ ATOM 612 HB2 PRO W 560 -1.430 -2.060 -6.967 1.00 0.00 H
613
+ ATOM 613 HB3 PRO W 560 0.063 -1.631 -7.103 1.00 0.00 H
614
+ ATOM 614 HG2 PRO W 560 -1.338 -1.924 -4.787 1.00 0.00 H
615
+ ATOM 615 HG3 PRO W 560 0.205 -1.743 -4.924 1.00 0.00 H
616
+ ATOM 616 HD2 PRO W 560 -1.567 0.180 -4.177 1.00 0.00 H
617
+ ATOM 617 HD3 PRO W 560 -0.014 0.323 -4.192 1.00 0.00 H
618
+ ATOM 618 C ARG W 561 -5.366 1.343 -7.518 1.00 0.00 C
619
+ ATOM 619 CA ARG W 561 -4.947 0.337 -6.448 1.00 0.00 C
620
+ ATOM 620 CB ARG W 561 -5.572 0.711 -5.103 1.00 0.00 C
621
+ ATOM 621 CD ARG W 561 -5.666 2.558 -3.403 1.00 0.00 C
622
+ ATOM 622 CG ARG W 561 -4.773 1.745 -4.325 1.00 0.00 C
623
+ ATOM 623 CZ ARG W 561 -5.970 2.845 -0.981 1.00 0.00 C
624
+ ATOM 624 N ARG W 561 -3.496 0.278 -6.330 1.00 0.00 N
625
+ ATOM 625 NE ARG W 561 -5.577 2.111 -2.017 1.00 0.00 N
626
+ ATOM 626 NH1 ARG W 561 -6.478 4.054 -1.178 1.00 0.00 N
627
+ ATOM 627 NH2 ARG W 561 -5.855 2.372 0.252 1.00 0.00 N
628
+ ATOM 628 O ARG W 561 -6.454 1.243 -8.085 1.00 0.00 O
629
+ ATOM 629 H ARG W 561 -3.198 0.412 -5.534 1.00 0.00 H
630
+ ATOM 630 HA ARG W 561 -5.265 -0.540 -6.712 1.00 0.00 H
631
+ ATOM 631 HB2 ARG W 561 -6.467 1.053 -5.255 1.00 0.00 H
632
+ ATOM 632 HB3 ARG W 561 -5.662 -0.090 -4.563 1.00 0.00 H
633
+ ATOM 633 HG2 ARG W 561 -4.087 1.300 -3.804 1.00 0.00 H
634
+ ATOM 634 HG3 ARG W 561 -4.319 2.338 -4.944 1.00 0.00 H
635
+ ATOM 635 HD2 ARG W 561 -5.417 3.494 -3.456 1.00 0.00 H
636
+ ATOM 636 HD3 ARG W 561 -6.586 2.492 -3.704 1.00 0.00 H
637
+ ATOM 637 HE ARG W 561 -5.252 1.330 -1.862 1.00 0.00 H
638
+ ATOM 638 HH11 ARG W 561 -6.553 4.364 -1.977 1.00 0.00 H
639
+ ATOM 639 HH12 ARG W 561 -6.732 4.528 -0.507 1.00 0.00 H
640
+ ATOM 640 HH21 ARG W 561 -5.525 1.589 0.383 1.00 0.00 H
641
+ ATOM 641 HH22 ARG W 561 -6.110 2.849 0.921 1.00 0.00 H
642
+ ATOM 642 C ASN W 562 -3.527 3.626 -9.626 1.00 0.00 C
643
+ ATOM 643 CA ASN W 562 -4.773 3.332 -8.800 1.00 0.00 C
644
+ ATOM 644 CB ASN W 562 -5.275 4.634 -8.155 1.00 0.00 C
645
+ ATOM 645 CG ASN W 562 -5.878 4.433 -6.777 1.00 0.00 C
646
+ ATOM 646 N ASN W 562 -4.493 2.310 -7.793 1.00 0.00 N
647
+ ATOM 647 ND2 ASN W 562 -5.241 5.012 -5.765 1.00 0.00 N
648
+ ATOM 648 O ASN W 562 -3.535 3.500 -10.850 1.00 0.00 O
649
+ ATOM 649 OD1 ASN W 562 -6.902 3.767 -6.625 1.00 0.00 O
650
+ ATOM 650 H ASN W 562 -3.730 2.392 -7.406 1.00 0.00 H
651
+ ATOM 651 HA ASN W 562 -5.470 2.984 -9.378 1.00 0.00 H
652
+ ATOM 652 HB2 ASN W 562 -4.537 5.260 -8.089 1.00 0.00 H
653
+ ATOM 653 HB3 ASN W 562 -5.939 5.039 -8.735 1.00 0.00 H
654
+ ATOM 654 HD21 ASN W 562 -5.542 4.929 -4.964 1.00 0.00 H
655
+ ATOM 655 HD22 ASN W 562 -4.528 5.470 -5.911 1.00 0.00 H
656
+ ATOM 656 C GLY W 563 -0.750 5.750 -9.365 1.00 0.00 C
657
+ ATOM 657 CA GLY W 563 -1.213 4.330 -9.625 1.00 0.00 C
658
+ ATOM 658 N GLY W 563 -2.456 4.020 -8.944 1.00 0.00 N
659
+ ATOM 659 O GLY W 563 -0.166 6.390 -10.240 1.00 0.00 O
660
+ ATOM 660 H GLY W 563 -2.432 4.113 -8.089 1.00 0.00 H
661
+ ATOM 661 HA2 GLY W 563 -0.525 3.710 -9.336 1.00 0.00 H
662
+ ATOM 662 HA3 GLY W 563 -1.329 4.200 -10.579 1.00 0.00 H
663
+ ATOM 663 C ARG W 564 0.217 7.590 -6.510 1.00 0.00 C
664
+ ATOM 664 CA ARG W 564 -0.619 7.598 -7.785 1.00 0.00 C
665
+ ATOM 665 CB ARG W 564 -1.857 8.475 -7.590 1.00 0.00 C
666
+ ATOM 666 CD ARG W 564 -3.890 8.056 -9.007 1.00 0.00 C
667
+ ATOM 667 CG ARG W 564 -2.576 8.811 -8.886 1.00 0.00 C
668
+ ATOM 668 CZ ARG W 564 -3.938 7.733 -11.444 1.00 0.00 C
669
+ ATOM 669 N ARG W 564 -1.012 6.244 -8.159 1.00 0.00 N
670
+ ATOM 670 NE ARG W 564 -3.939 7.234 -10.212 1.00 0.00 N
671
+ ATOM 671 NH1 ARG W 564 -3.893 9.045 -11.631 1.00 0.00 N
672
+ ATOM 672 NH2 ARG W 564 -3.983 6.920 -12.491 1.00 0.00 N
673
+ ATOM 673 O ARG W 564 -0.032 6.803 -5.597 1.00 0.00 O
674
+ ATOM 674 H ARG W 564 -1.419 5.808 -7.539 1.00 0.00 H
675
+ ATOM 675 HA ARG W 564 -0.080 7.964 -8.504 1.00 0.00 H
676
+ ATOM 676 HB2 ARG W 564 -2.474 8.022 -6.995 1.00 0.00 H
677
+ ATOM 677 HB3 ARG W 564 -1.594 9.299 -7.152 1.00 0.00 H
678
+ ATOM 678 HG2 ARG W 564 -2.745 9.765 -8.925 1.00 0.00 H
679
+ ATOM 679 HG3 ARG W 564 -2.006 8.593 -9.640 1.00 0.00 H
680
+ ATOM 680 HD2 ARG W 564 -4.011 7.492 -8.227 1.00 0.00 H
681
+ ATOM 681 HD3 ARG W 564 -4.626 8.688 -9.018 1.00 0.00 H
682
+ ATOM 682 HE ARG W 564 -3.970 6.380 -10.120 1.00 0.00 H
683
+ ATOM 683 HH11 ARG W 564 -3.864 9.575 -10.954 1.00 0.00 H
684
+ ATOM 684 HH12 ARG W 564 -3.892 9.366 -12.429 1.00 0.00 H
685
+ ATOM 685 HH21 ARG W 564 -4.013 6.069 -12.373 1.00 0.00 H
686
+ ATOM 686 HH22 ARG W 564 -3.982 7.244 -13.288 1.00 0.00 H
687
+ ATOM 687 C ALA W 565 1.277 8.796 -4.016 1.00 0.00 C
688
+ ATOM 688 CA ALA W 565 2.083 8.566 -5.290 1.00 0.00 C
689
+ ATOM 689 CB ALA W 565 3.102 9.680 -5.482 1.00 0.00 C
690
+ ATOM 690 N ALA W 565 1.210 8.472 -6.454 1.00 0.00 N
691
+ ATOM 691 O ALA W 565 0.381 9.639 -3.980 1.00 0.00 O
692
+ ATOM 692 H ALA W 565 1.395 9.028 -7.084 1.00 0.00 H
693
+ ATOM 693 HA ALA W 565 2.554 7.723 -5.198 1.00 0.00 H
694
+ ATOM 694 HB1 ALA W 565 3.676 9.732 -4.702 1.00 0.00 H
695
+ ATOM 695 HB2 ALA W 565 3.641 9.494 -6.267 1.00 0.00 H
696
+ ATOM 696 HB3 ALA W 565 2.640 10.525 -5.600 1.00 0.00 H
697
+ ATOM 697 C SER W 566 0.909 9.609 -1.213 1.00 0.00 C
698
+ ATOM 698 CA SER W 566 0.908 8.163 -1.695 1.00 0.00 C
699
+ ATOM 699 CB SER W 566 1.563 7.262 -0.647 1.00 0.00 C
700
+ ATOM 700 N SER W 566 1.602 8.041 -2.972 1.00 0.00 N
701
+ ATOM 701 O SER W 566 -0.136 10.145 -0.852 1.00 0.00 O
702
+ ATOM 702 OG SER W 566 0.630 6.340 -0.110 1.00 0.00 O
703
+ ATOM 703 H SER W 566 2.225 7.449 -2.983 1.00 0.00 H
704
+ ATOM 704 HA SER W 566 -0.012 7.883 -1.823 1.00 0.00 H
705
+ ATOM 705 HB2 SER W 566 2.304 6.781 -1.048 1.00 0.00 H
706
+ ATOM 706 HB3 SER W 566 1.931 7.806 0.067 1.00 0.00 H
707
+ ATOM 707 HG SER W 566 0.630 6.397 0.728 1.00 0.00 H
708
+ TER 708 SER W 566
709
+ END
2g97/2g97_ligand.mol2 ADDED
@@ -0,0 +1,134 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:55 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2g97_ligand
7
+ 58 60 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
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2g97/2g97_ligand.sdf ADDED
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