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1 Parent(s): 5c3f644

Add batch 61

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  1. 1acj/1acj_ligand.mol2 +76 -0
  2. 1acj/1acj_ligand.sdf +66 -0
  3. 1acj/1acj_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1acj/1acj_protein_processed_fix.pdb +0 -0
  5. 1ahy/1ahy_ligand.mol2 +35 -0
  6. 1ahy/1ahy_ligand.sdf +29 -0
  7. 1ahy/1ahy_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1ahy/1ahy_protein_processed_fix.pdb +0 -0
  9. 1bv9/1bv9_ligand.mol2 +206 -0
  10. 1bv9/1bv9_ligand.sdf +196 -0
  11. 1bv9/1bv9_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1bv9/1bv9_protein_processed_fix.pdb +0 -0
  13. 1ec0/1ec0_ligand.mol2 +197 -0
  14. 1ec0/1ec0_ligand.sdf +187 -0
  15. 1ec0/1ec0_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1ec0/1ec0_protein_processed_fix.pdb +0 -0
  17. 1g9s/1g9s_ligand.mol2 +86 -0
  18. 1g9s/1g9s_ligand.sdf +80 -0
  19. 1g9s/1g9s_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1g9s/1g9s_protein_processed_fix.pdb +0 -0
  21. 1gar/1gar_ligand.mol2 +181 -0
  22. 1gar/1gar_ligand.sdf +179 -0
  23. 1gar/1gar_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1gar/1gar_protein_processed_fix.pdb +0 -0
  25. 1h1h/1h1h_ligand.mol2 +94 -0
  26. 1h1h/1h1h_ligand.sdf +92 -0
  27. 1h1h/1h1h_protein_esmfold_aligned_tr_fix.pdb +1103 -0
  28. 1h1h/1h1h_protein_processed_fix.pdb +0 -0
  29. 1inq/1inq_ligand.mol2 +306 -0
  30. 1inq/1inq_ligand.sdf +296 -0
  31. 1inq/1inq_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1inq/1inq_protein_processed_fix.pdb +0 -0
  33. 1jh1/1jh1_ligand.mol2 +75 -0
  34. 1jh1/1jh1_ligand.sdf +65 -0
  35. 1jh1/1jh1_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1jh1/1jh1_protein_processed_fix.pdb +0 -0
  37. 1m5b/1m5b_ligand.mol2 +73 -0
  38. 1m5b/1m5b_ligand.sdf +65 -0
  39. 1m5b/1m5b_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1m5b/1m5b_protein_processed_fix.pdb +0 -0
  41. 1m6p/1m6p_ligand.mol2 +70 -0
  42. 1m6p/1m6p_ligand.sdf +64 -0
  43. 1m6p/1m6p_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 1m6p/1m6p_protein_processed_fix.pdb +0 -0
  45. 1noj/1noj_ligand.mol2 +65 -0
  46. 1noj/1noj_ligand.sdf +55 -0
  47. 1noj/1noj_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 1noj/1noj_protein_processed_fix.pdb +0 -0
  49. 1so2/1so2_ligand.mol2 +127 -0
  50. 1so2/1so2_ligand.sdf +117 -0
1acj/1acj_ligand.mol2 ADDED
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1acj/1acj_protein_esmfold_aligned_tr_fix.pdb ADDED
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1acj/1acj_protein_processed_fix.pdb ADDED
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1ahy/1ahy_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
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1ahy/1ahy_protein_esmfold_aligned_tr_fix.pdb ADDED
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1ahy/1ahy_protein_processed_fix.pdb ADDED
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1bv9/1bv9_ligand.mol2 ADDED
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1bv9/1bv9_protein_processed_fix.pdb ADDED
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+ $$$$
1ec0/1ec0_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ec0/1ec0_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1g9s/1g9s_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
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+
5
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14
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+ M END
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+ $$$$
1g9s/1g9s_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1g9s/1g9s_protein_processed_fix.pdb ADDED
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+ $$$$
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1gar/1gar_protein_processed_fix.pdb ADDED
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1
+ ATOM 1 C MET A 1 24.637 43.033 0.843 1.00 78.14 C
2
+ ATOM 2 CA MET A 1 25.299 43.872 -0.245 1.00 76.15 C
3
+ ATOM 3 CB MET A 1 26.804 43.965 0.009 1.00 70.03 C
4
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5
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6
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+ ATOM 8 SD MET A 1 29.348 42.806 0.094 1.00 57.44 S
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+ ATOM 9 C ARG A 2 24.848 40.264 2.595 1.00 86.21 C
10
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11
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12
+ ATOM 12 CD ARG A 2 22.115 37.364 0.897 1.00 80.56 C
13
+ ATOM 13 CG ARG A 2 22.564 38.574 1.704 1.00 81.84 C
14
+ ATOM 14 CZ ARG A 2 23.920 35.676 0.859 1.00 76.86 C
15
+ ATOM 15 N ARG A 2 24.434 41.758 0.685 1.00 85.04 N
16
+ ATOM 16 NE ARG A 2 23.247 36.671 0.289 1.00 73.78 N
17
+ ATOM 17 NH1 ARG A 2 23.587 35.236 2.067 1.00 65.96 N
18
+ ATOM 18 NH2 ARG A 2 24.935 35.116 0.216 1.00 63.59 N
19
+ ATOM 19 O ARG A 2 25.939 39.840 2.207 1.00 84.99 O
20
+ ATOM 20 C PRO A 3 25.717 38.330 4.554 1.00 87.52 C
21
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22
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23
+ ATOM 23 CD PRO A 3 23.320 41.062 4.583 1.00 81.39 C
24
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25
+ ATOM 25 N PRO A 3 24.544 40.431 3.910 1.00 86.76 N
26
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27
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30
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31
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32
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33
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35
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36
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37
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38
+ ATOM 38 CG GLN A 5 24.703 36.251 8.748 1.00 81.66 C
39
+ ATOM 39 N GLN A 5 26.168 35.686 6.132 1.00 89.09 N
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
+ ATOM 46 CD1 PHE A 6 20.723 35.760 7.893 1.00 88.14 C
47
+ ATOM 47 CD2 PHE A 6 21.666 37.868 7.272 1.00 88.12 C
48
+ ATOM 48 CE1 PHE A 6 20.611 36.194 9.212 1.00 87.90 C
49
+ ATOM 49 CE2 PHE A 6 21.558 38.308 8.588 1.00 88.03 C
50
+ ATOM 50 CG PHE A 6 21.250 36.593 6.913 1.00 90.41 C
51
+ ATOM 51 CZ PHE A 6 21.029 37.470 9.557 1.00 86.74 C
52
+ ATOM 52 N PHE A 6 23.602 35.121 5.725 1.00 91.94 N
53
+ ATOM 53 O PHE A 6 22.947 34.817 3.038 1.00 91.57 O
54
+ ATOM 54 C THR A 7 20.179 34.283 1.567 1.00 93.72 C
55
+ ATOM 55 CA THR A 7 20.951 33.123 2.187 1.00 93.68 C
56
+ ATOM 56 CB THR A 7 20.113 31.835 2.089 1.00 93.04 C
57
+ ATOM 57 CG2 THR A 7 20.762 30.695 2.867 1.00 90.54 C
58
+ ATOM 58 N THR A 7 21.305 33.419 3.571 1.00 93.53 N
59
+ ATOM 59 O THR A 7 19.774 35.213 2.269 1.00 93.23 O
60
+ ATOM 60 OG1 THR A 7 18.806 32.079 2.622 1.00 91.25 O
61
+ ATOM 61 C ARG A 8 17.791 35.364 0.098 1.00 93.81 C
62
+ ATOM 62 CA ARG A 8 19.227 35.320 -0.412 1.00 93.37 C
63
+ ATOM 63 CB ARG A 8 19.238 35.102 -1.926 1.00 91.93 C
64
+ ATOM 64 CD ARG A 8 20.493 35.349 -4.096 1.00 80.86 C
65
+ ATOM 65 CG ARG A 8 20.586 35.374 -2.577 1.00 84.64 C
66
+ ATOM 66 CZ ARG A 8 20.102 33.681 -5.879 1.00 73.71 C
67
+ ATOM 67 N ARG A 8 19.991 34.277 0.264 1.00 93.07 N
68
+ ATOM 68 NE ARG A 8 20.315 33.992 -4.603 1.00 77.27 N
69
+ ATOM 69 NH1 ARG A 8 20.034 34.630 -6.806 1.00 61.63 N
70
+ ATOM 70 NH2 ARG A 8 19.954 32.413 -6.232 1.00 57.70 N
71
+ ATOM 71 O ARG A 8 17.230 36.444 0.300 1.00 93.50 O
72
+ ATOM 72 C ALA A 9 15.669 34.695 2.244 1.00 95.05 C
73
+ ATOM 73 CA ALA A 9 15.776 34.146 0.823 1.00 95.03 C
74
+ ATOM 74 CB ALA A 9 15.263 32.709 0.771 1.00 94.47 C
75
+ ATOM 75 N ALA A 9 17.151 34.214 0.336 1.00 94.86 N
76
+ ATOM 76 O ALA A 9 14.720 35.411 2.570 1.00 94.71 O
77
+ ATOM 77 C GLN A 10 16.846 36.352 4.498 1.00 94.02 C
78
+ ATOM 78 CA GLN A 10 16.696 34.834 4.450 1.00 94.19 C
79
+ ATOM 79 CB GLN A 10 17.819 34.170 5.248 1.00 93.58 C
80
+ ATOM 80 CD GLN A 10 18.803 31.996 6.093 1.00 89.40 C
81
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82
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83
+ ATOM 83 NE2 GLN A 10 18.597 30.844 6.723 1.00 87.95 N
84
+ ATOM 84 O GLN A 10 16.148 37.027 5.257 1.00 93.44 O
85
+ ATOM 85 OE1 GLN A 10 19.928 32.485 5.949 1.00 88.01 O
86
+ ATOM 86 C TRP A 11 16.691 38.974 3.083 1.00 94.01 C
87
+ ATOM 87 CA TRP A 11 17.911 38.259 3.652 1.00 93.98 C
88
+ ATOM 88 CB TRP A 11 19.153 38.603 2.825 1.00 93.23 C
89
+ ATOM 89 CD1 TRP A 11 19.548 40.870 1.684 1.00 84.19 C
90
+ ATOM 90 CD2 TRP A 11 19.772 40.904 3.912 1.00 84.90 C
91
+ ATOM 91 CE2 TRP A 11 20.016 42.203 3.414 1.00 86.34 C
92
+ ATOM 92 CE3 TRP A 11 19.855 40.681 5.294 1.00 87.74 C
93
+ ATOM 93 CG TRP A 11 19.475 40.067 2.790 1.00 90.06 C
94
+ ATOM 94 CH2 TRP A 11 20.412 43.029 5.596 1.00 84.20 C
95
+ ATOM 95 CZ2 TRP A 11 20.337 43.275 4.249 1.00 86.36 C
96
+ ATOM 96 CZ3 TRP A 11 20.176 41.748 6.123 1.00 85.60 C
97
+ ATOM 97 N TRP A 11 17.701 36.816 3.685 1.00 93.73 N
98
+ ATOM 98 NE1 TRP A 11 19.872 42.155 2.053 1.00 88.62 N
99
+ ATOM 99 O TRP A 11 16.322 40.054 3.549 1.00 93.44 O
100
+ ATOM 100 C PHE A 12 13.766 39.031 2.638 1.00 94.93 C
101
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102
+ ATOM 102 CB PHE A 12 14.244 37.949 0.430 1.00 94.67 C
103
+ ATOM 103 CD1 PHE A 12 12.815 39.159 -1.249 1.00 92.56 C
104
+ ATOM 104 CD2 PHE A 12 11.734 38.016 0.551 1.00 92.33 C
105
+ ATOM 105 CE1 PHE A 12 11.576 39.562 -1.744 1.00 91.75 C
106
+ ATOM 106 CE2 PHE A 12 10.493 38.416 0.064 1.00 92.17 C
107
+ ATOM 107 CG PHE A 12 12.904 38.383 -0.100 1.00 94.02 C
108
+ ATOM 108 CZ PHE A 12 10.416 39.189 -1.083 1.00 91.53 C
109
+ ATOM 109 N PHE A 12 16.045 38.323 2.060 1.00 94.68 N
110
+ ATOM 110 O PHE A 12 13.121 40.076 2.737 1.00 94.59 O
111
+ ATOM 111 C ALA A 13 12.938 39.151 5.507 1.00 94.59 C
112
+ ATOM 112 CA ALA A 13 12.618 38.045 4.507 1.00 94.82 C
113
+ ATOM 113 CB ALA A 13 12.559 36.693 5.215 1.00 94.11 C
114
+ ATOM 114 N ALA A 13 13.603 38.011 3.428 1.00 94.89 N
115
+ ATOM 115 O ALA A 13 12.046 39.889 5.933 1.00 93.94 O
116
+ ATOM 116 C ILE A 14 14.367 41.705 6.204 1.00 93.05 C
117
+ ATOM 117 CA ILE A 14 14.627 40.319 6.793 1.00 93.24 C
118
+ ATOM 118 CB ILE A 14 16.117 40.167 7.167 1.00 92.53 C
119
+ ATOM 119 CD1 ILE A 14 17.789 38.512 8.187 1.00 86.05 C
120
+ ATOM 120 CG1 ILE A 14 16.327 38.910 8.019 1.00 89.00 C
121
+ ATOM 121 CG2 ILE A 14 16.621 41.415 7.900 1.00 88.48 C
122
+ ATOM 122 N ILE A 14 14.208 39.294 5.843 1.00 93.35 N
123
+ ATOM 123 O ILE A 14 13.881 42.600 6.899 1.00 92.27 O
124
+ ATOM 124 C GLN A 15 12.994 43.528 4.052 1.00 94.13 C
125
+ ATOM 125 CA GLN A 15 14.451 43.142 4.296 1.00 93.99 C
126
+ ATOM 126 CB GLN A 15 15.222 43.144 2.975 1.00 92.39 C
127
+ ATOM 127 CD GLN A 15 17.458 43.444 1.826 1.00 74.97 C
128
+ ATOM 128 CG GLN A 15 16.731 43.254 3.145 1.00 81.74 C
129
+ ATOM 129 N GLN A 15 14.548 41.838 4.943 1.00 94.07 N
130
+ ATOM 130 NE2 GLN A 15 18.109 42.387 1.351 1.00 63.14 N
131
+ ATOM 131 O GLN A 15 12.634 44.703 4.144 1.00 93.46 O
132
+ ATOM 132 OE1 GLN A 15 17.433 44.529 1.239 1.00 71.36 O
133
+ ATOM 133 C HIS A 16 9.691 42.436 3.883 1.00 95.15 C
134
+ ATOM 134 CA HIS A 16 10.930 42.968 3.170 1.00 95.34 C
135
+ ATOM 135 CB HIS A 16 10.925 42.522 1.707 1.00 94.84 C
136
+ ATOM 136 CD2 HIS A 16 13.087 42.668 0.279 1.00 90.99 C
137
+ ATOM 137 CE1 HIS A 16 13.027 44.816 -0.159 1.00 90.99 C
138
+ ATOM 138 CG HIS A 16 11.983 43.177 0.877 1.00 93.89 C
139
+ ATOM 139 N HIS A 16 12.150 42.525 3.835 1.00 95.11 N
140
+ ATOM 140 ND1 HIS A 16 11.974 44.524 0.587 1.00 91.04 N
141
+ ATOM 141 NE2 HIS A 16 13.718 43.707 -0.359 1.00 91.16 N
142
+ ATOM 142 O HIS A 16 8.573 42.879 3.606 1.00 94.62 O
143
+ ATOM 143 C ILE A 17 8.487 41.343 6.771 1.00 94.45 C
144
+ ATOM 144 CA ILE A 17 8.676 40.854 5.337 1.00 95.04 C
145
+ ATOM 145 CB ILE A 17 8.779 39.312 5.306 1.00 94.43 C
146
+ ATOM 146 CD1 ILE A 17 8.085 39.254 2.841 1.00 86.92 C
147
+ ATOM 147 CG1 ILE A 17 9.102 38.826 3.888 1.00 91.07 C
148
+ ATOM 148 CG2 ILE A 17 7.486 38.674 5.822 1.00 90.66 C
149
+ ATOM 149 N ILE A 17 9.858 41.478 4.754 1.00 95.15 N
150
+ ATOM 150 O ILE A 17 9.365 41.155 7.618 1.00 93.27 O
151
+ ATOM 151 C SER A 18 5.377 42.522 8.430 1.00 92.77 C
152
+ ATOM 152 CA SER A 18 6.891 42.357 8.359 1.00 93.13 C
153
+ ATOM 153 CB SER A 18 7.574 43.657 8.784 1.00 91.97 C
154
+ ATOM 154 N SER A 18 7.318 41.968 7.019 1.00 93.40 N
155
+ ATOM 155 O SER A 18 4.791 43.269 7.645 1.00 91.46 O
156
+ ATOM 156 OG SER A 18 7.178 44.029 10.094 1.00 84.70 O
157
+ ATOM 157 C LEU A 19 2.875 43.209 10.023 1.00 88.54 C
158
+ ATOM 158 CA LEU A 19 3.293 41.866 9.434 1.00 89.88 C
159
+ ATOM 159 CB LEU A 19 2.756 40.725 10.304 1.00 86.45 C
160
+ ATOM 160 CD1 LEU A 19 2.380 38.277 10.692 1.00 68.12 C
161
+ ATOM 161 CD2 LEU A 19 1.672 39.325 8.525 1.00 68.55 C
162
+ ATOM 162 CG LEU A 19 2.701 39.343 9.651 1.00 75.70 C
163
+ ATOM 163 N LEU A 19 4.744 41.779 9.317 1.00 90.14 N
164
+ ATOM 164 O LEU A 19 1.858 43.778 9.621 1.00 85.89 O
165
+ ATOM 165 C ASN A 20 4.613 45.752 11.722 1.00 87.70 C
166
+ ATOM 166 CA ASN A 20 3.345 44.926 11.524 1.00 88.23 C
167
+ ATOM 167 CB ASN A 20 2.664 44.669 12.870 1.00 83.74 C
168
+ ATOM 168 CG ASN A 20 1.939 45.890 13.401 1.00 74.81 C
169
+ ATOM 169 N ASN A 20 3.627 43.667 10.843 1.00 88.88 N
170
+ ATOM 170 ND2 ASN A 20 1.577 45.855 14.677 1.00 65.27 N
171
+ ATOM 171 O ASN A 20 5.076 45.927 12.851 1.00 83.60 O
172
+ ATOM 172 OD1 ASN A 20 1.707 46.856 12.669 1.00 66.59 O
173
+ ATOM 173 C PRO A 21 6.032 48.245 11.517 1.00 82.46 C
174
+ ATOM 174 CA PRO A 21 6.275 46.975 10.706 1.00 82.81 C
175
+ ATOM 175 CB PRO A 21 6.657 47.313 9.263 1.00 79.74 C
176
+ ATOM 176 CD PRO A 21 4.498 46.199 9.149 1.00 80.08 C
177
+ ATOM 177 CG PRO A 21 5.376 47.229 8.498 1.00 79.74 C
178
+ ATOM 178 N PRO A 21 5.066 46.162 10.552 1.00 83.36 N
179
+ ATOM 179 O PRO A 21 4.985 48.882 11.378 1.00 77.65 O
180
+ ATOM 180 C PRO A 22 7.184 50.931 12.041 1.00 82.96 C
181
+ ATOM 181 CA PRO A 22 6.862 49.799 13.013 1.00 82.98 C
182
+ ATOM 182 CB PRO A 22 7.914 49.715 14.122 1.00 78.40 C
183
+ ATOM 183 CD PRO A 22 8.311 47.777 12.706 1.00 73.65 C
184
+ ATOM 184 CG PRO A 22 8.970 48.806 13.579 1.00 76.13 C
185
+ ATOM 185 N PRO A 22 6.928 48.477 12.385 1.00 84.05 N
186
+ ATOM 186 O PRO A 22 7.415 50.684 10.855 1.00 76.40 O
187
+ ATOM 187 C ARG A 23 9.043 52.951 11.053 1.00 91.92 C
188
+ ATOM 188 CA ARG A 23 7.713 53.245 11.738 1.00 91.02 C
189
+ ATOM 189 CB ARG A 23 7.834 54.506 12.598 1.00 88.65 C
190
+ ATOM 190 CD ARG A 23 6.618 56.398 13.731 1.00 73.53 C
191
+ ATOM 191 CG ARG A 23 6.513 54.983 13.180 1.00 77.89 C
192
+ ATOM 192 CZ ARG A 23 5.249 57.933 15.104 1.00 64.72 C
193
+ ATOM 193 N ARG A 23 7.277 52.112 12.548 1.00 91.01 N
194
+ ATOM 194 NE ARG A 23 5.482 56.730 14.586 1.00 67.28 N
195
+ ATOM 195 NH1 ARG A 23 6.072 58.947 14.861 1.00 52.67 N
196
+ ATOM 196 NH2 ARG A 23 4.184 58.124 15.869 1.00 47.75 N
197
+ ATOM 197 O ARG A 23 9.867 52.201 11.582 1.00 91.32 O
198
+ ATOM 198 C CYS A 24 11.614 53.332 9.707 1.00 93.38 C
199
+ ATOM 199 CA CYS A 24 10.291 53.169 8.968 1.00 93.56 C
200
+ ATOM 200 CB CYS A 24 10.264 54.082 7.744 1.00 92.97 C
201
+ ATOM 201 N CYS A 24 9.164 53.459 9.848 1.00 93.36 N
202
+ ATOM 202 O CYS A 24 12.508 52.494 9.579 1.00 92.74 O
203
+ ATOM 203 SG CYS A 24 9.117 53.540 6.457 1.00 92.69 S
204
+ ATOM 204 C THR A 25 13.405 53.572 12.057 1.00 92.03 C
205
+ ATOM 205 CA THR A 25 13.026 54.695 11.096 1.00 92.26 C
206
+ ATOM 206 CB THR A 25 12.971 56.032 11.858 1.00 91.59 C
207
+ ATOM 207 CG2 THR A 25 14.279 56.298 12.596 1.00 88.43 C
208
+ ATOM 208 N THR A 25 11.756 54.407 10.440 1.00 92.37 N
209
+ ATOM 209 O THR A 25 14.584 53.240 12.199 1.00 91.10 O
210
+ ATOM 210 OG1 THR A 25 12.733 57.097 10.929 1.00 89.17 O
211
+ ATOM 211 C ILE A 26 12.874 50.561 12.802 1.00 91.49 C
212
+ ATOM 212 CA ILE A 26 12.674 51.850 13.598 1.00 91.26 C
213
+ ATOM 213 CB ILE A 26 11.519 51.681 14.610 1.00 90.05 C
214
+ ATOM 214 CD1 ILE A 26 10.229 52.895 16.460 1.00 79.51 C
215
+ ATOM 215 CG1 ILE A 26 11.439 52.898 15.538 1.00 83.49 C
216
+ ATOM 216 CG2 ILE A 26 11.690 50.389 15.414 1.00 82.44 C
217
+ ATOM 217 N ILE A 26 12.426 52.960 12.684 1.00 91.37 N
218
+ ATOM 218 O ILE A 26 13.833 49.822 13.037 1.00 90.78 O
219
+ ATOM 219 C ALA A 27 13.385 48.976 10.308 1.00 91.80 C
220
+ ATOM 220 CA ALA A 27 12.066 49.094 11.067 1.00 91.70 C
221
+ ATOM 221 CB ALA A 27 10.889 49.030 10.095 1.00 91.02 C
222
+ ATOM 222 N ALA A 27 12.017 50.329 11.844 1.00 91.69 N
223
+ ATOM 223 O ALA A 27 13.922 47.877 10.154 1.00 91.11 O
224
+ ATOM 224 C MET A 28 16.404 49.867 9.851 1.00 92.08 C
225
+ ATOM 225 CA MET A 28 15.149 50.119 9.023 1.00 92.42 C
226
+ ATOM 226 CB MET A 28 15.270 51.452 8.284 1.00 91.87 C
227
+ ATOM 227 CE MET A 28 16.235 51.127 5.146 1.00 85.21 C
228
+ ATOM 228 CG MET A 28 14.305 51.597 7.117 1.00 90.57 C
229
+ ATOM 229 N MET A 28 13.957 50.106 9.866 1.00 92.45 N
230
+ ATOM 230 O MET A 28 17.467 49.573 9.301 1.00 91.09 O
231
+ ATOM 231 SD MET A 28 14.674 50.429 5.752 1.00 89.97 S
232
+ ATOM 232 C ARG A 29 18.256 48.462 11.794 1.00 90.62 C
233
+ ATOM 233 CA ARG A 29 17.537 49.789 12.008 1.00 90.61 C
234
+ ATOM 234 CB ARG A 29 17.162 49.951 13.483 1.00 89.06 C
235
+ ATOM 235 CD ARG A 29 16.550 51.497 15.374 1.00 78.60 C
236
+ ATOM 236 CG ARG A 29 16.841 51.381 13.884 1.00 82.02 C
237
+ ATOM 237 CZ ARG A 29 15.788 53.233 16.963 1.00 69.44 C
238
+ ATOM 238 N ARG A 29 16.350 49.884 11.164 1.00 90.90 N
239
+ ATOM 239 NE ARG A 29 16.161 52.856 15.742 1.00 71.77 N
240
+ ATOM 240 NH1 ARG A 29 15.745 52.356 17.959 1.00 54.78 N
241
+ ATOM 241 NH2 ARG A 29 15.454 54.495 17.188 1.00 51.53 N
242
+ ATOM 242 O ARG A 29 19.484 48.425 11.689 1.00 89.68 O
243
+ ATOM 243 C ALA A 30 18.749 46.013 10.277 1.00 89.41 C
244
+ ATOM 244 CA ALA A 30 18.031 46.113 11.621 1.00 89.11 C
245
+ ATOM 245 CB ALA A 30 16.979 45.014 11.742 1.00 87.60 C
246
+ ATOM 246 N ALA A 30 17.417 47.427 11.790 1.00 89.29 N
247
+ ATOM 247 O ALA A 30 19.875 45.515 10.204 1.00 88.59 O
248
+ ATOM 248 C ILE A 31 19.942 47.299 7.812 1.00 90.70 C
249
+ ATOM 249 CA ILE A 31 18.686 46.435 7.895 1.00 91.27 C
250
+ ATOM 250 CB ILE A 31 17.654 46.887 6.838 1.00 90.35 C
251
+ ATOM 251 CD1 ILE A 31 15.255 46.469 6.041 1.00 83.49 C
252
+ ATOM 252 CG1 ILE A 31 16.441 45.949 6.840 1.00 86.06 C
253
+ ATOM 253 CG2 ILE A 31 18.295 46.950 5.450 1.00 85.16 C
254
+ ATOM 254 N ILE A 31 18.132 46.499 9.244 1.00 91.18 N
255
+ ATOM 255 O ILE A 31 20.971 46.860 7.292 1.00 89.54 O
256
+ ATOM 256 C ASN A 32 22.207 48.832 9.137 1.00 90.92 C
257
+ ATOM 257 CA ASN A 32 21.035 49.387 8.334 1.00 91.41 C
258
+ ATOM 258 CB ASN A 32 20.636 50.768 8.861 1.00 90.94 C
259
+ ATOM 259 CG ASN A 32 19.650 51.477 7.955 1.00 90.12 C
260
+ ATOM 260 N ASN A 32 19.892 48.481 8.357 1.00 91.49 N
261
+ ATOM 261 ND2 ASN A 32 18.874 52.390 8.523 1.00 88.67 N
262
+ ATOM 262 O ASN A 32 23.366 49.013 8.759 1.00 89.85 O
263
+ ATOM 263 OD1 ASN A 32 19.585 51.203 6.754 1.00 88.75 O
264
+ ATOM 264 C ASN A 33 23.663 46.474 10.298 1.00 89.44 C
265
+ ATOM 265 CA ASN A 33 22.910 47.558 11.064 1.00 89.56 C
266
+ ATOM 266 CB ASN A 33 22.320 46.985 12.354 1.00 88.02 C
267
+ ATOM 267 CG ASN A 33 22.105 48.043 13.419 1.00 80.95 C
268
+ ATOM 268 N ASN A 33 21.861 48.162 10.248 1.00 90.04 N
269
+ ATOM 269 ND2 ASN A 33 21.168 47.790 14.325 1.00 73.59 N
270
+ ATOM 270 O ASN A 33 24.892 46.414 10.348 1.00 88.20 O
271
+ ATOM 271 OD1 ASN A 33 22.775 49.079 13.426 1.00 74.64 O
272
+ ATOM 272 C TYR A 34 24.352 45.161 7.633 1.00 87.58 C
273
+ ATOM 273 CA TYR A 34 23.517 44.602 8.778 1.00 88.74 C
274
+ ATOM 274 CB TYR A 34 22.469 43.628 8.233 1.00 87.77 C
275
+ ATOM 275 CD1 TYR A 34 22.837 41.762 9.896 1.00 82.10 C
276
+ ATOM 276 CD2 TYR A 34 20.616 42.588 9.593 1.00 82.35 C
277
+ ATOM 277 CE1 TYR A 34 22.376 40.851 10.841 1.00 83.00 C
278
+ ATOM 278 CE2 TYR A 34 20.144 41.681 10.535 1.00 83.48 C
279
+ ATOM 279 CG TYR A 34 21.964 42.642 9.259 1.00 85.77 C
280
+ ATOM 280 CZ TYR A 34 21.030 40.818 11.154 1.00 81.27 C
281
+ ATOM 281 N TYR A 34 22.876 45.676 9.530 1.00 88.90 N
282
+ ATOM 282 O TYR A 34 25.347 44.554 7.228 1.00 85.55 O
283
+ ATOM 283 OH TYR A 34 20.568 39.918 12.088 1.00 77.79 O
284
+ ATOM 284 C ARG A 35 25.720 47.918 6.373 1.00 85.25 C
285
+ ATOM 285 CA ARG A 35 24.690 46.872 5.960 1.00 85.76 C
286
+ ATOM 286 CB ARG A 35 23.667 47.494 5.007 1.00 83.95 C
287
+ ATOM 287 CD ARG A 35 21.882 47.118 3.270 1.00 75.18 C
288
+ ATOM 288 CG ARG A 35 22.734 46.483 4.360 1.00 78.03 C
289
+ ATOM 289 CZ ARG A 35 22.174 47.918 0.949 1.00 68.26 C
290
+ ATOM 290 N ARG A 35 24.024 46.302 7.127 1.00 86.61 N
291
+ ATOM 291 NE ARG A 35 22.670 47.424 2.080 1.00 68.11 N
292
+ ATOM 292 NH1 ARG A 35 20.877 48.172 0.831 1.00 57.77 N
293
+ ATOM 293 NH2 ARG A 35 22.983 48.159 -0.073 1.00 54.56 N
294
+ ATOM 294 O ARG A 35 26.479 48.414 5.539 1.00 83.02 O
295
+ ATOM 295 C TRP A 36 26.416 50.605 7.453 1.00 86.68 C
296
+ ATOM 296 CA TRP A 36 26.548 49.269 8.178 1.00 87.42 C
297
+ ATOM 297 CB TRP A 36 28.002 48.791 8.134 1.00 83.75 C
298
+ ATOM 298 CD1 TRP A 36 28.360 46.282 8.535 1.00 63.31 C
299
+ ATOM 299 CD2 TRP A 36 28.472 47.539 10.384 1.00 66.28 C
300
+ ATOM 300 CE2 TRP A 36 28.683 46.189 10.743 1.00 66.93 C
301
+ ATOM 301 CE3 TRP A 36 28.498 48.518 11.387 1.00 77.51 C
302
+ ATOM 302 CG TRP A 36 28.268 47.574 8.969 1.00 73.32 C
303
+ ATOM 303 CH2 TRP A 36 28.938 46.772 13.023 1.00 71.46 C
304
+ ATOM 304 CZ2 TRP A 36 28.918 45.794 12.062 1.00 76.43 C
305
+ ATOM 305 CZ3 TRP A 36 28.731 48.123 12.699 1.00 70.30 C
306
+ ATOM 306 N TRP A 36 25.661 48.269 7.592 1.00 86.93 N
307
+ ATOM 307 NE1 TRP A 36 28.610 45.443 9.597 1.00 79.07 N
308
+ ATOM 308 O TRP A 36 27.399 51.336 7.304 1.00 82.92 O
309
+ ATOM 309 C ARG A 37 23.568 52.462 6.184 1.00 88.25 C
310
+ ATOM 310 CA ARG A 37 25.078 52.264 6.277 1.00 87.44 C
311
+ ATOM 311 CB ARG A 37 25.705 52.357 4.886 1.00 85.64 C
312
+ ATOM 312 CD ARG A 37 25.849 51.449 2.541 1.00 77.39 C
313
+ ATOM 313 CG ARG A 37 25.153 51.349 3.892 1.00 79.93 C
314
+ ATOM 314 CZ ARG A 37 25.678 50.400 0.308 1.00 67.48 C
315
+ ATOM 315 N ARG A 37 25.399 50.984 6.901 1.00 87.35 N
316
+ ATOM 316 NE ARG A 37 25.284 50.512 1.574 1.00 69.61 N
317
+ ATOM 317 NH1 ARG A 37 26.651 51.167 -0.170 1.00 55.52 N
318
+ ATOM 318 NH2 ARG A 37 25.095 49.514 -0.486 1.00 52.19 N
319
+ ATOM 319 O ARG A 37 22.802 51.504 6.305 1.00 87.51 O
320
+ ATOM 320 C CYS A 38 21.340 53.518 4.356 1.00 89.75 C
321
+ ATOM 321 CA CYS A 38 21.793 53.950 5.746 1.00 90.09 C
322
+ ATOM 322 CB CYS A 38 21.539 55.446 5.932 1.00 89.08 C
323
+ ATOM 323 N CYS A 38 23.203 53.641 5.955 1.00 89.96 N
324
+ ATOM 324 O CYS A 38 21.811 54.053 3.351 1.00 88.41 O
325
+ ATOM 325 SG CYS A 38 22.088 56.084 7.530 1.00 87.61 S
326
+ ATOM 326 C LYS A 39 18.892 53.249 2.554 1.00 90.55 C
327
+ ATOM 327 CA LYS A 39 19.856 52.164 3.027 1.00 90.33 C
328
+ ATOM 328 CB LYS A 39 19.126 50.824 3.133 1.00 89.67 C
329
+ ATOM 329 CD LYS A 39 17.990 48.914 1.953 1.00 86.27 C
330
+ ATOM 330 CE LYS A 39 17.402 48.417 0.638 1.00 83.15 C
331
+ ATOM 331 CG LYS A 39 18.576 50.313 1.810 1.00 87.95 C
332
+ ATOM 332 N LYS A 39 20.461 52.521 4.306 1.00 90.16 N
333
+ ATOM 333 NZ LYS A 39 16.749 47.083 0.793 1.00 78.63 N
334
+ ATOM 334 O LYS A 39 18.012 53.675 3.305 1.00 90.01 O
335
+ ATOM 335 C ASN A 40 16.745 54.487 0.836 1.00 90.96 C
336
+ ATOM 336 CA ASN A 40 18.242 54.787 0.856 1.00 90.56 C
337
+ ATOM 337 CB ASN A 40 18.721 55.189 -0.540 1.00 89.27 C
338
+ ATOM 338 CG ASN A 40 20.061 55.898 -0.516 1.00 84.20 C
339
+ ATOM 339 N ASN A 40 19.010 53.651 1.354 1.00 90.43 N
340
+ ATOM 340 ND2 ASN A 40 20.714 55.973 -1.670 1.00 79.05 N
341
+ ATOM 341 O ASN A 40 15.931 55.345 1.182 1.00 90.32 O
342
+ ATOM 342 OD1 ASN A 40 20.507 56.374 0.532 1.00 79.77 O
343
+ ATOM 343 C GLN A 41 14.750 51.469 0.636 1.00 92.20 C
344
+ ATOM 344 CA GLN A 41 14.957 52.936 0.270 1.00 91.86 C
345
+ ATOM 345 CB GLN A 41 14.450 53.200 -1.148 1.00 90.54 C
346
+ ATOM 346 CD GLN A 41 13.998 54.901 -2.968 1.00 81.38 C
347
+ ATOM 347 CG GLN A 41 14.458 54.671 -1.541 1.00 84.76 C
348
+ ATOM 348 N GLN A 41 16.360 53.316 0.393 1.00 91.57 N
349
+ ATOM 349 NE2 GLN A 41 13.285 56.000 -3.192 1.00 75.60 N
350
+ ATOM 350 O GLN A 41 15.650 50.646 0.458 1.00 91.75 O
351
+ ATOM 351 OE1 GLN A 41 14.282 54.098 -3.863 1.00 79.80 O
352
+ ATOM 352 C ASN A 42 11.663 49.735 1.417 1.00 93.65 C
353
+ ATOM 353 CA ASN A 42 13.184 49.838 1.380 1.00 93.55 C
354
+ ATOM 354 CB ASN A 42 13.783 49.325 2.692 1.00 92.91 C
355
+ ATOM 355 CG ASN A 42 13.696 47.817 2.824 1.00 90.69 C
356
+ ATOM 356 N ASN A 42 13.625 51.203 1.116 1.00 93.40 N
357
+ ATOM 357 ND2 ASN A 42 12.852 47.349 3.735 1.00 87.53 N
358
+ ATOM 358 O ASN A 42 10.972 50.747 1.560 1.00 93.22 O
359
+ ATOM 359 OD1 ASN A 42 14.383 47.079 2.113 1.00 87.60 O
360
+ ATOM 360 C THR A 43 9.448 47.090 2.185 1.00 94.80 C
361
+ ATOM 361 CA THR A 43 9.739 48.319 1.327 1.00 94.70 C
362
+ ATOM 362 CB THR A 43 9.135 48.123 -0.076 1.00 94.06 C
363
+ ATOM 363 CG2 THR A 43 7.628 47.903 -0.000 1.00 91.22 C
364
+ ATOM 364 N THR A 43 11.174 48.572 1.255 1.00 94.49 N
365
+ ATOM 365 O THR A 43 10.060 46.036 1.996 1.00 94.47 O
366
+ ATOM 366 OG1 THR A 43 9.398 49.287 -0.869 1.00 91.76 O
367
+ ATOM 367 C PHE A 44 6.720 45.653 3.425 1.00 95.16 C
368
+ ATOM 368 CA PHE A 44 8.102 46.095 3.891 1.00 95.29 C
369
+ ATOM 369 CB PHE A 44 8.060 46.469 5.377 1.00 94.92 C
370
+ ATOM 370 CD1 PHE A 44 10.289 45.820 6.344 1.00 92.34 C
371
+ ATOM 371 CD2 PHE A 44 9.787 48.145 6.103 1.00 92.01 C
372
+ ATOM 372 CE1 PHE A 44 11.535 46.140 6.879 1.00 91.46 C
373
+ ATOM 373 CE2 PHE A 44 11.030 48.472 6.636 1.00 91.62 C
374
+ ATOM 374 CG PHE A 44 9.405 46.817 5.952 1.00 94.14 C
375
+ ATOM 375 CZ PHE A 44 11.902 47.468 7.024 1.00 90.82 C
376
+ ATOM 376 N PHE A 44 8.583 47.216 3.094 1.00 95.18 N
377
+ ATOM 377 O PHE A 44 5.788 46.457 3.377 1.00 94.75 O
378
+ ATOM 378 C LEU A 45 4.689 43.332 3.984 1.00 95.09 C
379
+ ATOM 379 CA LEU A 45 5.370 43.824 2.712 1.00 95.37 C
380
+ ATOM 380 CB LEU A 45 5.567 42.658 1.740 1.00 95.00 C
381
+ ATOM 381 CD1 LEU A 45 6.580 41.693 -0.341 1.00 91.43 C
382
+ ATOM 382 CD2 LEU A 45 5.534 43.974 -0.398 1.00 90.98 C
383
+ ATOM 383 CG LEU A 45 6.318 42.974 0.445 1.00 93.92 C
384
+ ATOM 384 N LEU A 45 6.649 44.457 3.018 1.00 95.32 N
385
+ ATOM 385 O LEU A 45 5.282 42.578 4.759 1.00 94.52 O
386
+ ATOM 386 C ARG A 46 2.019 41.968 5.129 1.00 94.32 C
387
+ ATOM 387 CA ARG A 46 2.724 43.299 5.370 1.00 94.47 C
388
+ ATOM 388 CB ARG A 46 1.705 44.365 5.778 1.00 93.05 C
389
+ ATOM 389 CD ARG A 46 1.285 46.644 6.764 1.00 82.96 C
390
+ ATOM 390 CG ARG A 46 2.332 45.670 6.243 1.00 86.30 C
391
+ ATOM 391 CZ ARG A 46 1.279 48.795 7.984 1.00 75.17 C
392
+ ATOM 392 N ARG A 46 3.463 43.722 4.184 1.00 94.57 N
393
+ ATOM 393 NE ARG A 46 1.890 47.890 7.224 1.00 78.79 N
394
+ ATOM 394 NH1 ARG A 46 0.027 48.608 8.386 1.00 64.29 N
395
+ ATOM 395 NH2 ARG A 46 1.924 49.895 8.346 1.00 61.40 N
396
+ ATOM 396 O ARG A 46 0.789 41.914 5.063 1.00 93.39 O
397
+ ATOM 397 C THR A 47 3.386 38.637 5.345 1.00 93.68 C
398
+ ATOM 398 CA THR A 47 2.365 39.631 4.800 1.00 93.75 C
399
+ ATOM 399 CB THR A 47 2.138 39.367 3.299 1.00 92.93 C
400
+ ATOM 400 CG2 THR A 47 3.459 39.340 2.540 1.00 88.03 C
401
+ ATOM 401 N THR A 47 2.800 41.003 5.035 1.00 93.91 N
402
+ ATOM 402 O THR A 47 4.359 39.031 5.990 1.00 92.93 O
403
+ ATOM 403 OG1 THR A 47 1.480 38.103 3.137 1.00 88.52 O
404
+ ATOM 404 C THR A 48 4.965 35.905 4.565 1.00 94.04 C
405
+ ATOM 405 CA THR A 48 4.014 36.344 5.673 1.00 93.75 C
406
+ ATOM 406 CB THR A 48 3.242 35.123 6.206 1.00 92.94 C
407
+ ATOM 407 CG2 THR A 48 2.230 35.534 7.271 1.00 88.94 C
408
+ ATOM 408 N THR A 48 3.103 37.377 5.192 1.00 93.63 N
409
+ ATOM 409 O THR A 48 4.666 36.068 3.380 1.00 93.71 O
410
+ ATOM 410 OG1 THR A 48 2.550 34.493 5.123 1.00 90.16 O
411
+ ATOM 411 C PHE A 49 6.333 33.784 3.162 1.00 94.52 C
412
+ ATOM 412 CA PHE A 49 6.988 34.870 4.007 1.00 94.61 C
413
+ ATOM 413 CB PHE A 49 8.220 34.306 4.721 1.00 94.00 C
414
+ ATOM 414 CD1 PHE A 49 10.103 34.663 3.092 1.00 89.82 C
415
+ ATOM 415 CD2 PHE A 49 9.452 32.420 3.607 1.00 89.63 C
416
+ ATOM 416 CE1 PHE A 49 11.084 34.185 2.226 1.00 89.71 C
417
+ ATOM 417 CE2 PHE A 49 10.431 31.935 2.743 1.00 89.94 C
418
+ ATOM 418 CG PHE A 49 9.280 33.787 3.788 1.00 92.49 C
419
+ ATOM 419 CZ PHE A 49 11.244 32.819 2.055 1.00 88.84 C
420
+ ATOM 420 N PHE A 49 6.041 35.418 4.970 1.00 94.31 N
421
+ ATOM 421 O PHE A 49 6.526 33.735 1.945 1.00 94.04 O
422
+ ATOM 422 C ALA A 50 3.930 32.394 1.991 1.00 94.41 C
423
+ ATOM 423 CA ALA A 50 4.824 31.842 3.097 1.00 94.35 C
424
+ ATOM 424 CB ALA A 50 3.999 31.015 4.081 1.00 93.44 C
425
+ ATOM 425 N ALA A 50 5.519 32.920 3.797 1.00 94.32 N
426
+ ATOM 426 O ALA A 50 3.877 31.838 0.891 1.00 93.92 O
427
+ ATOM 427 C ASN A 51 3.198 34.569 0.095 1.00 94.55 C
428
+ ATOM 428 CA ASN A 51 2.393 34.056 1.285 1.00 94.31 C
429
+ ATOM 429 CB ASN A 51 1.567 35.191 1.896 1.00 93.50 C
430
+ ATOM 430 CG ASN A 51 0.411 34.686 2.735 1.00 89.29 C
431
+ ATOM 431 N ASN A 51 3.254 33.450 2.295 1.00 94.20 N
432
+ ATOM 432 ND2 ASN A 51 -0.121 35.548 3.593 1.00 84.82 N
433
+ ATOM 433 O ASN A 51 2.763 34.451 -1.051 1.00 94.22 O
434
+ ATOM 434 OD1 ASN A 51 -0.002 33.529 2.613 1.00 84.74 O
435
+ ATOM 435 C VAL A 52 5.801 34.496 -1.468 1.00 95.68 C
436
+ ATOM 436 CA VAL A 52 5.199 35.664 -0.688 1.00 95.71 C
437
+ ATOM 437 CB VAL A 52 6.320 36.589 -0.163 1.00 95.28 C
438
+ ATOM 438 CG1 VAL A 52 7.181 37.101 -1.317 1.00 93.15 C
439
+ ATOM 439 CG2 VAL A 52 5.724 37.756 0.622 1.00 93.00 C
440
+ ATOM 440 N VAL A 52 4.370 35.156 0.400 1.00 95.61 N
441
+ ATOM 441 O VAL A 52 5.937 34.564 -2.692 1.00 95.32 O
442
+ ATOM 442 C VAL A 53 5.572 31.693 -2.505 1.00 95.25 C
443
+ ATOM 443 CA VAL A 53 6.626 32.198 -1.522 1.00 95.50 C
444
+ ATOM 444 CB VAL A 53 6.999 31.082 -0.521 1.00 94.80 C
445
+ ATOM 445 CG1 VAL A 53 7.283 29.771 -1.254 1.00 88.63 C
446
+ ATOM 446 CG2 VAL A 53 8.205 31.500 0.319 1.00 88.55 C
447
+ ATOM 447 N VAL A 53 6.134 33.389 -0.838 1.00 95.54 N
448
+ ATOM 448 O VAL A 53 5.904 31.244 -3.605 1.00 94.56 O
449
+ ATOM 449 C ASN A 54 3.167 32.110 -4.262 1.00 94.78 C
450
+ ATOM 450 CA ASN A 54 3.222 31.310 -2.964 1.00 94.69 C
451
+ ATOM 451 CB ASN A 54 1.877 31.385 -2.237 1.00 93.55 C
452
+ ATOM 452 CG ASN A 54 1.732 30.321 -1.167 1.00 85.22 C
453
+ ATOM 453 N ASN A 54 4.300 31.773 -2.095 1.00 94.78 N
454
+ ATOM 454 ND2 ASN A 54 0.856 30.568 -0.200 1.00 73.07 N
455
+ ATOM 455 O ASN A 54 2.711 31.604 -5.289 1.00 94.24 O
456
+ ATOM 456 OD1 ASN A 54 2.401 29.285 -1.210 1.00 74.50 O
457
+ ATOM 457 C VAL A 55 4.605 33.613 -6.435 1.00 95.52 C
458
+ ATOM 458 CA VAL A 55 3.635 34.185 -5.403 1.00 95.58 C
459
+ ATOM 459 CB VAL A 55 4.025 35.638 -5.055 1.00 95.14 C
460
+ ATOM 460 CG1 VAL A 55 4.221 36.465 -6.325 1.00 92.84 C
461
+ ATOM 461 CG2 VAL A 55 2.964 36.274 -4.159 1.00 92.77 C
462
+ ATOM 462 N VAL A 55 3.620 33.335 -4.217 1.00 95.53 N
463
+ ATOM 463 O VAL A 55 4.413 33.789 -7.641 1.00 95.08 O
464
+ ATOM 464 C CYS A 56 5.982 31.219 -7.775 1.00 94.38 C
465
+ ATOM 465 CA CYS A 56 6.618 32.297 -6.905 1.00 95.07 C
466
+ ATOM 466 CB CYS A 56 7.769 31.699 -6.096 1.00 94.63 C
467
+ ATOM 467 N CYS A 56 5.629 32.900 -6.017 1.00 95.01 N
468
+ ATOM 468 O CYS A 56 6.597 30.745 -8.731 1.00 93.08 O
469
+ ATOM 469 SG CYS A 56 8.711 32.920 -5.159 1.00 94.44 S
470
+ ATOM 470 C GLY A 57 3.282 30.470 -9.372 1.00 92.94 C
471
+ ATOM 471 CA GLY A 57 4.106 29.851 -8.259 1.00 93.17 C
472
+ ATOM 472 N GLY A 57 4.840 30.832 -7.477 1.00 93.35 N
473
+ ATOM 473 O GLY A 57 2.701 29.755 -10.193 1.00 91.84 O
474
+ ATOM 474 C ASN A 58 3.329 32.396 -11.738 1.00 93.65 C
475
+ ATOM 475 CA ASN A 58 2.535 32.453 -10.437 1.00 93.93 C
476
+ ATOM 476 CB ASN A 58 2.236 33.905 -10.059 1.00 93.43 C
477
+ ATOM 477 CG ASN A 58 1.269 34.020 -8.898 1.00 92.16 C
478
+ ATOM 478 N ASN A 58 3.236 31.775 -9.352 1.00 93.75 N
479
+ ATOM 479 ND2 ASN A 58 1.232 35.189 -8.269 1.00 90.17 N
480
+ ATOM 480 O ASN A 58 4.493 31.994 -11.743 1.00 92.77 O
481
+ ATOM 481 OD1 ASN A 58 0.560 33.065 -8.568 1.00 89.67 O
482
+ ATOM 482 C GLN A 59 4.579 33.679 -14.076 1.00 93.28 C
483
+ ATOM 483 CA GLN A 59 3.327 32.807 -14.087 1.00 93.15 C
484
+ ATOM 484 CB GLN A 59 2.351 33.300 -15.157 1.00 91.70 C
485
+ ATOM 485 CD GLN A 59 1.941 33.779 -17.608 1.00 79.70 C
486
+ ATOM 486 CG GLN A 59 2.926 33.283 -16.568 1.00 84.32 C
487
+ ATOM 487 N GLN A 59 2.685 32.791 -12.776 1.00 93.06 N
488
+ ATOM 488 NE2 GLN A 59 2.309 33.657 -18.879 1.00 73.89 N
489
+ ATOM 489 O GLN A 59 4.550 34.809 -13.586 1.00 92.58 O
490
+ ATOM 490 OE1 GLN A 59 0.857 34.268 -17.274 1.00 78.06 O
491
+ ATOM 491 C SER A 60 6.790 34.987 -15.713 1.00 92.47 C
492
+ ATOM 492 CA SER A 60 6.900 33.845 -14.709 1.00 92.85 C
493
+ ATOM 493 CB SER A 60 8.049 32.916 -15.105 1.00 91.01 C
494
+ ATOM 494 N SER A 60 5.649 33.100 -14.613 1.00 92.79 N
495
+ ATOM 495 O SER A 60 6.151 34.842 -16.757 1.00 91.05 O
496
+ ATOM 496 OG SER A 60 9.273 33.629 -15.169 1.00 74.77 O
497
+ ATOM 497 C ILE A 61 8.861 37.798 -16.339 1.00 91.95 C
498
+ ATOM 498 CA ILE A 61 7.437 37.246 -16.315 1.00 92.21 C
499
+ ATOM 499 CB ILE A 61 6.443 38.345 -15.875 1.00 91.52 C
500
+ ATOM 500 CD1 ILE A 61 5.999 40.081 -14.044 1.00 86.78 C
501
+ ATOM 501 CG1 ILE A 61 6.810 38.870 -14.483 1.00 89.56 C
502
+ ATOM 502 CG2 ILE A 61 5.007 37.814 -15.899 1.00 89.26 C
503
+ ATOM 503 N ILE A 61 7.374 36.085 -15.434 1.00 92.43 N
504
+ ATOM 504 O ILE A 61 9.696 37.415 -15.516 1.00 90.77 O
505
+ ATOM 505 C ARG A 62 10.387 40.460 -16.205 1.00 91.31 C
506
+ ATOM 506 CA ARG A 62 10.376 39.412 -17.312 1.00 91.21 C
507
+ ATOM 507 CB ARG A 62 10.586 40.083 -18.672 1.00 89.40 C
508
+ ATOM 508 CD ARG A 62 12.193 41.178 -20.272 1.00 79.15 C
509
+ ATOM 509 CG ARG A 62 11.960 40.713 -18.841 1.00 81.65 C
510
+ ATOM 510 CZ ARG A 62 14.060 42.104 -21.603 1.00 69.77 C
511
+ ATOM 511 N ARG A 62 9.131 38.651 -17.302 1.00 91.62 N
512
+ ATOM 512 NE ARG A 62 13.515 41.778 -20.435 1.00 74.31 N
513
+ ATOM 513 NH1 ARG A 62 13.405 41.895 -22.740 1.00 63.22 N
514
+ ATOM 514 NH2 ARG A 62 15.270 42.644 -21.637 1.00 60.10 N
515
+ ATOM 515 O ARG A 62 9.407 41.186 -16.022 1.00 90.27 O
516
+ ATOM 516 C CYS A 63 11.590 42.816 -14.809 1.00 90.50 C
517
+ ATOM 517 CA CYS A 63 11.593 41.369 -14.331 1.00 91.94 C
518
+ ATOM 518 CB CYS A 63 12.847 41.099 -13.501 1.00 90.71 C
519
+ ATOM 519 N CYS A 63 11.517 40.447 -15.458 1.00 91.92 N
520
+ ATOM 520 O CYS A 63 12.398 43.196 -15.659 1.00 88.06 O
521
+ ATOM 521 SG CYS A 63 12.905 39.441 -12.788 1.00 91.95 S
522
+ ATOM 522 C PRO A 64 11.774 45.883 -14.477 1.00 88.19 C
523
+ ATOM 523 CA PRO A 64 10.529 45.040 -14.747 1.00 89.48 C
524
+ ATOM 524 CB PRO A 64 9.334 45.559 -13.944 1.00 88.64 C
525
+ ATOM 525 CD PRO A 64 9.460 43.187 -13.421 1.00 87.20 C
526
+ ATOM 526 CG PRO A 64 8.524 44.342 -13.635 1.00 87.69 C
527
+ ATOM 527 N PRO A 64 10.671 43.658 -14.285 1.00 90.01 N
528
+ ATOM 528 O PRO A 64 12.129 46.744 -15.286 1.00 85.83 O
529
+ ATOM 529 C HIS A 65 14.958 45.851 -13.530 1.00 84.88 C
530
+ ATOM 530 CA HIS A 65 13.686 46.471 -12.960 1.00 86.78 C
531
+ ATOM 531 CB HIS A 65 13.813 46.632 -11.445 1.00 83.94 C
532
+ ATOM 532 CD2 HIS A 65 16.088 47.456 -10.509 1.00 66.90 C
533
+ ATOM 533 CE1 HIS A 65 15.741 49.613 -10.699 1.00 64.11 C
534
+ ATOM 534 CG HIS A 65 14.851 47.627 -11.031 1.00 74.22 C
535
+ ATOM 535 N HIS A 65 12.514 45.669 -13.292 1.00 87.81 N
536
+ ATOM 536 ND1 HIS A 65 14.661 48.988 -11.139 1.00 61.17 N
537
+ ATOM 537 NE2 HIS A 65 16.621 48.706 -10.310 1.00 60.76 N
538
+ ATOM 538 O HIS A 65 15.834 46.565 -14.023 1.00 80.36 O
539
+ ATOM 539 C ASN A 66 15.892 42.988 -15.215 1.00 79.97 C
540
+ ATOM 540 CA ASN A 66 16.336 43.875 -14.056 1.00 79.47 C
541
+ ATOM 541 CB ASN A 66 17.076 43.045 -13.005 1.00 75.61 C
542
+ ATOM 542 CG ASN A 66 18.429 42.563 -13.489 1.00 70.79 C
543
+ ATOM 543 N ASN A 66 15.206 44.575 -13.452 1.00 79.47 N
544
+ ATOM 544 ND2 ASN A 66 19.308 42.226 -12.552 1.00 65.84 N
545
+ ATOM 545 O ASN A 66 15.688 41.786 -15.039 1.00 76.30 O
546
+ ATOM 546 OD1 ASN A 66 18.683 42.495 -14.694 1.00 66.66 O
547
+ ATOM 547 C ARG A 67 15.958 41.804 -18.114 1.00 79.24 C
548
+ ATOM 548 CA ARG A 67 15.158 42.974 -17.554 1.00 79.92 C
549
+ ATOM 549 CB ARG A 67 14.961 44.040 -18.633 1.00 73.34 C
550
+ ATOM 550 CD ARG A 67 13.691 46.070 -19.413 1.00 65.90 C
551
+ ATOM 551 CG ARG A 67 13.981 45.136 -18.247 1.00 67.40 C
552
+ ATOM 552 CZ ARG A 67 12.231 48.008 -19.893 1.00 60.64 C
553
+ ATOM 553 N ARG A 67 15.813 43.545 -16.382 1.00 78.97 N
554
+ ATOM 554 NE ARG A 67 12.709 47.090 -19.057 1.00 53.23 N
555
+ ATOM 555 NH1 ARG A 67 12.636 48.051 -21.157 1.00 38.97 N
556
+ ATOM 556 NH2 ARG A 67 11.340 48.890 -19.462 1.00 35.48 N
557
+ ATOM 557 O ARG A 67 15.527 41.150 -19.066 1.00 74.95 O
558
+ ATOM 558 C THR A 68 17.385 39.087 -17.319 1.00 82.10 C
559
+ ATOM 559 CA THR A 68 17.879 40.360 -17.999 1.00 82.99 C
560
+ ATOM 560 CB THR A 68 19.383 40.540 -17.726 1.00 77.85 C
561
+ ATOM 561 CG2 THR A 68 19.917 41.803 -18.395 1.00 64.10 C
562
+ ATOM 562 N THR A 68 17.116 41.517 -17.545 1.00 82.11 N
563
+ ATOM 563 O THR A 68 17.755 37.981 -17.717 1.00 78.46 O
564
+ ATOM 564 OG1 THR A 68 19.598 40.636 -16.312 1.00 66.36 O
565
+ ATOM 565 C LEU A 69 14.565 37.839 -15.978 1.00 84.76 C
566
+ ATOM 566 CA LEU A 69 16.019 38.127 -15.624 1.00 84.21 C
567
+ ATOM 567 CB LEU A 69 16.151 38.375 -14.119 1.00 80.95 C
568
+ ATOM 568 CD1 LEU A 69 17.533 38.923 -12.100 1.00 70.45 C
569
+ ATOM 569 CD2 LEU A 69 18.455 37.410 -13.876 1.00 70.88 C
570
+ ATOM 570 CG LEU A 69 17.567 38.616 -13.593 1.00 75.51 C
571
+ ATOM 571 N LEU A 69 16.521 39.271 -16.377 1.00 83.52 N
572
+ ATOM 572 O LEU A 69 13.780 38.765 -16.201 1.00 82.76 O
573
+ ATOM 573 C ASN A 70 12.321 35.208 -15.287 1.00 88.75 C
574
+ ATOM 574 CA ASN A 70 12.932 36.024 -16.423 1.00 89.01 C
575
+ ATOM 575 CB ASN A 70 12.953 35.204 -17.716 1.00 84.30 C
576
+ ATOM 576 CG ASN A 70 13.330 36.033 -18.926 1.00 74.44 C
577
+ ATOM 577 N ASN A 70 14.274 36.488 -16.090 1.00 88.15 N
578
+ ATOM 578 ND2 ASN A 70 14.068 35.431 -19.852 1.00 66.93 N
579
+ ATOM 579 O ASN A 70 11.512 34.311 -15.528 1.00 85.54 O
580
+ ATOM 580 OD1 ASN A 70 12.962 37.206 -19.031 1.00 66.24 O
581
+ ATOM 581 C ASN A 71 11.430 35.413 -12.067 1.00 93.03 C
582
+ ATOM 582 CA ASN A 71 12.277 34.586 -13.031 1.00 92.51 C
583
+ ATOM 583 CB ASN A 71 13.446 33.935 -12.288 1.00 91.03 C
584
+ ATOM 584 CG ASN A 71 14.316 34.946 -11.568 1.00 88.04 C
585
+ ATOM 585 N ASN A 71 12.765 35.394 -14.144 1.00 92.04 N
586
+ ATOM 586 ND2 ASN A 71 14.966 34.511 -10.495 1.00 85.13 N
587
+ ATOM 587 O ASN A 71 11.400 35.135 -10.866 1.00 92.18 O
588
+ ATOM 588 OD1 ASN A 71 14.403 36.109 -11.973 1.00 84.81 O
589
+ ATOM 589 C CYS A 72 8.469 36.852 -11.787 1.00 94.48 C
590
+ ATOM 590 CA CYS A 72 9.921 37.311 -11.744 1.00 94.56 C
591
+ ATOM 591 CB CYS A 72 10.014 38.776 -12.171 1.00 93.40 C
592
+ ATOM 592 N CYS A 72 10.759 36.475 -12.595 1.00 94.32 N
593
+ ATOM 593 O CYS A 72 8.031 36.254 -12.773 1.00 93.84 O
594
+ ATOM 594 SG CYS A 72 11.478 39.626 -11.543 1.00 82.71 S
595
+ ATOM 595 C HIS A 73 5.618 37.836 -9.818 1.00 94.80 C
596
+ ATOM 596 CA HIS A 73 6.392 36.709 -10.494 1.00 94.92 C
597
+ ATOM 597 CB HIS A 73 6.255 35.419 -9.682 1.00 94.50 C
598
+ ATOM 598 CD2 HIS A 73 8.367 33.965 -10.068 1.00 91.37 C
599
+ ATOM 599 CE1 HIS A 73 7.466 32.440 -11.360 1.00 91.05 C
600
+ ATOM 600 CG HIS A 73 7.061 34.281 -10.223 1.00 93.52 C
601
+ ATOM 601 N HIS A 73 7.797 37.060 -10.661 1.00 94.73 N
602
+ ATOM 602 ND1 HIS A 73 6.522 33.309 -11.038 1.00 91.40 N
603
+ ATOM 603 NE2 HIS A 73 8.595 32.815 -10.784 1.00 91.40 N
604
+ ATOM 604 O HIS A 73 6.100 38.436 -8.856 1.00 94.37 O
605
+ ATOM 605 C ARG A 74 2.566 38.699 -8.827 1.00 94.74 C
606
+ ATOM 606 CA ARG A 74 3.624 39.235 -9.786 1.00 94.72 C
607
+ ATOM 607 CB ARG A 74 2.955 39.996 -10.933 1.00 93.74 C
608
+ ATOM 608 CD ARG A 74 1.481 41.906 -11.655 1.00 85.29 C
609
+ ATOM 609 CG ARG A 74 2.070 41.145 -10.476 1.00 88.69 C
610
+ ATOM 610 CZ ARG A 74 -0.080 43.791 -12.013 1.00 76.73 C
611
+ ATOM 611 N ARG A 74 4.457 38.155 -10.305 1.00 94.67 N
612
+ ATOM 612 NE ARG A 74 0.481 42.878 -11.224 1.00 81.07 N
613
+ ATOM 613 NH1 ARG A 74 0.253 43.874 -13.296 1.00 65.18 N
614
+ ATOM 614 NH2 ARG A 74 -0.980 44.627 -11.516 1.00 62.43 N
615
+ ATOM 615 O ARG A 74 1.968 37.650 -9.078 1.00 94.30 O
616
+ ATOM 616 C SER A 75 -0.148 39.221 -7.505 1.00 94.82 C
617
+ ATOM 617 CA SER A 75 1.218 39.083 -6.840 1.00 95.14 C
618
+ ATOM 618 CB SER A 75 1.273 39.953 -5.584 1.00 94.66 C
619
+ ATOM 619 N SER A 75 2.293 39.443 -7.759 1.00 95.11 N
620
+ ATOM 620 O SER A 75 -0.362 40.129 -8.311 1.00 94.10 O
621
+ ATOM 621 OG SER A 75 0.949 41.299 -5.889 1.00 92.30 O
622
+ ATOM 622 C ARG A 76 -3.254 39.464 -7.051 1.00 93.46 C
623
+ ATOM 623 CA ARG A 76 -2.401 38.393 -7.723 1.00 93.79 C
624
+ ATOM 624 CB ARG A 76 -3.071 37.025 -7.582 1.00 92.23 C
625
+ ATOM 625 CD ARG A 76 -3.194 34.620 -8.320 1.00 78.73 C
626
+ ATOM 626 CG ARG A 76 -2.456 35.944 -8.456 1.00 83.00 C
627
+ ATOM 627 CZ ARG A 76 -2.952 32.295 -9.127 1.00 69.31 C
628
+ ATOM 628 N ARG A 76 -1.055 38.365 -7.159 1.00 94.20 N
629
+ ATOM 629 NE ARG A 76 -2.567 33.568 -9.116 1.00 73.59 N
630
+ ATOM 630 NH1 ARG A 76 -3.972 31.887 -8.382 1.00 58.13 N
631
+ ATOM 631 NH2 ARG A 76 -2.310 31.421 -9.890 1.00 53.54 N
632
+ ATOM 632 O ARG A 76 -4.184 39.997 -7.660 1.00 92.24 O
633
+ ATOM 633 C PHE A 77 -2.737 41.798 -4.462 1.00 93.44 C
634
+ ATOM 634 CA PHE A 77 -3.648 40.712 -5.020 1.00 93.34 C
635
+ ATOM 635 CB PHE A 77 -4.412 40.029 -3.880 1.00 91.96 C
636
+ ATOM 636 CD1 PHE A 77 -6.507 39.153 -4.961 1.00 77.37 C
637
+ ATOM 637 CD2 PHE A 77 -4.911 37.578 -4.130 1.00 77.54 C
638
+ ATOM 638 CE1 PHE A 77 -7.326 38.107 -5.381 1.00 77.19 C
639
+ ATOM 639 CE2 PHE A 77 -5.724 36.529 -4.547 1.00 77.14 C
640
+ ATOM 640 CG PHE A 77 -5.294 38.897 -4.333 1.00 85.06 C
641
+ ATOM 641 CZ PHE A 77 -6.932 36.795 -5.171 1.00 74.42 C
642
+ ATOM 642 N PHE A 77 -2.881 39.732 -5.782 1.00 93.29 N
643
+ ATOM 643 O PHE A 77 -1.541 41.573 -4.267 1.00 92.87 O
644
+ ATOM 644 C ARG A 78 -2.492 43.658 -2.067 1.00 93.86 C
645
+ ATOM 645 CA ARG A 78 -2.669 43.992 -3.545 1.00 94.20 C
646
+ ATOM 646 CB ARG A 78 -3.401 45.326 -3.698 1.00 93.00 C
647
+ ATOM 647 CD ARG A 78 -4.250 47.136 -5.230 1.00 84.74 C
648
+ ATOM 648 CG ARG A 78 -3.491 45.820 -5.133 1.00 87.35 C
649
+ ATOM 649 CZ ARG A 78 -4.992 48.698 -6.997 1.00 77.15 C
650
+ ATOM 650 N ARG A 78 -3.389 42.929 -4.239 1.00 94.20 N
651
+ ATOM 651 NE ARG A 78 -4.393 47.574 -6.616 1.00 81.56 N
652
+ ATOM 652 NH1 ARG A 78 -5.517 49.525 -6.101 1.00 68.03 N
653
+ ATOM 653 NH2 ARG A 78 -5.066 49.000 -8.286 1.00 66.21 N
654
+ ATOM 654 O ARG A 78 -3.356 43.022 -1.461 1.00 92.99 O
655
+ ATOM 655 C VAL A 79 -0.723 45.135 0.452 1.00 94.20 C
656
+ ATOM 656 CA VAL A 79 -1.092 43.806 -0.201 1.00 94.13 C
657
+ ATOM 657 CB VAL A 79 0.029 42.766 0.031 1.00 92.81 C
658
+ ATOM 658 CG1 VAL A 79 -0.381 41.399 -0.512 1.00 77.00 C
659
+ ATOM 659 CG2 VAL A 79 1.331 43.235 -0.616 1.00 77.05 C
660
+ ATOM 660 N VAL A 79 -1.348 44.008 -1.624 1.00 94.19 N
661
+ ATOM 661 O VAL A 79 -0.144 46.012 -0.193 1.00 93.58 O
662
+ ATOM 662 C PRO A 80 0.884 46.455 2.537 1.00 94.11 C
663
+ ATOM 663 CA PRO A 80 -0.637 46.496 2.420 1.00 94.03 C
664
+ ATOM 664 CB PRO A 80 -1.294 46.416 3.800 1.00 93.12 C
665
+ ATOM 665 CD PRO A 80 -2.059 44.525 2.475 1.00 88.00 C
666
+ ATOM 666 CG PRO A 80 -2.387 45.407 3.645 1.00 89.71 C
667
+ ATOM 667 N PRO A 80 -1.183 45.331 1.718 1.00 93.95 N
668
+ ATOM 668 O PRO A 80 1.462 45.384 2.740 1.00 93.68 O
669
+ ATOM 669 C LEU A 81 3.440 49.008 3.035 1.00 94.18 C
670
+ ATOM 670 CA LEU A 81 3.026 47.661 2.450 1.00 94.27 C
671
+ ATOM 671 CB LEU A 81 3.689 47.458 1.086 1.00 93.50 C
672
+ ATOM 672 CD1 LEU A 81 4.053 49.726 0.079 1.00 83.22 C
673
+ ATOM 673 CD2 LEU A 81 3.463 47.781 -1.393 1.00 82.79 C
674
+ ATOM 674 CG LEU A 81 3.268 48.422 -0.023 1.00 89.90 C
675
+ ATOM 675 N LEU A 81 1.575 47.571 2.332 1.00 94.21 N
676
+ ATOM 676 O LEU A 81 2.626 49.930 3.118 1.00 93.60 O
677
+ ATOM 677 C LEU A 82 6.516 50.616 3.266 1.00 94.18 C
678
+ ATOM 678 CA LEU A 82 5.233 50.294 4.025 1.00 94.28 C
679
+ ATOM 679 CB LEU A 82 5.532 50.151 5.520 1.00 93.69 C
680
+ ATOM 680 CD1 LEU A 82 5.133 52.527 6.212 1.00 88.75 C
681
+ ATOM 681 CD2 LEU A 82 6.559 51.031 7.635 1.00 88.41 C
682
+ ATOM 682 CG LEU A 82 6.132 51.376 6.212 1.00 91.97 C
683
+ ATOM 683 N LEU A 82 4.615 49.077 3.509 1.00 94.27 N
684
+ ATOM 684 O LEU A 82 7.497 49.873 3.355 1.00 93.57 O
685
+ ATOM 685 C HIS A 83 8.407 53.121 2.632 1.00 94.13 C
686
+ ATOM 686 CA HIS A 83 7.632 52.124 1.778 1.00 94.14 C
687
+ ATOM 687 CB HIS A 83 7.231 52.770 0.451 1.00 92.85 C
688
+ ATOM 688 CD2 HIS A 83 8.957 54.321 -0.710 1.00 70.59 C
689
+ ATOM 689 CE1 HIS A 83 10.078 52.782 -1.795 1.00 72.47 C
690
+ ATOM 690 CG HIS A 83 8.394 53.124 -0.420 1.00 83.94 C
691
+ ATOM 691 N HIS A 83 6.453 51.632 2.483 1.00 94.14 N
692
+ ATOM 692 ND1 HIS A 83 9.118 52.179 -1.115 1.00 67.55 N
693
+ ATOM 693 NE2 HIS A 83 10.002 54.081 -1.567 1.00 70.05 N
694
+ ATOM 694 O HIS A 83 7.823 54.048 3.198 1.00 93.52 O
695
+ ATOM 695 C CYS A 84 11.582 54.522 2.657 1.00 93.37 C
696
+ ATOM 696 CA CYS A 84 10.588 53.760 3.524 1.00 93.87 C
697
+ ATOM 697 CB CYS A 84 11.338 52.893 4.535 1.00 93.29 C
698
+ ATOM 698 N CYS A 84 9.703 52.939 2.705 1.00 93.83 N
699
+ ATOM 699 O CYS A 84 12.368 53.916 1.927 1.00 92.41 O
700
+ ATOM 700 SG CYS A 84 10.266 52.107 5.757 1.00 92.27 S
701
+ ATOM 701 C ASP A 85 13.436 57.467 3.006 1.00 93.15 C
702
+ ATOM 702 CA ASP A 85 12.525 56.695 2.055 1.00 93.13 C
703
+ ATOM 703 CB ASP A 85 11.764 57.667 1.151 1.00 91.87 C
704
+ ATOM 704 CG ASP A 85 11.026 56.972 0.021 1.00 85.61 C
705
+ ATOM 705 N ASP A 85 11.594 55.846 2.793 1.00 93.29 N
706
+ ATOM 706 O ASP A 85 12.959 58.137 3.925 1.00 92.47 O
707
+ ATOM 707 OD1 ASP A 85 11.627 56.119 -0.667 1.00 78.19 O
708
+ ATOM 708 OD2 ASP A 85 9.832 57.281 -0.185 1.00 82.08 O
709
+ ATOM 709 C LEU A 86 15.408 59.533 3.347 1.00 91.92 C
710
+ ATOM 710 CA LEU A 86 15.622 58.036 3.536 1.00 92.17 C
711
+ ATOM 711 CB LEU A 86 17.055 57.660 3.148 1.00 91.45 C
712
+ ATOM 712 CD1 LEU A 86 18.116 57.705 5.419 1.00 86.62 C
713
+ ATOM 713 CD2 LEU A 86 19.531 58.004 3.368 1.00 86.58 C
714
+ ATOM 714 CG LEU A 86 18.170 58.266 4.002 1.00 89.68 C
715
+ ATOM 715 N LEU A 86 14.662 57.270 2.748 1.00 92.11 N
716
+ ATOM 716 O LEU A 86 15.348 60.019 2.215 1.00 90.98 O
717
+ ATOM 717 C ILE A 87 16.131 62.549 4.590 1.00 91.27 C
718
+ ATOM 718 CA ILE A 87 14.886 61.704 4.331 1.00 92.12 C
719
+ ATOM 719 CB ILE A 87 13.754 62.106 5.303 1.00 90.74 C
720
+ ATOM 720 CD1 ILE A 87 13.178 62.314 7.791 1.00 74.98 C
721
+ ATOM 721 CG1 ILE A 87 14.154 61.788 6.749 1.00 78.77 C
722
+ ATOM 722 CG2 ILE A 87 12.446 61.401 4.931 1.00 77.16 C
723
+ ATOM 723 N ILE A 87 15.217 60.288 4.453 1.00 92.69 N
724
+ ATOM 724 O ILE A 87 16.140 63.752 4.319 1.00 88.94 O
725
+ ATOM 725 C ASN A 88 19.563 62.018 4.801 1.00 88.76 C
726
+ ATOM 726 CA ASN A 88 18.396 62.715 5.495 1.00 89.46 C
727
+ ATOM 727 CB ASN A 88 18.674 62.854 6.993 1.00 88.36 C
728
+ ATOM 728 CG ASN A 88 18.691 61.518 7.709 1.00 86.83 C
729
+ ATOM 729 N ASN A 88 17.140 62.008 5.270 1.00 90.12 N
730
+ ATOM 730 ND2 ASN A 88 19.408 61.453 8.825 1.00 84.33 N
731
+ ATOM 731 O ASN A 88 20.421 61.429 5.461 1.00 86.03 O
732
+ ATOM 732 OD1 ASN A 88 18.065 60.553 7.264 1.00 84.23 O
733
+ ATOM 733 C PRO A 89 22.074 62.293 3.102 1.00 80.63 C
734
+ ATOM 734 CA PRO A 89 20.757 61.667 2.649 1.00 81.43 C
735
+ ATOM 735 CB PRO A 89 20.436 62.055 1.204 1.00 78.83 C
736
+ ATOM 736 CD PRO A 89 18.792 63.060 2.688 1.00 77.17 C
737
+ ATOM 737 CG PRO A 89 19.401 63.128 1.318 1.00 77.11 C
738
+ ATOM 738 N PRO A 89 19.604 62.172 3.398 1.00 83.22 N
739
+ ATOM 739 O PRO A 89 22.111 63.473 3.456 1.00 75.40 O
740
+ ATOM 740 C GLY A 90 24.559 61.582 5.622 1.00 76.31 C
741
+ ATOM 741 CA GLY A 90 24.306 61.918 4.164 1.00 75.99 C
742
+ ATOM 742 N GLY A 90 22.985 61.520 3.706 1.00 76.86 N
743
+ ATOM 743 O GLY A 90 25.631 61.875 6.156 1.00 73.32 O
744
+ ATOM 744 C ALA A 91 24.826 59.670 7.672 1.00 77.03 C
745
+ ATOM 745 CA ALA A 91 23.647 60.633 7.574 1.00 78.22 C
746
+ ATOM 746 CB ALA A 91 22.382 59.978 8.125 1.00 75.68 C
747
+ ATOM 747 N ALA A 91 23.436 61.066 6.195 1.00 79.88 N
748
+ ATOM 748 O ALA A 91 24.947 58.741 6.869 1.00 72.04 O
749
+ ATOM 749 C GLN A 92 27.000 58.109 9.582 1.00 71.60 C
750
+ ATOM 750 CA GLN A 92 27.159 59.260 8.593 1.00 72.43 C
751
+ ATOM 751 CB GLN A 92 28.315 60.165 9.022 1.00 67.87 C
752
+ ATOM 752 CD GLN A 92 30.118 61.720 8.161 1.00 61.10 C
753
+ ATOM 753 CG GLN A 92 28.704 61.203 7.977 1.00 62.47 C
754
+ ATOM 754 N GLN A 92 25.924 60.027 8.477 1.00 73.36 N
755
+ ATOM 755 NE2 GLN A 92 30.591 62.508 7.201 1.00 51.57 N
756
+ ATOM 756 O GLN A 92 27.668 57.080 9.458 1.00 67.36 O
757
+ ATOM 757 OE1 GLN A 92 30.780 61.416 9.159 1.00 60.51 O
758
+ ATOM 758 C ASN A 93 24.557 56.642 11.434 1.00 83.06 C
759
+ ATOM 759 CA ASN A 93 25.901 57.344 11.610 1.00 82.23 C
760
+ ATOM 760 CB ASN A 93 25.996 57.971 13.001 1.00 79.49 C
761
+ ATOM 761 CG ASN A 93 26.073 56.934 14.105 1.00 72.46 C
762
+ ATOM 762 N ASN A 93 26.117 58.352 10.577 1.00 82.37 N
763
+ ATOM 763 ND2 ASN A 93 26.427 57.374 15.307 1.00 67.03 N
764
+ ATOM 764 O ASN A 93 23.543 57.290 11.167 1.00 80.99 O
765
+ ATOM 765 OD1 ASN A 93 25.818 55.748 13.879 1.00 67.56 O
766
+ ATOM 766 C ILE A 94 22.232 54.947 12.331 1.00 85.68 C
767
+ ATOM 767 CA ILE A 94 23.320 54.502 11.356 1.00 85.68 C
768
+ ATOM 768 CB ILE A 94 23.626 52.999 11.546 1.00 82.92 C
769
+ ATOM 769 CD1 ILE A 94 25.313 51.209 10.827 1.00 66.71 C
770
+ ATOM 770 CG1 ILE A 94 24.616 52.517 10.478 1.00 69.58 C
771
+ ATOM 771 CG2 ILE A 94 22.336 52.176 11.507 1.00 68.91 C
772
+ ATOM 772 N ILE A 94 24.515 55.318 11.546 1.00 85.60 N
773
+ ATOM 773 O ILE A 94 21.044 54.908 12.003 1.00 83.47 O
774
+ ATOM 774 C SER A 95 21.060 57.153 13.989 1.00 85.12 C
775
+ ATOM 775 CA SER A 95 21.806 55.900 14.434 1.00 84.82 C
776
+ ATOM 776 CB SER A 95 22.512 56.163 15.765 1.00 82.76 C
777
+ ATOM 777 N SER A 95 22.767 55.468 13.423 1.00 85.12 N
778
+ ATOM 778 O SER A 95 20.006 57.481 14.537 1.00 83.33 O
779
+ ATOM 779 OG SER A 95 23.508 57.160 15.618 1.00 74.37 O
780
+ ATOM 780 C ASN A 96 20.089 58.826 11.313 1.00 88.37 C
781
+ ATOM 781 CA ASN A 96 20.954 58.999 12.558 1.00 87.66 C
782
+ ATOM 782 CB ASN A 96 22.043 60.046 12.306 1.00 85.59 C
783
+ ATOM 783 CG ASN A 96 22.737 60.483 13.580 1.00 78.63 C
784
+ ATOM 784 N ASN A 96 21.546 57.735 12.981 1.00 87.65 N
785
+ ATOM 785 ND2 ASN A 96 23.956 60.994 13.446 1.00 71.17 N
786
+ ATOM 786 O ASN A 96 19.552 59.801 10.784 1.00 87.03 O
787
+ ATOM 787 OD1 ASN A 96 22.184 60.364 14.676 1.00 72.90 O
788
+ ATOM 788 C CYS A 97 17.653 57.600 9.995 1.00 90.57 C
789
+ ATOM 789 CA CYS A 97 19.120 57.310 9.704 1.00 90.70 C
790
+ ATOM 790 CB CYS A 97 19.282 55.864 9.237 1.00 89.42 C
791
+ ATOM 791 N CYS A 97 19.946 57.564 10.880 1.00 90.33 N
792
+ ATOM 792 O CYS A 97 17.075 57.027 10.921 1.00 89.47 O
793
+ ATOM 793 SG CYS A 97 21.001 55.365 8.997 1.00 86.46 S
794
+ ATOM 794 C ARG A 98 14.876 58.604 8.063 1.00 92.85 C
795
+ ATOM 795 CA ARG A 98 15.632 58.840 9.366 1.00 92.52 C
796
+ ATOM 796 CB ARG A 98 15.480 60.299 9.802 1.00 91.17 C
797
+ ATOM 797 CD ARG A 98 15.812 62.034 11.597 1.00 79.96 C
798
+ ATOM 798 CG ARG A 98 16.087 60.601 11.164 1.00 83.54 C
799
+ ATOM 799 CZ ARG A 98 16.171 63.432 13.605 1.00 70.83 C
800
+ ATOM 800 N ARG A 98 17.042 58.491 9.225 1.00 92.44 N
801
+ ATOM 801 NE ARG A 98 16.384 62.318 12.911 1.00 74.66 N
802
+ ATOM 802 NH1 ARG A 98 15.391 64.394 13.122 1.00 55.50 N
803
+ ATOM 803 NH2 ARG A 98 16.741 63.588 14.791 1.00 52.03 N
804
+ ATOM 804 O ARG A 98 15.343 58.989 6.990 1.00 92.38 O
805
+ ATOM 805 C TYR A 99 11.563 58.132 7.098 1.00 92.77 C
806
+ ATOM 806 CA TYR A 99 12.993 57.609 7.048 1.00 93.06 C
807
+ ATOM 807 CB TYR A 99 12.988 56.084 6.912 1.00 92.77 C
808
+ ATOM 808 CD1 TYR A 99 14.786 55.169 5.392 1.00 91.52 C
809
+ ATOM 809 CD2 TYR A 99 15.221 55.249 7.739 1.00 91.31 C
810
+ ATOM 810 CE1 TYR A 99 16.044 54.620 5.171 1.00 91.14 C
811
+ ATOM 811 CE2 TYR A 99 16.482 54.701 7.530 1.00 91.28 C
812
+ ATOM 812 CG TYR A 99 14.355 55.490 6.677 1.00 92.65 C
813
+ ATOM 813 CZ TYR A 99 16.884 54.390 6.244 1.00 91.21 C
814
+ ATOM 814 N TYR A 99 13.739 58.016 8.233 1.00 92.79 N
815
+ ATOM 815 O TYR A 99 10.962 58.212 8.172 1.00 92.06 O
816
+ ATOM 816 OH TYR A 99 18.132 53.847 6.030 1.00 87.56 O
817
+ ATOM 817 C ALA A 100 8.805 57.520 5.656 1.00 93.59 C
818
+ ATOM 818 CA ALA A 100 9.622 58.800 5.801 1.00 93.44 C
819
+ ATOM 819 CB ALA A 100 9.392 59.714 4.599 1.00 92.58 C
820
+ ATOM 820 N ALA A 100 11.044 58.502 5.950 1.00 93.47 N
821
+ ATOM 821 O ALA A 100 9.215 56.590 4.956 1.00 93.15 O
822
+ ATOM 822 C ASP A 101 5.740 56.672 4.991 1.00 93.00 C
823
+ ATOM 823 CA ASP A 101 6.705 56.436 6.151 1.00 93.60 C
824
+ ATOM 824 CB ASP A 101 5.927 56.287 7.460 1.00 92.67 C
825
+ ATOM 825 CG ASP A 101 6.816 55.937 8.640 1.00 89.56 C
826
+ ATOM 826 N ASP A 101 7.676 57.521 6.254 1.00 93.59 N
827
+ ATOM 827 O ASP A 101 5.016 57.670 4.971 1.00 91.72 O
828
+ ATOM 828 OD1 ASP A 101 7.976 55.522 8.429 1.00 85.58 O
829
+ ATOM 829 OD2 ASP A 101 6.350 56.075 9.793 1.00 87.08 O
830
+ ATOM 830 C ARG A 102 3.962 54.526 2.897 1.00 93.30 C
831
+ ATOM 831 CA ARG A 102 4.792 55.800 3.012 1.00 93.27 C
832
+ ATOM 832 CB ARG A 102 5.552 56.049 1.707 1.00 91.95 C
833
+ ATOM 833 CD ARG A 102 6.798 57.725 0.299 1.00 80.72 C
834
+ ATOM 834 CG ARG A 102 6.370 57.331 1.706 1.00 85.20 C
835
+ ATOM 835 CZ ARG A 102 7.638 59.798 -0.754 1.00 72.21 C
836
+ ATOM 836 N ARG A 102 5.718 55.723 4.137 1.00 93.39 N
837
+ ATOM 837 NE ARG A 102 7.535 58.986 0.294 1.00 75.95 N
838
+ ATOM 838 NH1 ARG A 102 7.051 59.497 -1.907 1.00 57.94 N
839
+ ATOM 839 NH2 ARG A 102 8.334 60.922 -0.650 1.00 54.29 N
840
+ ATOM 840 O ARG A 102 4.292 53.632 2.115 1.00 92.52 O
841
+ ATOM 841 C PRO A 103 1.240 53.286 2.271 1.00 92.70 C
842
+ ATOM 842 CA PRO A 103 2.017 53.346 3.584 1.00 92.89 C
843
+ ATOM 843 CB PRO A 103 1.067 53.517 4.772 1.00 91.86 C
844
+ ATOM 844 CD PRO A 103 2.296 55.611 4.629 1.00 87.41 C
845
+ ATOM 845 CG PRO A 103 0.971 54.996 4.973 1.00 88.90 C
846
+ ATOM 846 N PRO A 103 2.887 54.520 3.674 1.00 92.66 N
847
+ ATOM 847 O PRO A 103 0.978 54.323 1.656 1.00 91.94 O
848
+ ATOM 848 C GLY A 104 -0.332 50.381 0.551 1.00 92.64 C
849
+ ATOM 849 CA GLY A 104 0.114 51.821 0.721 1.00 92.38 C
850
+ ATOM 850 N GLY A 104 0.912 52.034 1.918 1.00 92.51 N
851
+ ATOM 851 O GLY A 104 0.001 49.521 1.369 1.00 91.96 O
852
+ ATOM 852 C ARG A 105 -1.352 48.755 -2.376 1.00 93.62 C
853
+ ATOM 853 CA ARG A 105 -1.600 48.948 -0.884 1.00 93.93 C
854
+ ATOM 854 CB ARG A 105 -3.088 48.770 -0.572 1.00 92.07 C
855
+ ATOM 855 CD ARG A 105 -4.998 47.179 -0.174 1.00 78.25 C
856
+ ATOM 856 CG ARG A 105 -3.572 47.333 -0.684 1.00 81.90 C
857
+ ATOM 857 CZ ARG A 105 -5.979 45.207 0.950 1.00 70.49 C
858
+ ATOM 858 N ARG A 105 -1.136 50.259 -0.440 1.00 93.93 N
859
+ ATOM 859 NE ARG A 105 -5.396 45.776 -0.101 1.00 73.89 N
860
+ ATOM 860 NH1 ARG A 105 -6.247 45.914 2.043 1.00 57.02 N
861
+ ATOM 861 NH2 ARG A 105 -6.298 43.921 0.910 1.00 53.26 N
862
+ ATOM 862 O ARG A 105 -1.930 49.463 -3.203 1.00 92.56 O
863
+ ATOM 863 C ARG A 106 0.208 46.214 -4.428 1.00 94.23 C
864
+ ATOM 864 CA ARG A 106 0.006 47.678 -4.052 1.00 93.99 C
865
+ ATOM 865 CB ARG A 106 1.305 48.457 -4.264 1.00 92.83 C
866
+ ATOM 866 CD ARG A 106 2.491 50.679 -4.250 1.00 82.12 C
867
+ ATOM 867 CG ARG A 106 1.188 49.945 -3.973 1.00 86.23 C
868
+ ATOM 868 CZ ARG A 106 3.325 53.006 -4.190 1.00 75.07 C
869
+ ATOM 869 N ARG A 106 -0.449 47.806 -2.671 1.00 93.89 N
870
+ ATOM 870 NE ARG A 106 2.390 52.099 -3.921 1.00 78.19 N
871
+ ATOM 871 NH1 ARG A 106 4.453 52.659 -4.798 1.00 62.63 N
872
+ ATOM 872 NH2 ARG A 106 3.131 54.271 -3.845 1.00 58.98 N
873
+ ATOM 873 O ARG A 106 0.342 45.355 -3.554 1.00 93.81 O
874
+ ATOM 874 C PHE A 107 2.327 44.763 -6.143 1.00 94.53 C
875
+ ATOM 875 CA PHE A 107 0.807 44.716 -6.237 1.00 94.70 C
876
+ ATOM 876 CB PHE A 107 0.377 44.473 -7.687 1.00 93.98 C
877
+ ATOM 877 CD1 PHE A 107 -1.761 43.147 -7.686 1.00 87.16 C
878
+ ATOM 878 CD2 PHE A 107 -1.864 45.474 -8.223 1.00 87.02 C
879
+ ATOM 879 CE1 PHE A 107 -3.139 43.042 -7.854 1.00 87.50 C
880
+ ATOM 880 CE2 PHE A 107 -3.242 45.378 -8.392 1.00 87.52 C
881
+ ATOM 881 CG PHE A 107 -1.112 44.363 -7.869 1.00 91.58 C
882
+ ATOM 882 CZ PHE A 107 -3.878 44.160 -8.208 1.00 86.16 C
883
+ ATOM 883 N PHE A 107 0.219 45.949 -5.728 1.00 94.50 N
884
+ ATOM 884 O PHE A 107 2.919 45.843 -6.108 1.00 94.03 O
885
+ ATOM 885 C TYR A 108 4.902 42.452 -6.952 1.00 94.77 C
886
+ ATOM 886 CA TYR A 108 4.398 43.565 -6.043 1.00 94.80 C
887
+ ATOM 887 CB TYR A 108 4.918 43.352 -4.618 1.00 94.52 C
888
+ ATOM 888 CD1 TYR A 108 3.223 41.974 -3.349 1.00 93.16 C
889
+ ATOM 889 CD2 TYR A 108 5.253 40.921 -4.037 1.00 92.98 C
890
+ ATOM 890 CE1 TYR A 108 2.794 40.785 -2.769 1.00 92.29 C
891
+ ATOM 891 CE2 TYR A 108 4.834 39.726 -3.461 1.00 92.46 C
892
+ ATOM 892 CG TYR A 108 4.457 42.059 -3.991 1.00 94.19 C
893
+ ATOM 893 CZ TYR A 108 3.605 39.668 -2.829 1.00 91.97 C
894
+ ATOM 894 N TYR A 108 2.941 43.628 -6.052 1.00 94.60 N
895
+ ATOM 895 O TYR A 108 4.158 41.525 -7.280 1.00 94.40 O
896
+ ATOM 896 OH TYR A 108 3.187 38.488 -2.256 1.00 89.82 O
897
+ ATOM 897 C VAL A 109 8.070 41.191 -7.524 1.00 94.68 C
898
+ ATOM 898 CA VAL A 109 6.806 41.652 -8.246 1.00 94.60 C
899
+ ATOM 899 CB VAL A 109 7.167 42.239 -9.629 1.00 94.00 C
900
+ ATOM 900 CG1 VAL A 109 7.934 41.217 -10.466 1.00 92.01 C
901
+ ATOM 901 CG2 VAL A 109 5.906 42.694 -10.360 1.00 91.93 C
902
+ ATOM 902 N VAL A 109 6.091 42.620 -7.422 1.00 94.45 N
903
+ ATOM 903 O VAL A 109 8.860 42.014 -7.054 1.00 94.35 O
904
+ ATOM 904 C VAL A 110 10.182 38.443 -7.771 1.00 94.78 C
905
+ ATOM 905 CA VAL A 110 9.432 39.333 -6.783 1.00 94.94 C
906
+ ATOM 906 CB VAL A 110 9.066 38.530 -5.515 1.00 94.35 C
907
+ ATOM 907 CG1 VAL A 110 8.507 39.455 -4.433 1.00 90.58 C
908
+ ATOM 908 CG2 VAL A 110 8.064 37.428 -5.850 1.00 90.43 C
909
+ ATOM 909 N VAL A 110 8.245 39.891 -7.424 1.00 94.91 N
910
+ ATOM 910 O VAL A 110 9.571 37.808 -8.633 1.00 94.25 O
911
+ ATOM 911 C ALA A 111 12.410 36.182 -7.463 1.00 94.57 C
912
+ ATOM 912 CA ALA A 111 12.296 37.444 -8.313 1.00 94.51 C
913
+ ATOM 913 CB ALA A 111 13.684 38.007 -8.612 1.00 93.71 C
914
+ ATOM 914 N ALA A 111 11.471 38.451 -7.651 1.00 94.46 N
915
+ ATOM 915 O ALA A 111 12.618 36.259 -6.251 1.00 94.16 O
916
+ ATOM 916 C CYS A 112 13.320 32.890 -7.918 1.00 94.55 C
917
+ ATOM 917 CA CYS A 112 12.227 33.801 -7.372 1.00 95.11 C
918
+ ATOM 918 CB CYS A 112 10.870 33.106 -7.483 1.00 94.63 C
919
+ ATOM 919 N CYS A 112 12.209 35.076 -8.080 1.00 95.09 N
920
+ ATOM 920 O CYS A 112 13.654 32.954 -9.102 1.00 93.67 O
921
+ ATOM 921 SG CYS A 112 9.513 34.036 -6.735 1.00 94.46 S
922
+ ATOM 922 C ASP A 113 14.844 29.908 -6.525 1.00 94.11 C
923
+ ATOM 923 CA ASP A 113 14.938 31.162 -7.393 1.00 94.08 C
924
+ ATOM 924 CB ASP A 113 16.330 31.786 -7.264 1.00 92.73 C
925
+ ATOM 925 CG ASP A 113 17.342 31.185 -8.223 1.00 85.09 C
926
+ ATOM 926 N ASP A 113 13.907 32.128 -7.032 1.00 94.29 N
927
+ ATOM 927 O ASP A 113 14.147 29.902 -5.508 1.00 93.45 O
928
+ ATOM 928 OD1 ASP A 113 17.093 30.083 -8.760 1.00 78.34 O
929
+ ATOM 929 OD2 ASP A 113 18.397 31.816 -8.443 1.00 82.52 O
930
+ ATOM 930 C ASN A 114 16.310 28.018 -4.823 1.00 94.39 C
931
+ ATOM 931 CA ASN A 114 15.734 27.724 -6.206 1.00 94.27 C
932
+ ATOM 932 CB ASN A 114 16.578 26.664 -6.918 1.00 93.22 C
933
+ ATOM 933 CG ASN A 114 15.916 26.138 -8.176 1.00 89.00 C
934
+ ATOM 934 N ASN A 114 15.641 28.933 -7.017 1.00 94.15 N
935
+ ATOM 935 ND2 ASN A 114 16.726 25.761 -9.159 1.00 86.39 N
936
+ ATOM 936 O ASN A 114 17.219 28.839 -4.687 1.00 93.92 O
937
+ ATOM 937 OD1 ASN A 114 14.688 26.072 -8.265 1.00 85.90 O
938
+ ATOM 938 C ARG A 115 17.646 27.271 -2.308 1.00 93.73 C
939
+ ATOM 939 CA ARG A 115 16.172 27.624 -2.475 1.00 94.21 C
940
+ ATOM 940 CB ARG A 115 15.320 26.785 -1.521 1.00 92.91 C
941
+ ATOM 941 CD ARG A 115 14.813 24.508 -0.569 1.00 84.25 C
942
+ ATOM 942 CG ARG A 115 15.531 25.286 -1.663 1.00 87.26 C
943
+ ATOM 943 CZ ARG A 115 16.104 22.418 -0.289 1.00 77.67 C
944
+ ATOM 944 N ARG A 115 15.740 27.428 -3.856 1.00 94.22 N
945
+ ATOM 945 NE ARG A 115 15.021 23.069 -0.704 1.00 81.33 N
946
+ ATOM 946 NH1 ARG A 115 17.102 23.068 0.300 1.00 72.15 N
947
+ ATOM 947 NH2 ARG A 115 16.190 21.107 -0.462 1.00 69.51 N
948
+ ATOM 948 O ARG A 115 18.186 26.464 -3.068 1.00 92.60 O
949
+ ATOM 949 C ASP A 116 19.419 26.238 0.084 1.00 93.09 C
950
+ ATOM 950 CA ASP A 116 19.574 27.439 -0.847 1.00 93.22 C
951
+ ATOM 951 CB ASP A 116 20.266 28.589 -0.112 1.00 91.67 C
952
+ ATOM 952 CG ASP A 116 21.727 28.305 0.191 1.00 83.67 C
953
+ ATOM 953 N ASP A 116 18.280 27.870 -1.368 1.00 93.37 N
954
+ ATOM 954 O ASP A 116 18.431 26.136 0.814 1.00 92.09 O
955
+ ATOM 955 OD1 ASP A 116 22.017 27.441 1.045 1.00 78.51 O
956
+ ATOM 956 OD2 ASP A 116 22.596 28.955 -0.430 1.00 82.10 O
957
+ ATOM 957 C PRO A 117 20.154 24.660 2.448 1.00 92.09 C
958
+ ATOM 958 CA PRO A 117 20.391 24.252 0.996 1.00 92.50 C
959
+ ATOM 959 CB PRO A 117 21.759 23.583 0.834 1.00 91.32 C
960
+ ATOM 960 CD PRO A 117 21.708 25.333 -0.853 1.00 87.94 C
961
+ ATOM 961 CG PRO A 117 22.201 23.949 -0.546 1.00 88.94 C
962
+ ATOM 962 N PRO A 117 20.469 25.400 0.091 1.00 92.49 N
963
+ ATOM 963 O PRO A 117 19.599 23.883 3.229 1.00 90.93 O
964
+ ATOM 964 C ARG A 118 18.939 26.869 4.516 1.00 91.83 C
965
+ ATOM 965 CA ARG A 118 20.362 26.379 4.272 1.00 92.15 C
966
+ ATOM 966 CB ARG A 118 21.359 27.503 4.560 1.00 91.00 C
967
+ ATOM 967 CD ARG A 118 23.766 28.224 4.741 1.00 86.41 C
968
+ ATOM 968 CG ARG A 118 22.811 27.050 4.578 1.00 87.73 C
969
+ ATOM 969 CZ ARG A 118 24.513 30.176 3.421 1.00 80.23 C
970
+ ATOM 970 N ARG A 118 20.522 25.888 2.907 1.00 92.31 N
971
+ ATOM 971 NE ARG A 118 23.814 29.052 3.540 1.00 83.04 N
972
+ ATOM 972 NH1 ARG A 118 25.241 30.632 4.435 1.00 77.05 N
973
+ ATOM 973 NH2 ARG A 118 24.485 30.852 2.282 1.00 75.37 N
974
+ ATOM 974 O ARG A 118 18.547 27.109 5.658 1.00 90.54 O
975
+ ATOM 975 C ASP A 119 15.835 26.249 3.947 1.00 92.54 C
976
+ ATOM 976 CA ASP A 119 16.733 27.421 3.561 1.00 93.12 C
977
+ ATOM 977 CB ASP A 119 16.228 28.069 2.270 1.00 92.43 C
978
+ ATOM 978 CG ASP A 119 16.959 29.354 1.925 1.00 91.05 C
979
+ ATOM 979 N ASP A 119 18.120 26.994 3.411 1.00 93.00 N
980
+ ATOM 980 O ASP A 119 16.230 25.089 3.818 1.00 91.29 O
981
+ ATOM 981 OD1 ASP A 119 17.390 30.077 2.848 1.00 89.32 O
982
+ ATOM 982 OD2 ASP A 119 17.105 29.646 0.718 1.00 88.71 O
983
+ ATOM 983 C SER A 120 13.411 24.664 3.599 1.00 90.14 C
984
+ ATOM 984 CA SER A 120 13.700 25.557 4.800 1.00 90.08 C
985
+ ATOM 985 CB SER A 120 12.401 26.189 5.301 1.00 88.51 C
986
+ ATOM 986 N SER A 120 14.676 26.590 4.469 1.00 90.49 N
987
+ ATOM 987 O SER A 120 13.173 25.157 2.495 1.00 88.95 O
988
+ ATOM 988 OG SER A 120 11.411 25.198 5.519 1.00 85.01 O
989
+ ATOM 989 C PRO A 121 11.592 22.487 2.312 1.00 90.31 C
990
+ ATOM 990 CA PRO A 121 13.071 22.450 2.696 1.00 91.36 C
991
+ ATOM 991 CB PRO A 121 13.462 21.069 3.229 1.00 89.36 C
992
+ ATOM 992 CD PRO A 121 13.755 22.616 5.083 1.00 83.71 C
993
+ ATOM 993 CG PRO A 121 13.402 21.203 4.716 1.00 85.26 C
994
+ ATOM 994 N PRO A 121 13.389 23.344 3.811 1.00 91.39 N
995
+ ATOM 995 O PRO A 121 11.203 21.925 1.286 1.00 88.18 O
996
+ ATOM 996 C ARG A 122 9.082 23.918 1.491 1.00 90.95 C
997
+ ATOM 997 CA ARG A 122 9.377 23.228 2.819 1.00 91.12 C
998
+ ATOM 998 CB ARG A 122 8.686 23.976 3.963 1.00 88.73 C
999
+ ATOM 999 CD ARG A 122 6.527 24.683 5.048 1.00 76.07 C
1000
+ ATOM 1000 CG ARG A 122 7.172 24.034 3.832 1.00 79.63 C
1001
+ ATOM 1001 CZ ARG A 122 4.254 25.281 5.820 1.00 68.84 C
1002
+ ATOM 1002 N ARG A 122 10.814 23.143 3.058 1.00 91.93 N
1003
+ ATOM 1003 NE ARG A 122 5.077 24.784 4.900 1.00 71.05 N
1004
+ ATOM 1004 NH1 ARG A 122 4.723 25.733 6.977 1.00 61.33 N
1005
+ ATOM 1005 NH2 ARG A 122 2.951 25.325 5.580 1.00 56.00 N
1006
+ ATOM 1006 O ARG A 122 8.071 23.630 0.848 1.00 89.12 O
1007
+ ATOM 1007 C TYR A 123 10.801 25.377 -1.191 1.00 91.27 C
1008
+ ATOM 1008 CA TYR A 123 9.670 25.565 -0.187 1.00 91.68 C
1009
+ ATOM 1009 CB TYR A 123 9.528 27.047 0.168 1.00 89.98 C
1010
+ ATOM 1010 CD1 TYR A 123 7.183 27.160 1.099 1.00 82.47 C
1011
+ ATOM 1011 CD2 TYR A 123 9.004 27.717 2.543 1.00 82.49 C
1012
+ ATOM 1012 CE1 TYR A 123 6.282 27.405 2.130 1.00 82.43 C
1013
+ ATOM 1013 CE2 TYR A 123 8.111 27.965 3.581 1.00 81.52 C
1014
+ ATOM 1014 CG TYR A 123 8.555 27.312 1.290 1.00 86.51 C
1015
+ ATOM 1015 CZ TYR A 123 6.754 27.806 3.365 1.00 80.81 C
1016
+ ATOM 1016 N TYR A 123 9.902 24.771 1.014 1.00 91.34 N
1017
+ ATOM 1017 O TYR A 123 11.905 25.891 -0.997 1.00 89.55 O
1018
+ ATOM 1018 OH TYR A 123 5.867 28.050 4.389 1.00 76.00 O
1019
+ ATOM 1019 C PRO A 124 12.069 25.710 -3.992 1.00 93.42 C
1020
+ ATOM 1020 CA PRO A 124 11.675 24.430 -3.259 1.00 93.30 C
1021
+ ATOM 1021 CB PRO A 124 11.064 23.414 -4.228 1.00 91.77 C
1022
+ ATOM 1022 CD PRO A 124 9.339 23.987 -2.612 1.00 84.51 C
1023
+ ATOM 1023 CG PRO A 124 9.588 23.526 -4.019 1.00 86.43 C
1024
+ ATOM 1024 N PRO A 124 10.608 24.644 -2.279 1.00 93.23 N
1025
+ ATOM 1025 O PRO A 124 13.227 25.866 -4.390 1.00 92.64 O
1026
+ ATOM 1026 C VAL A 125 11.067 29.022 -3.839 1.00 95.28 C
1027
+ ATOM 1027 CA VAL A 125 11.423 27.919 -4.834 1.00 95.07 C
1028
+ ATOM 1028 CB VAL A 125 10.606 28.089 -6.133 1.00 94.22 C
1029
+ ATOM 1029 CG1 VAL A 125 10.873 29.454 -6.766 1.00 89.86 C
1030
+ ATOM 1030 CG2 VAL A 125 10.932 26.969 -7.119 1.00 89.88 C
1031
+ ATOM 1031 N VAL A 125 11.196 26.612 -4.225 1.00 94.81 N
1032
+ ATOM 1032 O VAL A 125 10.019 28.968 -3.193 1.00 95.02 O
1033
+ ATOM 1033 C VAL A 126 12.018 32.441 -3.342 1.00 95.60 C
1034
+ ATOM 1034 CA VAL A 126 11.747 31.069 -2.731 1.00 95.60 C
1035
+ ATOM 1035 CB VAL A 126 12.675 30.832 -1.518 1.00 95.05 C
1036
+ ATOM 1036 CG1 VAL A 126 12.243 29.590 -0.741 1.00 91.90 C
1037
+ ATOM 1037 CG2 VAL A 126 14.127 30.703 -1.976 1.00 91.78 C
1038
+ ATOM 1038 N VAL A 126 11.916 30.034 -3.745 1.00 95.49 N
1039
+ ATOM 1039 O VAL A 126 12.749 32.554 -4.330 1.00 95.25 O
1040
+ ATOM 1040 C PRO A 127 13.092 35.266 -2.773 1.00 95.04 C
1041
+ ATOM 1041 CA PRO A 127 11.693 34.823 -3.195 1.00 95.22 C
1042
+ ATOM 1042 CB PRO A 127 10.621 35.664 -2.495 1.00 94.70 C
1043
+ ATOM 1043 CD PRO A 127 10.420 33.438 -1.537 1.00 91.30 C
1044
+ ATOM 1044 CG PRO A 127 10.294 34.906 -1.250 1.00 93.01 C
1045
+ ATOM 1045 N PRO A 127 11.378 33.457 -2.772 1.00 95.07 N
1046
+ ATOM 1046 O PRO A 127 13.514 34.999 -1.645 1.00 94.58 O
1047
+ ATOM 1047 C VAL A 128 15.385 37.885 -3.642 1.00 93.60 C
1048
+ ATOM 1048 CA VAL A 128 15.184 36.388 -3.416 1.00 94.05 C
1049
+ ATOM 1049 CB VAL A 128 16.176 35.580 -4.281 1.00 93.43 C
1050
+ ATOM 1050 CG1 VAL A 128 16.143 34.100 -3.902 1.00 90.03 C
1051
+ ATOM 1051 CG2 VAL A 128 15.861 35.762 -5.765 1.00 89.69 C
1052
+ ATOM 1052 N VAL A 128 13.801 36.026 -3.708 1.00 94.21 N
1053
+ ATOM 1053 O VAL A 128 16.412 38.446 -3.248 1.00 92.55 O
1054
+ ATOM 1054 C HIS A 129 13.107 40.535 -4.742 1.00 93.45 C
1055
+ ATOM 1055 CA HIS A 129 14.479 39.914 -4.506 1.00 93.38 C
1056
+ ATOM 1056 CB HIS A 129 15.388 40.175 -5.708 1.00 92.11 C
1057
+ ATOM 1057 CD2 HIS A 129 15.057 42.357 -7.072 1.00 76.49 C
1058
+ ATOM 1058 CE1 HIS A 129 16.230 43.701 -5.799 1.00 77.90 C
1059
+ ATOM 1059 CG HIS A 129 15.541 41.626 -6.041 1.00 85.69 C
1060
+ ATOM 1060 N HIS A 129 14.371 38.481 -4.249 1.00 93.21 N
1061
+ ATOM 1061 ND1 HIS A 129 16.272 42.494 -5.260 1.00 73.57 N
1062
+ ATOM 1062 NE2 HIS A 129 15.499 43.645 -6.898 1.00 73.93 N
1063
+ ATOM 1063 O HIS A 129 12.281 39.972 -5.464 1.00 92.91 O
1064
+ ATOM 1064 C LEU A 130 12.003 43.323 -5.572 1.00 93.78 C
1065
+ ATOM 1065 CA LEU A 130 11.701 42.403 -4.395 1.00 94.25 C
1066
+ ATOM 1066 CB LEU A 130 11.269 43.231 -3.182 1.00 93.76 C
1067
+ ATOM 1067 CD1 LEU A 130 8.814 43.241 -3.689 1.00 90.31 C
1068
+ ATOM 1068 CD2 LEU A 130 9.775 44.944 -2.116 1.00 90.12 C
1069
+ ATOM 1069 CG LEU A 130 10.027 44.106 -3.364 1.00 92.67 C
1070
+ ATOM 1070 N LEU A 130 12.860 41.581 -4.065 1.00 94.19 N
1071
+ ATOM 1071 O LEU A 130 12.716 44.318 -5.420 1.00 92.83 O
1072
+ ATOM 1072 C ASP A 131 11.071 45.087 -8.042 1.00 92.60 C
1073
+ ATOM 1073 CA ASP A 131 11.755 43.724 -7.964 1.00 93.02 C
1074
+ ATOM 1074 CB ASP A 131 11.405 42.888 -9.198 1.00 92.34 C
1075
+ ATOM 1075 CG ASP A 131 12.003 43.444 -10.479 1.00 89.78 C
1076
+ ATOM 1076 N ASP A 131 11.381 43.017 -6.743 1.00 93.23 N
1077
+ ATOM 1077 O ASP A 131 11.716 46.097 -8.328 1.00 91.45 O
1078
+ ATOM 1078 OD1 ASP A 131 13.243 43.438 -10.625 1.00 85.69 O
1079
+ ATOM 1079 OD2 ASP A 131 11.225 43.894 -11.347 1.00 86.88 O
1080
+ ATOM 1080 C THR A 132 7.731 46.262 -7.136 1.00 92.40 C
1081
+ ATOM 1081 CA THR A 132 9.093 46.391 -7.812 1.00 92.06 C
1082
+ ATOM 1082 CB THR A 132 8.911 46.928 -9.244 1.00 91.00 C
1083
+ ATOM 1083 CG2 THR A 132 7.889 46.099 -10.016 1.00 83.58 C
1084
+ ATOM 1084 N THR A 132 9.793 45.112 -7.812 1.00 92.08 N
1085
+ ATOM 1085 O THR A 132 7.253 45.152 -6.900 1.00 91.88 O
1086
+ ATOM 1086 OG1 THR A 132 8.459 48.287 -9.184 1.00 84.99 O
1087
+ ATOM 1087 C THR A 133 5.015 48.286 -7.295 1.00 89.96 C
1088
+ ATOM 1088 CA THR A 133 5.813 47.437 -6.310 1.00 92.06 C
1089
+ ATOM 1089 CB THR A 133 5.717 48.052 -4.902 1.00 90.95 C
1090
+ ATOM 1090 CG2 THR A 133 6.529 47.247 -3.893 1.00 84.30 C
1091
+ ATOM 1091 N THR A 133 7.201 47.313 -6.739 1.00 92.07 N
1092
+ ATOM 1092 O THR A 133 5.540 49.249 -7.860 1.00 86.65 O
1093
+ ATOM 1093 OG1 THR A 133 6.216 49.395 -4.939 1.00 88.11 O
1094
+ ATOM 1094 C ILE A 134 1.655 48.829 -7.977 1.00 86.88 C
1095
+ ATOM 1095 CA ILE A 134 3.003 48.443 -8.584 1.00 88.29 C
1096
+ ATOM 1096 CB ILE A 134 2.795 47.522 -9.808 1.00 86.16 C
1097
+ ATOM 1097 CD1 ILE A 134 3.995 45.704 -11.157 1.00 74.40 C
1098
+ ATOM 1098 CG1 ILE A 134 4.133 46.927 -10.262 1.00 78.36 C
1099
+ ATOM 1099 CG2 ILE A 134 2.121 48.287 -10.950 1.00 76.29 C
1100
+ ATOM 1100 N ILE A 134 3.835 47.803 -7.571 1.00 88.91 N
1101
+ ATOM 1101 O ILE A 134 1.126 48.116 -7.122 1.00 82.89 O
1102
+ TER 1102 ILE A 134
1103
+ END
1h1h/1h1h_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1inq/1inq_ligand.mol2 ADDED
@@ -0,0 +1,306 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1inq_ligand
7
+ 144 146 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 33.7560 7.5260 -3.5500 N.4 1 SER 0.2396
14
+ 2 CA 33.6440 8.9480 -4.0140 C.3 1 SER 0.0885
15
+ 3 C 32.2080 9.1390 -4.5030 C.2 1 SER 0.2290
16
+ 4 O 31.7300 8.3830 -5.3560 O.2 1 SER -0.3906
17
+ 5 CB 34.6360 9.2130 -5.1480 C.3 1 SER 0.1041
18
+ 6 OG 34.5860 10.5720 -5.5430 O.3 1 SER -0.3870
19
+ 7 N 31.5210 10.1330 -3.9340 N.am 1 SER -0.2588
20
+ 8 CA 30.1190 10.4120 -4.2620 C.3 1 SER 0.1540
21
+ 9 C 29.8850 11.1700 -5.5650 C.2 1 SER 0.2062
22
+ 10 O 30.8280 11.6790 -6.1820 O.2 1 SER -0.3943
23
+ 11 CB 29.4960 11.2060 -3.1180 C.3 1 SER 0.0843
24
+ 12 OG 30.2140 12.4160 -2.9220 O.3 1 SER -0.3903
25
+ 13 N 28.6120 11.2160 -5.9730 N.am 1 VAL -0.2634
26
+ 14 CA 28.1510 11.9240 -7.1650 C.3 1 VAL 0.1333
27
+ 15 C 27.4760 13.1850 -6.6630 C.2 1 VAL 0.2042
28
+ 16 O 26.9280 13.2060 -5.5750 O.2 1 VAL -0.3944
29
+ 17 CB 26.9500 11.2560 -7.9170 C.3 1 VAL -0.0063
30
+ 18 CG1 27.2270 11.2010 -9.4120 C.3 1 VAL -0.0584
31
+ 19 CG2 26.5980 9.9540 -7.3070 C.3 1 VAL -0.0584
32
+ 20 N 27.4870 14.2210 -7.4830 N.am 1 VAL -0.2635
33
+ 21 CA 26.8030 15.4490 -7.1330 C.3 1 VAL 0.1332
34
+ 22 C 25.6700 15.6300 -8.1500 C.2 1 VAL 0.2039
35
+ 23 O 25.7140 15.1070 -9.2870 O.2 1 VAL -0.3944
36
+ 24 CB 27.7180 16.6800 -7.2240 C.3 1 VAL -0.0063
37
+ 25 CG1 28.8670 16.5700 -6.2190 C.3 1 VAL -0.0584
38
+ 26 CG2 28.2340 16.8310 -8.6280 C.3 1 VAL -0.0584
39
+ 27 N 24.6510 16.3580 -7.7320 N.am 1 GLY -0.2664
40
+ 28 CA 23.5590 16.6440 -8.6430 C.3 1 GLY 0.1201
41
+ 29 C 23.9250 17.9250 -9.3880 C.2 1 GLY 0.2008
42
+ 30 O 24.6760 18.7590 -8.8840 O.2 1 GLY -0.3947
43
+ 31 N 23.4280 18.0480 -10.6120 N.am 1 VAL -0.2637
44
+ 32 CA 23.6340 19.2190 -11.4400 C.3 1 VAL 0.1332
45
+ 33 C 22.2010 19.7510 -11.5860 C.2 1 VAL 0.2042
46
+ 34 O 21.7480 20.5370 -10.7610 O.2 1 VAL -0.3944
47
+ 35 CB 24.2590 18.7950 -12.7770 C.3 1 VAL -0.0063
48
+ 36 CG1 24.5270 20.0040 -13.6850 C.3 1 VAL -0.0584
49
+ 37 CG2 25.5670 18.0840 -12.4820 C.3 1 VAL -0.0584
50
+ 38 N 21.4560 19.3020 -12.5910 N.am 1 TRP -0.2627
51
+ 39 CA 20.0710 19.7660 -12.7400 C.3 1 TRP 0.1352
52
+ 40 C 19.2220 19.3580 -11.5410 C.2 1 TRP 0.2053
53
+ 41 O 19.4020 18.2710 -10.9810 O.2 1 TRP -0.3942
54
+ 42 CB 19.4800 19.1900 -14.0330 C.3 1 TRP 0.0042
55
+ 43 CG 20.3480 19.5430 -15.1510 C.2 1 TRP -0.0418
56
+ 44 CD1 20.4110 20.7590 -15.7850 C.2 1 TRP 0.0167
57
+ 45 CD2 21.4660 18.7960 -15.6140 C.ar 1 TRP -0.0214
58
+ 46 NE1 21.5130 20.8120 -16.5900 N.pl3 1 TRP -0.2890
59
+ 47 CE2 22.1800 19.6220 -16.5050 C.ar 1 TRP 0.0603
60
+ 48 CE3 21.9450 17.5090 -15.3520 C.ar 1 TRP -0.0747
61
+ 49 CZ2 23.3480 19.2050 -17.1370 C.ar 1 TRP -0.0443
62
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64
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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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132
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The diff for this file is too large to render. See raw diff
 
1jh1/1jh1_protein_processed_fix.pdb ADDED
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1m5b/1m5b_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Sun Sep 9 21:50:03 2018
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1m5b/1m5b_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1m5b/1m5b_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1m6p/1m6p_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
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+ ###
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5
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+ 29 54 1 0 0 0
116
+ M END
117
+ $$$$