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linbc20 commited on
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1 Parent(s): eda5429

Add batch 162

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  1. 1ajq/1ajq_ligand.mol2 +44 -0
  2. 1ajq/1ajq_ligand.sdf +36 -0
  3. 1ajq/1ajq_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1ajq/1ajq_protein_processed_fix.pdb +0 -0
  5. 1eas/1eas_ligand.mol2 +133 -0
  6. 1eas/1eas_ligand.sdf +123 -0
  7. 1eas/1eas_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1eas/1eas_protein_processed_fix.pdb +0 -0
  9. 1ft4/1ft4_ligand.mol2 +124 -0
  10. 1ft4/1ft4_ligand.sdf +114 -0
  11. 1ft4/1ft4_protein_esmfold_aligned_tr_fix.pdb +1097 -0
  12. 1ft4/1ft4_protein_processed_fix.pdb +0 -0
  13. 1g9r/1g9r_ligand.mol2 +132 -0
  14. 1g9r/1g9r_ligand.sdf +126 -0
  15. 1g9r/1g9r_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1g9r/1g9r_protein_processed_fix.pdb +0 -0
  17. 1h5u/1h5u_ligand.mol2 +127 -0
  18. 1h5u/1h5u_ligand.sdf +115 -0
  19. 1h5u/1h5u_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1h5u/1h5u_protein_processed_fix.pdb +0 -0
  21. 1iup/1iup_ligand.mol2 +41 -0
  22. 1iup/1iup_ligand.sdf +33 -0
  23. 1iup/1iup_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1iup/1iup_protein_processed_fix.pdb +0 -0
  25. 1kmy/1kmy_ligand.mol2 +65 -0
  26. 1kmy/1kmy_ligand.sdf +55 -0
  27. 1kmy/1kmy_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1kmy/1kmy_protein_processed_fix.pdb +0 -0
  29. 1nj1/1nj1_ligand.mol2 +116 -0
  30. 1nj1/1nj1_ligand.sdf +106 -0
  31. 1nj1/1nj1_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1nj1/1nj1_protein_processed_fix.pdb +0 -0
  33. 1rtf/1rtf_ligand.mol2 +52 -0
  34. 1rtf/1rtf_ligand.sdf +40 -0
  35. 1rtf/1rtf_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1rtf/1rtf_protein_processed_fix.pdb +0 -0
  37. 1w7g/1w7g_ligand.mol2 +155 -0
  38. 1w7g/1w7g_ligand.sdf +143 -0
  39. 1w7g/1w7g_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1w7g/1w7g_protein_processed_fix.pdb +0 -0
  41. 1x70/1x70_ligand.mol2 +106 -0
  42. 1x70/1x70_ligand.sdf +96 -0
  43. 1x70/1x70_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 1x70/1x70_protein_processed_fix.pdb +0 -0
  45. 2etr/2etr_ligand.mol2 +97 -0
  46. 2etr/2etr_ligand.sdf +87 -0
  47. 2etr/2etr_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2etr/2etr_protein_processed_fix.pdb +0 -0
  49. 2o7n/2o7n_ligand.mol2 +105 -0
  50. 2o7n/2o7n_ligand.sdf +95 -0
1ajq/1ajq_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
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1ajq/1ajq_ligand.sdf ADDED
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+ $$$$
1ajq/1ajq_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ajq/1ajq_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1eas/1eas_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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1eas/1eas_ligand.sdf ADDED
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+ $$$$
1eas/1eas_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1eas/1eas_protein_processed_fix.pdb ADDED
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36
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38
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39
+ ATOM 39 CD PRO A 6 25.126 11.675 8.736 1.00 80.20 C
40
+ ATOM 40 CG PRO A 6 24.690 13.096 8.949 1.00 81.38 C
41
+ ATOM 41 N PRO A 6 25.868 11.356 9.807 1.00 85.31 N
42
+ ATOM 42 O PRO A 6 24.428 11.168 12.144 1.00 85.91 O
43
+ ATOM 43 C GLN A 7 23.588 12.860 14.467 1.00 87.16 C
44
+ ATOM 44 CA GLN A 7 25.090 12.619 14.569 1.00 86.68 C
45
+ ATOM 45 CB GLN A 7 25.706 13.562 15.604 1.00 84.29 C
46
+ ATOM 46 CD GLN A 7 25.851 14.258 18.033 1.00 73.82 C
47
+ ATOM 47 CG GLN A 7 25.191 13.342 17.019 1.00 77.55 C
48
+ ATOM 48 N GLN A 7 25.740 12.786 13.273 1.00 86.61 N
49
+ ATOM 49 NE2 GLN A 7 25.478 14.108 19.300 1.00 66.35 N
50
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51
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+ ATOM 55 O GLY A 8 19.504 11.274 13.704 1.00 88.43 O
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+ ATOM 56 C LYS A 9 21.688 8.426 12.113 1.00 90.72 C
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+ ATOM 62 N LYS A 9 21.584 10.683 13.094 1.00 90.79 N
63
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+ ATOM 64 O LYS A 9 22.623 8.187 12.878 1.00 89.42 O
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+ ATOM 65 C TYR A 10 21.550 5.600 9.930 1.00 90.31 C
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+ ATOM 66 CA TYR A 10 21.536 6.088 11.374 1.00 90.55 C
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+ ATOM 67 CB TYR A 10 20.629 5.188 12.220 1.00 90.18 C
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+ ATOM 68 CD1 TYR A 10 18.261 5.958 11.797 1.00 89.04 C
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+ ATOM 69 CD2 TYR A 10 18.938 3.842 10.919 1.00 89.19 C
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+ ATOM 70 CE1 TYR A 10 16.990 5.781 11.261 1.00 88.68 C
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+ ATOM 71 CE2 TYR A 10 17.670 3.654 10.379 1.00 89.06 C
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+ ATOM 72 CG TYR A 10 19.251 4.993 11.635 1.00 90.28 C
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+ ATOM 73 CZ TYR A 10 16.704 4.628 10.554 1.00 88.12 C
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+ ATOM 74 N TYR A 10 21.094 7.477 11.451 1.00 90.20 N
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+ ATOM 75 O TYR A 10 20.894 6.183 9.064 1.00 89.33 O
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+ ATOM 76 OH TYR A 10 15.447 4.447 10.021 1.00 85.19 O
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+ ATOM 77 C ILE A 11 21.225 3.141 8.023 1.00 89.99 C
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+ ATOM 78 CA ILE A 11 22.423 4.033 8.339 1.00 89.36 C
79
+ ATOM 79 CB ILE A 11 23.737 3.234 8.200 1.00 87.74 C
80
+ ATOM 80 CD1 ILE A 11 26.277 3.430 8.476 1.00 75.27 C
81
+ ATOM 81 CG1 ILE A 11 24.947 4.161 8.369 1.00 78.99 C
82
+ ATOM 82 CG2 ILE A 11 23.789 2.509 6.852 1.00 78.21 C
83
+ ATOM 83 N ILE A 11 22.279 4.595 9.678 1.00 89.19 N
84
+ ATOM 84 O ILE A 11 20.871 2.261 8.812 1.00 89.23 O
85
+ ATOM 85 C HIS A 12 19.884 1.157 6.412 1.00 89.54 C
86
+ ATOM 86 CA HIS A 12 19.479 2.624 6.511 1.00 90.01 C
87
+ ATOM 87 CB HIS A 12 18.939 3.112 5.166 1.00 88.85 C
88
+ ATOM 88 CD2 HIS A 12 16.376 3.101 4.767 1.00 80.43 C
89
+ ATOM 89 CE1 HIS A 12 16.159 0.997 4.190 1.00 82.03 C
90
+ ATOM 90 CG HIS A 12 17.605 2.536 4.810 1.00 85.26 C
91
+ ATOM 91 N HIS A 12 20.599 3.451 6.943 1.00 89.73 N
92
+ ATOM 92 ND1 HIS A 12 17.438 1.218 4.444 1.00 80.44 N
93
+ ATOM 93 NE2 HIS A 12 15.493 2.124 4.378 1.00 82.69 N
94
+ ATOM 94 O HIS A 12 20.933 0.834 5.849 1.00 87.90 O
95
+ ATOM 95 C PRO A 13 19.751 -1.777 5.535 1.00 86.63 C
96
+ ATOM 96 CA PRO A 13 19.576 -1.172 6.925 1.00 87.51 C
97
+ ATOM 97 CB PRO A 13 18.443 -1.865 7.685 1.00 86.40 C
98
+ ATOM 98 CD PRO A 13 17.800 0.471 7.478 1.00 84.20 C
99
+ ATOM 99 CG PRO A 13 17.279 -0.934 7.567 1.00 84.85 C
100
+ ATOM 100 N PRO A 13 19.148 0.228 6.884 1.00 87.96 N
101
+ ATOM 101 O PRO A 13 20.563 -2.687 5.350 1.00 84.29 O
102
+ ATOM 102 C GLN A 14 19.928 -1.213 2.223 1.00 86.26 C
103
+ ATOM 103 CA GLN A 14 19.081 -2.010 3.211 1.00 87.28 C
104
+ ATOM 104 CB GLN A 14 17.662 -2.184 2.666 1.00 85.35 C
105
+ ATOM 105 CD GLN A 14 15.349 -3.142 3.039 1.00 74.39 C
106
+ ATOM 106 CG GLN A 14 16.799 -3.128 3.490 1.00 78.63 C
107
+ ATOM 107 N GLN A 14 19.051 -1.366 4.519 1.00 87.97 N
108
+ ATOM 108 NE2 GLN A 14 14.542 -3.993 3.662 1.00 67.87 N
109
+ ATOM 109 O GLN A 14 20.245 -1.700 1.136 1.00 83.15 O
110
+ ATOM 110 OE1 GLN A 14 14.958 -2.392 2.139 1.00 72.40 O
111
+ ATOM 111 C ASN A 15 21.946 1.752 2.449 1.00 86.43 C
112
+ ATOM 112 CA ASN A 15 20.966 0.891 1.657 1.00 86.49 C
113
+ ATOM 113 CB ASN A 15 20.028 1.776 0.832 1.00 84.82 C
114
+ ATOM 114 CG ASN A 15 20.740 2.479 -0.307 1.00 80.59 C
115
+ ATOM 115 N ASN A 15 20.201 0.007 2.531 1.00 86.49 N
116
+ ATOM 116 ND2 ASN A 15 19.978 2.906 -1.308 1.00 77.32 N
117
+ ATOM 117 O ASN A 15 21.559 2.771 3.024 1.00 84.76 O
118
+ ATOM 118 OD1 ASN A 15 21.963 2.636 -0.289 1.00 77.20 O
119
+ ATOM 119 C ASN A 16 24.583 3.458 2.750 1.00 83.20 C
120
+ ATOM 120 CA ASN A 16 24.299 2.029 3.207 1.00 83.68 C
121
+ ATOM 121 CB ASN A 16 25.583 1.198 3.184 1.00 80.95 C
122
+ ATOM 122 CG ASN A 16 25.453 -0.101 3.954 1.00 73.86 C
123
+ ATOM 123 N ASN A 16 23.267 1.401 2.390 1.00 84.35 N
124
+ ATOM 124 ND2 ASN A 16 26.460 -0.959 3.846 1.00 66.76 N
125
+ ATOM 125 O ASN A 16 25.307 4.196 3.422 1.00 80.19 O
126
+ ATOM 126 OD1 ASN A 16 24.455 -0.331 4.642 1.00 67.48 O
127
+ ATOM 127 C SER A 17 23.152 6.180 1.770 1.00 84.22 C
128
+ ATOM 128 CA SER A 17 24.183 5.213 1.198 1.00 83.81 C
129
+ ATOM 129 CB SER A 17 24.119 5.231 -0.330 1.00 81.77 C
130
+ ATOM 130 N SER A 17 23.976 3.860 1.703 1.00 83.95 N
131
+ ATOM 131 O SER A 17 23.260 7.395 1.583 1.00 82.55 O
132
+ ATOM 132 OG SER A 17 22.832 4.855 -0.784 1.00 73.40 O
133
+ ATOM 133 C ILE A 18 21.267 6.595 4.454 1.00 89.00 C
134
+ ATOM 134 CA ILE A 18 21.132 6.465 2.938 1.00 88.11 C
135
+ ATOM 135 CB ILE A 18 19.760 5.855 2.573 1.00 86.87 C
136
+ ATOM 136 CD1 ILE A 18 18.306 5.130 0.593 1.00 78.53 C
137
+ ATOM 137 CG1 ILE A 18 19.566 5.849 1.053 1.00 82.24 C
138
+ ATOM 138 CG2 ILE A 18 18.628 6.619 3.267 1.00 82.16 C
139
+ ATOM 139 N ILE A 18 22.231 5.661 2.413 1.00 87.82 N
140
+ ATOM 140 O ILE A 18 21.499 5.604 5.150 1.00 88.57 O
141
+ ATOM 141 C CYS A 19 19.696 8.601 6.709 1.00 90.45 C
142
+ ATOM 142 CA CYS A 19 21.102 8.166 6.311 1.00 90.13 C
143
+ ATOM 143 CB CYS A 19 22.107 9.261 6.670 1.00 88.73 C
144
+ ATOM 144 N CYS A 19 21.169 7.857 4.886 1.00 89.90 N
145
+ ATOM 145 O CYS A 19 19.143 9.533 6.124 1.00 89.72 O
146
+ ATOM 146 SG CYS A 19 23.831 8.753 6.495 1.00 86.40 S
147
+ ATOM 147 C CYS A 20 17.935 8.950 9.524 1.00 92.43 C
148
+ ATOM 148 CA CYS A 20 17.867 8.261 8.166 1.00 92.19 C
149
+ ATOM 149 CB CYS A 20 17.031 6.986 8.270 1.00 91.14 C
150
+ ATOM 150 N CYS A 20 19.204 7.957 7.667 1.00 91.80 N
151
+ ATOM 151 O CYS A 20 18.861 8.709 10.300 1.00 91.95 O
152
+ ATOM 152 SG CYS A 20 16.804 6.132 6.696 1.00 88.52 S
153
+ ATOM 153 C THR A 21 16.492 9.602 12.229 1.00 93.46 C
154
+ ATOM 154 CA THR A 21 16.933 10.517 11.090 1.00 92.80 C
155
+ ATOM 155 CB THR A 21 15.970 11.715 10.989 1.00 91.69 C
156
+ ATOM 156 CG2 THR A 21 15.931 12.500 12.296 1.00 85.35 C
157
+ ATOM 157 N THR A 21 16.996 9.782 9.831 1.00 92.55 N
158
+ ATOM 158 O THR A 21 15.552 8.818 12.074 1.00 93.26 O
159
+ ATOM 159 OG1 THR A 21 16.407 12.583 9.936 1.00 86.80 O
160
+ ATOM 160 C LYS A 22 15.447 9.402 15.113 1.00 93.95 C
161
+ ATOM 161 CA LYS A 22 16.762 8.916 14.509 1.00 93.67 C
162
+ ATOM 162 CB LYS A 22 17.878 8.994 15.552 1.00 92.91 C
163
+ ATOM 163 CD LYS A 22 20.179 8.279 16.281 1.00 89.25 C
164
+ ATOM 164 CE LYS A 22 21.429 7.490 15.913 1.00 86.30 C
165
+ ATOM 165 CG LYS A 22 19.120 8.192 15.190 1.00 90.82 C
166
+ ATOM 166 N LYS A 22 17.114 9.691 13.322 1.00 93.44 N
167
+ ATOM 167 NZ LYS A 22 22.497 7.631 16.947 1.00 81.92 N
168
+ ATOM 168 O LYS A 22 15.062 10.558 14.926 1.00 93.63 O
169
+ ATOM 169 C CYS A 23 13.952 9.616 17.810 1.00 94.91 C
170
+ ATOM 170 CA CYS A 23 13.600 8.905 16.509 1.00 95.11 C
171
+ ATOM 171 CB CYS A 23 12.777 7.653 16.807 1.00 94.42 C
172
+ ATOM 172 N CYS A 23 14.804 8.560 15.760 1.00 94.91 N
173
+ ATOM 173 O CYS A 23 14.947 9.281 18.456 1.00 94.37 O
174
+ ATOM 174 SG CYS A 23 12.121 6.843 15.332 1.00 93.59 S
175
+ ATOM 175 C HIS A 24 12.986 10.436 20.638 1.00 94.88 C
176
+ ATOM 176 CA HIS A 24 13.342 11.312 19.443 1.00 94.69 C
177
+ ATOM 177 CB HIS A 24 12.492 12.585 19.452 1.00 93.19 C
178
+ ATOM 178 CD2 HIS A 24 12.201 14.027 17.315 1.00 70.04 C
179
+ ATOM 179 CE1 HIS A 24 14.157 15.018 17.340 1.00 69.75 C
180
+ ATOM 180 CG HIS A 24 12.878 13.572 18.397 1.00 82.21 C
181
+ ATOM 181 N HIS A 24 13.165 10.590 18.188 1.00 94.70 N
182
+ ATOM 182 ND1 HIS A 24 14.099 14.210 18.385 1.00 67.03 N
183
+ ATOM 183 NE2 HIS A 24 13.018 14.925 16.674 1.00 66.98 N
184
+ ATOM 184 O HIS A 24 12.271 9.442 20.494 1.00 94.39 O
185
+ ATOM 185 C LYS A 25 11.708 10.002 23.213 1.00 94.86 C
186
+ ATOM 186 CA LYS A 25 13.223 10.031 23.033 1.00 94.69 C
187
+ ATOM 187 CB LYS A 25 13.885 10.647 24.266 1.00 93.35 C
188
+ ATOM 188 CD LYS A 25 14.108 12.617 25.817 1.00 82.33 C
189
+ ATOM 189 CE LYS A 25 13.607 14.015 26.157 1.00 75.69 C
190
+ ATOM 190 CG LYS A 25 13.419 12.062 24.576 1.00 86.03 C
191
+ ATOM 191 N LYS A 25 13.595 10.768 21.828 1.00 94.69 N
192
+ ATOM 192 NZ LYS A 25 14.182 14.511 27.443 1.00 68.80 N
193
+ ATOM 193 O LYS A 25 11.016 10.955 22.849 1.00 94.29 O
194
+ ATOM 194 C GLY A 26 9.018 8.122 22.585 1.00 95.52 C
195
+ ATOM 195 CA GLY A 26 9.705 8.729 23.793 1.00 95.51 C
196
+ ATOM 196 N GLY A 26 11.136 8.911 23.605 1.00 95.35 N
197
+ ATOM 197 O GLY A 26 7.803 7.908 22.598 1.00 95.04 O
198
+ ATOM 198 C THR A 27 10.163 6.130 19.834 1.00 95.49 C
199
+ ATOM 199 CA THR A 27 9.252 7.260 20.304 1.00 95.55 C
200
+ ATOM 200 CB THR A 27 9.079 8.288 19.171 1.00 94.92 C
201
+ ATOM 201 CG2 THR A 27 8.363 9.539 19.668 1.00 92.65 C
202
+ ATOM 202 N THR A 27 9.783 7.884 21.510 1.00 95.50 N
203
+ ATOM 203 O THR A 27 11.299 6.007 20.298 1.00 95.06 O
204
+ ATOM 204 OG1 THR A 27 10.369 8.658 18.669 1.00 91.24 O
205
+ ATOM 205 C TYR A 28 10.231 4.169 16.909 1.00 95.64 C
206
+ ATOM 206 CA TYR A 28 10.393 4.160 18.425 1.00 95.77 C
207
+ ATOM 207 CB TYR A 28 9.934 2.813 18.991 1.00 95.47 C
208
+ ATOM 208 CD1 TYR A 28 7.414 2.954 19.102 1.00 93.02 C
209
+ ATOM 209 CD2 TYR A 28 8.396 1.451 17.526 1.00 92.80 C
210
+ ATOM 210 CE1 TYR A 28 6.143 2.575 18.683 1.00 92.08 C
211
+ ATOM 211 CE2 TYR A 28 7.130 1.064 17.099 1.00 92.16 C
212
+ ATOM 212 CG TYR A 28 8.557 2.399 18.531 1.00 94.70 C
213
+ ATOM 213 CZ TYR A 28 6.011 1.630 17.682 1.00 91.26 C
214
+ ATOM 214 N TYR A 28 9.646 5.253 19.036 1.00 95.66 N
215
+ ATOM 215 O TYR A 28 9.344 4.842 16.378 1.00 95.23 O
216
+ ATOM 216 OH TYR A 28 4.756 1.251 17.263 1.00 88.63 O
217
+ ATOM 217 C LEU A 29 10.198 2.453 14.269 1.00 94.92 C
218
+ ATOM 218 CA LEU A 29 11.229 3.447 14.795 1.00 95.12 C
219
+ ATOM 219 CB LEU A 29 12.628 3.047 14.322 1.00 94.37 C
220
+ ATOM 220 CD1 LEU A 29 12.663 4.315 12.159 1.00 85.44 C
221
+ ATOM 221 CD2 LEU A 29 14.201 2.360 12.490 1.00 84.85 C
222
+ ATOM 222 CG LEU A 29 12.830 2.946 12.809 1.00 91.51 C
223
+ ATOM 223 N LEU A 29 11.183 3.522 16.251 1.00 95.10 N
224
+ ATOM 224 O LEU A 29 10.347 1.243 14.454 1.00 94.16 O
225
+ ATOM 225 C TYR A 30 8.454 1.694 11.635 1.00 94.35 C
226
+ ATOM 226 CA TYR A 30 8.083 2.060 13.067 1.00 94.93 C
227
+ ATOM 227 CB TYR A 30 6.732 2.782 13.087 1.00 94.36 C
228
+ ATOM 228 CD1 TYR A 30 5.073 0.899 13.377 1.00 88.07 C
229
+ ATOM 229 CD2 TYR A 30 5.006 2.168 11.353 1.00 87.45 C
230
+ ATOM 230 CE1 TYR A 30 4.016 0.114 12.928 1.00 87.33 C
231
+ ATOM 231 CE2 TYR A 30 3.948 1.389 10.894 1.00 87.32 C
232
+ ATOM 232 CG TYR A 30 5.582 1.935 12.597 1.00 92.13 C
233
+ ATOM 233 CZ TYR A 30 3.460 0.367 11.688 1.00 85.62 C
234
+ ATOM 234 N TYR A 30 9.115 2.889 13.680 1.00 95.14 N
235
+ ATOM 235 O TYR A 30 8.424 0.520 11.260 1.00 93.12 O
236
+ ATOM 236 OH TYR A 30 2.414 -0.407 11.239 1.00 76.58 O
237
+ ATOM 237 C ASN A 31 10.638 3.371 9.154 1.00 93.54 C
238
+ ATOM 238 CA ASN A 31 9.418 2.500 9.441 1.00 93.42 C
239
+ ATOM 239 CB ASN A 31 8.312 2.782 8.423 1.00 92.23 C
240
+ ATOM 240 CG ASN A 31 7.149 1.816 8.541 1.00 86.99 C
241
+ ATOM 241 N ASN A 31 8.925 2.701 10.801 1.00 93.56 N
242
+ ATOM 242 ND2 ASN A 31 5.943 2.356 8.670 1.00 81.16 N
243
+ ATOM 243 O ASN A 31 10.715 4.511 9.613 1.00 92.89 O
244
+ ATOM 244 OD1 ASN A 31 7.333 0.597 8.518 1.00 81.84 O
245
+ ATOM 245 C ASP A 32 12.327 4.607 6.954 1.00 92.59 C
246
+ ATOM 246 CA ASP A 32 12.733 3.528 7.955 1.00 92.80 C
247
+ ATOM 247 CB ASP A 32 13.786 2.606 7.336 1.00 91.78 C
248
+ ATOM 248 CG ASP A 32 14.385 1.634 8.336 1.00 89.10 C
249
+ ATOM 249 N ASP A 32 11.573 2.758 8.395 1.00 92.94 N
250
+ ATOM 250 O ASP A 32 11.252 4.536 6.356 1.00 91.62 O
251
+ ATOM 251 OD1 ASP A 32 15.180 2.061 9.201 1.00 86.45 O
252
+ ATOM 252 OD2 ASP A 32 14.061 0.428 8.258 1.00 85.54 O
253
+ ATOM 253 C CYS A 33 12.989 6.009 4.452 1.00 92.06 C
254
+ ATOM 254 CA CYS A 33 12.931 6.654 5.831 1.00 92.87 C
255
+ ATOM 255 CB CYS A 33 13.970 7.770 5.926 1.00 91.89 C
256
+ ATOM 256 N CYS A 33 13.147 5.664 6.879 1.00 93.01 N
257
+ ATOM 257 O CYS A 33 13.750 5.064 4.235 1.00 90.36 O
258
+ ATOM 258 SG CYS A 33 15.663 7.216 5.628 1.00 92.26 S
259
+ ATOM 259 C PRO A 34 13.321 6.085 1.378 1.00 88.49 C
260
+ ATOM 260 CA PRO A 34 12.128 5.684 2.242 1.00 89.66 C
261
+ ATOM 261 CB PRO A 34 10.817 6.179 1.627 1.00 88.52 C
262
+ ATOM 262 CD PRO A 34 10.981 7.092 3.876 1.00 86.60 C
263
+ ATOM 263 CG PRO A 34 10.027 6.703 2.783 1.00 86.82 C
264
+ ATOM 264 N PRO A 34 12.145 6.321 3.560 1.00 90.47 N
265
+ ATOM 265 O PRO A 34 13.665 5.380 0.426 1.00 85.98 O
266
+ ATOM 266 C GLY A 35 15.730 8.937 1.516 1.00 85.41 C
267
+ ATOM 267 CA GLY A 35 15.036 7.743 0.888 1.00 84.62 C
268
+ ATOM 268 N GLY A 35 13.943 7.226 1.696 1.00 84.55 N
269
+ ATOM 269 O GLY A 35 15.353 9.380 2.602 1.00 84.36 O
270
+ ATOM 270 C PRO A 36 16.548 11.697 1.575 1.00 83.67 C
271
+ ATOM 271 CA PRO A 36 17.468 10.503 1.335 1.00 83.04 C
272
+ ATOM 272 CB PRO A 36 18.499 10.818 0.248 1.00 80.36 C
273
+ ATOM 273 CD PRO A 36 17.305 8.824 -0.466 1.00 74.66 C
274
+ ATOM 274 CG PRO A 36 18.613 9.559 -0.548 1.00 75.86 C
275
+ ATOM 275 N PRO A 36 16.758 9.340 0.798 1.00 83.04 N
276
+ ATOM 276 O PRO A 36 15.728 12.032 0.715 1.00 81.83 O
277
+ ATOM 277 C GLY A 37 14.437 13.194 3.456 1.00 82.62 C
278
+ ATOM 278 CA GLY A 37 15.852 13.482 2.992 1.00 81.67 C
279
+ ATOM 279 N GLY A 37 16.608 12.279 2.680 1.00 81.34 N
280
+ ATOM 280 O GLY A 37 13.683 14.115 3.776 1.00 81.70 O
281
+ ATOM 281 C GLN A 38 12.654 11.352 5.254 1.00 89.54 C
282
+ ATOM 282 CA GLN A 38 12.694 11.693 3.767 1.00 89.08 C
283
+ ATOM 283 CB GLN A 38 12.159 10.520 2.944 1.00 86.45 C
284
+ ATOM 284 CD GLN A 38 11.306 9.709 0.704 1.00 75.83 C
285
+ ATOM 285 CG GLN A 38 11.959 10.844 1.470 1.00 78.62 C
286
+ ATOM 286 N GLN A 38 14.046 12.041 3.344 1.00 88.66 N
287
+ ATOM 287 NE2 GLN A 38 10.668 10.038 -0.415 1.00 71.86 N
288
+ ATOM 288 O GLN A 38 13.666 10.953 5.832 1.00 88.18 O
289
+ ATOM 289 OE1 GLN A 38 11.375 8.545 1.112 1.00 74.79 O
290
+ ATOM 290 C ASP A 39 11.263 9.944 7.670 1.00 90.72 C
291
+ ATOM 291 CA ASP A 39 11.380 11.401 7.229 1.00 89.94 C
292
+ ATOM 292 CB ASP A 39 10.156 12.193 7.695 1.00 87.84 C
293
+ ATOM 293 CG ASP A 39 10.338 13.695 7.569 1.00 81.46 C
294
+ ATOM 294 N ASP A 39 11.533 11.501 5.781 1.00 89.52 N
295
+ ATOM 295 O ASP A 39 10.685 9.120 6.959 1.00 89.96 O
296
+ ATOM 296 OD1 ASP A 39 11.486 14.181 7.668 1.00 77.82 O
297
+ ATOM 297 OD2 ASP A 39 9.324 14.401 7.374 1.00 80.89 O
298
+ ATOM 298 C THR A 40 10.300 8.306 10.221 1.00 93.13 C
299
+ ATOM 299 CA THR A 40 11.666 8.378 9.545 1.00 93.01 C
300
+ ATOM 300 CB THR A 40 12.773 8.168 10.594 1.00 91.85 C
301
+ ATOM 301 CG2 THR A 40 12.633 6.809 11.274 1.00 83.44 C
302
+ ATOM 302 N THR A 40 11.831 9.651 8.850 1.00 92.69 N
303
+ ATOM 303 O THR A 40 9.822 9.298 10.774 1.00 92.42 O
304
+ ATOM 304 OG1 THR A 40 14.052 8.238 9.951 1.00 86.15 O
305
+ ATOM 305 C ASP A 41 8.563 6.540 12.142 1.00 94.75 C
306
+ ATOM 306 CA ASP A 41 8.365 7.002 10.700 1.00 94.47 C
307
+ ATOM 307 CB ASP A 41 7.517 5.986 9.933 1.00 93.46 C
308
+ ATOM 308 CG ASP A 41 6.110 5.849 10.488 1.00 88.61 C
309
+ ATOM 309 N ASP A 41 9.649 7.205 10.035 1.00 94.36 N
310
+ ATOM 310 O ASP A 41 8.900 5.380 12.388 1.00 94.34 O
311
+ ATOM 311 OD1 ASP A 41 5.739 6.614 11.405 1.00 83.62 O
312
+ ATOM 312 OD2 ASP A 41 5.367 4.966 10.007 1.00 85.60 O
313
+ ATOM 313 C CYS A 42 7.125 7.242 15.164 1.00 94.70 C
314
+ ATOM 314 CA CYS A 42 8.486 7.206 14.479 1.00 95.03 C
315
+ ATOM 315 CB CYS A 42 9.425 8.216 15.136 1.00 94.34 C
316
+ ATOM 316 N CYS A 42 8.359 7.478 13.051 1.00 94.86 N
317
+ ATOM 317 O CYS A 42 6.299 8.109 14.871 1.00 93.93 O
318
+ ATOM 318 SG CYS A 42 11.077 8.254 14.409 1.00 92.74 S
319
+ ATOM 319 C ARG A 43 5.887 6.353 18.274 1.00 95.66 C
320
+ ATOM 320 CA ARG A 43 5.641 6.269 16.771 1.00 95.66 C
321
+ ATOM 321 CB ARG A 43 4.878 4.985 16.436 1.00 94.84 C
322
+ ATOM 322 CD ARG A 43 3.510 3.715 14.746 1.00 85.54 C
323
+ ATOM 323 CG ARG A 43 4.464 4.878 14.978 1.00 89.56 C
324
+ ATOM 324 CZ ARG A 43 2.399 2.608 12.834 1.00 76.99 C
325
+ ATOM 325 N ARG A 43 6.897 6.328 16.031 1.00 95.61 N
326
+ ATOM 326 NE ARG A 43 3.155 3.581 13.336 1.00 82.30 N
327
+ ATOM 327 NH1 ARG A 43 1.900 1.662 13.621 1.00 65.98 N
328
+ ATOM 328 NH2 ARG A 43 2.138 2.583 11.535 1.00 61.60 N
329
+ ATOM 329 O ARG A 43 6.911 5.880 18.769 1.00 95.32 O
330
+ ATOM 330 C GLU A 44 5.031 5.898 21.160 1.00 95.41 C
331
+ ATOM 331 CA GLU A 44 5.083 7.203 20.372 1.00 95.32 C
332
+ ATOM 332 CB GLU A 44 3.975 8.147 20.846 1.00 94.37 C
333
+ ATOM 333 CD GLU A 44 3.129 9.685 22.683 1.00 83.53 C
334
+ ATOM 334 CG GLU A 44 4.165 8.651 22.269 1.00 88.23 C
335
+ ATOM 335 N GLU A 44 4.967 6.958 18.936 1.00 95.27 N
336
+ ATOM 336 O GLU A 44 4.291 4.980 20.803 1.00 95.06 O
337
+ ATOM 337 OE1 GLU A 44 2.118 9.853 21.965 1.00 80.63 O
338
+ ATOM 338 OE2 GLU A 44 3.332 10.333 23.734 1.00 79.58 O
339
+ ATOM 339 C CYS A 45 4.479 4.573 23.783 1.00 95.22 C
340
+ ATOM 340 CA CYS A 45 5.824 4.675 23.074 1.00 95.58 C
341
+ ATOM 341 CB CYS A 45 6.946 4.801 24.104 1.00 95.07 C
342
+ ATOM 342 N CYS A 45 5.846 5.808 22.155 1.00 95.51 N
343
+ ATOM 343 O CYS A 45 3.841 5.589 24.062 1.00 94.51 O
344
+ ATOM 344 SG CYS A 45 8.602 4.648 23.400 1.00 94.67 S
345
+ ATOM 345 C GLU A 46 3.020 3.222 26.322 1.00 94.16 C
346
+ ATOM 346 CA GLU A 46 2.759 3.126 24.822 1.00 94.17 C
347
+ ATOM 347 CB GLU A 46 2.170 1.755 24.478 1.00 92.39 C
348
+ ATOM 348 CD GLU A 46 1.082 0.279 22.718 1.00 78.75 C
349
+ ATOM 349 CG GLU A 46 1.688 1.637 23.039 1.00 82.28 C
350
+ ATOM 350 N GLU A 46 3.979 3.366 24.057 1.00 94.53 N
351
+ ATOM 351 O GLU A 46 4.163 3.102 26.768 1.00 93.33 O
352
+ ATOM 352 OE1 GLU A 46 1.133 -0.626 23.582 1.00 74.03 O
353
+ ATOM 353 OE2 GLU A 46 0.553 0.121 21.596 1.00 73.50 O
354
+ ATOM 354 C SER A 47 2.730 2.252 29.016 1.00 92.58 C
355
+ ATOM 355 CA SER A 47 2.066 3.530 28.515 1.00 92.66 C
356
+ ATOM 356 CB SER A 47 0.705 3.705 29.189 1.00 90.97 C
357
+ ATOM 357 N SER A 47 1.921 3.517 27.064 1.00 92.99 N
358
+ ATOM 358 O SER A 47 2.427 1.160 28.534 1.00 91.36 O
359
+ ATOM 359 OG SER A 47 0.850 3.834 30.592 1.00 77.09 O
360
+ ATOM 360 C GLY A 48 5.728 0.942 29.654 1.00 94.03 C
361
+ ATOM 361 CA GLY A 48 4.425 1.226 30.377 1.00 93.79 C
362
+ ATOM 362 N GLY A 48 3.712 2.374 29.841 1.00 93.62 N
363
+ ATOM 363 O GLY A 48 6.423 -0.025 29.972 1.00 93.30 O
364
+ ATOM 364 C SER A 49 7.878 2.915 27.603 1.00 95.52 C
365
+ ATOM 365 CA SER A 49 7.250 1.548 27.847 1.00 95.49 C
366
+ ATOM 366 CB SER A 49 7.001 0.847 26.510 1.00 94.91 C
367
+ ATOM 367 N SER A 49 6.006 1.663 28.603 1.00 95.32 N
368
+ ATOM 368 O SER A 49 7.227 3.946 27.791 1.00 95.21 O
369
+ ATOM 369 OG SER A 49 6.271 1.686 25.630 1.00 92.61 O
370
+ ATOM 370 C PHE A 50 11.076 4.037 26.202 1.00 95.56 C
371
+ ATOM 371 CA PHE A 50 9.868 4.185 27.119 1.00 95.74 C
372
+ ATOM 372 CB PHE A 50 10.308 4.721 28.485 1.00 95.41 C
373
+ ATOM 373 CD1 PHE A 50 11.414 2.739 29.570 1.00 92.78 C
374
+ ATOM 374 CD2 PHE A 50 12.753 4.653 29.062 1.00 92.57 C
375
+ ATOM 375 CE1 PHE A 50 12.530 2.091 30.094 1.00 92.33 C
376
+ ATOM 376 CE2 PHE A 50 13.873 4.012 29.585 1.00 92.20 C
377
+ ATOM 377 CG PHE A 50 11.515 4.024 29.051 1.00 94.59 C
378
+ ATOM 378 CZ PHE A 50 13.759 2.731 30.101 1.00 91.43 C
379
+ ATOM 379 N PHE A 50 9.171 2.913 27.267 1.00 95.62 N
380
+ ATOM 380 O PHE A 50 11.541 2.923 25.954 1.00 95.09 O
381
+ ATOM 381 C THR A 51 13.491 6.616 25.619 1.00 94.75 C
382
+ ATOM 382 CA THR A 51 12.873 5.324 25.093 1.00 95.15 C
383
+ ATOM 383 CB THR A 51 12.833 5.360 23.555 1.00 94.14 C
384
+ ATOM 384 CG2 THR A 51 12.443 4.001 22.982 1.00 86.61 C
385
+ ATOM 385 N THR A 51 11.540 5.122 25.652 1.00 95.32 N
386
+ ATOM 386 O THR A 51 12.896 7.689 25.499 1.00 93.72 O
387
+ ATOM 387 OG1 THR A 51 11.876 6.338 23.129 1.00 85.06 O
388
+ ATOM 388 C ALA A 52 16.187 8.508 26.162 1.00 93.56 C
389
+ ATOM 389 CA ALA A 52 15.216 7.671 26.989 1.00 94.19 C
390
+ ATOM 390 CB ALA A 52 15.906 7.154 28.251 1.00 92.89 C
391
+ ATOM 391 N ALA A 52 14.685 6.557 26.208 1.00 94.30 N
392
+ ATOM 392 O ALA A 52 16.692 9.529 26.632 1.00 91.78 O
393
+ ATOM 393 C SER A 53 17.019 8.759 22.594 1.00 93.76 C
394
+ ATOM 394 CA SER A 53 17.436 8.885 24.055 1.00 93.56 C
395
+ ATOM 395 CB SER A 53 18.867 8.371 24.231 1.00 92.37 C
396
+ ATOM 396 N SER A 53 16.521 8.161 24.931 1.00 93.50 N
397
+ ATOM 397 O SER A 53 16.105 7.999 22.266 1.00 93.17 O
398
+ ATOM 398 OG SER A 53 18.957 7.002 23.879 1.00 85.31 O
399
+ ATOM 399 C GLU A 54 17.776 7.942 19.916 1.00 93.46 C
400
+ ATOM 400 CA GLU A 54 17.398 9.364 20.323 1.00 93.62 C
401
+ ATOM 401 CB GLU A 54 18.227 10.376 19.527 1.00 91.90 C
402
+ ATOM 402 CD GLU A 54 18.519 12.796 18.811 1.00 80.67 C
403
+ ATOM 403 CG GLU A 54 17.764 11.816 19.696 1.00 83.79 C
404
+ ATOM 404 N GLU A 54 17.579 9.568 21.757 1.00 93.56 N
405
+ ATOM 405 O GLU A 54 18.735 7.375 20.444 1.00 92.46 O
406
+ ATOM 406 OE1 GLU A 54 19.725 12.578 18.555 1.00 79.14 O
407
+ ATOM 407 OE2 GLU A 54 17.900 13.790 18.372 1.00 77.96 O
408
+ ATOM 408 C ASN A 55 16.691 5.607 17.388 1.00 93.22 C
409
+ ATOM 409 CA ASN A 55 17.171 6.003 18.781 1.00 93.49 C
410
+ ATOM 410 CB ASN A 55 16.436 5.186 19.847 1.00 92.91 C
411
+ ATOM 411 CG ASN A 55 14.933 5.386 19.801 1.00 91.35 C
412
+ ATOM 412 N ASN A 55 17.001 7.431 19.022 1.00 93.30 N
413
+ ATOM 413 ND2 ASN A 55 14.433 6.306 20.616 1.00 90.15 N
414
+ ATOM 414 O ASN A 55 16.146 6.436 16.655 1.00 92.26 O
415
+ ATOM 415 OD1 ASN A 55 14.230 4.716 19.042 1.00 89.32 O
416
+ ATOM 416 C HIS A 56 15.896 2.256 16.288 1.00 92.62 C
417
+ ATOM 417 CA HIS A 56 16.394 3.643 15.897 1.00 92.95 C
418
+ ATOM 418 CB HIS A 56 17.402 3.534 14.751 1.00 91.32 C
419
+ ATOM 419 CD2 HIS A 56 19.151 1.630 14.957 1.00 79.04 C
420
+ ATOM 420 CE1 HIS A 56 20.697 2.742 16.041 1.00 80.30 C
421
+ ATOM 421 CG HIS A 56 18.692 2.889 15.147 1.00 86.18 C
422
+ ATOM 422 N HIS A 56 16.988 4.332 17.037 1.00 92.89 N
423
+ ATOM 423 ND1 HIS A 56 19.682 3.562 15.828 1.00 74.89 N
424
+ ATOM 424 NE2 HIS A 56 20.400 1.563 15.522 1.00 79.98 N
425
+ ATOM 425 O HIS A 56 15.966 1.318 15.491 1.00 90.84 O
426
+ ATOM 426 C LEU A 57 13.438 0.575 17.440 1.00 94.68 C
427
+ ATOM 427 CA LEU A 57 14.812 0.846 18.042 1.00 94.46 C
428
+ ATOM 428 CB LEU A 57 14.708 0.922 19.567 1.00 93.56 C
429
+ ATOM 429 CD1 LEU A 57 15.752 1.310 21.813 1.00 83.50 C
430
+ ATOM 430 CD2 LEU A 57 16.909 -0.146 20.128 1.00 83.20 C
431
+ ATOM 431 CG LEU A 57 16.024 1.079 20.331 1.00 89.44 C
432
+ ATOM 432 N LEU A 57 15.382 2.077 17.506 1.00 94.25 N
433
+ ATOM 433 O LEU A 57 12.637 1.496 17.271 1.00 94.29 O
434
+ ATOM 434 C ARG A 58 10.820 -1.253 17.659 1.00 94.48 C
435
+ ATOM 435 CA ARG A 58 11.914 -1.101 16.608 1.00 94.50 C
436
+ ATOM 436 CB ARG A 58 12.081 -2.410 15.833 1.00 92.98 C
437
+ ATOM 437 CD ARG A 58 12.260 -1.476 13.500 1.00 84.51 C
438
+ ATOM 438 CG ARG A 58 12.950 -2.284 14.591 1.00 87.21 C
439
+ ATOM 439 CZ ARG A 58 12.635 -0.929 11.118 1.00 78.07 C
440
+ ATOM 440 N ARG A 58 13.178 -0.704 17.222 1.00 94.48 N
441
+ ATOM 441 NE ARG A 58 13.047 -1.451 12.270 1.00 81.14 N
442
+ ATOM 442 NH1 ARG A 58 11.431 -0.377 11.016 1.00 67.71 N
443
+ ATOM 443 NH2 ARG A 58 13.431 -0.959 10.060 1.00 63.76 N
444
+ ATOM 444 O ARG A 58 9.664 -1.520 17.324 1.00 93.56 O
445
+ ATOM 445 C HIS A 59 10.689 -0.298 21.161 1.00 95.04 C
446
+ ATOM 446 CA HIS A 59 10.172 -1.103 19.972 1.00 94.82 C
447
+ ATOM 447 CB HIS A 59 9.895 -2.546 20.397 1.00 93.01 C
448
+ ATOM 448 CD2 HIS A 59 11.638 -3.594 22.006 1.00 71.01 C
449
+ ATOM 449 CE1 HIS A 59 12.975 -4.460 20.499 1.00 68.56 C
450
+ ATOM 450 CG HIS A 59 11.124 -3.303 20.788 1.00 81.86 C
451
+ ATOM 451 N HIS A 59 11.118 -1.070 18.862 1.00 94.78 N
452
+ ATOM 452 ND1 HIS A 59 11.983 -3.858 19.864 1.00 68.81 N
453
+ ATOM 453 NE2 HIS A 59 12.789 -4.314 21.799 1.00 68.87 N
454
+ ATOM 454 O HIS A 59 11.894 -0.068 21.282 1.00 94.52 O
455
+ ATOM 455 C CYS A 60 10.586 -0.211 24.234 1.00 95.46 C
456
+ ATOM 456 CA CYS A 60 10.173 0.802 23.174 1.00 95.82 C
457
+ ATOM 457 CB CYS A 60 8.996 1.635 23.683 1.00 95.21 C
458
+ ATOM 458 N CYS A 60 9.825 0.138 21.924 1.00 95.77 N
459
+ ATOM 459 O CYS A 60 10.199 -1.379 24.168 1.00 94.71 O
460
+ ATOM 460 SG CYS A 60 8.462 2.920 22.532 1.00 91.98 S
461
+ ATOM 461 C LEU A 61 10.637 -0.622 27.417 1.00 95.17 C
462
+ ATOM 462 CA LEU A 61 11.705 -0.629 26.330 1.00 95.22 C
463
+ ATOM 463 CB LEU A 61 13.038 -0.139 26.903 1.00 94.30 C
464
+ ATOM 464 CD1 LEU A 61 15.431 0.544 26.600 1.00 80.55 C
465
+ ATOM 465 CD2 LEU A 61 14.550 -1.488 25.420 1.00 79.96 C
466
+ ATOM 466 CG LEU A 61 14.217 -0.090 25.930 1.00 89.19 C
467
+ ATOM 467 N LEU A 61 11.300 0.201 25.200 1.00 95.30 N
468
+ ATOM 468 O LEU A 61 9.964 0.389 27.628 1.00 94.59 O
469
+ ATOM 469 C SER A 62 10.018 -1.031 30.408 1.00 95.02 C
470
+ ATOM 470 CA SER A 62 9.515 -1.817 29.203 1.00 95.03 C
471
+ ATOM 471 CB SER A 62 9.283 -3.277 29.597 1.00 94.04 C
472
+ ATOM 472 N SER A 62 10.451 -1.731 28.087 1.00 94.99 N
473
+ ATOM 473 O SER A 62 11.214 -1.043 30.708 1.00 94.55 O
474
+ ATOM 474 OG SER A 62 8.670 -3.993 28.538 1.00 79.48 O
475
+ ATOM 475 C CYS A 63 9.991 -0.481 33.336 1.00 94.20 C
476
+ ATOM 476 CA CYS A 63 9.491 0.435 32.225 1.00 94.67 C
477
+ ATOM 477 CB CYS A 63 8.284 1.235 32.715 1.00 94.07 C
478
+ ATOM 478 N CYS A 63 9.148 -0.331 31.031 1.00 94.67 N
479
+ ATOM 479 O CYS A 63 9.484 -1.591 33.505 1.00 93.30 O
480
+ ATOM 480 SG CYS A 63 7.798 2.572 31.602 1.00 93.24 S
481
+ ATOM 481 C SER A 64 10.514 -0.862 36.345 1.00 92.51 C
482
+ ATOM 482 CA SER A 64 11.525 -0.793 35.205 1.00 92.52 C
483
+ ATOM 483 CB SER A 64 12.816 -0.137 35.698 1.00 91.76 C
484
+ ATOM 484 N SER A 64 10.985 -0.064 34.062 1.00 92.78 N
485
+ ATOM 485 O SER A 64 9.695 0.044 36.511 1.00 91.72 O
486
+ ATOM 486 OG SER A 64 13.837 -0.239 34.720 1.00 88.34 O
487
+ ATOM 487 C LYS A 65 10.588 -2.128 39.456 1.00 92.61 C
488
+ ATOM 488 CA LYS A 65 9.727 -2.117 38.196 1.00 92.65 C
489
+ ATOM 489 CB LYS A 65 8.913 -3.409 38.105 1.00 91.22 C
490
+ ATOM 490 CD LYS A 65 7.112 -4.726 36.941 1.00 81.21 C
491
+ ATOM 491 CE LYS A 65 6.160 -4.779 35.754 1.00 73.44 C
492
+ ATOM 492 CG LYS A 65 7.898 -3.422 36.971 1.00 84.52 C
493
+ ATOM 493 N LYS A 65 10.547 -1.942 37.000 1.00 92.83 N
494
+ ATOM 494 NZ LYS A 65 5.422 -6.075 35.693 1.00 66.39 N
495
+ ATOM 495 O LYS A 65 11.593 -2.839 39.521 1.00 91.72 O
496
+ ATOM 496 C CYS A 66 10.708 -2.523 42.495 1.00 92.69 C
497
+ ATOM 497 CA CYS A 66 10.978 -1.275 41.663 1.00 93.11 C
498
+ ATOM 498 CB CYS A 66 10.576 -0.029 42.451 1.00 92.43 C
499
+ ATOM 499 N CYS A 66 10.263 -1.330 40.393 1.00 93.09 N
500
+ ATOM 500 O CYS A 66 9.557 -2.930 42.656 1.00 91.66 O
501
+ ATOM 501 SG CYS A 66 10.754 1.510 41.522 1.00 91.79 S
502
+ ATOM 502 C ARG A 67 11.222 -4.137 45.166 1.00 92.82 C
503
+ ATOM 503 CA ARG A 67 11.643 -4.385 43.722 1.00 92.71 C
504
+ ATOM 504 CB ARG A 67 12.971 -5.144 43.685 1.00 91.35 C
505
+ ATOM 505 CD ARG A 67 14.727 -6.314 42.310 1.00 82.87 C
506
+ ATOM 506 CG ARG A 67 13.412 -5.547 42.288 1.00 85.94 C
507
+ ATOM 507 CZ ARG A 67 16.232 -7.394 40.673 1.00 75.94 C
508
+ ATOM 508 N ARG A 67 11.748 -3.130 42.984 1.00 92.79 N
509
+ ATOM 509 NE ARG A 67 15.214 -6.589 40.961 1.00 79.07 N
510
+ ATOM 510 NH1 ARG A 67 16.895 -8.022 41.637 1.00 65.51 N
511
+ ATOM 511 NH2 ARG A 67 16.592 -7.572 39.410 1.00 62.49 N
512
+ ATOM 512 O ARG A 67 12.046 -3.758 46.001 1.00 92.01 O
513
+ ATOM 513 C LYS A 68 10.181 -5.118 47.824 1.00 93.13 C
514
+ ATOM 514 CA LYS A 68 9.465 -4.245 46.797 1.00 93.04 C
515
+ ATOM 515 CB LYS A 68 7.962 -4.520 46.831 1.00 91.36 C
516
+ ATOM 516 CD LYS A 68 5.639 -3.804 46.173 1.00 78.86 C
517
+ ATOM 517 CE LYS A 68 4.810 -2.848 45.326 1.00 70.54 C
518
+ ATOM 518 CG LYS A 68 7.129 -3.513 46.052 1.00 81.97 C
519
+ ATOM 519 N LYS A 68 9.997 -4.469 45.456 1.00 93.31 N
520
+ ATOM 520 NZ LYS A 68 3.353 -3.167 45.397 1.00 64.27 N
521
+ ATOM 521 O LYS A 68 10.389 -4.700 48.965 1.00 92.32 O
522
+ ATOM 522 C GLU A 69 12.659 -6.738 48.784 1.00 92.16 C
523
+ ATOM 523 CA GLU A 69 11.293 -7.272 48.362 1.00 92.14 C
524
+ ATOM 524 CB GLU A 69 11.447 -8.637 47.688 1.00 90.34 C
525
+ ATOM 525 CD GLU A 69 11.537 -8.344 45.166 1.00 74.80 C
526
+ ATOM 526 CG GLU A 69 12.319 -8.613 46.442 1.00 80.62 C
527
+ ATOM 527 N GLU A 69 10.613 -6.334 47.474 1.00 92.68 N
528
+ ATOM 528 O GLU A 69 13.206 -7.159 49.807 1.00 90.73 O
529
+ ATOM 529 OE1 GLU A 69 10.432 -7.762 45.244 1.00 70.47 O
530
+ ATOM 530 OE2 GLU A 69 12.034 -8.718 44.081 1.00 67.43 O
531
+ ATOM 531 C MET A 70 14.268 -3.754 49.019 1.00 93.16 C
532
+ ATOM 532 CA MET A 70 14.449 -5.102 48.330 1.00 93.23 C
533
+ ATOM 533 CB MET A 70 15.289 -4.933 47.064 1.00 92.27 C
534
+ ATOM 534 CE MET A 70 17.330 -8.458 46.110 1.00 75.87 C
535
+ ATOM 535 CG MET A 70 15.637 -6.245 46.379 1.00 87.51 C
536
+ ATOM 536 N MET A 70 13.156 -5.702 48.011 1.00 93.31 N
537
+ ATOM 537 O MET A 70 15.233 -3.009 49.197 1.00 92.12 O
538
+ ATOM 538 SD MET A 70 16.787 -7.273 47.372 1.00 81.78 S
539
+ ATOM 539 C GLY A 71 12.645 -0.993 49.051 1.00 92.78 C
540
+ ATOM 540 CA GLY A 71 12.685 -2.205 49.961 1.00 92.50 C
541
+ ATOM 541 N GLY A 71 12.993 -3.441 49.256 1.00 92.50 N
542
+ ATOM 542 O GLY A 71 12.536 0.140 49.522 1.00 91.92 O
543
+ ATOM 543 C GLN A 72 11.288 0.529 46.674 1.00 93.20 C
544
+ ATOM 544 CA GLN A 72 12.671 -0.100 46.809 1.00 93.38 C
545
+ ATOM 545 CB GLN A 72 13.159 -0.594 45.446 1.00 92.81 C
546
+ ATOM 546 CD GLN A 72 14.988 -1.750 44.132 1.00 89.96 C
547
+ ATOM 547 CG GLN A 72 14.571 -1.164 45.468 1.00 91.47 C
548
+ ATOM 548 N GLN A 72 12.660 -1.193 47.776 1.00 93.26 N
549
+ ATOM 549 NE2 GLN A 72 16.116 -2.452 44.119 1.00 89.12 N
550
+ ATOM 550 O GLN A 72 10.274 -0.169 46.746 1.00 92.48 O
551
+ ATOM 551 OE1 GLN A 72 14.303 -1.573 43.120 1.00 88.60 O
552
+ ATOM 552 C VAL A 73 10.192 3.357 44.938 1.00 93.44 C
553
+ ATOM 553 CA VAL A 73 10.054 2.545 46.224 1.00 93.49 C
554
+ ATOM 554 CB VAL A 73 9.685 3.472 47.404 1.00 92.73 C
555
+ ATOM 555 CG1 VAL A 73 9.399 2.656 48.662 1.00 88.79 C
556
+ ATOM 556 CG2 VAL A 73 10.806 4.479 47.659 1.00 88.39 C
557
+ ATOM 557 N VAL A 73 11.291 1.814 46.482 1.00 93.54 N
558
+ ATOM 558 O VAL A 73 11.306 3.661 44.506 1.00 92.81 O
559
+ ATOM 559 C GLU A 74 9.134 5.925 43.507 1.00 93.26 C
560
+ ATOM 560 CA GLU A 74 9.008 4.443 43.167 1.00 93.44 C
561
+ ATOM 561 CB GLU A 74 7.725 4.194 42.369 1.00 92.45 C
562
+ ATOM 562 CD GLU A 74 6.466 4.547 40.191 1.00 85.07 C
563
+ ATOM 563 CG GLU A 74 7.702 4.882 41.012 1.00 88.47 C
564
+ ATOM 564 N GLU A 74 9.030 3.620 44.372 1.00 93.46 N
565
+ ATOM 565 O GLU A 74 8.266 6.490 44.176 1.00 92.36 O
566
+ ATOM 566 OE1 GLU A 74 6.090 3.355 40.118 1.00 82.83 O
567
+ ATOM 567 OE2 GLU A 74 5.870 5.484 39.615 1.00 81.89 O
568
+ ATOM 568 C ILE A 75 9.788 8.841 42.159 1.00 92.26 C
569
+ ATOM 569 CA ILE A 75 10.448 8.029 43.271 1.00 92.47 C
570
+ ATOM 570 CB ILE A 75 11.958 8.347 43.341 1.00 91.49 C
571
+ ATOM 571 CD1 ILE A 75 12.039 7.926 45.868 1.00 79.34 C
572
+ ATOM 572 CG1 ILE A 75 12.611 7.582 44.499 1.00 84.01 C
573
+ ATOM 573 CG2 ILE A 75 12.187 9.855 43.483 1.00 83.42 C
574
+ ATOM 574 N ILE A 75 10.212 6.607 43.048 1.00 92.86 N
575
+ ATOM 575 O ILE A 75 9.228 9.911 42.412 1.00 91.22 O
576
+ ATOM 576 C SER A 76 8.692 7.794 38.845 1.00 93.45 C
577
+ ATOM 577 CA SER A 76 9.246 8.857 39.788 1.00 93.18 C
578
+ ATOM 578 CB SER A 76 10.237 9.747 39.038 1.00 91.79 C
579
+ ATOM 579 N SER A 76 9.882 8.251 40.954 1.00 93.26 N
580
+ ATOM 580 O SER A 76 9.359 6.795 38.568 1.00 92.89 O
581
+ ATOM 581 OG SER A 76 9.631 10.323 37.894 1.00 77.61 O
582
+ ATOM 582 C SER A 77 7.433 7.154 36.029 1.00 93.79 C
583
+ ATOM 583 CA SER A 77 6.881 7.073 37.448 1.00 93.64 C
584
+ ATOM 584 CB SER A 77 5.373 7.327 37.433 1.00 92.35 C
585
+ ATOM 585 N SER A 77 7.551 8.020 38.333 1.00 93.63 N
586
+ ATOM 586 O SER A 77 7.976 8.186 35.627 1.00 93.27 O
587
+ ATOM 587 OG SER A 77 5.094 8.671 37.083 1.00 75.82 O
588
+ ATOM 588 C CYS A 78 6.874 6.804 33.116 1.00 94.75 C
589
+ ATOM 589 CA CYS A 78 7.729 5.922 34.018 1.00 94.93 C
590
+ ATOM 590 CB CYS A 78 7.620 4.465 33.573 1.00 94.10 C
591
+ ATOM 591 N CYS A 78 7.331 6.062 35.414 1.00 94.93 N
592
+ ATOM 592 O CYS A 78 5.656 6.885 33.294 1.00 94.10 O
593
+ ATOM 593 SG CYS A 78 8.006 4.205 31.828 1.00 89.64 S
594
+ ATOM 594 C THR A 79 7.403 7.677 29.804 1.00 94.54 C
595
+ ATOM 595 CA THR A 79 6.869 8.210 31.129 1.00 94.46 C
596
+ ATOM 596 CB THR A 79 7.098 9.731 31.203 1.00 93.72 C
597
+ ATOM 597 CG2 THR A 79 6.632 10.294 32.542 1.00 91.10 C
598
+ ATOM 598 N THR A 79 7.498 7.525 32.253 1.00 94.43 N
599
+ ATOM 599 O THR A 79 8.322 6.855 29.783 1.00 94.07 O
600
+ ATOM 600 OG1 THR A 79 8.495 10.007 31.042 1.00 90.95 O
601
+ ATOM 601 C VAL A 80 8.701 7.909 27.136 1.00 94.75 C
602
+ ATOM 602 CA VAL A 80 7.242 7.555 27.415 1.00 95.05 C
603
+ ATOM 603 CB VAL A 80 6.340 8.077 26.275 1.00 94.31 C
604
+ ATOM 604 CG1 VAL A 80 4.914 7.548 26.429 1.00 90.52 C
605
+ ATOM 605 CG2 VAL A 80 6.346 9.605 26.247 1.00 90.24 C
606
+ ATOM 606 N VAL A 80 6.840 8.098 28.708 1.00 94.93 N
607
+ ATOM 607 O VAL A 80 9.376 7.223 26.365 1.00 94.00 O
608
+ ATOM 608 C ASP A 81 11.584 9.191 28.673 1.00 94.35 C
609
+ ATOM 609 CA ASP A 81 10.658 9.394 27.476 1.00 94.71 C
610
+ ATOM 610 CB ASP A 81 10.678 10.860 27.039 1.00 93.44 C
611
+ ATOM 611 CG ASP A 81 10.223 11.811 28.132 1.00 88.43 C
612
+ ATOM 612 N ASP A 81 9.296 8.972 27.790 1.00 94.61 N
613
+ ATOM 613 O ASP A 81 12.749 9.592 28.637 1.00 93.25 O
614
+ ATOM 614 OD1 ASP A 81 9.735 11.344 29.184 1.00 83.16 O
615
+ ATOM 615 OD2 ASP A 81 10.351 13.039 27.938 1.00 86.78 O
616
+ ATOM 616 C ARG A 82 11.438 7.047 31.631 1.00 95.16 C
617
+ ATOM 617 CA ARG A 82 11.823 8.343 30.925 1.00 94.93 C
618
+ ATOM 618 CB ARG A 82 11.673 9.526 31.884 1.00 93.53 C
619
+ ATOM 619 CD ARG A 82 12.348 10.613 34.055 1.00 79.27 C
620
+ ATOM 620 CG ARG A 82 12.601 9.465 33.087 1.00 84.08 C
621
+ ATOM 621 CZ ARG A 82 10.354 11.547 35.180 1.00 69.23 C
622
+ ATOM 622 N ARG A 82 11.014 8.548 29.728 1.00 95.00 N
623
+ ATOM 623 NE ARG A 82 11.024 10.520 34.664 1.00 74.47 N
624
+ ATOM 624 NH1 ARG A 82 10.873 12.769 35.171 1.00 58.83 N
625
+ ATOM 625 NH2 ARG A 82 9.156 11.350 35.711 1.00 53.40 N
626
+ ATOM 626 O ARG A 82 10.253 6.777 31.842 1.00 94.71 O
627
+ ATOM 627 C ASP A 83 11.816 5.371 34.313 1.00 94.34 C
628
+ ATOM 628 CA ASP A 83 12.225 5.047 32.878 1.00 94.57 C
629
+ ATOM 629 CB ASP A 83 13.478 4.167 32.874 1.00 93.97 C
630
+ ATOM 630 CG ASP A 83 13.179 2.709 33.178 1.00 92.77 C
631
+ ATOM 631 N ASP A 83 12.454 6.266 32.109 1.00 94.60 N
632
+ ATOM 632 O ASP A 83 11.965 6.509 34.764 1.00 93.66 O
633
+ ATOM 633 OD1 ASP A 83 11.990 2.341 33.291 1.00 90.84 O
634
+ ATOM 634 OD2 ASP A 83 14.142 1.923 33.308 1.00 90.21 O
635
+ ATOM 635 C THR A 84 12.159 4.667 37.157 1.00 93.54 C
636
+ ATOM 636 CA THR A 84 10.881 4.420 36.360 1.00 93.81 C
637
+ ATOM 637 CB THR A 84 10.216 3.116 36.843 1.00 93.14 C
638
+ ATOM 638 CG2 THR A 84 9.824 3.212 38.313 1.00 89.97 C
639
+ ATOM 639 N THR A 84 11.164 4.371 34.930 1.00 93.93 N
640
+ ATOM 640 O THR A 84 13.200 4.074 36.870 1.00 92.77 O
641
+ ATOM 641 OG1 THR A 84 9.041 2.869 36.061 1.00 90.14 O
642
+ ATOM 642 C VAL A 85 12.885 5.185 40.363 1.00 93.05 C
643
+ ATOM 643 CA VAL A 85 13.205 5.773 38.990 1.00 92.85 C
644
+ ATOM 644 CB VAL A 85 13.508 7.283 39.114 1.00 91.97 C
645
+ ATOM 645 CG1 VAL A 85 14.654 7.525 40.095 1.00 87.94 C
646
+ ATOM 646 CG2 VAL A 85 13.838 7.875 37.746 1.00 87.66 C
647
+ ATOM 647 N VAL A 85 12.097 5.523 38.075 1.00 92.95 N
648
+ ATOM 648 O VAL A 85 11.902 5.573 40.997 1.00 92.45 O
649
+ ATOM 649 C CYS A 86 14.495 4.143 43.033 1.00 92.31 C
650
+ ATOM 650 CA CYS A 86 13.497 3.602 42.017 1.00 92.55 C
651
+ ATOM 651 CB CYS A 86 13.672 2.091 41.871 1.00 91.72 C
652
+ ATOM 652 N CYS A 86 13.656 4.262 40.727 1.00 92.59 N
653
+ ATOM 653 O CYS A 86 15.610 4.522 42.673 1.00 91.47 O
654
+ ATOM 654 SG CYS A 86 12.523 1.334 40.700 1.00 91.07 S
655
+ ATOM 655 C GLY A 87 14.515 3.997 46.602 1.00 92.45 C
656
+ ATOM 656 CA GLY A 87 14.921 4.591 45.265 1.00 92.08 C
657
+ ATOM 657 N GLY A 87 14.068 4.164 44.168 1.00 92.18 N
658
+ ATOM 658 O GLY A 87 13.780 3.008 46.650 1.00 91.86 O
659
+ ATOM 659 C CYS A 88 13.967 5.167 49.805 1.00 93.01 C
660
+ ATOM 660 CA CYS A 88 14.800 4.151 49.033 1.00 93.18 C
661
+ ATOM 661 CB CYS A 88 16.109 3.883 49.774 1.00 92.31 C
662
+ ATOM 662 N CYS A 88 15.066 4.617 47.676 1.00 93.10 N
663
+ ATOM 663 O CYS A 88 13.960 6.353 49.470 1.00 92.20 O
664
+ ATOM 664 SG CYS A 88 17.074 2.523 49.079 1.00 91.12 S
665
+ ATOM 665 C ARG A 89 13.420 6.522 52.474 1.00 92.38 C
666
+ ATOM 666 CA ARG A 89 12.479 5.623 51.680 1.00 92.53 C
667
+ ATOM 667 CB ARG A 89 11.591 4.821 52.634 1.00 91.09 C
668
+ ATOM 668 CD ARG A 89 9.649 3.245 52.929 1.00 81.43 C
669
+ ATOM 669 CG ARG A 89 10.490 4.038 51.938 1.00 84.38 C
670
+ ATOM 670 CZ ARG A 89 7.886 1.512 52.850 1.00 72.68 C
671
+ ATOM 671 N ARG A 89 13.225 4.729 50.800 1.00 92.89 N
672
+ ATOM 672 NE ARG A 89 8.652 2.420 52.252 1.00 76.61 N
673
+ ATOM 673 NH1 ARG A 89 7.989 1.293 54.156 1.00 63.12 N
674
+ ATOM 674 NH2 ARG A 89 7.012 0.817 52.138 1.00 59.82 N
675
+ ATOM 675 O ARG A 89 14.616 6.238 52.580 1.00 91.34 O
676
+ ATOM 676 C LYS A 90 14.222 7.626 55.038 1.00 90.36 C
677
+ ATOM 677 CA LYS A 90 13.592 8.399 53.882 1.00 90.24 C
678
+ ATOM 678 CB LYS A 90 12.696 9.514 54.424 1.00 88.35 C
679
+ ATOM 679 CD LYS A 90 12.515 11.727 55.611 1.00 78.00 C
680
+ ATOM 680 CE LYS A 90 13.264 12.812 56.371 1.00 69.51 C
681
+ ATOM 681 CG LYS A 90 13.453 10.623 55.141 1.00 81.20 C
682
+ ATOM 682 N LYS A 90 12.832 7.510 53.008 1.00 90.61 N
683
+ ATOM 683 NZ LYS A 90 12.345 13.887 56.851 1.00 63.47 N
684
+ ATOM 684 O LYS A 90 13.622 6.686 55.563 1.00 89.06 O
685
+ ATOM 685 C ASN A 91 16.753 5.924 56.123 1.00 90.07 C
686
+ ATOM 686 CA ASN A 91 16.262 7.323 56.484 1.00 89.47 C
687
+ ATOM 687 CB ASN A 91 15.438 7.280 57.772 1.00 87.19 C
688
+ ATOM 688 CG ASN A 91 15.096 8.663 58.292 1.00 79.35 C
689
+ ATOM 689 N ASN A 91 15.488 7.916 55.399 1.00 89.42 N
690
+ ATOM 690 ND2 ASN A 91 13.901 8.806 58.852 1.00 71.67 N
691
+ ATOM 691 O ASN A 91 17.023 5.109 57.006 1.00 88.79 O
692
+ ATOM 692 OD1 ASN A 91 15.899 9.594 58.190 1.00 71.97 O
693
+ ATOM 693 C GLN A 92 18.455 4.783 53.269 1.00 91.93 C
694
+ ATOM 694 CA GLN A 92 17.351 4.444 54.267 1.00 92.00 C
695
+ ATOM 695 CB GLN A 92 16.297 3.558 53.602 1.00 91.39 C
696
+ ATOM 696 CD GLN A 92 14.260 2.083 53.897 1.00 88.72 C
697
+ ATOM 697 CG GLN A 92 15.249 3.018 54.566 1.00 89.98 C
698
+ ATOM 698 N GLN A 92 16.738 5.654 54.805 1.00 91.85 N
699
+ ATOM 699 NE2 GLN A 92 13.793 1.083 54.637 1.00 88.06 N
700
+ ATOM 700 O GLN A 92 18.506 5.900 52.750 1.00 91.20 O
701
+ ATOM 701 OE1 GLN A 92 13.917 2.258 52.723 1.00 87.31 O
702
+ ATOM 702 C TYR A 93 20.451 2.827 51.218 1.00 92.07 C
703
+ ATOM 703 CA TYR A 93 20.394 4.057 52.117 1.00 91.98 C
704
+ ATOM 704 CB TYR A 93 21.754 4.280 52.783 1.00 91.25 C
705
+ ATOM 705 CD1 TYR A 93 21.882 2.572 54.640 1.00 86.51 C
706
+ ATOM 706 CD2 TYR A 93 23.341 2.319 52.765 1.00 86.52 C
707
+ ATOM 707 CE1 TYR A 93 22.416 1.426 55.219 1.00 85.99 C
708
+ ATOM 708 CE2 TYR A 93 23.883 1.172 53.335 1.00 86.27 C
709
+ ATOM 709 CG TYR A 93 22.336 3.034 53.407 1.00 89.44 C
710
+ ATOM 710 CZ TYR A 93 23.415 0.733 54.560 1.00 84.37 C
711
+ ATOM 711 N TYR A 93 19.347 3.921 53.122 1.00 91.88 N
712
+ ATOM 712 O TYR A 93 19.973 1.754 51.594 1.00 91.42 O
713
+ ATOM 713 OH TYR A 93 23.947 -0.402 55.129 1.00 81.85 O
714
+ ATOM 714 C ARG A 94 22.407 1.030 49.373 1.00 91.66 C
715
+ ATOM 715 CA ARG A 94 21.197 1.901 49.056 1.00 91.93 C
716
+ ATOM 716 CB ARG A 94 21.326 2.485 47.647 1.00 90.72 C
717
+ ATOM 717 CD ARG A 94 20.253 3.750 45.752 1.00 83.47 C
718
+ ATOM 718 CG ARG A 94 20.082 3.216 47.167 1.00 86.33 C
719
+ ATOM 719 CZ ARG A 94 18.955 5.089 44.128 1.00 77.99 C
720
+ ATOM 720 N ARG A 94 21.047 2.967 50.041 1.00 92.13 N
721
+ ATOM 721 NE ARG A 94 19.098 4.538 45.330 1.00 79.51 N
722
+ ATOM 722 NH1 ARG A 94 19.895 4.946 43.200 1.00 65.86 N
723
+ ATOM 723 NH2 ARG A 94 17.863 5.787 43.850 1.00 64.70 N
724
+ ATOM 724 O ARG A 94 23.532 1.527 49.459 1.00 90.41 O
725
+ ATOM 725 C HIS A 95 23.371 -1.971 48.348 1.00 91.59 C
726
+ ATOM 726 CA HIS A 95 23.274 -1.181 49.649 1.00 91.19 C
727
+ ATOM 727 CB HIS A 95 23.050 -2.133 50.825 1.00 90.10 C
728
+ ATOM 728 CD2 HIS A 95 24.144 -4.480 50.670 1.00 80.09 C
729
+ ATOM 729 CE1 HIS A 95 26.099 -3.970 51.520 1.00 79.79 C
730
+ ATOM 730 CG HIS A 95 24.125 -3.162 50.977 1.00 85.59 C
731
+ ATOM 731 N HIS A 95 22.206 -0.189 49.584 1.00 91.34 N
732
+ ATOM 732 ND1 HIS A 95 25.363 -2.871 51.508 1.00 79.63 N
733
+ ATOM 733 NE2 HIS A 95 25.383 -4.960 51.017 1.00 78.87 N
734
+ ATOM 734 O HIS A 95 22.433 -2.678 47.973 1.00 90.91 O
735
+ ATOM 735 C TYR A 96 25.167 -3.913 46.448 1.00 89.73 C
736
+ ATOM 736 CA TYR A 96 24.607 -2.500 46.327 1.00 90.09 C
737
+ ATOM 737 CB TYR A 96 25.519 -1.651 45.437 1.00 89.04 C
738
+ ATOM 738 CD1 TYR A 96 24.211 -0.423 43.660 1.00 85.09 C
739
+ ATOM 739 CD2 TYR A 96 24.867 0.779 45.617 1.00 85.25 C
740
+ ATOM 740 CE1 TYR A 96 23.598 0.719 43.155 1.00 84.89 C
741
+ ATOM 741 CE2 TYR A 96 24.257 1.928 45.123 1.00 85.02 C
742
+ ATOM 742 CG TYR A 96 24.854 -0.409 44.896 1.00 87.64 C
743
+ ATOM 743 CZ TYR A 96 23.626 1.888 43.894 1.00 82.98 C
744
+ ATOM 744 N TYR A 96 24.455 -1.885 47.641 1.00 90.01 N
745
+ ATOM 745 O TYR A 96 26.198 -4.126 47.091 1.00 88.51 O
746
+ ATOM 746 OH TYR A 96 23.022 3.022 43.399 1.00 82.02 O
747
+ ATOM 747 C TRP A 97 25.641 -6.518 44.446 1.00 88.95 C
748
+ ATOM 748 CA TRP A 97 24.892 -6.261 45.749 1.00 90.46 C
749
+ ATOM 749 CB TRP A 97 23.704 -7.219 45.867 1.00 88.74 C
750
+ ATOM 750 CD1 TRP A 97 21.857 -6.567 47.526 1.00 73.92 C
751
+ ATOM 751 CD2 TRP A 97 23.494 -7.814 48.408 1.00 75.27 C
752
+ ATOM 752 CE2 TRP A 97 22.550 -7.525 49.419 1.00 77.94 C
753
+ ATOM 753 CE3 TRP A 97 24.617 -8.588 48.729 1.00 77.15 C
754
+ ATOM 754 CG TRP A 97 23.030 -7.191 47.206 1.00 81.25 C
755
+ ATOM 755 CH2 TRP A 97 23.804 -8.740 51.017 1.00 76.33 C
756
+ ATOM 756 CZ2 TRP A 97 22.697 -7.985 50.731 1.00 78.15 C
757
+ ATOM 757 CZ3 TRP A 97 24.760 -9.045 50.035 1.00 76.95 C
758
+ ATOM 758 N TRP A 97 24.443 -4.874 45.828 1.00 90.08 N
759
+ ATOM 759 NE1 TRP A 97 21.563 -6.764 48.856 1.00 79.72 N
760
+ ATOM 760 O TRP A 97 26.520 -7.380 44.387 1.00 86.27 O
761
+ ATOM 761 C SER A 98 25.606 -4.289 41.543 1.00 87.15 C
762
+ ATOM 762 CA SER A 98 25.808 -5.667 42.164 1.00 87.78 C
763
+ ATOM 763 CB SER A 98 25.247 -6.744 41.235 1.00 86.25 C
764
+ ATOM 764 N SER A 98 25.183 -5.750 43.481 1.00 88.19 N
765
+ ATOM 765 O SER A 98 24.970 -3.419 42.142 1.00 84.98 O
766
+ ATOM 766 OG SER A 98 23.921 -6.428 40.845 1.00 80.16 O
767
+ ATOM 767 C GLU A 99 24.595 -2.210 39.604 1.00 84.49 C
768
+ ATOM 768 CA GLU A 99 26.040 -2.664 39.783 1.00 85.71 C
769
+ ATOM 769 CB GLU A 99 26.749 -2.710 38.427 1.00 82.94 C
770
+ ATOM 770 CD GLU A 99 27.752 -1.398 36.498 1.00 71.07 C
771
+ ATOM 771 CG GLU A 99 26.979 -1.341 37.806 1.00 74.69 C
772
+ ATOM 772 N GLU A 99 26.108 -3.965 40.443 1.00 87.02 N
773
+ ATOM 773 O GLU A 99 24.286 -1.027 39.760 1.00 81.12 O
774
+ ATOM 774 OE1 GLU A 99 28.211 -2.496 36.110 1.00 68.23 O
775
+ ATOM 775 OE2 GLU A 99 27.902 -0.334 35.855 1.00 65.69 O
776
+ ATOM 776 C ASN A 100 21.281 -3.230 40.146 1.00 84.17 C
777
+ ATOM 777 CA ASN A 100 22.273 -2.677 39.126 1.00 84.11 C
778
+ ATOM 778 CB ASN A 100 21.900 -3.143 37.718 1.00 80.81 C
779
+ ATOM 779 CG ASN A 100 22.743 -2.485 36.642 1.00 74.06 C
780
+ ATOM 780 N ASN A 100 23.643 -3.063 39.447 1.00 84.61 N
781
+ ATOM 781 ND2 ASN A 100 23.058 -3.237 35.594 1.00 67.59 N
782
+ ATOM 782 O ASN A 100 20.070 -3.202 39.920 1.00 81.11 O
783
+ ATOM 783 OD1 ASN A 100 23.108 -1.313 36.754 1.00 68.64 O
784
+ ATOM 784 C LEU A 101 21.327 -3.848 43.593 1.00 91.09 C
785
+ ATOM 785 CA LEU A 101 21.033 -4.440 42.219 1.00 90.63 C
786
+ ATOM 786 CB LEU A 101 21.261 -5.954 42.242 1.00 88.92 C
787
+ ATOM 787 CD1 LEU A 101 18.929 -6.665 42.830 1.00 78.53 C
788
+ ATOM 788 CD2 LEU A 101 20.858 -8.207 43.270 1.00 79.34 C
789
+ ATOM 789 CG LEU A 101 20.401 -6.754 43.222 1.00 83.75 C
790
+ ATOM 790 N LEU A 101 21.861 -3.814 41.194 1.00 90.02 N
791
+ ATOM 791 O LEU A 101 22.434 -4.002 44.115 1.00 90.36 O
792
+ ATOM 792 C PHE A 102 19.401 -2.888 46.354 1.00 92.29 C
793
+ ATOM 793 CA PHE A 102 20.590 -2.579 45.452 1.00 92.09 C
794
+ ATOM 794 CB PHE A 102 20.801 -1.065 45.361 1.00 91.62 C
795
+ ATOM 795 CD1 PHE A 102 19.324 -0.038 43.602 1.00 90.33 C
796
+ ATOM 796 CD2 PHE A 102 18.663 0.145 45.892 1.00 90.37 C
797
+ ATOM 797 CE1 PHE A 102 18.188 0.665 43.212 1.00 89.58 C
798
+ ATOM 798 CE2 PHE A 102 17.524 0.849 45.511 1.00 89.57 C
799
+ ATOM 799 CG PHE A 102 19.572 -0.305 44.943 1.00 91.44 C
800
+ ATOM 800 CZ PHE A 102 17.289 1.109 44.170 1.00 88.52 C
801
+ ATOM 801 N PHE A 102 20.395 -3.151 44.125 1.00 91.77 N
802
+ ATOM 802 O PHE A 102 18.292 -3.124 45.869 1.00 91.71 O
803
+ ATOM 803 C GLN A 103 18.683 -1.984 49.599 1.00 93.44 C
804
+ ATOM 804 CA GLN A 103 18.672 -3.169 48.637 1.00 93.24 C
805
+ ATOM 805 CB GLN A 103 18.932 -4.468 49.401 1.00 92.20 C
806
+ ATOM 806 CD GLN A 103 18.030 -6.179 51.033 1.00 85.02 C
807
+ ATOM 807 CG GLN A 103 17.870 -4.791 50.444 1.00 87.99 C
808
+ ATOM 808 N GLN A 103 19.656 -2.993 47.574 1.00 93.15 N
809
+ ATOM 809 NE2 GLN A 103 17.122 -6.551 51.930 1.00 81.57 N
810
+ ATOM 810 O GLN A 103 19.725 -1.358 49.808 1.00 92.95 O
811
+ ATOM 811 OE1 GLN A 103 18.961 -6.912 50.686 1.00 83.16 O
812
+ ATOM 812 C CYS A 104 17.567 -0.945 52.429 1.00 92.87 C
813
+ ATOM 813 CA CYS A 104 17.431 -0.494 50.980 1.00 93.31 C
814
+ ATOM 814 CB CYS A 104 16.098 0.228 50.784 1.00 92.59 C
815
+ ATOM 815 N CYS A 104 17.538 -1.627 50.068 1.00 93.27 N
816
+ ATOM 816 O CYS A 104 16.800 -1.789 52.895 1.00 91.79 O
817
+ ATOM 817 SG CYS A 104 15.925 1.010 49.165 1.00 91.79 S
818
+ ATOM 818 C PHE A 105 18.461 0.637 55.342 1.00 91.23 C
819
+ ATOM 819 CA PHE A 105 18.703 -0.620 54.514 1.00 91.30 C
820
+ ATOM 820 CB PHE A 105 20.125 -1.138 54.748 1.00 90.45 C
821
+ ATOM 821 CD1 PHE A 105 19.686 -3.613 54.845 1.00 85.34 C
822
+ ATOM 822 CD2 PHE A 105 21.220 -2.792 53.205 1.00 85.15 C
823
+ ATOM 823 CE1 PHE A 105 19.891 -4.914 54.392 1.00 84.43 C
824
+ ATOM 824 CE2 PHE A 105 21.430 -4.090 52.747 1.00 85.02 C
825
+ ATOM 825 CG PHE A 105 20.348 -2.542 54.256 1.00 88.30 C
826
+ ATOM 826 CZ PHE A 105 20.765 -5.149 53.342 1.00 82.01 C
827
+ ATOM 827 N PHE A 105 18.479 -0.358 53.097 1.00 91.44 N
828
+ ATOM 828 O PHE A 105 18.659 1.754 54.857 1.00 90.44 O
829
+ ATOM 829 C ASN A 106 19.250 2.210 57.765 1.00 90.06 C
830
+ ATOM 830 CA ASN A 106 17.905 1.581 57.411 1.00 90.03 C
831
+ ATOM 831 CB ASN A 106 17.170 1.150 58.682 1.00 88.99 C
832
+ ATOM 832 CG ASN A 106 15.727 0.767 58.421 1.00 86.13 C
833
+ ATOM 833 N ASN A 106 18.063 0.452 56.502 1.00 90.22 N
834
+ ATOM 834 ND2 ASN A 106 15.211 -0.173 59.204 1.00 83.14 N
835
+ ATOM 835 O ASN A 106 20.244 1.502 57.933 1.00 89.17 O
836
+ ATOM 836 OD1 ASN A 106 15.080 1.311 57.522 1.00 83.57 O
837
+ ATOM 837 C CYS A 107 20.883 3.807 59.703 1.00 88.80 C
838
+ ATOM 838 CA CYS A 107 20.482 4.157 58.274 1.00 89.37 C
839
+ ATOM 839 CB CYS A 107 20.277 5.666 58.146 1.00 88.57 C
840
+ ATOM 840 N CYS A 107 19.272 3.441 57.883 1.00 89.67 N
841
+ ATOM 841 O CYS A 107 20.024 3.636 60.569 1.00 87.46 O
842
+ ATOM 842 SG CYS A 107 20.038 6.226 56.447 1.00 89.53 S
843
+ ATOM 843 C SER A 108 22.461 4.458 62.218 1.00 85.73 C
844
+ ATOM 844 CA SER A 108 22.663 3.286 61.263 1.00 85.72 C
845
+ ATOM 845 CB SER A 108 24.147 2.925 61.193 1.00 84.49 C
846
+ ATOM 846 N SER A 108 22.147 3.593 59.933 1.00 86.39 N
847
+ ATOM 847 O SER A 108 22.547 5.618 61.812 1.00 84.17 O
848
+ ATOM 848 OG SER A 108 24.342 1.741 60.438 1.00 77.54 O
849
+ ATOM 849 C LEU A 109 23.294 5.164 65.255 1.00 82.00 C
850
+ ATOM 850 CA LEU A 109 21.982 5.054 64.484 1.00 82.83 C
851
+ ATOM 851 CB LEU A 109 20.846 4.678 65.440 1.00 80.92 C
852
+ ATOM 852 CD1 LEU A 109 18.466 3.995 65.833 1.00 73.09 C
853
+ ATOM 853 CD2 LEU A 109 18.978 5.955 64.352 1.00 72.81 C
854
+ ATOM 854 CG LEU A 109 19.448 4.584 64.826 1.00 76.66 C
855
+ ATOM 855 N LEU A 109 22.091 4.073 63.410 1.00 84.10 N
856
+ ATOM 856 O LEU A 109 23.990 4.165 65.450 1.00 78.60 O
857
+ ATOM 857 C CYS A 110 24.962 6.689 67.610 1.00 83.27 C
858
+ ATOM 858 CA CYS A 110 25.198 6.479 66.120 1.00 83.88 C
859
+ ATOM 859 CB CYS A 110 25.877 7.710 65.522 1.00 81.39 C
860
+ ATOM 860 N CYS A 110 23.944 6.200 65.427 1.00 84.33 N
861
+ ATOM 861 O CYS A 110 25.377 7.706 68.171 1.00 79.77 O
862
+ ATOM 862 SG CYS A 110 27.095 7.323 64.247 1.00 76.65 S
863
+ ATOM 863 C LEU A 111 25.006 6.317 70.637 1.00 82.67 C
864
+ ATOM 864 CA LEU A 111 23.812 6.045 69.728 1.00 83.28 C
865
+ ATOM 865 CB LEU A 111 23.018 4.847 70.254 1.00 81.34 C
866
+ ATOM 866 CD1 LEU A 111 21.136 3.208 70.004 1.00 72.05 C
867
+ ATOM 867 CD2 LEU A 111 20.682 5.671 69.847 1.00 72.11 C
868
+ ATOM 868 CG LEU A 111 21.685 4.560 69.559 1.00 76.34 C
869
+ ATOM 869 N LEU A 111 24.246 5.808 68.356 1.00 84.51 N
870
+ ATOM 870 O LEU A 111 24.967 7.233 71.463 1.00 78.83 O
871
+ ATOM 871 C ASN A 112 28.482 6.457 70.478 1.00 83.70 C
872
+ ATOM 872 CA ASN A 112 27.312 5.921 71.298 1.00 83.76 C
873
+ ATOM 873 CB ASN A 112 27.697 4.603 71.974 1.00 81.57 C
874
+ ATOM 874 CG ASN A 112 26.635 4.107 72.936 1.00 77.82 C
875
+ ATOM 875 N ASN A 112 26.119 5.744 70.477 1.00 83.78 N
876
+ ATOM 876 ND2 ASN A 112 26.318 2.821 72.858 1.00 74.39 N
877
+ ATOM 877 O ASN A 112 29.619 6.013 70.648 1.00 81.11 O
878
+ ATOM 878 OD1 ASN A 112 26.104 4.876 73.742 1.00 74.50 O
879
+ ATOM 879 C GLY A 113 28.834 9.269 68.234 1.00 85.38 C
880
+ ATOM 880 CA GLY A 113 29.185 7.911 68.813 1.00 85.67 C
881
+ ATOM 881 N GLY A 113 28.160 7.384 69.700 1.00 85.52 N
882
+ ATOM 882 O GLY A 113 27.814 9.858 68.597 1.00 82.94 O
883
+ ATOM 883 C THR A 114 29.345 10.826 65.232 1.00 87.48 C
884
+ ATOM 884 CA THR A 114 29.479 11.077 66.731 1.00 86.82 C
885
+ ATOM 885 CB THR A 114 30.640 12.056 66.988 1.00 85.22 C
886
+ ATOM 886 CG2 THR A 114 30.356 13.420 66.368 1.00 77.36 C
887
+ ATOM 887 N THR A 114 29.677 9.823 67.449 1.00 86.87 N
888
+ ATOM 888 O THR A 114 30.118 10.061 64.653 1.00 86.51 O
889
+ ATOM 889 OG1 THR A 114 30.819 12.214 68.401 1.00 78.77 O
890
+ ATOM 890 C VAL A 115 29.153 12.129 62.449 1.00 87.42 C
891
+ ATOM 891 CA VAL A 115 28.102 11.332 63.219 1.00 87.33 C
892
+ ATOM 892 CB VAL A 115 26.684 11.798 62.823 1.00 85.96 C
893
+ ATOM 893 CG1 VAL A 115 26.490 11.715 61.310 1.00 80.92 C
894
+ ATOM 894 CG2 VAL A 115 25.627 10.966 63.547 1.00 81.20 C
895
+ ATOM 895 N VAL A 115 28.331 11.469 64.653 1.00 87.25 N
896
+ ATOM 896 O VAL A 115 29.271 13.344 62.624 1.00 86.06 O
897
+ ATOM 897 C HIS A 116 30.352 12.383 59.462 1.00 87.18 C
898
+ ATOM 898 CA HIS A 116 30.940 12.035 60.825 1.00 86.87 C
899
+ ATOM 899 CB HIS A 116 32.171 11.142 60.653 1.00 84.19 C
900
+ ATOM 900 CD2 HIS A 116 34.386 12.489 60.591 1.00 66.52 C
901
+ ATOM 901 CE1 HIS A 116 34.622 12.602 58.414 1.00 63.46 C
902
+ ATOM 902 CG HIS A 116 33.337 11.842 60.032 1.00 73.69 C
903
+ ATOM 903 N HIS A 116 29.951 11.382 61.675 1.00 86.93 N
904
+ ATOM 904 ND1 HIS A 116 33.512 11.929 58.667 1.00 58.67 N
905
+ ATOM 905 NE2 HIS A 116 35.171 12.954 59.564 1.00 58.85 N
906
+ ATOM 906 O HIS A 116 30.613 13.463 58.926 1.00 85.60 O
907
+ ATOM 907 C LEU A 117 27.400 11.176 57.880 1.00 88.03 C
908
+ ATOM 908 CA LEU A 117 28.851 11.632 57.748 1.00 87.33 C
909
+ ATOM 909 CB LEU A 117 29.536 10.869 56.612 1.00 85.48 C
910
+ ATOM 910 CD1 LEU A 117 31.597 10.323 55.293 1.00 73.60 C
911
+ ATOM 911 CD2 LEU A 117 30.932 12.717 55.643 1.00 73.77 C
912
+ ATOM 912 CG LEU A 117 30.953 11.318 56.251 1.00 79.31 C
913
+ ATOM 913 N LEU A 117 29.572 11.440 59.001 1.00 87.21 N
914
+ ATOM 914 O LEU A 117 27.137 10.033 58.259 1.00 87.27 O
915
+ ATOM 915 C SER A 118 24.679 10.760 56.599 1.00 88.20 C
916
+ ATOM 916 CA SER A 118 25.099 11.714 57.712 1.00 87.54 C
917
+ ATOM 917 CB SER A 118 24.256 12.988 57.650 1.00 85.78 C
918
+ ATOM 918 N SER A 118 26.520 12.036 57.625 1.00 87.54 N
919
+ ATOM 919 O SER A 118 25.324 10.699 55.550 1.00 87.38 O
920
+ ATOM 920 OG SER A 118 24.536 13.719 56.468 1.00 75.22 O
921
+ ATOM 921 C CYS A 119 22.639 9.648 54.758 1.00 88.52 C
922
+ ATOM 922 CA CYS A 119 23.139 8.952 56.018 1.00 88.72 C
923
+ ATOM 923 CB CYS A 119 21.991 8.192 56.681 1.00 87.65 C
924
+ ATOM 924 N CYS A 119 23.723 9.911 56.949 1.00 88.85 N
925
+ ATOM 925 O CYS A 119 21.935 10.656 54.839 1.00 87.27 O
926
+ ATOM 926 SG CYS A 119 21.238 6.938 55.620 1.00 87.78 S
927
+ ATOM 927 C GLN A 120 22.144 8.502 51.558 1.00 89.01 C
928
+ ATOM 928 CA GLN A 120 22.673 9.653 52.409 1.00 88.50 C
929
+ ATOM 929 CB GLN A 120 23.823 10.355 51.687 1.00 86.74 C
930
+ ATOM 930 CD GLN A 120 25.510 12.242 51.694 1.00 76.77 C
931
+ ATOM 931 CG GLN A 120 24.376 11.560 52.435 1.00 80.15 C
932
+ ATOM 932 N GLN A 120 23.103 9.182 53.722 1.00 88.86 N
933
+ ATOM 933 NE2 GLN A 120 26.004 13.344 52.250 1.00 69.47 N
934
+ ATOM 934 O GLN A 120 22.171 7.345 51.982 1.00 87.79 O
935
+ ATOM 935 OE1 GLN A 120 25.941 11.782 50.632 1.00 72.67 O
936
+ ATOM 936 C GLU A 121 21.928 6.666 49.243 1.00 87.71 C
937
+ ATOM 937 CA GLU A 121 20.975 7.816 49.553 1.00 87.56 C
938
+ ATOM 938 CB GLU A 121 20.490 8.463 48.254 1.00 85.50 C
939
+ ATOM 939 CD GLU A 121 19.260 8.165 46.050 1.00 76.25 C
940
+ ATOM 940 CG GLU A 121 19.672 7.532 47.371 1.00 79.28 C
941
+ ATOM 941 N GLU A 121 21.607 8.809 50.416 1.00 88.03 N
942
+ ATOM 942 O GLU A 121 21.538 5.497 49.301 1.00 85.61 O
943
+ ATOM 943 OE1 GLU A 121 19.536 9.369 45.842 1.00 72.87 O
944
+ ATOM 944 OE2 GLU A 121 18.655 7.452 45.219 1.00 70.92 O
945
+ ATOM 945 C LYS A 122 25.164 5.561 49.658 1.00 86.31 C
946
+ ATOM 946 CA LYS A 122 24.148 5.859 48.560 1.00 86.63 C
947
+ ATOM 947 CB LYS A 122 24.870 6.272 47.276 1.00 83.87 C
948
+ ATOM 948 CD LYS A 122 24.757 6.659 44.791 1.00 76.59 C
949
+ ATOM 949 CE LYS A 122 23.853 6.732 43.568 1.00 72.07 C
950
+ ATOM 950 CG LYS A 122 23.964 6.362 46.057 1.00 78.38 C
951
+ ATOM 951 N LYS A 122 23.211 6.898 48.977 1.00 86.76 N
952
+ ATOM 952 NZ LYS A 122 24.624 7.050 42.328 1.00 64.65 N
953
+ ATOM 953 O LYS A 122 26.156 4.869 49.422 1.00 83.79 O
954
+ ATOM 954 C GLN A 123 25.262 5.950 53.207 1.00 88.37 C
955
+ ATOM 955 CA GLN A 123 25.930 6.056 51.838 1.00 87.55 C
956
+ ATOM 956 CB GLN A 123 26.913 7.228 51.824 1.00 85.64 C
957
+ ATOM 957 CD GLN A 123 29.098 6.217 52.604 1.00 76.81 C
958
+ ATOM 958 CG GLN A 123 27.960 7.166 52.928 1.00 80.02 C
959
+ ATOM 959 N GLN A 123 24.938 6.207 50.780 1.00 87.62 N
960
+ ATOM 960 NE2 GLN A 123 29.433 5.346 53.549 1.00 70.44 N
961
+ ATOM 961 O GLN A 123 24.467 6.813 53.585 1.00 87.33 O
962
+ ATOM 962 OE1 GLN A 123 29.671 6.265 51.511 1.00 72.84 O
963
+ ATOM 963 C ASN A 124 25.896 5.787 56.251 1.00 88.15 C
964
+ ATOM 964 CA ASN A 124 25.239 4.729 55.369 1.00 88.38 C
965
+ ATOM 965 CB ASN A 124 25.543 3.328 55.903 1.00 87.48 C
966
+ ATOM 966 CG ASN A 124 24.700 2.967 57.109 1.00 85.70 C
967
+ ATOM 967 N ASN A 124 25.666 4.851 53.978 1.00 88.63 N
968
+ ATOM 968 ND2 ASN A 124 24.954 1.796 57.681 1.00 82.89 N
969
+ ATOM 969 O ASN A 124 26.877 6.414 55.849 1.00 86.66 O
970
+ ATOM 970 OD1 ASN A 124 23.826 3.734 57.524 1.00 83.44 O
971
+ ATOM 971 C THR A 125 27.218 6.462 58.827 1.00 87.47 C
972
+ ATOM 972 CA THR A 125 25.826 6.943 58.429 1.00 87.71 C
973
+ ATOM 973 CB THR A 125 24.931 7.026 59.679 1.00 86.68 C
974
+ ATOM 974 CG2 THR A 125 25.450 8.076 60.657 1.00 82.19 C
975
+ ATOM 975 N THR A 125 25.244 6.063 57.421 1.00 88.09 N
976
+ ATOM 976 O THR A 125 27.437 5.263 59.014 1.00 86.08 O
977
+ ATOM 977 OG1 THR A 125 23.599 7.375 59.285 1.00 83.06 O
978
+ ATOM 978 C VAL A 126 29.662 7.565 60.780 1.00 86.57 C
979
+ ATOM 979 CA VAL A 126 29.509 7.018 59.363 1.00 86.62 C
980
+ ATOM 980 CB VAL A 126 30.600 7.610 58.442 1.00 85.39 C
981
+ ATOM 981 CG1 VAL A 126 31.993 7.290 58.981 1.00 81.40 C
982
+ ATOM 982 CG2 VAL A 126 30.441 7.081 57.018 1.00 81.50 C
983
+ ATOM 983 N VAL A 126 28.170 7.311 58.862 1.00 86.93 N
984
+ ATOM 984 O VAL A 126 29.542 8.772 61.003 1.00 85.25 O
985
+ ATOM 985 C CYS A 127 31.373 6.897 63.657 1.00 86.34 C
986
+ ATOM 986 CA CYS A 127 29.959 7.059 63.113 1.00 86.49 C
987
+ ATOM 987 CB CYS A 127 28.993 6.181 63.909 1.00 84.62 C
988
+ ATOM 988 N CYS A 127 29.905 6.723 61.695 1.00 86.85 N
989
+ ATOM 989 O CYS A 127 32.095 5.981 63.260 1.00 84.59 O
990
+ ATOM 990 SG CYS A 127 27.287 6.255 63.319 1.00 78.99 S
991
+ ATOM 991 C THR A 128 32.594 7.281 66.737 1.00 86.70 C
992
+ ATOM 992 CA THR A 128 33.021 7.536 65.294 1.00 86.34 C
993
+ ATOM 993 CB THR A 128 33.954 8.761 65.242 1.00 84.77 C
994
+ ATOM 994 CG2 THR A 128 35.237 8.508 66.025 1.00 79.17 C
995
+ ATOM 995 N THR A 128 31.857 7.721 64.435 1.00 86.71 N
996
+ ATOM 996 O THR A 128 31.891 8.096 67.335 1.00 85.59 O
997
+ ATOM 997 OG1 THR A 128 34.288 9.042 63.877 1.00 78.51 O
998
+ ATOM 998 C CYS A 129 33.278 6.549 69.646 1.00 86.97 C
999
+ ATOM 999 CA CYS A 129 32.583 5.731 68.563 1.00 86.67 C
1000
+ ATOM 1000 CB CYS A 129 32.854 4.244 68.780 1.00 85.24 C
1001
+ ATOM 1001 N CYS A 129 33.023 6.144 67.234 1.00 86.43 N
1002
+ ATOM 1002 O CYS A 129 34.447 6.911 69.502 1.00 86.03 O
1003
+ ATOM 1003 SG CYS A 129 31.987 3.168 67.617 1.00 86.60 S
1004
+ ATOM 1004 C HIS A 130 34.112 6.560 72.510 1.00 87.34 C
1005
+ ATOM 1005 CA HIS A 130 33.072 7.459 71.851 1.00 87.01 C
1006
+ ATOM 1006 CB HIS A 130 31.968 7.806 72.850 1.00 85.78 C
1007
+ ATOM 1007 CD2 HIS A 130 31.233 9.844 71.424 1.00 77.95 C
1008
+ ATOM 1008 CE1 HIS A 130 29.286 10.198 72.366 1.00 77.39 C
1009
+ ATOM 1009 CG HIS A 130 31.074 8.915 72.395 1.00 81.95 C
1010
+ ATOM 1010 N HIS A 130 32.507 6.827 70.664 1.00 87.00 N
1011
+ ATOM 1011 ND1 HIS A 130 29.845 9.162 72.968 1.00 77.95 N
1012
+ ATOM 1012 NE2 HIS A 130 30.107 10.630 71.424 1.00 76.34 N
1013
+ ATOM 1013 O HIS A 130 34.141 5.353 72.265 1.00 86.37 O
1014
+ ATOM 1014 C ALA A 131 35.391 5.279 74.819 1.00 88.09 C
1015
+ ATOM 1015 CA ALA A 131 36.043 6.378 73.984 1.00 87.66 C
1016
+ ATOM 1016 CB ALA A 131 36.864 7.304 74.878 1.00 85.51 C
1017
+ ATOM 1017 N ALA A 131 35.039 7.141 73.246 1.00 87.74 N
1018
+ ATOM 1018 O ALA A 131 34.349 5.499 75.442 1.00 86.59 O
1019
+ ATOM 1019 C GLY A 132 34.435 2.042 74.653 1.00 85.02 C
1020
+ ATOM 1020 CA GLY A 132 35.397 2.877 75.477 1.00 85.86 C
1021
+ ATOM 1021 N GLY A 132 35.920 4.026 74.755 1.00 85.59 N
1022
+ ATOM 1022 O GLY A 132 34.032 0.956 75.073 1.00 82.52 O
1023
+ ATOM 1023 C PHE A 133 33.921 1.589 71.285 1.00 84.97 C
1024
+ ATOM 1024 CA PHE A 133 33.219 1.884 72.604 1.00 85.73 C
1025
+ ATOM 1025 CB PHE A 133 31.935 2.681 72.348 1.00 84.29 C
1026
+ ATOM 1026 CD1 PHE A 133 30.066 1.933 73.857 1.00 79.57 C
1027
+ ATOM 1027 CD2 PHE A 133 31.264 3.921 74.430 1.00 79.97 C
1028
+ ATOM 1028 CE1 PHE A 133 29.265 2.085 74.986 1.00 80.10 C
1029
+ ATOM 1029 CE2 PHE A 133 30.467 4.080 75.560 1.00 79.90 C
1030
+ ATOM 1030 CG PHE A 133 31.072 2.848 73.569 1.00 82.32 C
1031
+ ATOM 1031 CZ PHE A 133 29.467 3.161 75.836 1.00 76.84 C
1032
+ ATOM 1032 N PHE A 133 34.101 2.610 73.510 1.00 85.94 N
1033
+ ATOM 1033 O PHE A 133 34.904 2.247 70.938 1.00 82.17 O
1034
+ ATOM 1034 C PHE A 134 33.001 -0.059 68.256 1.00 84.93 C
1035
+ ATOM 1035 CA PHE A 134 34.121 0.163 69.267 1.00 85.38 C
1036
+ ATOM 1036 CB PHE A 134 34.993 -1.091 69.367 1.00 82.62 C
1037
+ ATOM 1037 CD1 PHE A 134 34.059 -2.523 71.213 1.00 70.32 C
1038
+ ATOM 1038 CD2 PHE A 134 33.754 -3.239 68.951 1.00 71.20 C
1039
+ ATOM 1039 CE1 PHE A 134 33.375 -3.649 71.666 1.00 68.48 C
1040
+ ATOM 1040 CE2 PHE A 134 33.070 -4.366 69.396 1.00 68.99 C
1041
+ ATOM 1041 CG PHE A 134 34.254 -2.309 69.854 1.00 76.16 C
1042
+ ATOM 1042 CZ PHE A 134 32.882 -4.569 70.755 1.00 65.87 C
1043
+ ATOM 1043 N PHE A 134 33.577 0.515 70.574 1.00 85.32 N
1044
+ ATOM 1044 O PHE A 134 31.857 -0.316 68.637 1.00 82.45 O
1045
+ ATOM 1045 C LEU A 135 32.065 -1.481 65.663 1.00 82.15 C
1046
+ ATOM 1046 CA LEU A 135 32.363 -0.009 65.925 1.00 82.51 C
1047
+ ATOM 1047 CB LEU A 135 32.932 0.643 64.661 1.00 80.10 C
1048
+ ATOM 1048 CD1 LEU A 135 30.996 1.961 63.766 1.00 68.51 C
1049
+ ATOM 1049 CD2 LEU A 135 32.725 1.049 62.192 1.00 68.80 C
1050
+ ATOM 1050 CG LEU A 135 31.961 0.812 63.491 1.00 74.35 C
1051
+ ATOM 1051 N LEU A 135 33.291 0.145 67.040 1.00 82.83 N
1052
+ ATOM 1052 O LEU A 135 32.986 -2.283 65.492 1.00 79.29 O
1053
+ ATOM 1053 C ARG A 136 29.162 -3.049 64.461 1.00 81.61 C
1054
+ ATOM 1054 CA ARG A 136 30.337 -3.130 65.431 1.00 81.77 C
1055
+ ATOM 1055 CB ARG A 136 29.946 -3.953 66.660 1.00 79.94 C
1056
+ ATOM 1056 CD ARG A 136 29.242 -6.179 67.607 1.00 73.44 C
1057
+ ATOM 1057 CG ARG A 136 29.629 -5.409 66.353 1.00 75.28 C
1058
+ ATOM 1058 CZ ARG A 136 28.308 -8.395 68.183 1.00 67.57 C
1059
+ ATOM 1059 N ARG A 136 30.783 -1.799 65.826 1.00 82.58 N
1060
+ ATOM 1060 NE ARG A 136 28.750 -7.516 67.287 1.00 66.31 N
1061
+ ATOM 1061 NH1 ARG A 136 28.286 -8.093 69.476 1.00 59.84 N
1062
+ ATOM 1062 NH2 ARG A 136 27.882 -9.583 67.783 1.00 57.05 N
1063
+ ATOM 1063 O ARG A 136 28.114 -2.491 64.794 1.00 78.98 O
1064
+ ATOM 1064 C GLU A 137 27.712 -2.264 62.002 1.00 77.30 C
1065
+ ATOM 1065 CA GLU A 137 28.338 -3.638 62.222 1.00 77.50 C
1066
+ ATOM 1066 CB GLU A 137 27.256 -4.656 62.588 1.00 74.86 C
1067
+ ATOM 1067 CD GLU A 137 26.646 -7.102 62.909 1.00 67.43 C
1068
+ ATOM 1068 CG GLU A 137 27.742 -6.098 62.588 1.00 70.44 C
1069
+ ATOM 1069 N GLU A 137 29.367 -3.589 63.256 1.00 78.60 N
1070
+ ATOM 1070 O GLU A 137 26.486 -2.129 61.983 1.00 73.09 O
1071
+ ATOM 1071 OE1 GLU A 137 25.510 -6.679 63.223 1.00 65.99 O
1072
+ ATOM 1072 OE2 GLU A 137 26.926 -8.319 62.848 1.00 63.20 O
1073
+ ATOM 1073 C ASN A 138 27.427 0.888 62.794 1.00 76.11 C
1074
+ ATOM 1074 CA ASN A 138 28.153 0.218 61.631 1.00 75.77 C
1075
+ ATOM 1075 CB ASN A 138 27.313 0.310 60.357 1.00 72.47 C
1076
+ ATOM 1076 CG ASN A 138 28.147 0.195 59.096 1.00 67.84 C
1077
+ ATOM 1077 N ASN A 138 28.476 -1.173 61.932 1.00 76.43 N
1078
+ ATOM 1078 ND2 ASN A 138 27.493 -0.079 57.974 1.00 62.22 N
1079
+ ATOM 1079 O ASN A 138 26.753 1.904 62.608 1.00 71.91 O
1080
+ ATOM 1080 OD1 ASN A 138 29.371 0.351 59.131 1.00 62.65 O
1081
+ ATOM 1081 C GLU A 139 27.998 0.883 66.252 1.00 80.51 C
1082
+ ATOM 1082 CA GLU A 139 26.929 0.777 65.168 1.00 79.24 C
1083
+ ATOM 1083 CB GLU A 139 25.750 -0.060 65.672 1.00 76.45 C
1084
+ ATOM 1084 CD GLU A 139 23.303 -0.676 65.382 1.00 68.39 C
1085
+ ATOM 1085 CG GLU A 139 24.517 0.020 64.785 1.00 70.98 C
1086
+ ATOM 1086 N GLU A 139 27.476 0.207 63.941 1.00 79.23 N
1087
+ ATOM 1087 O GLU A 139 28.815 -0.026 66.416 1.00 79.61 O
1088
+ ATOM 1088 OE1 GLU A 139 23.443 -1.349 66.429 1.00 65.27 O
1089
+ ATOM 1089 OE2 GLU A 139 22.204 -0.548 64.798 1.00 63.95 O
1090
+ ATOM 1090 C CYS A 140 28.632 1.387 69.280 1.00 80.75 C
1091
+ ATOM 1091 CA CYS A 140 29.072 2.139 68.030 1.00 81.75 C
1092
+ ATOM 1092 CB CYS A 140 29.230 3.626 68.349 1.00 79.70 C
1093
+ ATOM 1093 N CYS A 140 28.118 1.947 66.943 1.00 81.38 N
1094
+ ATOM 1094 O CYS A 140 27.437 1.297 69.567 1.00 78.12 O
1095
+ ATOM 1095 SG CYS A 140 30.118 4.552 67.077 1.00 86.26 S
1096
+ TER 1096 CYS A 140
1097
+ END
1ft4/1ft4_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1g9r/1g9r_ligand.mol2 ADDED
@@ -0,0 +1,132 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1g9r_ligand
7
+ 57 59 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N1 27.1630 44.4560 57.5030 N.am 1 UPF -0.1592
14
+ 2 C2 27.5340 43.7960 56.3230 C.2 1 UPF 0.3328
15
+ 3 N3 26.6600 44.0740 55.2470 N.am 1 UPF -0.1865
16
+ 4 C4 25.5010 44.9260 55.2740 C.2 1 UPF 0.1822
17
+ 5 C5 25.2030 45.5630 56.5200 C.2 1 UPF 0.0062
18
+ 6 C6 25.9940 45.3320 57.5600 C.2 1 UPF 0.0591
19
+ 7 O2 28.5080 43.0600 56.2490 O.2 1 UPF -0.3815
20
+ 8 O4 24.8430 45.0630 54.2610 O.2 1 UPF -0.4124
21
+ 9 C1' 27.8490 44.3980 58.8810 C.3 1 UPF 0.2059
22
+ 10 C2' 29.1310 45.2080 58.7930 C.3 1 UPF 0.1387
23
+ 11 O2' 30.2360 44.4440 59.2660 O.3 1 UPF -0.3836
24
+ 12 C3' 28.8440 46.4400 59.6380 C.3 1 UPF 0.1149
25
+ 13 C4' 28.0680 45.8110 60.7880 C.3 1 UPF 0.1189
26
+ 14 O4' 27.2480 44.7610 60.1030 O.3 1 UPF -0.3363
27
+ 15 O3' 29.9230 47.2210 60.1170 O.3 1 UPF -0.3864
28
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1g9r/1g9r_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1g9r/1g9r_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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1x70/1x70_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1x70/1x70_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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2etr/2etr_protein_esmfold_aligned_tr_fix.pdb ADDED
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2etr/2etr_protein_processed_fix.pdb ADDED
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