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linbc20 commited on
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1 Parent(s): a89753e

Add batch 145

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  1. 1efy/1efy_ligand.mol2 +84 -0
  2. 1efy/1efy_ligand.sdf +72 -0
  3. 1efy/1efy_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1efy/1efy_protein_processed_fix.pdb +0 -0
  5. 1g9a/1g9a_ligand.mol2 +105 -0
  6. 1g9a/1g9a_ligand.sdf +87 -0
  7. 1g9a/1g9a_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1g9a/1g9a_protein_processed_fix.pdb +0 -0
  9. 1ibg/1ibg_ligand.mol2 +191 -0
  10. 1ibg/1ibg_ligand.sdf +181 -0
  11. 1ibg/1ibg_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1ibg/1ibg_protein_processed_fix.pdb +0 -0
  13. 1o3c/1o3c_ligand.mol2 +103 -0
  14. 1o3c/1o3c_ligand.sdf +89 -0
  15. 1o3c/1o3c_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1o3c/1o3c_protein_processed_fix.pdb +0 -0
  17. 1pxo/1pxo_ligand.mol2 +88 -0
  18. 1pxo/1pxo_ligand.sdf +78 -0
  19. 1pxo/1pxo_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1pxo/1pxo_protein_processed_fix.pdb +0 -0
  21. 1q63/1q63_ligand.mol2 +82 -0
  22. 1q63/1q63_ligand.sdf +70 -0
  23. 1q63/1q63_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1q63/1q63_protein_processed_fix.pdb +0 -0
  25. 1qpe/1qpe_protein_esmfold_aligned_tr_fix.pdb +0 -0
  26. 1qpe/1qpe_protein_processed_fix.pdb +0 -0
  27. 1ru2/1ru2_ligand.mol2 +108 -0
  28. 1ru2/1ru2_ligand.sdf +106 -0
  29. 1ru2/1ru2_protein_esmfold_aligned_tr_fix.pdb +1163 -0
  30. 1ru2/1ru2_protein_processed_fix.pdb +0 -0
  31. 1w31/1w31_ligand.mol2 +49 -0
  32. 1w31/1w31_ligand.sdf +41 -0
  33. 1w31/1w31_protein_esmfold_aligned_tr_fix.pdb +0 -0
  34. 1w31/1w31_protein_processed_fix.pdb +0 -0
  35. 1ysi/1ysi_ligand.mol2 +139 -0
  36. 1ysi/1ysi_ligand.sdf +129 -0
  37. 1ysi/1ysi_protein_esmfold_aligned_tr_fix.pdb +0 -0
  38. 1ysi/1ysi_protein_processed_fix.pdb +0 -0
  39. 1yw8/1yw8_ligand.mol2 +96 -0
  40. 1yw8/1yw8_ligand.sdf +88 -0
  41. 1yw8/1yw8_protein_esmfold_aligned_tr_fix.pdb +0 -0
  42. 1yw8/1yw8_protein_processed_fix.pdb +0 -0
  43. 1zzl/1zzl_ligand.mol2 +97 -0
  44. 1zzl/1zzl_ligand.sdf +87 -0
  45. 1zzl/1zzl_protein_esmfold_aligned_tr_fix.pdb +0 -0
  46. 1zzl/1zzl_protein_processed_fix.pdb +0 -0
  47. 2ay5/2ay5_ligand.mol2 +65 -0
  48. 2ay5/2ay5_ligand.sdf +55 -0
  49. 2ay5/2ay5_protein_esmfold_aligned_tr_fix.pdb +0 -0
  50. 2ay5/2ay5_protein_processed_fix.pdb +0 -0
1efy/1efy_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
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+ ###
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1efy/1efy_ligand.sdf ADDED
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+ $$$$
1efy/1efy_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1efy/1efy_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1g9a/1g9a_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
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+ ###
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1pxo/1pxo_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1pxo/1pxo_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ ATOM 44 O ALA A 6 12.610 15.546 9.214 1.00 0.00 O
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+ ATOM 45 N ILE A 7 14.044 16.716 7.885 1.00 0.00 N
47
+ ATOM 46 CA ILE A 7 14.465 17.638 8.934 1.00 0.00 C
48
+ ATOM 47 C ILE A 7 13.964 19.045 8.616 1.00 0.00 C
49
+ ATOM 48 CB ILE A 7 16.002 17.641 9.101 1.00 0.00 C
50
+ ATOM 49 O ILE A 7 14.064 19.504 7.475 1.00 0.00 O
51
+ ATOM 50 CG1 ILE A 7 16.517 16.216 9.332 1.00 0.00 C
52
+ ATOM 51 CG2 ILE A 7 16.418 18.568 10.248 1.00 0.00 C
53
+ ATOM 52 CD1 ILE A 7 18.033 16.115 9.430 1.00 0.00 C
54
+ ATOM 53 N GLY A 8 13.388 19.685 9.603 1.00 0.00 N
55
+ ATOM 54 CA GLY A 8 12.999 21.082 9.492 1.00 0.00 C
56
+ ATOM 55 C GLY A 8 13.349 21.898 10.723 1.00 0.00 C
57
+ ATOM 56 O GLY A 8 13.110 21.464 11.851 1.00 0.00 O
58
+ ATOM 57 N SER A 9 13.998 23.100 10.463 1.00 0.00 N
59
+ ATOM 58 CA SER A 9 14.336 23.966 11.588 1.00 0.00 C
60
+ ATOM 59 C SER A 9 14.149 25.437 11.229 1.00 0.00 C
61
+ ATOM 60 CB SER A 9 15.775 23.722 12.040 1.00 0.00 C
62
+ ATOM 61 O SER A 9 14.492 25.859 10.122 1.00 0.00 O
63
+ ATOM 62 OG SER A 9 16.101 24.543 13.149 1.00 0.00 O
64
+ ATOM 63 N ASN A 10 13.606 26.235 12.036 1.00 0.00 N
65
+ ATOM 64 CA ASN A 10 13.514 27.680 11.863 1.00 0.00 C
66
+ ATOM 65 C ASN A 10 14.157 28.426 13.029 1.00 0.00 C
67
+ ATOM 66 CB ASN A 10 12.053 28.109 11.700 1.00 0.00 C
68
+ ATOM 67 O ASN A 10 13.847 29.593 13.272 1.00 0.00 O
69
+ ATOM 68 CG ASN A 10 11.228 27.858 12.947 1.00 0.00 C
70
+ ATOM 69 ND2 ASN A 10 10.135 28.597 13.093 1.00 0.00 N
71
+ ATOM 70 OD1 ASN A 10 11.571 27.007 13.773 1.00 0.00 O
72
+ ATOM 71 N LEU A 11 14.980 27.923 13.715 1.00 0.00 N
73
+ ATOM 72 CA LEU A 11 15.570 28.534 14.901 1.00 0.00 C
74
+ ATOM 73 C LEU A 11 16.643 29.546 14.514 1.00 0.00 C
75
+ ATOM 74 CB LEU A 11 16.169 27.462 15.815 1.00 0.00 C
76
+ ATOM 75 O LEU A 11 17.042 29.620 13.350 1.00 0.00 O
77
+ ATOM 76 CG LEU A 11 15.177 26.498 16.469 1.00 0.00 C
78
+ ATOM 77 CD1 LEU A 11 15.923 25.383 17.195 1.00 0.00 C
79
+ ATOM 78 CD2 LEU A 11 14.258 27.246 17.428 1.00 0.00 C
80
+ ATOM 79 N ALA A 12 17.016 30.386 15.534 1.00 0.00 N
81
+ ATOM 80 CA ALA A 12 17.961 31.478 15.316 1.00 0.00 C
82
+ ATOM 81 C ALA A 12 19.225 30.979 14.621 1.00 0.00 C
83
+ ATOM 82 CB ALA A 12 18.315 32.149 16.641 1.00 0.00 C
84
+ ATOM 83 O ALA A 12 19.758 31.648 13.733 1.00 0.00 O
85
+ ATOM 84 N SER A 13 19.614 29.747 14.922 1.00 0.00 N
86
+ ATOM 85 CA SER A 13 20.775 29.141 14.276 1.00 0.00 C
87
+ ATOM 86 C SER A 13 20.411 27.815 13.618 1.00 0.00 C
88
+ ATOM 87 CB SER A 13 21.900 28.924 15.290 1.00 0.00 C
89
+ ATOM 88 O SER A 13 20.830 26.751 14.078 1.00 0.00 O
90
+ ATOM 89 OG SER A 13 22.330 30.159 15.836 1.00 0.00 O
91
+ ATOM 90 N PRO A 14 19.643 27.906 12.488 1.00 0.00 N
92
+ ATOM 91 CA PRO A 14 19.071 26.686 11.914 1.00 0.00 C
93
+ ATOM 92 C PRO A 14 20.138 25.693 11.457 1.00 0.00 C
94
+ ATOM 93 CB PRO A 14 18.261 27.204 10.723 1.00 0.00 C
95
+ ATOM 94 O PRO A 14 19.966 24.481 11.612 1.00 0.00 O
96
+ ATOM 95 CG PRO A 14 18.788 28.580 10.471 1.00 0.00 C
97
+ ATOM 96 CD PRO A 14 19.331 29.125 11.760 1.00 0.00 C
98
+ ATOM 97 N LEU A 15 21.244 26.261 11.033 1.00 0.00 N
99
+ ATOM 98 CA LEU A 15 22.302 25.386 10.540 1.00 0.00 C
100
+ ATOM 99 C LEU A 15 22.897 24.560 11.675 1.00 0.00 C
101
+ ATOM 100 CB LEU A 15 23.402 26.206 9.859 1.00 0.00 C
102
+ ATOM 101 O LEU A 15 23.152 23.364 11.512 1.00 0.00 O
103
+ ATOM 102 CG LEU A 15 24.522 25.410 9.188 1.00 0.00 C
104
+ ATOM 103 CD1 LEU A 15 23.952 24.505 8.100 1.00 0.00 C
105
+ ATOM 104 CD2 LEU A 15 25.574 26.351 8.610 1.00 0.00 C
106
+ ATOM 105 N GLU A 16 23.138 25.206 12.804 1.00 0.00 N
107
+ ATOM 106 CA GLU A 16 23.670 24.481 13.954 1.00 0.00 C
108
+ ATOM 107 C GLU A 16 22.700 23.400 14.423 1.00 0.00 C
109
+ ATOM 108 CB GLU A 16 23.977 25.445 15.103 1.00 0.00 C
110
+ ATOM 109 O GLU A 16 23.114 22.287 14.753 1.00 0.00 O
111
+ ATOM 110 CG GLU A 16 25.188 26.334 14.852 1.00 0.00 C
112
+ ATOM 111 CD GLU A 16 25.445 27.329 15.972 1.00 0.00 C
113
+ ATOM 112 OE1 GLU A 16 24.732 27.282 17.000 1.00 0.00 O
114
+ ATOM 113 OE2 GLU A 16 26.367 28.161 15.821 1.00 0.00 O
115
+ ATOM 114 N GLN A 17 21.518 23.623 14.356 1.00 0.00 N
116
+ ATOM 115 CA GLN A 17 20.495 22.691 14.818 1.00 0.00 C
117
+ ATOM 116 C GLN A 17 20.375 21.494 13.879 1.00 0.00 C
118
+ ATOM 117 CB GLN A 17 19.143 23.396 14.944 1.00 0.00 C
119
+ ATOM 118 O GLN A 17 20.281 20.351 14.330 1.00 0.00 O
120
+ ATOM 119 CG GLN A 17 19.056 24.351 16.128 1.00 0.00 C
121
+ ATOM 120 CD GLN A 17 18.870 23.631 17.450 1.00 0.00 C
122
+ ATOM 121 NE2 GLN A 17 18.944 24.377 18.547 1.00 0.00 N
123
+ ATOM 122 OE1 GLN A 17 18.663 22.414 17.486 1.00 0.00 O
124
+ ATOM 123 N VAL A 18 20.312 21.808 12.646 1.00 0.00 N
125
+ ATOM 124 CA VAL A 18 20.188 20.720 11.680 1.00 0.00 C
126
+ ATOM 125 C VAL A 18 21.413 19.813 11.765 1.00 0.00 C
127
+ ATOM 126 CB VAL A 18 20.017 21.256 10.242 1.00 0.00 C
128
+ ATOM 127 O VAL A 18 21.290 18.587 11.720 1.00 0.00 O
129
+ ATOM 128 CG1 VAL A 18 20.183 20.128 9.223 1.00 0.00 C
130
+ ATOM 129 CG2 VAL A 18 18.655 21.929 10.081 1.00 0.00 C
131
+ ATOM 130 N ASN A 19 22.595 20.429 11.986 1.00 0.00 N
132
+ ATOM 131 CA ASN A 19 23.804 19.623 12.112 1.00 0.00 C
133
+ ATOM 132 C ASN A 19 23.771 18.754 13.366 1.00 0.00 C
134
+ ATOM 133 CB ASN A 19 25.047 20.516 12.118 1.00 0.00 C
135
+ ATOM 134 O ASN A 19 24.174 17.590 13.332 1.00 0.00 O
136
+ ATOM 135 CG ASN A 19 25.427 20.997 10.732 1.00 0.00 C
137
+ ATOM 136 ND2 ASN A 19 26.076 22.154 10.662 1.00 0.00 N
138
+ ATOM 137 OD1 ASN A 19 25.140 20.336 9.731 1.00 0.00 O
139
+ ATOM 138 N ALA A 20 23.315 19.358 14.428 1.00 0.00 N
140
+ ATOM 139 CA ALA A 20 23.178 18.583 15.658 1.00 0.00 C
141
+ ATOM 140 C ALA A 20 22.191 17.434 15.475 1.00 0.00 C
142
+ ATOM 141 CB ALA A 20 22.734 19.485 16.808 1.00 0.00 C
143
+ ATOM 142 O ALA A 20 22.422 16.326 15.965 1.00 0.00 O
144
+ ATOM 143 N ALA A 21 21.107 17.703 14.775 1.00 0.00 N
145
+ ATOM 144 CA ALA A 21 20.113 16.670 14.495 1.00 0.00 C
146
+ ATOM 145 C ALA A 21 20.712 15.545 13.658 1.00 0.00 C
147
+ ATOM 146 CB ALA A 21 18.904 17.274 13.782 1.00 0.00 C
148
+ ATOM 147 O ALA A 21 20.465 14.366 13.923 1.00 0.00 O
149
+ ATOM 148 N LEU A 22 21.517 15.895 12.662 1.00 0.00 N
150
+ ATOM 149 CA LEU A 22 22.157 14.901 11.807 1.00 0.00 C
151
+ ATOM 150 C LEU A 22 23.098 14.014 12.614 1.00 0.00 C
152
+ ATOM 151 CB LEU A 22 22.926 15.586 10.674 1.00 0.00 C
153
+ ATOM 152 O LEU A 22 23.115 12.795 12.434 1.00 0.00 O
154
+ ATOM 153 CG LEU A 22 22.082 16.194 9.553 1.00 0.00 C
155
+ ATOM 154 CD1 LEU A 22 22.961 17.012 8.613 1.00 0.00 C
156
+ ATOM 155 CD2 LEU A 22 21.342 15.103 8.786 1.00 0.00 C
157
+ ATOM 156 N LYS A 23 23.844 14.649 13.473 1.00 0.00 N
158
+ ATOM 157 CA LYS A 23 24.719 13.862 14.336 1.00 0.00 C
159
+ ATOM 158 C LYS A 23 23.913 12.903 15.209 1.00 0.00 C
160
+ ATOM 159 CB LYS A 23 25.572 14.779 15.215 1.00 0.00 C
161
+ ATOM 160 O LYS A 23 24.257 11.726 15.327 1.00 0.00 O
162
+ ATOM 161 CG LYS A 23 26.579 14.041 16.085 1.00 0.00 C
163
+ ATOM 162 CD LYS A 23 27.409 15.007 16.922 1.00 0.00 C
164
+ ATOM 163 CE LYS A 23 28.401 14.269 17.808 1.00 0.00 C
165
+ ATOM 164 NZ LYS A 23 28.793 15.082 18.999 1.00 0.00 N
166
+ ATOM 165 N ALA A 24 22.828 13.384 15.790 1.00 0.00 N
167
+ ATOM 166 CA ALA A 24 21.991 12.564 16.661 1.00 0.00 C
168
+ ATOM 167 C ALA A 24 21.344 11.422 15.882 1.00 0.00 C
169
+ ATOM 168 CB ALA A 24 20.919 13.420 17.330 1.00 0.00 C
170
+ ATOM 169 O ALA A 24 21.258 10.295 16.377 1.00 0.00 O
171
+ ATOM 170 N LEU A 25 20.880 11.661 14.682 1.00 0.00 N
172
+ ATOM 171 CA LEU A 25 20.327 10.613 13.831 1.00 0.00 C
173
+ ATOM 172 C LEU A 25 21.369 9.536 13.549 1.00 0.00 C
174
+ ATOM 173 CB LEU A 25 19.818 11.205 12.514 1.00 0.00 C
175
+ ATOM 174 O LEU A 25 21.050 8.344 13.545 1.00 0.00 O
176
+ ATOM 175 CG LEU A 25 18.492 11.963 12.579 1.00 0.00 C
177
+ ATOM 176 CD1 LEU A 25 18.203 12.641 11.244 1.00 0.00 C
178
+ ATOM 177 CD2 LEU A 25 17.355 11.023 12.964 1.00 0.00 C
179
+ ATOM 178 N GLY A 26 22.592 9.961 13.342 1.00 0.00 N
180
+ ATOM 179 CA GLY A 26 23.675 9.022 13.097 1.00 0.00 C
181
+ ATOM 180 C GLY A 26 24.006 8.162 14.302 1.00 0.00 C
182
+ ATOM 181 O GLY A 26 24.556 7.069 14.159 1.00 0.00 O
183
+ ATOM 182 N ASP A 27 23.610 8.651 15.434 1.00 0.00 N
184
+ ATOM 183 CA ASP A 27 23.930 7.955 16.676 1.00 0.00 C
185
+ ATOM 184 C ASP A 27 22.813 6.990 17.068 1.00 0.00 C
186
+ ATOM 185 CB ASP A 27 24.180 8.958 17.804 1.00 0.00 C
187
+ ATOM 186 O ASP A 27 22.934 6.262 18.055 1.00 0.00 O
188
+ ATOM 187 CG ASP A 27 25.484 9.717 17.645 1.00 0.00 C
189
+ ATOM 188 OD1 ASP A 27 26.384 9.240 16.920 1.00 0.00 O
190
+ ATOM 189 OD2 ASP A 27 25.617 10.802 18.253 1.00 0.00 O
191
+ ATOM 190 N ILE A 28 21.708 6.985 16.353 1.00 0.00 N
192
+ ATOM 191 CA ILE A 28 20.639 6.040 16.653 1.00 0.00 C
193
+ ATOM 192 C ILE A 28 21.154 4.611 16.496 1.00 0.00 C
194
+ ATOM 193 CB ILE A 28 19.409 6.270 15.747 1.00 0.00 C
195
+ ATOM 194 O ILE A 28 21.753 4.271 15.473 1.00 0.00 O
196
+ ATOM 195 CG1 ILE A 28 18.750 7.616 16.071 1.00 0.00 C
197
+ ATOM 196 CG2 ILE A 28 18.408 5.121 15.893 1.00 0.00 C
198
+ ATOM 197 CD1 ILE A 28 17.633 8.005 15.112 1.00 0.00 C
199
+ ATOM 198 N PRO A 29 20.941 3.782 17.490 1.00 0.00 N
200
+ ATOM 199 CA PRO A 29 21.415 2.400 17.384 1.00 0.00 C
201
+ ATOM 200 C PRO A 29 20.854 1.676 16.163 1.00 0.00 C
202
+ ATOM 201 CB PRO A 29 20.917 1.755 18.680 1.00 0.00 C
203
+ ATOM 202 O PRO A 29 19.729 1.954 15.738 1.00 0.00 O
204
+ ATOM 203 CG PRO A 29 19.779 2.618 19.122 1.00 0.00 C
205
+ ATOM 204 CD PRO A 29 19.997 4.005 18.590 1.00 0.00 C
206
+ ATOM 205 N GLU A 30 21.640 0.848 15.602 1.00 0.00 N
207
+ ATOM 206 CA GLU A 30 21.232 -0.040 14.517 1.00 0.00 C
208
+ ATOM 207 C GLU A 30 20.764 0.755 13.301 1.00 0.00 C
209
+ ATOM 208 CB GLU A 30 20.124 -0.988 14.983 1.00 0.00 C
210
+ ATOM 209 O GLU A 30 19.916 0.290 12.537 1.00 0.00 O
211
+ ATOM 210 CG GLU A 30 20.551 -1.926 16.103 1.00 0.00 C
212
+ ATOM 211 CD GLU A 30 19.442 -2.863 16.555 1.00 0.00 C
213
+ ATOM 212 OE1 GLU A 30 19.031 -3.743 15.764 1.00 0.00 O
214
+ ATOM 213 OE2 GLU A 30 18.979 -2.716 17.707 1.00 0.00 O
215
+ ATOM 214 N SER A 31 21.300 1.875 13.220 1.00 0.00 N
216
+ ATOM 215 CA SER A 31 20.965 2.769 12.117 1.00 0.00 C
217
+ ATOM 216 C SER A 31 22.210 3.452 11.560 1.00 0.00 C
218
+ ATOM 217 CB SER A 31 19.954 3.823 12.570 1.00 0.00 C
219
+ ATOM 218 O SER A 31 23.185 3.662 12.285 1.00 0.00 O
220
+ ATOM 219 OG SER A 31 18.801 3.211 13.123 1.00 0.00 O
221
+ ATOM 220 N HIS A 32 22.179 3.742 10.301 1.00 0.00 N
222
+ ATOM 221 CA HIS A 32 23.258 4.491 9.667 1.00 0.00 C
223
+ ATOM 222 C HIS A 32 22.729 5.370 8.539 1.00 0.00 C
224
+ ATOM 223 CB HIS A 32 24.329 3.539 9.134 1.00 0.00 C
225
+ ATOM 224 O HIS A 32 21.872 4.941 7.762 1.00 0.00 O
226
+ ATOM 225 CG HIS A 32 23.848 2.652 8.030 1.00 0.00 C
227
+ ATOM 226 CD2 HIS A 32 23.959 2.767 6.685 1.00 0.00 C
228
+ ATOM 227 ND1 HIS A 32 23.155 1.483 8.262 1.00 0.00 N
229
+ ATOM 228 CE1 HIS A 32 22.860 0.916 7.105 1.00 0.00 C
230
+ ATOM 229 NE2 HIS A 32 23.337 1.674 6.132 1.00 0.00 N
231
+ ATOM 230 N ILE A 33 23.233 6.596 8.551 1.00 0.00 N
232
+ ATOM 231 CA ILE A 33 22.840 7.552 7.521 1.00 0.00 C
233
+ ATOM 232 C ILE A 33 23.486 7.172 6.191 1.00 0.00 C
234
+ ATOM 233 CB ILE A 33 23.228 8.996 7.911 1.00 0.00 C
235
+ ATOM 234 O ILE A 33 24.710 7.051 6.099 1.00 0.00 O
236
+ ATOM 235 CG1 ILE A 33 22.402 9.464 9.115 1.00 0.00 C
237
+ ATOM 236 CG2 ILE A 33 23.050 9.944 6.723 1.00 0.00 C
238
+ ATOM 237 CD1 ILE A 33 22.779 10.849 9.624 1.00 0.00 C
239
+ ATOM 238 N LEU A 34 22.707 6.956 5.114 1.00 0.00 N
240
+ ATOM 239 CA LEU A 34 23.197 6.629 3.779 1.00 0.00 C
241
+ ATOM 240 C LEU A 34 23.561 7.894 3.009 1.00 0.00 C
242
+ ATOM 241 CB LEU A 34 22.147 5.830 3.003 1.00 0.00 C
243
+ ATOM 242 O LEU A 34 24.588 7.937 2.327 1.00 0.00 O
244
+ ATOM 243 CG LEU A 34 21.804 4.446 3.556 1.00 0.00 C
245
+ ATOM 244 CD1 LEU A 34 20.678 3.815 2.743 1.00 0.00 C
246
+ ATOM 245 CD2 LEU A 34 23.036 3.549 3.557 1.00 0.00 C
247
+ ATOM 246 N THR A 35 22.694 8.867 3.080 1.00 0.00 N
248
+ ATOM 247 CA THR A 35 22.926 10.129 2.388 1.00 0.00 C
249
+ ATOM 248 C THR A 35 22.037 11.231 2.957 1.00 0.00 C
250
+ ATOM 249 CB THR A 35 22.674 9.992 0.875 1.00 0.00 C
251
+ ATOM 250 O THR A 35 21.037 10.947 3.621 1.00 0.00 O
252
+ ATOM 251 CG2 THR A 35 21.189 9.811 0.580 1.00 0.00 C
253
+ ATOM 252 OG1 THR A 35 23.143 11.172 0.209 1.00 0.00 O
254
+ ATOM 253 N VAL A 36 22.474 12.435 2.754 1.00 0.00 N
255
+ ATOM 254 CA VAL A 36 21.764 13.641 3.167 1.00 0.00 C
256
+ ATOM 255 C VAL A 36 21.643 14.600 1.986 1.00 0.00 C
257
+ ATOM 256 CB VAL A 36 22.474 14.340 4.350 1.00 0.00 C
258
+ ATOM 257 O VAL A 36 22.605 14.801 1.240 1.00 0.00 O
259
+ ATOM 258 CG1 VAL A 36 21.661 15.538 4.836 1.00 0.00 C
260
+ ATOM 259 CG2 VAL A 36 22.709 13.350 5.490 1.00 0.00 C
261
+ ATOM 260 N SER A 37 20.471 15.177 1.835 1.00 0.00 N
262
+ ATOM 261 CA SER A 37 20.290 16.155 0.767 1.00 0.00 C
263
+ ATOM 262 C SER A 37 21.015 17.459 1.083 1.00 0.00 C
264
+ ATOM 263 CB SER A 37 18.804 16.431 0.539 1.00 0.00 C
265
+ ATOM 264 O SER A 37 21.502 17.649 2.199 1.00 0.00 O
266
+ ATOM 265 OG SER A 37 18.271 17.221 1.588 1.00 0.00 O
267
+ ATOM 266 N SER A 38 21.029 18.287 0.115 1.00 0.00 N
268
+ ATOM 267 CA SER A 38 21.350 19.684 0.386 1.00 0.00 C
269
+ ATOM 268 C SER A 38 20.328 20.315 1.326 1.00 0.00 C
270
+ ATOM 269 CB SER A 38 21.417 20.482 -0.917 1.00 0.00 C
271
+ ATOM 270 O SER A 38 19.284 19.720 1.605 1.00 0.00 O
272
+ ATOM 271 OG SER A 38 22.331 19.889 -1.823 1.00 0.00 O
273
+ ATOM 272 N PHE A 39 20.741 21.462 1.774 1.00 0.00 N
274
+ ATOM 273 CA PHE A 39 19.805 22.210 2.605 1.00 0.00 C
275
+ ATOM 274 C PHE A 39 18.934 23.124 1.751 1.00 0.00 C
276
+ ATOM 275 CB PHE A 39 20.555 23.031 3.658 1.00 0.00 C
277
+ ATOM 276 O PHE A 39 19.421 23.751 0.808 1.00 0.00 O
278
+ ATOM 277 CG PHE A 39 21.420 22.204 4.570 1.00 0.00 C
279
+ ATOM 278 CD1 PHE A 39 21.012 20.942 4.983 1.00 0.00 C
280
+ ATOM 279 CD2 PHE A 39 22.644 22.690 5.013 1.00 0.00 C
281
+ ATOM 280 CE1 PHE A 39 21.811 20.174 5.826 1.00 0.00 C
282
+ ATOM 281 CE2 PHE A 39 23.448 21.928 5.856 1.00 0.00 C
283
+ ATOM 282 CZ PHE A 39 23.030 20.671 6.263 1.00 0.00 C
284
+ ATOM 283 N TYR A 40 17.632 23.092 2.073 1.00 0.00 N
285
+ ATOM 284 CA TYR A 40 16.645 23.900 1.365 1.00 0.00 C
286
+ ATOM 285 C TYR A 40 15.958 24.876 2.313 1.00 0.00 C
287
+ ATOM 286 CB TYR A 40 15.600 23.005 0.692 1.00 0.00 C
288
+ ATOM 287 O TYR A 40 15.601 24.513 3.437 1.00 0.00 O
289
+ ATOM 288 CG TYR A 40 16.150 22.183 -0.449 1.00 0.00 C
290
+ ATOM 289 CD1 TYR A 40 15.938 22.563 -1.772 1.00 0.00 C
291
+ ATOM 290 CD2 TYR A 40 16.881 21.025 -0.206 1.00 0.00 C
292
+ ATOM 291 CE1 TYR A 40 16.441 21.808 -2.827 1.00 0.00 C
293
+ ATOM 292 CE2 TYR A 40 17.389 20.262 -1.253 1.00 0.00 C
294
+ ATOM 293 OH TYR A 40 17.664 19.910 -3.597 1.00 0.00 O
295
+ ATOM 294 CZ TYR A 40 17.164 20.661 -2.558 1.00 0.00 C
296
+ ATOM 295 N ARG A 41 15.822 26.015 1.778 1.00 0.00 N
297
+ ATOM 296 CA ARG A 41 15.115 27.046 2.530 1.00 0.00 C
298
+ ATOM 297 C ARG A 41 13.752 27.340 1.913 1.00 0.00 C
299
+ ATOM 298 CB ARG A 41 15.947 28.329 2.596 1.00 0.00 C
300
+ ATOM 299 O ARG A 41 13.628 27.442 0.691 1.00 0.00 O
301
+ ATOM 300 CG ARG A 41 15.437 29.343 3.608 1.00 0.00 C
302
+ ATOM 301 CD ARG A 41 16.422 30.487 3.805 1.00 0.00 C
303
+ ATOM 302 NE ARG A 41 15.996 31.387 4.874 1.00 0.00 N
304
+ ATOM 303 NH1 ARG A 41 17.441 33.093 4.296 1.00 0.00 N
305
+ ATOM 304 NH2 ARG A 41 16.030 33.338 6.084 1.00 0.00 N
306
+ ATOM 305 CZ ARG A 41 16.490 32.604 5.082 1.00 0.00 C
307
+ ATOM 306 N THR A 42 12.738 27.365 2.797 1.00 0.00 N
308
+ ATOM 307 CA THR A 42 11.401 27.736 2.346 1.00 0.00 C
309
+ ATOM 308 C THR A 42 11.188 29.242 2.469 1.00 0.00 C
310
+ ATOM 309 CB THR A 42 10.315 26.994 3.146 1.00 0.00 C
311
+ ATOM 310 O THR A 42 11.864 29.908 3.256 1.00 0.00 O
312
+ ATOM 311 CG2 THR A 42 10.403 25.487 2.926 1.00 0.00 C
313
+ ATOM 312 OG1 THR A 42 10.483 27.272 4.541 1.00 0.00 O
314
+ ATOM 313 N PRO A 43 10.407 29.772 1.501 1.00 0.00 N
315
+ ATOM 314 CA PRO A 43 9.999 31.148 1.792 1.00 0.00 C
316
+ ATOM 315 C PRO A 43 9.347 31.292 3.165 1.00 0.00 C
317
+ ATOM 316 CB PRO A 43 8.998 31.462 0.677 1.00 0.00 C
318
+ ATOM 317 O PRO A 43 8.945 30.295 3.770 1.00 0.00 O
319
+ ATOM 318 CG PRO A 43 8.455 30.132 0.266 1.00 0.00 C
320
+ ATOM 319 CD PRO A 43 9.478 29.080 0.582 1.00 0.00 C
321
+ ATOM 320 N PRO A 44 9.459 32.533 3.793 1.00 0.00 N
322
+ ATOM 321 CA PRO A 44 8.896 32.680 5.136 1.00 0.00 C
323
+ ATOM 322 C PRO A 44 7.627 31.857 5.339 1.00 0.00 C
324
+ ATOM 323 CB PRO A 44 8.596 34.179 5.230 1.00 0.00 C
325
+ ATOM 324 O PRO A 44 6.736 31.870 4.486 1.00 0.00 O
326
+ ATOM 325 CG PRO A 44 9.475 34.809 4.199 1.00 0.00 C
327
+ ATOM 326 CD PRO A 44 9.694 33.821 3.090 1.00 0.00 C
328
+ ATOM 327 N PRO A 45 7.542 31.093 6.564 1.00 0.00 N
329
+ ATOM 328 CA PRO A 45 8.619 31.194 7.552 1.00 0.00 C
330
+ ATOM 329 C PRO A 45 9.866 30.411 7.147 1.00 0.00 C
331
+ ATOM 330 CB PRO A 45 7.993 30.607 8.819 1.00 0.00 C
332
+ ATOM 331 O PRO A 45 9.775 29.456 6.372 1.00 0.00 O
333
+ ATOM 332 CG PRO A 45 6.941 29.668 8.325 1.00 0.00 C
334
+ ATOM 333 CD PRO A 45 6.518 30.105 6.951 1.00 0.00 C
335
+ ATOM 334 N ASP A 46 11.016 30.977 7.296 1.00 0.00 N
336
+ ATOM 335 CA ASP A 46 12.347 30.605 6.827 1.00 0.00 C
337
+ ATOM 336 C ASP A 46 12.836 29.332 7.515 1.00 0.00 C
338
+ ATOM 337 CB ASP A 46 13.340 31.745 7.065 1.00 0.00 C
339
+ ATOM 338 O ASP A 46 13.369 29.385 8.625 1.00 0.00 O
340
+ ATOM 339 CG ASP A 46 13.311 32.795 5.969 1.00 0.00 C
341
+ ATOM 340 OD1 ASP A 46 12.822 32.502 4.857 1.00 0.00 O
342
+ ATOM 341 OD2 ASP A 46 13.783 33.926 6.220 1.00 0.00 O
343
+ ATOM 342 N TYR A 47 12.345 28.192 6.922 1.00 0.00 N
344
+ ATOM 343 CA TYR A 47 12.836 26.930 7.463 1.00 0.00 C
345
+ ATOM 344 C TYR A 47 13.996 26.395 6.632 1.00 0.00 C
346
+ ATOM 345 CB TYR A 47 11.709 25.893 7.517 1.00 0.00 C
347
+ ATOM 346 O TYR A 47 14.022 26.563 5.411 1.00 0.00 O
348
+ ATOM 347 CG TYR A 47 10.770 26.077 8.684 1.00 0.00 C
349
+ ATOM 348 CD1 TYR A 47 10.623 25.082 9.648 1.00 0.00 C
350
+ ATOM 349 CD2 TYR A 47 10.028 27.244 8.825 1.00 0.00 C
351
+ ATOM 350 CE1 TYR A 47 9.758 25.246 10.724 1.00 0.00 C
352
+ ATOM 351 CE2 TYR A 47 9.159 27.419 9.896 1.00 0.00 C
353
+ ATOM 352 OH TYR A 47 8.172 26.585 11.903 1.00 0.00 O
354
+ ATOM 353 CZ TYR A 47 9.031 26.417 10.840 1.00 0.00 C
355
+ ATOM 354 N LEU A 48 14.948 25.897 7.368 1.00 0.00 N
356
+ ATOM 355 CA LEU A 48 15.960 25.062 6.730 1.00 0.00 C
357
+ ATOM 356 C LEU A 48 15.546 23.594 6.751 1.00 0.00 C
358
+ ATOM 357 CB LEU A 48 17.312 25.232 7.426 1.00 0.00 C
359
+ ATOM 358 O LEU A 48 15.223 23.051 7.811 1.00 0.00 O
360
+ ATOM 359 CG LEU A 48 18.535 24.714 6.667 1.00 0.00 C
361
+ ATOM 360 CD1 LEU A 48 18.745 25.517 5.387 1.00 0.00 C
362
+ ATOM 361 CD2 LEU A 48 19.777 24.772 7.551 1.00 0.00 C
363
+ ATOM 362 N ASN A 49 15.494 23.040 5.576 1.00 0.00 N
364
+ ATOM 363 CA ASN A 49 14.996 21.678 5.415 1.00 0.00 C
365
+ ATOM 364 C ASN A 49 16.047 20.768 4.787 1.00 0.00 C
366
+ ATOM 365 CB ASN A 49 13.716 21.669 4.577 1.00 0.00 C
367
+ ATOM 366 O ASN A 49 16.884 21.226 4.007 1.00 0.00 O
368
+ ATOM 367 CG ASN A 49 12.638 22.567 5.150 1.00 0.00 C
369
+ ATOM 368 ND2 ASN A 49 12.535 23.782 4.621 1.00 0.00 N
370
+ ATOM 369 OD1 ASN A 49 11.903 22.175 6.060 1.00 0.00 O
371
+ ATOM 370 N ALA A 50 16.016 19.537 5.143 1.00 0.00 N
372
+ ATOM 371 CA ALA A 50 16.825 18.489 4.525 1.00 0.00 C
373
+ ATOM 372 C ALA A 50 16.124 17.135 4.609 1.00 0.00 C
374
+ ATOM 373 CB ALA A 50 18.198 18.416 5.188 1.00 0.00 C
375
+ ATOM 374 O ALA A 50 15.213 16.951 5.419 1.00 0.00 O
376
+ ATOM 375 N ALA A 51 16.515 16.278 3.730 1.00 0.00 N
377
+ ATOM 376 CA ALA A 51 16.083 14.883 3.774 1.00 0.00 C
378
+ ATOM 377 C ALA A 51 17.259 13.955 4.060 1.00 0.00 C
379
+ ATOM 378 CB ALA A 51 15.410 14.493 2.461 1.00 0.00 C
380
+ ATOM 379 O ALA A 51 18.375 14.192 3.591 1.00 0.00 O
381
+ ATOM 380 N VAL A 52 16.982 12.934 4.794 1.00 0.00 N
382
+ ATOM 381 CA VAL A 52 17.985 11.939 5.158 1.00 0.00 C
383
+ ATOM 382 C VAL A 52 17.491 10.544 4.780 1.00 0.00 C
384
+ ATOM 383 CB VAL A 52 18.319 11.995 6.666 1.00 0.00 C
385
+ ATOM 384 O VAL A 52 16.356 10.175 5.090 1.00 0.00 O
386
+ ATOM 385 CG1 VAL A 52 19.347 10.926 7.031 1.00 0.00 C
387
+ ATOM 386 CG2 VAL A 52 18.828 13.384 7.048 1.00 0.00 C
388
+ ATOM 387 N ALA A 53 18.311 9.847 4.102 1.00 0.00 N
389
+ ATOM 388 CA ALA A 53 18.111 8.407 3.965 1.00 0.00 C
390
+ ATOM 389 C ALA A 53 18.859 7.643 5.054 1.00 0.00 C
391
+ ATOM 390 CB ALA A 53 18.563 7.936 2.584 1.00 0.00 C
392
+ ATOM 391 O ALA A 53 20.086 7.719 5.143 1.00 0.00 O
393
+ ATOM 392 N LEU A 54 18.122 6.959 5.842 1.00 0.00 N
394
+ ATOM 393 CA LEU A 54 18.647 6.236 6.994 1.00 0.00 C
395
+ ATOM 394 C LEU A 54 18.358 4.743 6.877 1.00 0.00 C
396
+ ATOM 395 CB LEU A 54 18.045 6.784 8.291 1.00 0.00 C
397
+ ATOM 396 O LEU A 54 17.197 4.335 6.800 1.00 0.00 O
398
+ ATOM 397 CG LEU A 54 18.661 6.271 9.594 1.00 0.00 C
399
+ ATOM 398 CD1 LEU A 54 19.938 7.039 9.916 1.00 0.00 C
400
+ ATOM 399 CD2 LEU A 54 17.660 6.382 10.739 1.00 0.00 C
401
+ ATOM 400 N GLU A 55 19.345 3.990 6.760 1.00 0.00 N
402
+ ATOM 401 CA GLU A 55 19.167 2.546 6.876 1.00 0.00 C
403
+ ATOM 402 C GLU A 55 19.049 2.120 8.336 1.00 0.00 C
404
+ ATOM 403 CB GLU A 55 20.326 1.805 6.204 1.00 0.00 C
405
+ ATOM 404 O GLU A 55 19.874 2.501 9.168 1.00 0.00 O
406
+ ATOM 405 CG GLU A 55 20.138 0.296 6.142 1.00 0.00 C
407
+ ATOM 406 CD GLU A 55 21.273 -0.421 5.429 1.00 0.00 C
408
+ ATOM 407 OE1 GLU A 55 22.454 -0.163 5.754 1.00 0.00 O
409
+ ATOM 408 OE2 GLU A 55 20.979 -1.247 4.535 1.00 0.00 O
410
+ ATOM 409 N THR A 56 18.022 1.348 8.629 1.00 0.00 N
411
+ ATOM 410 CA THR A 56 17.781 0.982 10.020 1.00 0.00 C
412
+ ATOM 411 C THR A 56 17.164 -0.411 10.114 1.00 0.00 C
413
+ ATOM 412 CB THR A 56 16.860 2.002 10.714 1.00 0.00 C
414
+ ATOM 413 O THR A 56 16.459 -0.845 9.202 1.00 0.00 O
415
+ ATOM 414 CG2 THR A 56 15.469 2.000 10.090 1.00 0.00 C
416
+ ATOM 415 OG1 THR A 56 16.750 1.670 12.104 1.00 0.00 O
417
+ ATOM 416 N SER A 57 17.424 -1.098 11.163 1.00 0.00 N
418
+ ATOM 417 CA SER A 57 16.773 -2.370 11.462 1.00 0.00 C
419
+ ATOM 418 C SER A 57 15.687 -2.197 12.521 1.00 0.00 C
420
+ ATOM 419 CB SER A 57 17.798 -3.401 11.935 1.00 0.00 C
421
+ ATOM 420 O SER A 57 15.045 -3.170 12.923 1.00 0.00 O
422
+ ATOM 421 OG SER A 57 18.382 -3.003 13.164 1.00 0.00 O
423
+ ATOM 422 N LEU A 58 15.518 -1.041 12.970 1.00 0.00 N
424
+ ATOM 423 CA LEU A 58 14.487 -0.768 13.965 1.00 0.00 C
425
+ ATOM 424 C LEU A 58 13.096 -0.864 13.347 1.00 0.00 C
426
+ ATOM 425 CB LEU A 58 14.691 0.617 14.583 1.00 0.00 C
427
+ ATOM 426 O LEU A 58 12.931 -0.653 12.144 1.00 0.00 O
428
+ ATOM 427 CG LEU A 58 16.012 0.844 15.320 1.00 0.00 C
429
+ ATOM 428 CD1 LEU A 58 16.115 2.291 15.790 1.00 0.00 C
430
+ ATOM 429 CD2 LEU A 58 16.138 -0.116 16.498 1.00 0.00 C
431
+ ATOM 430 N ALA A 59 12.122 -1.144 14.147 1.00 0.00 N
432
+ ATOM 431 CA ALA A 59 10.725 -1.023 13.737 1.00 0.00 C
433
+ ATOM 432 C ALA A 59 10.322 0.442 13.594 1.00 0.00 C
434
+ ATOM 433 CB ALA A 59 9.814 -1.727 14.739 1.00 0.00 C
435
+ ATOM 434 O ALA A 59 10.921 1.322 14.216 1.00 0.00 O
436
+ ATOM 435 N PRO A 60 9.295 0.738 12.832 1.00 0.00 N
437
+ ATOM 436 CA PRO A 60 8.881 2.120 12.585 1.00 0.00 C
438
+ ATOM 437 C PRO A 60 8.612 2.895 13.873 1.00 0.00 C
439
+ ATOM 438 CB PRO A 60 7.597 1.961 11.766 1.00 0.00 C
440
+ ATOM 439 O PRO A 60 9.052 4.039 14.013 1.00 0.00 O
441
+ ATOM 440 CG PRO A 60 7.765 0.667 11.039 1.00 0.00 C
442
+ ATOM 441 CD PRO A 60 8.531 -0.279 11.919 1.00 0.00 C
443
+ ATOM 442 N GLU A 61 7.885 2.333 14.799 1.00 0.00 N
444
+ ATOM 443 CA GLU A 61 7.537 3.052 16.021 1.00 0.00 C
445
+ ATOM 444 C GLU A 61 8.759 3.246 16.914 1.00 0.00 C
446
+ ATOM 445 CB GLU A 61 6.437 2.312 16.786 1.00 0.00 C
447
+ ATOM 446 O GLU A 61 8.850 4.233 17.646 1.00 0.00 O
448
+ ATOM 447 CG GLU A 61 5.050 2.481 16.185 1.00 0.00 C
449
+ ATOM 448 CD GLU A 61 3.932 2.091 17.138 1.00 0.00 C
450
+ ATOM 449 OE1 GLU A 61 4.219 1.791 18.319 1.00 0.00 O
451
+ ATOM 450 OE2 GLU A 61 2.759 2.085 16.701 1.00 0.00 O
452
+ ATOM 451 N GLU A 62 9.683 2.278 16.858 1.00 0.00 N
453
+ ATOM 452 CA GLU A 62 10.932 2.456 17.592 1.00 0.00 C
454
+ ATOM 453 C GLU A 62 11.741 3.623 17.032 1.00 0.00 C
455
+ ATOM 454 CB GLU A 62 11.765 1.173 17.556 1.00 0.00 C
456
+ ATOM 455 O GLU A 62 12.303 4.416 17.790 1.00 0.00 O
457
+ ATOM 456 CG GLU A 62 11.158 0.023 18.345 1.00 0.00 C
458
+ ATOM 457 CD GLU A 62 11.961 -1.265 18.244 1.00 0.00 C
459
+ ATOM 458 OE1 GLU A 62 12.615 -1.492 17.201 1.00 0.00 O
460
+ ATOM 459 OE2 GLU A 62 11.933 -2.055 19.214 1.00 0.00 O
461
+ ATOM 460 N LEU A 63 11.808 3.654 15.701 1.00 0.00 N
462
+ ATOM 461 CA LEU A 63 12.492 4.780 15.076 1.00 0.00 C
463
+ ATOM 462 C LEU A 63 11.801 6.095 15.419 1.00 0.00 C
464
+ ATOM 463 CB LEU A 63 12.544 4.599 13.556 1.00 0.00 C
465
+ ATOM 464 O LEU A 63 12.464 7.094 15.704 1.00 0.00 O
466
+ ATOM 465 CG LEU A 63 13.236 5.710 12.764 1.00 0.00 C
467
+ ATOM 466 CD1 LEU A 63 14.680 5.871 13.227 1.00 0.00 C
468
+ ATOM 467 CD2 LEU A 63 13.179 5.416 11.268 1.00 0.00 C
469
+ ATOM 468 N LEU A 64 10.514 6.125 15.455 1.00 0.00 N
470
+ ATOM 469 CA LEU A 64 9.741 7.302 15.841 1.00 0.00 C
471
+ ATOM 470 C LEU A 64 10.116 7.761 17.245 1.00 0.00 C
472
+ ATOM 471 CB LEU A 64 8.241 7.005 15.771 1.00 0.00 C
473
+ ATOM 472 O LEU A 64 10.313 8.955 17.481 1.00 0.00 O
474
+ ATOM 473 CG LEU A 64 7.306 8.124 16.232 1.00 0.00 C
475
+ ATOM 474 CD1 LEU A 64 7.397 9.314 15.282 1.00 0.00 C
476
+ ATOM 475 CD2 LEU A 64 5.871 7.618 16.326 1.00 0.00 C
477
+ ATOM 476 N ASN A 65 10.248 6.796 18.149 1.00 0.00 N
478
+ ATOM 477 CA ASN A 65 10.634 7.131 19.516 1.00 0.00 C
479
+ ATOM 478 C ASN A 65 11.993 7.826 19.559 1.00 0.00 C
480
+ ATOM 479 CB ASN A 65 10.651 5.877 20.392 1.00 0.00 C
481
+ ATOM 480 O ASN A 65 12.183 8.777 20.317 1.00 0.00 O
482
+ ATOM 481 CG ASN A 65 9.265 5.305 20.620 1.00 0.00 C
483
+ ATOM 482 ND2 ASN A 65 9.198 4.014 20.921 1.00 0.00 N
484
+ ATOM 483 OD1 ASN A 65 8.263 6.019 20.525 1.00 0.00 O
485
+ ATOM 484 N HIS A 66 12.900 7.373 18.754 1.00 0.00 N
486
+ ATOM 485 CA HIS A 66 14.230 7.969 18.722 1.00 0.00 C
487
+ ATOM 486 C HIS A 66 14.190 9.377 18.137 1.00 0.00 C
488
+ ATOM 487 CB HIS A 66 15.191 7.092 17.916 1.00 0.00 C
489
+ ATOM 488 O HIS A 66 14.843 10.287 18.650 1.00 0.00 O
490
+ ATOM 489 CG HIS A 66 15.675 5.890 18.661 1.00 0.00 C
491
+ ATOM 490 CD2 HIS A 66 15.333 4.584 18.561 1.00 0.00 C
492
+ ATOM 491 ND1 HIS A 66 16.630 5.964 19.652 1.00 0.00 N
493
+ ATOM 492 CE1 HIS A 66 16.856 4.750 20.129 1.00 0.00 C
494
+ ATOM 493 NE2 HIS A 66 16.081 3.896 19.484 1.00 0.00 N
495
+ ATOM 494 N THR A 67 13.456 9.609 17.095 1.00 0.00 N
496
+ ATOM 495 CA THR A 67 13.380 10.942 16.506 1.00 0.00 C
497
+ ATOM 496 C THR A 67 12.707 11.919 17.465 1.00 0.00 C
498
+ ATOM 497 CB THR A 67 12.615 10.919 15.170 1.00 0.00 C
499
+ ATOM 498 O THR A 67 13.117 13.077 17.569 1.00 0.00 O
500
+ ATOM 499 CG2 THR A 67 13.311 10.021 14.152 1.00 0.00 C
501
+ ATOM 500 OG1 THR A 67 11.287 10.430 15.395 1.00 0.00 O
502
+ ATOM 501 N GLN A 68 11.705 11.456 18.151 1.00 0.00 N
503
+ ATOM 502 CA GLN A 68 11.019 12.314 19.111 1.00 0.00 C
504
+ ATOM 503 C GLN A 68 11.926 12.655 20.289 1.00 0.00 C
505
+ ATOM 504 CB GLN A 68 9.738 11.644 19.612 1.00 0.00 C
506
+ ATOM 505 O GLN A 68 11.876 13.769 20.816 1.00 0.00 O
507
+ ATOM 506 CG GLN A 68 8.626 11.590 18.572 1.00 0.00 C
508
+ ATOM 507 CD GLN A 68 7.348 10.978 19.113 1.00 0.00 C
509
+ ATOM 508 NE2 GLN A 68 6.238 11.218 18.423 1.00 0.00 N
510
+ ATOM 509 OE1 GLN A 68 7.358 10.291 20.140 1.00 0.00 O
511
+ ATOM 510 N ARG A 69 12.701 11.655 20.674 1.00 0.00 N
512
+ ATOM 511 CA ARG A 69 13.654 11.930 21.745 1.00 0.00 C
513
+ ATOM 512 C ARG A 69 14.656 12.999 21.325 1.00 0.00 C
514
+ ATOM 513 CB ARG A 69 14.390 10.653 22.153 1.00 0.00 C
515
+ ATOM 514 O ARG A 69 15.005 13.877 22.118 1.00 0.00 O
516
+ ATOM 515 CG ARG A 69 15.263 10.811 23.387 1.00 0.00 C
517
+ ATOM 516 CD ARG A 69 15.975 9.514 23.745 1.00 0.00 C
518
+ ATOM 517 NE ARG A 69 15.047 8.518 24.274 1.00 0.00 N
519
+ ATOM 518 NH1 ARG A 69 16.028 6.729 23.190 1.00 0.00 N
520
+ ATOM 519 NH2 ARG A 69 14.200 6.400 24.535 1.00 0.00 N
521
+ ATOM 520 CZ ARG A 69 15.093 7.218 23.998 1.00 0.00 C
522
+ ATOM 521 N ILE A 70 15.161 12.939 20.112 1.00 0.00 N
523
+ ATOM 522 CA ILE A 70 16.087 13.939 19.592 1.00 0.00 C
524
+ ATOM 523 C ILE A 70 15.418 15.312 19.592 1.00 0.00 C
525
+ ATOM 524 CB ILE A 70 16.568 13.577 18.168 1.00 0.00 C
526
+ ATOM 525 O ILE A 70 16.017 16.301 20.021 1.00 0.00 O
527
+ ATOM 526 CG1 ILE A 70 17.443 12.319 18.203 1.00 0.00 C
528
+ ATOM 527 CG2 ILE A 70 17.323 14.752 17.539 1.00 0.00 C
529
+ ATOM 528 CD1 ILE A 70 17.672 11.687 16.838 1.00 0.00 C
530
+ ATOM 529 N GLU A 71 14.209 15.363 19.124 1.00 0.00 N
531
+ ATOM 530 CA GLU A 71 13.465 16.618 19.118 1.00 0.00 C
532
+ ATOM 531 C GLU A 71 13.344 17.195 20.525 1.00 0.00 C
533
+ ATOM 532 CB GLU A 71 12.074 16.416 18.510 1.00 0.00 C
534
+ ATOM 533 O GLU A 71 13.511 18.400 20.725 1.00 0.00 O
535
+ ATOM 534 CG GLU A 71 12.094 16.090 17.024 1.00 0.00 C
536
+ ATOM 535 CD GLU A 71 10.713 15.808 16.453 1.00 0.00 C
537
+ ATOM 536 OE1 GLU A 71 9.861 15.242 17.176 1.00 0.00 O
538
+ ATOM 537 OE2 GLU A 71 10.481 16.156 15.274 1.00 0.00 O
539
+ ATOM 538 N LEU A 72 13.105 16.286 21.497 1.00 0.00 N
540
+ ATOM 539 CA LEU A 72 12.951 16.711 22.884 1.00 0.00 C
541
+ ATOM 540 C LEU A 72 14.270 17.232 23.442 1.00 0.00 C
542
+ ATOM 541 CB LEU A 72 12.440 15.554 23.747 1.00 0.00 C
543
+ ATOM 542 O LEU A 72 14.295 18.245 24.146 1.00 0.00 O
544
+ ATOM 543 CG LEU A 72 10.958 15.202 23.599 1.00 0.00 C
545
+ ATOM 544 CD1 LEU A 72 10.654 13.885 24.306 1.00 0.00 C
546
+ ATOM 545 CD2 LEU A 72 10.084 16.323 24.147 1.00 0.00 C
547
+ ATOM 546 N GLN A 73 15.351 16.662 23.146 1.00 0.00 N
548
+ ATOM 547 CA GLN A 73 16.661 17.013 23.685 1.00 0.00 C
549
+ ATOM 548 C GLN A 73 17.175 18.316 23.080 1.00 0.00 C
550
+ ATOM 549 CB GLN A 73 17.665 15.886 23.434 1.00 0.00 C
551
+ ATOM 550 O GLN A 73 17.832 19.107 23.760 1.00 0.00 O
552
+ ATOM 551 CG GLN A 73 17.451 14.665 24.319 1.00 0.00 C
553
+ ATOM 552 CD GLN A 73 18.337 13.497 23.929 1.00 0.00 C
554
+ ATOM 553 NE2 GLN A 73 18.389 12.481 24.783 1.00 0.00 N
555
+ ATOM 554 OE1 GLN A 73 18.969 13.506 22.868 1.00 0.00 O
556
+ ATOM 555 N GLN A 74 16.930 18.495 21.831 1.00 0.00 N
557
+ ATOM 556 CA GLN A 74 17.496 19.646 21.136 1.00 0.00 C
558
+ ATOM 557 C GLN A 74 16.533 20.829 21.159 1.00 0.00 C
559
+ ATOM 558 CB GLN A 74 17.846 19.284 19.692 1.00 0.00 C
560
+ ATOM 559 O GLN A 74 16.938 21.972 20.933 1.00 0.00 O
561
+ ATOM 560 CG GLN A 74 18.971 18.264 19.570 1.00 0.00 C
562
+ ATOM 561 CD GLN A 74 19.399 18.030 18.133 1.00 0.00 C
563
+ ATOM 562 NE2 GLN A 74 20.197 16.992 17.914 1.00 0.00 N
564
+ ATOM 563 OE1 GLN A 74 19.014 18.778 17.228 1.00 0.00 O
565
+ ATOM 564 N GLY A 75 15.206 20.597 21.320 1.00 0.00 N
566
+ ATOM 565 CA GLY A 75 14.138 21.565 21.126 1.00 0.00 C
567
+ ATOM 566 C GLY A 75 13.521 22.043 22.426 1.00 0.00 C
568
+ ATOM 567 O GLY A 75 12.770 23.021 22.440 1.00 0.00 O
569
+ ATOM 568 N ARG A 76 13.792 21.513 23.660 1.00 0.00 N
570
+ ATOM 569 CA ARG A 76 13.140 22.011 24.867 1.00 0.00 C
571
+ ATOM 570 C ARG A 76 13.935 23.157 25.485 1.00 0.00 C
572
+ ATOM 571 CB ARG A 76 12.961 20.885 25.887 1.00 0.00 C
573
+ ATOM 572 O ARG A 76 15.140 23.030 25.712 1.00 0.00 O
574
+ ATOM 573 CG ARG A 76 11.582 20.247 25.865 1.00 0.00 C
575
+ ATOM 574 CD ARG A 76 11.370 19.321 27.055 1.00 0.00 C
576
+ ATOM 575 NE ARG A 76 10.159 18.519 26.903 1.00 0.00 N
577
+ ATOM 576 NH1 ARG A 76 10.050 17.893 29.125 1.00 0.00 N
578
+ ATOM 577 NH2 ARG A 76 8.462 17.159 27.643 1.00 0.00 N
579
+ ATOM 578 CZ ARG A 76 9.559 17.859 27.891 1.00 0.00 C
580
+ ATOM 579 N GLY A 77 13.257 24.505 25.479 1.00 0.00 N
581
+ ATOM 580 CA GLY A 77 13.381 25.719 26.268 1.00 0.00 C
582
+ ATOM 581 C GLY A 77 13.327 26.983 25.430 1.00 0.00 C
583
+ ATOM 582 O GLY A 77 13.358 28.092 25.967 1.00 0.00 O
584
+ ATOM 583 N GLY A 78 12.925 26.996 24.110 1.00 0.00 N
585
+ ATOM 584 CA GLY A 78 12.758 28.192 23.299 1.00 0.00 C
586
+ ATOM 585 C GLY A 78 11.784 28.005 22.152 1.00 0.00 C
587
+ ATOM 586 O GLY A 78 11.094 26.986 22.078 1.00 0.00 O
588
+ ATOM 587 N PRO A 79 11.185 29.165 21.515 1.00 0.00 N
589
+ ATOM 588 CA PRO A 79 10.322 29.129 20.332 1.00 0.00 C
590
+ ATOM 589 C PRO A 79 10.740 28.055 19.330 1.00 0.00 C
591
+ ATOM 590 CB PRO A 79 10.484 30.528 19.733 1.00 0.00 C
592
+ ATOM 591 O PRO A 79 11.879 28.058 18.857 1.00 0.00 O
593
+ ATOM 592 CG PRO A 79 11.704 31.086 20.392 1.00 0.00 C
594
+ ATOM 593 CD PRO A 79 12.033 30.236 21.585 1.00 0.00 C
595
+ ATOM 594 N ARG A 80 10.429 26.762 19.605 1.00 0.00 N
596
+ ATOM 595 CA ARG A 80 10.581 25.502 18.887 1.00 0.00 C
597
+ ATOM 596 C ARG A 80 10.560 25.725 17.378 1.00 0.00 C
598
+ ATOM 597 CB ARG A 80 9.480 24.518 19.286 1.00 0.00 C
599
+ ATOM 598 O ARG A 80 9.749 26.504 16.872 1.00 0.00 O
600
+ ATOM 599 CG ARG A 80 9.733 23.814 20.610 1.00 0.00 C
601
+ ATOM 600 CD ARG A 80 8.748 22.676 20.841 1.00 0.00 C
602
+ ATOM 601 NE ARG A 80 8.907 22.087 22.168 1.00 0.00 N
603
+ ATOM 602 NH1 ARG A 80 7.358 20.406 21.833 1.00 0.00 N
604
+ ATOM 603 NH2 ARG A 80 8.466 20.569 23.834 1.00 0.00 N
605
+ ATOM 604 CZ ARG A 80 8.244 21.022 22.609 1.00 0.00 C
606
+ ATOM 605 N THR A 81 11.596 25.031 16.655 1.00 0.00 N
607
+ ATOM 606 CA THR A 81 11.459 24.625 15.260 1.00 0.00 C
608
+ ATOM 607 C THR A 81 12.636 23.753 14.832 1.00 0.00 C
609
+ ATOM 608 CB THR A 81 11.358 25.849 14.330 1.00 0.00 C
610
+ ATOM 609 O THR A 81 13.629 24.258 14.304 1.00 0.00 O
611
+ ATOM 610 CG2 THR A 81 10.012 26.547 14.485 1.00 0.00 C
612
+ ATOM 611 OG1 THR A 81 12.403 26.774 14.651 1.00 0.00 O
613
+ ATOM 612 N LEU A 82 12.948 22.425 15.713 1.00 0.00 N
614
+ ATOM 613 CA LEU A 82 13.459 21.275 14.978 1.00 0.00 C
615
+ ATOM 614 C LEU A 82 12.375 20.217 14.802 1.00 0.00 C
616
+ ATOM 615 CB LEU A 82 14.666 20.669 15.700 1.00 0.00 C
617
+ ATOM 616 O LEU A 82 11.776 19.766 15.781 1.00 0.00 O
618
+ ATOM 617 CG LEU A 82 15.318 19.458 15.032 1.00 0.00 C
619
+ ATOM 618 CD1 LEU A 82 16.024 19.877 13.746 1.00 0.00 C
620
+ ATOM 619 CD2 LEU A 82 16.295 18.782 15.988 1.00 0.00 C
621
+ ATOM 620 N ASP A 83 12.112 19.766 13.685 1.00 0.00 N
622
+ ATOM 621 CA ASP A 83 11.161 18.721 13.316 1.00 0.00 C
623
+ ATOM 622 C ASP A 83 11.853 17.597 12.548 1.00 0.00 C
624
+ ATOM 623 CB ASP A 83 10.021 19.306 12.478 1.00 0.00 C
625
+ ATOM 624 O ASP A 83 12.575 17.850 11.582 1.00 0.00 O
626
+ ATOM 625 CG ASP A 83 9.116 20.230 13.272 1.00 0.00 C
627
+ ATOM 626 OD1 ASP A 83 8.969 20.035 14.498 1.00 0.00 O
628
+ ATOM 627 OD2 ASP A 83 8.541 21.160 12.666 1.00 0.00 O
629
+ ATOM 628 N LEU A 84 11.654 16.396 13.110 1.00 0.00 N
630
+ ATOM 629 CA LEU A 84 12.096 15.187 12.425 1.00 0.00 C
631
+ ATOM 630 C LEU A 84 10.907 14.311 12.047 1.00 0.00 C
632
+ ATOM 631 CB LEU A 84 13.068 14.397 13.305 1.00 0.00 C
633
+ ATOM 632 O LEU A 84 10.317 13.653 12.908 1.00 0.00 O
634
+ ATOM 633 CG LEU A 84 14.336 15.131 13.745 1.00 0.00 C
635
+ ATOM 634 CD1 LEU A 84 15.138 14.271 14.714 1.00 0.00 C
636
+ ATOM 635 CD2 LEU A 84 15.180 15.513 12.534 1.00 0.00 C
637
+ ATOM 636 N ASP A 85 10.570 14.263 10.770 1.00 0.00 N
638
+ ATOM 637 CA ASP A 85 9.417 13.506 10.292 1.00 0.00 C
639
+ ATOM 638 C ASP A 85 9.856 12.287 9.485 1.00 0.00 C
640
+ ATOM 639 CB ASP A 85 8.504 14.396 9.446 1.00 0.00 C
641
+ ATOM 640 O ASP A 85 10.661 12.406 8.560 1.00 0.00 O
642
+ ATOM 641 CG ASP A 85 7.863 15.518 10.244 1.00 0.00 C
643
+ ATOM 642 OD1 ASP A 85 7.206 15.238 11.269 1.00 0.00 O
644
+ ATOM 643 OD2 ASP A 85 8.015 16.692 9.842 1.00 0.00 O
645
+ ATOM 644 N ILE A 86 9.320 11.116 9.874 1.00 0.00 N
646
+ ATOM 645 CA ILE A 86 9.514 9.921 9.060 1.00 0.00 C
647
+ ATOM 646 C ILE A 86 8.596 9.970 7.842 1.00 0.00 C
648
+ ATOM 647 CB ILE A 86 9.255 8.634 9.875 1.00 0.00 C
649
+ ATOM 648 O ILE A 86 7.380 9.808 7.967 1.00 0.00 O
650
+ ATOM 649 CG1 ILE A 86 10.180 8.579 11.097 1.00 0.00 C
651
+ ATOM 650 CG2 ILE A 86 9.434 7.393 8.997 1.00 0.00 C
652
+ ATOM 651 CD1 ILE A 86 9.862 7.448 12.065 1.00 0.00 C
653
+ ATOM 652 N MET A 87 9.143 10.213 6.682 1.00 0.00 N
654
+ ATOM 653 CA MET A 87 8.352 10.384 5.466 1.00 0.00 C
655
+ ATOM 654 C MET A 87 7.943 9.033 4.888 1.00 0.00 C
656
+ ATOM 655 CB MET A 87 9.134 11.184 4.423 1.00 0.00 C
657
+ ATOM 656 O MET A 87 6.790 8.842 4.500 1.00 0.00 O
658
+ ATOM 657 CG MET A 87 9.339 12.643 4.796 1.00 0.00 C
659
+ ATOM 658 SD MET A 87 10.129 13.609 3.451 1.00 0.00 S
660
+ ATOM 659 CE MET A 87 11.826 12.978 3.558 1.00 0.00 C
661
+ ATOM 660 N LEU A 88 8.938 8.213 4.823 1.00 0.00 N
662
+ ATOM 661 CA LEU A 88 8.762 6.871 4.280 1.00 0.00 C
663
+ ATOM 662 C LEU A 88 9.564 5.851 5.081 1.00 0.00 C
664
+ ATOM 663 CB LEU A 88 9.182 6.828 2.809 1.00 0.00 C
665
+ ATOM 664 O LEU A 88 10.587 6.192 5.678 1.00 0.00 O
666
+ ATOM 665 CG LEU A 88 8.400 7.730 1.853 1.00 0.00 C
667
+ ATOM 666 CD1 LEU A 88 9.132 7.852 0.521 1.00 0.00 C
668
+ ATOM 667 CD2 LEU A 88 6.988 7.193 1.645 1.00 0.00 C
669
+ ATOM 668 N PHE A 89 9.137 4.712 5.118 1.00 0.00 N
670
+ ATOM 669 CA PHE A 89 9.781 3.566 5.747 1.00 0.00 C
671
+ ATOM 670 C PHE A 89 9.699 2.337 4.848 1.00 0.00 C
672
+ ATOM 671 CB PHE A 89 9.139 3.265 7.106 1.00 0.00 C
673
+ ATOM 672 O PHE A 89 8.702 1.613 4.866 1.00 0.00 O
674
+ ATOM 673 CG PHE A 89 9.954 2.344 7.972 1.00 0.00 C
675
+ ATOM 674 CD1 PHE A 89 9.973 0.976 7.730 1.00 0.00 C
676
+ ATOM 675 CD2 PHE A 89 10.701 2.847 9.030 1.00 0.00 C
677
+ ATOM 676 CE1 PHE A 89 10.727 0.121 8.531 1.00 0.00 C
678
+ ATOM 677 CE2 PHE A 89 11.457 1.999 9.834 1.00 0.00 C
679
+ ATOM 678 CZ PHE A 89 11.468 0.636 9.583 1.00 0.00 C
680
+ ATOM 679 N GLY A 90 10.783 2.211 4.049 1.00 0.00 N
681
+ ATOM 680 CA GLY A 90 10.638 1.221 2.995 1.00 0.00 C
682
+ ATOM 681 C GLY A 90 9.421 1.454 2.119 1.00 0.00 C
683
+ ATOM 682 O GLY A 90 9.177 2.577 1.674 1.00 0.00 O
684
+ ATOM 683 N ASN A 91 8.655 0.371 2.017 1.00 0.00 N
685
+ ATOM 684 CA ASN A 91 7.421 0.424 1.240 1.00 0.00 C
686
+ ATOM 685 C ASN A 91 6.190 0.263 2.129 1.00 0.00 C
687
+ ATOM 686 CB ASN A 91 7.429 -0.646 0.146 1.00 0.00 C
688
+ ATOM 687 O ASN A 91 5.106 -0.059 1.642 1.00 0.00 O
689
+ ATOM 688 CG ASN A 91 6.578 -0.265 -1.050 1.00 0.00 C
690
+ ATOM 689 ND2 ASN A 91 5.853 -1.235 -1.595 1.00 0.00 N
691
+ ATOM 690 OD1 ASN A 91 6.571 0.891 -1.480 1.00 0.00 O
692
+ ATOM 691 N GLU A 92 6.332 0.502 3.399 1.00 0.00 N
693
+ ATOM 692 CA GLU A 92 5.255 0.311 4.368 1.00 0.00 C
694
+ ATOM 693 C GLU A 92 4.207 1.414 4.250 1.00 0.00 C
695
+ ATOM 694 CB GLU A 92 5.815 0.266 5.791 1.00 0.00 C
696
+ ATOM 695 O GLU A 92 4.529 2.549 3.895 1.00 0.00 O
697
+ ATOM 696 CG GLU A 92 6.781 -0.883 6.036 1.00 0.00 C
698
+ ATOM 697 CD GLU A 92 6.086 -2.226 6.202 1.00 0.00 C
699
+ ATOM 698 OE1 GLU A 92 4.853 -2.249 6.417 1.00 0.00 O
700
+ ATOM 699 OE2 GLU A 92 6.782 -3.263 6.119 1.00 0.00 O
701
+ ATOM 700 N VAL A 93 3.008 1.027 4.484 1.00 0.00 N
702
+ ATOM 701 CA VAL A 93 1.895 1.948 4.691 1.00 0.00 C
703
+ ATOM 702 C VAL A 93 1.357 1.797 6.113 1.00 0.00 C
704
+ ATOM 703 CB VAL A 93 0.764 1.710 3.666 1.00 0.00 C
705
+ ATOM 704 O VAL A 93 0.869 0.730 6.488 1.00 0.00 O
706
+ ATOM 705 CG1 VAL A 93 -0.402 2.665 3.916 1.00 0.00 C
707
+ ATOM 706 CG2 VAL A 93 1.293 1.870 2.242 1.00 0.00 C
708
+ ATOM 707 N ILE A 94 1.554 2.834 6.868 1.00 0.00 N
709
+ ATOM 708 CA ILE A 94 1.209 2.811 8.286 1.00 0.00 C
710
+ ATOM 709 C ILE A 94 0.205 3.920 8.591 1.00 0.00 C
711
+ ATOM 710 CB ILE A 94 2.464 2.963 9.175 1.00 0.00 C
712
+ ATOM 711 O ILE A 94 0.383 5.063 8.163 1.00 0.00 O
713
+ ATOM 712 CG1 ILE A 94 3.473 1.851 8.869 1.00 0.00 C
714
+ ATOM 713 CG2 ILE A 94 2.078 2.961 10.657 1.00 0.00 C
715
+ ATOM 714 CD1 ILE A 94 4.818 2.029 9.559 1.00 0.00 C
716
+ ATOM 715 N ASN A 95 -0.738 3.554 9.297 1.00 0.00 N
717
+ ATOM 716 CA ASN A 95 -1.747 4.495 9.770 1.00 0.00 C
718
+ ATOM 717 C ASN A 95 -2.190 4.173 11.196 1.00 0.00 C
719
+ ATOM 718 CB ASN A 95 -2.954 4.507 8.829 1.00 0.00 C
720
+ ATOM 719 O ASN A 95 -3.138 3.414 11.398 1.00 0.00 O
721
+ ATOM 720 CG ASN A 95 -3.911 5.645 9.124 1.00 0.00 C
722
+ ATOM 721 ND2 ASN A 95 -5.055 5.647 8.449 1.00 0.00 N
723
+ ATOM 722 OD1 ASN A 95 -3.626 6.516 9.949 1.00 0.00 O
724
+ ATOM 723 N THR A 96 -1.492 4.636 12.155 1.00 0.00 N
725
+ ATOM 724 CA THR A 96 -1.816 4.495 13.570 1.00 0.00 C
726
+ ATOM 725 C THR A 96 -1.961 5.862 14.231 1.00 0.00 C
727
+ ATOM 726 CB THR A 96 -0.742 3.676 14.310 1.00 0.00 C
728
+ ATOM 727 O THR A 96 -1.767 6.894 13.584 1.00 0.00 O
729
+ ATOM 728 CG2 THR A 96 -0.412 2.392 13.555 1.00 0.00 C
730
+ ATOM 729 OG1 THR A 96 0.449 4.463 14.435 1.00 0.00 O
731
+ ATOM 730 N GLU A 97 -2.295 5.818 15.537 1.00 0.00 N
732
+ ATOM 731 CA GLU A 97 -2.457 7.074 16.263 1.00 0.00 C
733
+ ATOM 732 C GLU A 97 -1.132 7.823 16.373 1.00 0.00 C
734
+ ATOM 733 CB GLU A 97 -3.034 6.817 17.658 1.00 0.00 C
735
+ ATOM 734 O GLU A 97 -1.110 9.055 16.397 1.00 0.00 O
736
+ ATOM 735 CG GLU A 97 -4.505 6.429 17.654 1.00 0.00 C
737
+ ATOM 736 CD GLU A 97 -5.094 6.295 19.049 1.00 0.00 C
738
+ ATOM 737 OE1 GLU A 97 -4.346 6.450 20.042 1.00 0.00 O
739
+ ATOM 738 OE2 GLU A 97 -6.312 6.030 19.151 1.00 0.00 O
740
+ ATOM 739 N ARG A 98 -0.032 7.098 16.328 1.00 0.00 N
741
+ ATOM 740 CA ARG A 98 1.255 7.724 16.613 1.00 0.00 C
742
+ ATOM 741 C ARG A 98 2.011 8.032 15.325 1.00 0.00 C
743
+ ATOM 742 CB ARG A 98 2.102 6.826 17.517 1.00 0.00 C
744
+ ATOM 743 O ARG A 98 2.823 8.958 15.283 1.00 0.00 O
745
+ ATOM 744 CG ARG A 98 1.532 6.647 18.915 1.00 0.00 C
746
+ ATOM 745 CD ARG A 98 2.471 5.848 19.808 1.00 0.00 C
747
+ ATOM 746 NE ARG A 98 3.770 6.499 19.944 1.00 0.00 N
748
+ ATOM 747 NH1 ARG A 98 4.987 4.535 19.929 1.00 0.00 N
749
+ ATOM 748 NH2 ARG A 98 6.059 6.552 20.123 1.00 0.00 N
750
+ ATOM 749 CZ ARG A 98 4.936 5.860 19.998 1.00 0.00 C
751
+ ATOM 750 N LEU A 99 1.740 7.206 14.305 1.00 0.00 N
752
+ ATOM 751 CA LEU A 99 2.602 7.288 13.131 1.00 0.00 C
753
+ ATOM 752 C LEU A 99 1.805 7.047 11.854 1.00 0.00 C
754
+ ATOM 753 CB LEU A 99 3.745 6.275 13.233 1.00 0.00 C
755
+ ATOM 754 O LEU A 99 1.057 6.071 11.759 1.00 0.00 O
756
+ ATOM 755 CG LEU A 99 4.726 6.239 12.060 1.00 0.00 C
757
+ ATOM 756 CD1 LEU A 99 5.443 7.579 11.929 1.00 0.00 C
758
+ ATOM 757 CD2 LEU A 99 5.730 5.105 12.237 1.00 0.00 C
759
+ ATOM 758 N THR A 100 1.914 7.959 10.992 1.00 0.00 N
760
+ ATOM 759 CA THR A 100 1.400 7.808 9.635 1.00 0.00 C
761
+ ATOM 760 C THR A 100 2.542 7.799 8.623 1.00 0.00 C
762
+ ATOM 761 CB THR A 100 0.408 8.933 9.285 1.00 0.00 C
763
+ ATOM 762 O THR A 100 3.358 8.723 8.592 1.00 0.00 O
764
+ ATOM 763 CG2 THR A 100 -0.157 8.750 7.880 1.00 0.00 C
765
+ ATOM 764 OG1 THR A 100 -0.671 8.920 10.227 1.00 0.00 O
766
+ ATOM 765 N VAL A 101 2.668 6.789 7.805 1.00 0.00 N
767
+ ATOM 766 CA VAL A 101 3.633 6.619 6.724 1.00 0.00 C
768
+ ATOM 767 C VAL A 101 2.920 6.128 5.466 1.00 0.00 C
769
+ ATOM 768 CB VAL A 101 4.758 5.636 7.117 1.00 0.00 C
770
+ ATOM 769 O VAL A 101 2.209 5.121 5.502 1.00 0.00 O
771
+ ATOM 770 CG1 VAL A 101 5.712 5.411 5.946 1.00 0.00 C
772
+ ATOM 771 CG2 VAL A 101 5.518 6.155 8.337 1.00 0.00 C
773
+ ATOM 772 N PRO A 102 3.085 6.684 4.393 1.00 0.00 N
774
+ ATOM 773 CA PRO A 102 3.795 7.936 4.125 1.00 0.00 C
775
+ ATOM 774 C PRO A 102 3.289 9.097 4.978 1.00 0.00 C
776
+ ATOM 775 CB PRO A 102 3.518 8.189 2.640 1.00 0.00 C
777
+ ATOM 776 O PRO A 102 2.120 9.114 5.372 1.00 0.00 O
778
+ ATOM 777 CG PRO A 102 3.148 6.850 2.088 1.00 0.00 C
779
+ ATOM 778 CD PRO A 102 2.395 6.090 3.143 1.00 0.00 C
780
+ ATOM 779 N HIS A 103 4.199 10.018 5.255 1.00 0.00 N
781
+ ATOM 780 CA HIS A 103 3.861 11.161 6.094 1.00 0.00 C
782
+ ATOM 781 C HIS A 103 2.668 11.926 5.530 1.00 0.00 C
783
+ ATOM 782 CB HIS A 103 5.063 12.095 6.237 1.00 0.00 C
784
+ ATOM 783 O HIS A 103 2.529 12.056 4.312 1.00 0.00 O
785
+ ATOM 784 CG HIS A 103 4.886 13.146 7.287 1.00 0.00 C
786
+ ATOM 785 CD2 HIS A 103 5.377 13.236 8.546 1.00 0.00 C
787
+ ATOM 786 ND1 HIS A 103 4.119 14.273 7.090 1.00 0.00 N
788
+ ATOM 787 CE1 HIS A 103 4.146 15.014 8.186 1.00 0.00 C
789
+ ATOM 788 NE2 HIS A 103 4.902 14.406 9.084 1.00 0.00 N
790
+ ATOM 789 N TYR A 104 1.795 12.452 6.448 1.00 0.00 N
791
+ ATOM 790 CA TYR A 104 0.565 13.133 6.055 1.00 0.00 C
792
+ ATOM 791 C TYR A 104 0.860 14.289 5.108 1.00 0.00 C
793
+ ATOM 792 CB TYR A 104 -0.184 13.646 7.289 1.00 0.00 C
794
+ ATOM 793 O TYR A 104 1.768 15.086 5.356 1.00 0.00 O
795
+ ATOM 794 CG TYR A 104 -1.463 14.376 6.962 1.00 0.00 C
796
+ ATOM 795 CD1 TYR A 104 -2.636 13.678 6.688 1.00 0.00 C
797
+ ATOM 796 CD2 TYR A 104 -1.501 15.766 6.925 1.00 0.00 C
798
+ ATOM 797 CE1 TYR A 104 -3.818 14.346 6.383 1.00 0.00 C
799
+ ATOM 798 CE2 TYR A 104 -2.678 16.445 6.623 1.00 0.00 C
800
+ ATOM 799 OH TYR A 104 -4.995 16.396 6.054 1.00 0.00 O
801
+ ATOM 800 CZ TYR A 104 -3.829 15.728 6.354 1.00 0.00 C
802
+ ATOM 801 N ASP A 105 0.168 14.361 4.036 1.00 0.00 N
803
+ ATOM 802 CA ASP A 105 0.138 15.446 3.061 1.00 0.00 C
804
+ ATOM 803 C ASP A 105 1.508 15.644 2.416 1.00 0.00 C
805
+ ATOM 804 CB ASP A 105 -0.328 16.746 3.718 1.00 0.00 C
806
+ ATOM 805 O ASP A 105 1.768 16.682 1.805 1.00 0.00 O
807
+ ATOM 806 CG ASP A 105 -0.830 17.771 2.716 1.00 0.00 C
808
+ ATOM 807 OD1 ASP A 105 -1.321 17.379 1.636 1.00 0.00 O
809
+ ATOM 808 OD2 ASP A 105 -0.731 18.982 3.008 1.00 0.00 O
810
+ ATOM 809 N MET A 106 2.460 14.670 2.595 1.00 0.00 N
811
+ ATOM 810 CA MET A 106 3.824 14.890 2.123 1.00 0.00 C
812
+ ATOM 811 C MET A 106 3.847 15.109 0.613 1.00 0.00 C
813
+ ATOM 812 CB MET A 106 4.720 13.709 2.495 1.00 0.00 C
814
+ ATOM 813 O MET A 106 4.704 15.829 0.099 1.00 0.00 O
815
+ ATOM 814 CG MET A 106 4.334 12.407 1.811 1.00 0.00 C
816
+ ATOM 815 SD MET A 106 5.455 11.022 2.250 1.00 0.00 S
817
+ ATOM 816 CE MET A 106 7.013 11.640 1.557 1.00 0.00 C
818
+ ATOM 817 N LYS A 107 2.906 14.526 -0.106 1.00 0.00 N
819
+ ATOM 818 CA LYS A 107 2.932 14.635 -1.561 1.00 0.00 C
820
+ ATOM 819 C LYS A 107 2.564 16.047 -2.013 1.00 0.00 C
821
+ ATOM 820 CB LYS A 107 1.979 13.619 -2.193 1.00 0.00 C
822
+ ATOM 821 O LYS A 107 2.728 16.392 -3.185 1.00 0.00 O
823
+ ATOM 822 CG LYS A 107 2.446 12.176 -2.072 1.00 0.00 C
824
+ ATOM 823 CD LYS A 107 1.511 11.223 -2.808 1.00 0.00 C
825
+ ATOM 824 CE LYS A 107 1.948 9.773 -2.642 1.00 0.00 C
826
+ ATOM 825 NZ LYS A 107 1.007 8.831 -3.320 1.00 0.00 N
827
+ ATOM 826 N ASN A 108 2.116 16.869 -1.061 1.00 0.00 N
828
+ ATOM 827 CA ASN A 108 1.759 18.249 -1.371 1.00 0.00 C
829
+ ATOM 828 C ASN A 108 2.713 19.237 -0.704 1.00 0.00 C
830
+ ATOM 829 CB ASN A 108 0.317 18.538 -0.950 1.00 0.00 C
831
+ ATOM 830 O ASN A 108 2.424 20.432 -0.630 1.00 0.00 O
832
+ ATOM 831 CG ASN A 108 -0.695 17.731 -1.740 1.00 0.00 C
833
+ ATOM 832 ND2 ASN A 108 -1.671 17.159 -1.044 1.00 0.00 N
834
+ ATOM 833 OD1 ASN A 108 -0.600 17.623 -2.964 1.00 0.00 O
835
+ ATOM 834 N ARG A 109 3.803 18.729 -0.236 1.00 0.00 N
836
+ ATOM 835 CA ARG A 109 4.760 19.570 0.477 1.00 0.00 C
837
+ ATOM 836 C ARG A 109 6.103 19.602 -0.244 1.00 0.00 C
838
+ ATOM 837 CB ARG A 109 4.946 19.075 1.912 1.00 0.00 C
839
+ ATOM 838 O ARG A 109 6.926 18.700 -0.073 1.00 0.00 O
840
+ ATOM 839 CG ARG A 109 3.695 19.186 2.769 1.00 0.00 C
841
+ ATOM 840 CD ARG A 109 3.940 18.700 4.191 1.00 0.00 C
842
+ ATOM 841 NE ARG A 109 2.730 18.779 5.004 1.00 0.00 N
843
+ ATOM 842 NH1 ARG A 109 3.787 18.278 6.997 1.00 0.00 N
844
+ ATOM 843 NH2 ARG A 109 1.529 18.674 6.959 1.00 0.00 N
845
+ ATOM 844 CZ ARG A 109 2.684 18.577 6.318 1.00 0.00 C
846
+ ATOM 845 N GLY A 110 6.286 20.730 -0.931 1.00 0.00 N
847
+ ATOM 846 CA GLY A 110 7.501 20.883 -1.715 1.00 0.00 C
848
+ ATOM 847 C GLY A 110 8.764 20.804 -0.879 1.00 0.00 C
849
+ ATOM 848 O GLY A 110 9.770 20.241 -1.316 1.00 0.00 O
850
+ ATOM 849 N PHE A 111 8.719 21.332 0.347 1.00 0.00 N
851
+ ATOM 850 CA PHE A 111 9.909 21.381 1.189 1.00 0.00 C
852
+ ATOM 851 C PHE A 111 10.315 19.981 1.633 1.00 0.00 C
853
+ ATOM 852 CB PHE A 111 9.668 22.271 2.412 1.00 0.00 C
854
+ ATOM 853 O PHE A 111 11.424 19.779 2.133 1.00 0.00 O
855
+ ATOM 854 CG PHE A 111 8.633 21.731 3.362 1.00 0.00 C
856
+ ATOM 855 CD1 PHE A 111 7.301 22.111 3.250 1.00 0.00 C
857
+ ATOM 856 CD2 PHE A 111 8.992 20.842 4.366 1.00 0.00 C
858
+ ATOM 857 CE1 PHE A 111 6.340 21.612 4.128 1.00 0.00 C
859
+ ATOM 858 CE2 PHE A 111 8.038 20.338 5.246 1.00 0.00 C
860
+ ATOM 859 CZ PHE A 111 6.713 20.726 5.126 1.00 0.00 C
861
+ ATOM 860 N MET A 112 9.432 19.006 1.507 1.00 0.00 N
862
+ ATOM 861 CA MET A 112 9.772 17.606 1.744 1.00 0.00 C
863
+ ATOM 862 C MET A 112 10.224 16.930 0.454 1.00 0.00 C
864
+ ATOM 863 CB MET A 112 8.578 16.856 2.337 1.00 0.00 C
865
+ ATOM 864 O MET A 112 11.226 16.211 0.443 1.00 0.00 O
866
+ ATOM 865 CG MET A 112 8.222 17.290 3.750 1.00 0.00 C
867
+ ATOM 866 SD MET A 112 6.938 16.222 4.511 1.00 0.00 S
868
+ ATOM 867 CE MET A 112 6.853 16.957 6.167 1.00 0.00 C
869
+ ATOM 868 N LEU A 113 9.524 17.194 -0.639 1.00 0.00 N
870
+ ATOM 869 CA LEU A 113 9.674 16.406 -1.857 1.00 0.00 C
871
+ ATOM 870 C LEU A 113 10.963 16.772 -2.585 1.00 0.00 C
872
+ ATOM 871 CB LEU A 113 8.473 16.619 -2.784 1.00 0.00 C
873
+ ATOM 872 O LEU A 113 11.654 15.895 -3.110 1.00 0.00 O
874
+ ATOM 873 CG LEU A 113 7.124 16.110 -2.273 1.00 0.00 C
875
+ ATOM 874 CD1 LEU A 113 6.046 16.312 -3.331 1.00 0.00 C
876
+ ATOM 875 CD2 LEU A 113 7.223 14.640 -1.877 1.00 0.00 C
877
+ ATOM 876 N TRP A 114 11.377 18.015 -2.614 1.00 0.00 N
878
+ ATOM 877 CA TRP A 114 12.556 18.410 -3.376 1.00 0.00 C
879
+ ATOM 878 C TRP A 114 13.826 17.851 -2.742 1.00 0.00 C
880
+ ATOM 879 CB TRP A 114 12.648 19.936 -3.474 1.00 0.00 C
881
+ ATOM 880 O TRP A 114 14.666 17.269 -3.432 1.00 0.00 O
882
+ ATOM 881 CG TRP A 114 11.738 20.536 -4.502 1.00 0.00 C
883
+ ATOM 882 CD1 TRP A 114 10.653 21.338 -4.276 1.00 0.00 C
884
+ ATOM 883 CD2 TRP A 114 11.830 20.377 -5.921 1.00 0.00 C
885
+ ATOM 884 CE2 TRP A 114 10.768 21.113 -6.494 1.00 0.00 C
886
+ ATOM 885 CE3 TRP A 114 12.709 19.684 -6.765 1.00 0.00 C
887
+ ATOM 886 NE1 TRP A 114 10.067 21.688 -5.470 1.00 0.00 N
888
+ ATOM 887 CH2 TRP A 114 11.436 20.487 -8.677 1.00 0.00 C
889
+ ATOM 888 CZ2 TRP A 114 10.563 21.174 -7.875 1.00 0.00 C
890
+ ATOM 889 CZ3 TRP A 114 12.502 19.747 -8.138 1.00 0.00 C
891
+ ATOM 890 N PRO A 115 13.957 18.049 -1.417 1.00 0.00 N
892
+ ATOM 891 CA PRO A 115 15.118 17.384 -0.820 1.00 0.00 C
893
+ ATOM 892 C PRO A 115 15.083 15.868 -0.995 1.00 0.00 C
894
+ ATOM 893 CB PRO A 115 15.021 17.766 0.658 1.00 0.00 C
895
+ ATOM 894 O PRO A 115 16.125 15.244 -1.211 1.00 0.00 O
896
+ ATOM 895 CG PRO A 115 14.252 19.048 0.673 1.00 0.00 C
897
+ ATOM 896 CD PRO A 115 13.219 18.995 -0.416 1.00 0.00 C
898
+ ATOM 897 N LEU A 116 13.937 15.238 -0.902 1.00 0.00 N
899
+ ATOM 898 CA LEU A 116 13.808 13.799 -1.102 1.00 0.00 C
900
+ ATOM 899 C LEU A 116 14.215 13.408 -2.519 1.00 0.00 C
901
+ ATOM 900 CB LEU A 116 12.372 13.346 -0.827 1.00 0.00 C
902
+ ATOM 901 O LEU A 116 14.912 12.410 -2.716 1.00 0.00 O
903
+ ATOM 902 CG LEU A 116 12.097 11.848 -0.953 1.00 0.00 C
904
+ ATOM 903 CD1 LEU A 116 12.970 11.065 0.022 1.00 0.00 C
905
+ ATOM 904 CD2 LEU A 116 10.621 11.552 -0.712 1.00 0.00 C
906
+ ATOM 905 N PHE A 117 13.806 14.217 -3.476 1.00 0.00 N
907
+ ATOM 906 CA PHE A 117 14.134 13.950 -4.872 1.00 0.00 C
908
+ ATOM 907 C PHE A 117 15.644 13.961 -5.084 1.00 0.00 C
909
+ ATOM 908 CB PHE A 117 13.468 14.981 -5.789 1.00 0.00 C
910
+ ATOM 909 O PHE A 117 16.171 13.174 -5.872 1.00 0.00 O
911
+ ATOM 910 CG PHE A 117 13.765 14.776 -7.250 1.00 0.00 C
912
+ ATOM 911 CD1 PHE A 117 13.170 13.737 -7.954 1.00 0.00 C
913
+ ATOM 912 CD2 PHE A 117 14.639 15.623 -7.919 1.00 0.00 C
914
+ ATOM 913 CE1 PHE A 117 13.443 13.543 -9.306 1.00 0.00 C
915
+ ATOM 914 CE2 PHE A 117 14.917 15.436 -9.270 1.00 0.00 C
916
+ ATOM 915 CZ PHE A 117 14.318 14.396 -9.962 1.00 0.00 C
917
+ ATOM 916 N GLU A 118 16.345 14.809 -4.381 1.00 0.00 N
918
+ ATOM 917 CA GLU A 118 17.795 14.906 -4.521 1.00 0.00 C
919
+ ATOM 918 C GLU A 118 18.479 13.605 -4.111 1.00 0.00 C
920
+ ATOM 919 CB GLU A 118 18.339 16.071 -3.689 1.00 0.00 C
921
+ ATOM 920 O GLU A 118 19.442 13.176 -4.750 1.00 0.00 O
922
+ ATOM 921 CG GLU A 118 19.833 16.302 -3.858 1.00 0.00 C
923
+ ATOM 922 CD GLU A 118 20.374 17.408 -2.966 1.00 0.00 C
924
+ ATOM 923 OE1 GLU A 118 19.684 18.437 -2.788 1.00 0.00 O
925
+ ATOM 924 OE2 GLU A 118 21.498 17.243 -2.440 1.00 0.00 O
926
+ ATOM 925 N ILE A 119 17.980 12.894 -3.136 1.00 0.00 N
927
+ ATOM 926 CA ILE A 119 18.695 11.742 -2.598 1.00 0.00 C
928
+ ATOM 927 C ILE A 119 18.060 10.452 -3.117 1.00 0.00 C
929
+ ATOM 928 CB ILE A 119 18.700 11.752 -1.053 1.00 0.00 C
930
+ ATOM 929 O ILE A 119 18.674 9.385 -3.060 1.00 0.00 O
931
+ ATOM 930 CG1 ILE A 119 17.267 11.682 -0.512 1.00 0.00 C
932
+ ATOM 931 CG2 ILE A 119 19.425 12.992 -0.523 1.00 0.00 C
933
+ ATOM 932 CD1 ILE A 119 17.183 11.470 0.993 1.00 0.00 C
934
+ ATOM 933 N ALA A 120 16.793 10.528 -3.593 1.00 0.00 N
935
+ ATOM 934 CA ALA A 120 16.096 9.366 -4.139 1.00 0.00 C
936
+ ATOM 935 C ALA A 120 15.295 9.742 -5.383 1.00 0.00 C
937
+ ATOM 936 CB ALA A 120 15.179 8.752 -3.085 1.00 0.00 C
938
+ ATOM 937 O ALA A 120 14.062 9.701 -5.370 1.00 0.00 O
939
+ ATOM 938 N PRO A 121 15.944 10.063 -6.464 1.00 0.00 N
940
+ ATOM 939 CA PRO A 121 15.275 10.597 -7.654 1.00 0.00 C
941
+ ATOM 940 C PRO A 121 14.368 9.572 -8.331 1.00 0.00 C
942
+ ATOM 941 CB PRO A 121 16.439 10.985 -8.569 1.00 0.00 C
943
+ ATOM 942 O PRO A 121 13.445 9.944 -9.058 1.00 0.00 O
944
+ ATOM 943 CG PRO A 121 17.601 10.189 -8.067 1.00 0.00 C
945
+ ATOM 944 CD PRO A 121 17.463 10.028 -6.581 1.00 0.00 C
946
+ ATOM 945 N GLU A 122 14.558 8.273 -8.045 1.00 0.00 N
947
+ ATOM 946 CA GLU A 122 13.748 7.234 -8.674 1.00 0.00 C
948
+ ATOM 947 C GLU A 122 12.750 6.638 -7.686 1.00 0.00 C
949
+ ATOM 948 CB GLU A 122 14.641 6.131 -9.250 1.00 0.00 C
950
+ ATOM 949 O GLU A 122 12.204 5.558 -7.922 1.00 0.00 O
951
+ ATOM 950 CG GLU A 122 15.600 6.616 -10.327 1.00 0.00 C
952
+ ATOM 951 CD GLU A 122 14.895 7.240 -11.522 1.00 0.00 C
953
+ ATOM 952 OE1 GLU A 122 13.802 6.761 -11.899 1.00 0.00 O
954
+ ATOM 953 OE2 GLU A 122 15.443 8.212 -12.087 1.00 0.00 O
955
+ ATOM 954 N LEU A 123 12.523 7.363 -6.695 1.00 0.00 N
956
+ ATOM 955 CA LEU A 123 11.644 6.862 -5.643 1.00 0.00 C
957
+ ATOM 956 C LEU A 123 10.219 6.697 -6.159 1.00 0.00 C
958
+ ATOM 957 CB LEU A 123 11.657 7.807 -4.439 1.00 0.00 C
959
+ ATOM 958 O LEU A 123 9.689 7.586 -6.829 1.00 0.00 O
960
+ ATOM 959 CG LEU A 123 10.815 7.383 -3.235 1.00 0.00 C
961
+ ATOM 960 CD1 LEU A 123 11.677 7.325 -1.978 1.00 0.00 C
962
+ ATOM 961 CD2 LEU A 123 9.641 8.336 -3.040 1.00 0.00 C
963
+ ATOM 962 N VAL A 124 9.626 5.564 -5.836 1.00 0.00 N
964
+ ATOM 963 CA VAL A 124 8.219 5.262 -6.076 1.00 0.00 C
965
+ ATOM 964 C VAL A 124 7.491 5.096 -4.745 1.00 0.00 C
966
+ ATOM 965 CB VAL A 124 8.051 3.993 -6.939 1.00 0.00 C
967
+ ATOM 966 O VAL A 124 7.915 4.312 -3.893 1.00 0.00 O
968
+ ATOM 967 CG1 VAL A 124 6.575 3.734 -7.237 1.00 0.00 C
969
+ ATOM 968 CG2 VAL A 124 8.847 4.119 -8.237 1.00 0.00 C
970
+ ATOM 969 N PHE A 125 6.444 5.838 -4.571 1.00 0.00 N
971
+ ATOM 970 CA PHE A 125 5.649 5.743 -3.353 1.00 0.00 C
972
+ ATOM 971 C PHE A 125 4.909 4.411 -3.293 1.00 0.00 C
973
+ ATOM 972 CB PHE A 125 4.652 6.902 -3.269 1.00 0.00 C
974
+ ATOM 973 O PHE A 125 4.715 3.757 -4.319 1.00 0.00 O
975
+ ATOM 974 CG PHE A 125 5.283 8.221 -2.914 1.00 0.00 C
976
+ ATOM 975 CD1 PHE A 125 5.385 8.625 -1.589 1.00 0.00 C
977
+ ATOM 976 CD2 PHE A 125 5.776 9.057 -3.907 1.00 0.00 C
978
+ ATOM 977 CE1 PHE A 125 5.968 9.845 -1.257 1.00 0.00 C
979
+ ATOM 978 CE2 PHE A 125 6.361 10.279 -3.584 1.00 0.00 C
980
+ ATOM 979 CZ PHE A 125 6.455 10.671 -2.258 1.00 0.00 C
981
+ ATOM 980 N PRO A 126 4.515 4.037 -2.124 1.00 0.00 N
982
+ ATOM 981 CA PRO A 126 3.836 2.746 -1.984 1.00 0.00 C
983
+ ATOM 982 C PRO A 126 2.606 2.628 -2.881 1.00 0.00 C
984
+ ATOM 983 CB PRO A 126 3.441 2.713 -0.506 1.00 0.00 C
985
+ ATOM 984 O PRO A 126 2.212 1.519 -3.251 1.00 0.00 O
986
+ ATOM 985 CG PRO A 126 4.500 3.507 0.190 1.00 0.00 C
987
+ ATOM 986 CD PRO A 126 4.896 4.654 -0.697 1.00 0.00 C
988
+ ATOM 987 N ASP A 127 1.967 3.748 -3.257 1.00 0.00 N
989
+ ATOM 988 CA ASP A 127 0.765 3.714 -4.084 1.00 0.00 C
990
+ ATOM 989 C ASP A 127 1.121 3.715 -5.568 1.00 0.00 C
991
+ ATOM 990 CB ASP A 127 -0.142 4.903 -3.760 1.00 0.00 C
992
+ ATOM 991 O ASP A 127 0.235 3.765 -6.425 1.00 0.00 O
993
+ ATOM 992 CG ASP A 127 0.504 6.243 -4.062 1.00 0.00 C
994
+ ATOM 993 OD1 ASP A 127 1.649 6.269 -4.564 1.00 0.00 O
995
+ ATOM 994 OD2 ASP A 127 -0.135 7.283 -3.792 1.00 0.00 O
996
+ ATOM 995 N GLY A 128 2.404 3.735 -5.897 1.00 0.00 N
997
+ ATOM 996 CA GLY A 128 2.830 3.553 -7.276 1.00 0.00 C
998
+ ATOM 997 C GLY A 128 3.211 4.852 -7.960 1.00 0.00 C
999
+ ATOM 998 O GLY A 128 3.740 4.841 -9.073 1.00 0.00 O
1000
+ ATOM 999 N GLU A 129 2.928 5.947 -7.339 1.00 0.00 N
1001
+ ATOM 1000 CA GLU A 129 3.248 7.230 -7.956 1.00 0.00 C
1002
+ ATOM 1001 C GLU A 129 4.745 7.518 -7.889 1.00 0.00 C
1003
+ ATOM 1002 CB GLU A 129 2.464 8.361 -7.282 1.00 0.00 C
1004
+ ATOM 1003 O GLU A 129 5.376 7.313 -6.849 1.00 0.00 O
1005
+ ATOM 1004 CG GLU A 129 0.987 8.385 -7.644 1.00 0.00 C
1006
+ ATOM 1005 CD GLU A 129 0.273 9.639 -7.167 1.00 0.00 C
1007
+ ATOM 1006 OE1 GLU A 129 -0.362 9.604 -6.089 1.00 0.00 O
1008
+ ATOM 1007 OE2 GLU A 129 0.349 10.667 -7.878 1.00 0.00 O
1009
+ ATOM 1008 N MET A 130 5.281 8.001 -8.899 1.00 0.00 N
1010
+ ATOM 1009 CA MET A 130 6.698 8.344 -8.934 1.00 0.00 C
1011
+ ATOM 1010 C MET A 130 6.929 9.760 -8.418 1.00 0.00 C
1012
+ ATOM 1011 CB MET A 130 7.250 8.208 -10.354 1.00 0.00 C
1013
+ ATOM 1012 O MET A 130 6.190 10.682 -8.768 1.00 0.00 O
1014
+ ATOM 1013 CG MET A 130 7.181 6.794 -10.906 1.00 0.00 C
1015
+ ATOM 1014 SD MET A 130 7.829 6.675 -12.619 1.00 0.00 S
1016
+ ATOM 1015 CE MET A 130 9.613 6.715 -12.290 1.00 0.00 C
1017
+ ATOM 1016 N LEU A 131 7.939 9.870 -7.605 1.00 0.00 N
1018
+ ATOM 1017 CA LEU A 131 8.289 11.175 -7.054 1.00 0.00 C
1019
+ ATOM 1018 C LEU A 131 8.548 12.184 -8.168 1.00 0.00 C
1020
+ ATOM 1019 CB LEU A 131 9.522 11.063 -6.154 1.00 0.00 C
1021
+ ATOM 1020 O LEU A 131 8.076 13.321 -8.103 1.00 0.00 O
1022
+ ATOM 1021 CG LEU A 131 10.064 12.373 -5.580 1.00 0.00 C
1023
+ ATOM 1022 CD1 LEU A 131 8.974 13.100 -4.798 1.00 0.00 C
1024
+ ATOM 1023 CD2 LEU A 131 11.278 12.109 -4.697 1.00 0.00 C
1025
+ ATOM 1024 N ARG A 132 9.229 11.763 -9.179 1.00 0.00 N
1026
+ ATOM 1025 CA ARG A 132 9.544 12.622 -10.316 1.00 0.00 C
1027
+ ATOM 1026 C ARG A 132 8.273 13.145 -10.976 1.00 0.00 C
1028
+ ATOM 1027 CB ARG A 132 10.394 11.869 -11.341 1.00 0.00 C
1029
+ ATOM 1028 O ARG A 132 8.206 14.312 -11.368 1.00 0.00 O
1030
+ ATOM 1029 CG ARG A 132 10.857 12.726 -12.509 1.00 0.00 C
1031
+ ATOM 1030 CD ARG A 132 11.654 11.917 -13.522 1.00 0.00 C
1032
+ ATOM 1031 NE ARG A 132 12.958 11.526 -12.994 1.00 0.00 N
1033
+ ATOM 1032 NH1 ARG A 132 14.162 12.979 -14.329 1.00 0.00 N
1034
+ ATOM 1033 NH2 ARG A 132 15.248 11.612 -12.842 1.00 0.00 N
1035
+ ATOM 1034 CZ ARG A 132 14.120 12.041 -13.389 1.00 0.00 C
1036
+ ATOM 1035 N GLN A 133 7.358 12.332 -11.089 1.00 0.00 N
1037
+ ATOM 1036 CA GLN A 133 6.088 12.714 -11.697 1.00 0.00 C
1038
+ ATOM 1037 C GLN A 133 5.347 13.728 -10.831 1.00 0.00 C
1039
+ ATOM 1038 CB GLN A 133 5.212 11.482 -11.929 1.00 0.00 C
1040
+ ATOM 1039 O GLN A 133 4.767 14.686 -11.347 1.00 0.00 O
1041
+ ATOM 1040 CG GLN A 133 3.931 11.775 -12.697 1.00 0.00 C
1042
+ ATOM 1041 CD GLN A 133 3.135 10.521 -13.011 1.00 0.00 C
1043
+ ATOM 1042 NE2 GLN A 133 1.923 10.701 -13.525 1.00 0.00 N
1044
+ ATOM 1043 OE1 GLN A 133 3.606 9.400 -12.794 1.00 0.00 O
1045
+ ATOM 1044 N ILE A 134 5.321 13.574 -9.578 1.00 0.00 N
1046
+ ATOM 1045 CA ILE A 134 4.658 14.486 -8.653 1.00 0.00 C
1047
+ ATOM 1046 C ILE A 134 5.273 15.878 -8.772 1.00 0.00 C
1048
+ ATOM 1047 CB ILE A 134 4.752 13.981 -7.195 1.00 0.00 C
1049
+ ATOM 1048 O ILE A 134 4.553 16.874 -8.875 1.00 0.00 O
1050
+ ATOM 1049 CG1 ILE A 134 3.969 12.673 -7.031 1.00 0.00 C
1051
+ ATOM 1050 CG2 ILE A 134 4.248 15.049 -6.220 1.00 0.00 C
1052
+ ATOM 1051 CD1 ILE A 134 4.144 12.014 -5.670 1.00 0.00 C
1053
+ ATOM 1052 N LEU A 135 6.551 15.934 -8.809 1.00 0.00 N
1054
+ ATOM 1053 CA LEU A 135 7.244 17.217 -8.829 1.00 0.00 C
1055
+ ATOM 1054 C LEU A 135 7.021 17.935 -10.156 1.00 0.00 C
1056
+ ATOM 1055 CB LEU A 135 8.743 17.020 -8.589 1.00 0.00 C
1057
+ ATOM 1056 O LEU A 135 7.062 19.166 -10.214 1.00 0.00 O
1058
+ ATOM 1057 CG LEU A 135 9.167 16.734 -7.147 1.00 0.00 C
1059
+ ATOM 1058 CD1 LEU A 135 10.639 16.338 -7.096 1.00 0.00 C
1060
+ ATOM 1059 CD2 LEU A 135 8.903 17.947 -6.261 1.00 0.00 C
1061
+ ATOM 1060 N HIS A 136 6.702 17.270 -11.215 1.00 0.00 N
1062
+ ATOM 1061 CA HIS A 136 6.460 17.854 -12.530 1.00 0.00 C
1063
+ ATOM 1062 C HIS A 136 5.012 18.309 -12.673 1.00 0.00 C
1064
+ ATOM 1063 CB HIS A 136 6.808 16.852 -13.633 1.00 0.00 C
1065
+ ATOM 1064 O HIS A 136 4.716 19.216 -13.455 1.00 0.00 O
1066
+ ATOM 1065 CG HIS A 136 8.277 16.712 -13.876 1.00 0.00 C
1067
+ ATOM 1066 CD2 HIS A 136 9.042 15.617 -14.090 1.00 0.00 C
1068
+ ATOM 1067 ND1 HIS A 136 9.131 17.794 -13.913 1.00 0.00 N
1069
+ ATOM 1068 CE1 HIS A 136 10.362 17.368 -14.142 1.00 0.00 C
1070
+ ATOM 1069 NE2 HIS A 136 10.336 16.050 -14.253 1.00 0.00 N
1071
+ ATOM 1070 N THR A 137 4.158 17.645 -11.919 1.00 0.00 N
1072
+ ATOM 1071 CA THR A 137 2.745 17.860 -12.206 1.00 0.00 C
1073
+ ATOM 1072 C THR A 137 2.126 18.816 -11.190 1.00 0.00 C
1074
+ ATOM 1073 CB THR A 137 1.965 16.531 -12.206 1.00 0.00 C
1075
+ ATOM 1074 O THR A 137 1.034 19.344 -11.412 1.00 0.00 O
1076
+ ATOM 1075 CG2 THR A 137 2.416 15.630 -13.351 1.00 0.00 C
1077
+ ATOM 1076 OG1 THR A 137 2.189 15.853 -10.963 1.00 0.00 O
1078
+ ATOM 1077 N ARG A 138 2.836 19.009 -10.126 1.00 0.00 N
1079
+ ATOM 1078 CA ARG A 138 2.256 19.849 -9.083 1.00 0.00 C
1080
+ ATOM 1079 C ARG A 138 3.062 21.130 -8.901 1.00 0.00 C
1081
+ ATOM 1080 CB ARG A 138 2.179 19.085 -7.759 1.00 0.00 C
1082
+ ATOM 1081 O ARG A 138 4.263 21.159 -9.175 1.00 0.00 O
1083
+ ATOM 1082 CG ARG A 138 1.352 17.812 -7.830 1.00 0.00 C
1084
+ ATOM 1083 CD ARG A 138 1.216 17.150 -6.465 1.00 0.00 C
1085
+ ATOM 1084 NE ARG A 138 0.634 15.816 -6.568 1.00 0.00 N
1086
+ ATOM 1085 NH1 ARG A 138 0.837 15.329 -4.319 1.00 0.00 N
1087
+ ATOM 1086 NH2 ARG A 138 -0.074 13.789 -5.752 1.00 0.00 N
1088
+ ATOM 1087 CZ ARG A 138 0.467 14.980 -5.546 1.00 0.00 C
1089
+ ATOM 1088 N ALA A 139 2.356 22.150 -8.672 1.00 0.00 N
1090
+ ATOM 1089 CA ALA A 139 3.013 23.429 -8.417 1.00 0.00 C
1091
+ ATOM 1090 C ALA A 139 3.483 23.526 -6.968 1.00 0.00 C
1092
+ ATOM 1091 CB ALA A 139 2.070 24.585 -8.745 1.00 0.00 C
1093
+ ATOM 1092 O ALA A 139 2.703 23.301 -6.040 1.00 0.00 O
1094
+ ATOM 1093 N PHE A 140 4.787 23.568 -6.792 1.00 0.00 N
1095
+ ATOM 1094 CA PHE A 140 5.356 23.747 -5.462 1.00 0.00 C
1096
+ ATOM 1095 C PHE A 140 6.022 25.112 -5.337 1.00 0.00 C
1097
+ ATOM 1096 CB PHE A 140 6.368 22.639 -5.155 1.00 0.00 C
1098
+ ATOM 1097 O PHE A 140 6.460 25.689 -6.334 1.00 0.00 O
1099
+ ATOM 1098 CG PHE A 140 5.776 21.256 -5.169 1.00 0.00 C
1100
+ ATOM 1099 CD1 PHE A 140 5.021 20.796 -4.095 1.00 0.00 C
1101
+ ATOM 1100 CD2 PHE A 140 5.974 20.414 -6.256 1.00 0.00 C
1102
+ ATOM 1101 CE1 PHE A 140 4.473 19.515 -4.107 1.00 0.00 C
1103
+ ATOM 1102 CE2 PHE A 140 5.429 19.133 -6.273 1.00 0.00 C
1104
+ ATOM 1103 CZ PHE A 140 4.680 18.686 -5.197 1.00 0.00 C
1105
+ ATOM 1104 N ASP A 141 5.905 25.605 -4.199 1.00 0.00 N
1106
+ ATOM 1105 CA ASP A 141 6.653 26.837 -3.966 1.00 0.00 C
1107
+ ATOM 1106 C ASP A 141 8.129 26.657 -4.312 1.00 0.00 C
1108
+ ATOM 1107 CB ASP A 141 6.504 27.288 -2.512 1.00 0.00 C
1109
+ ATOM 1108 O ASP A 141 8.683 25.569 -4.147 1.00 0.00 O
1110
+ ATOM 1109 CG ASP A 141 5.094 27.734 -2.170 1.00 0.00 C
1111
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1112
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1113
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1114
+ ATOM 1113 CA LYS A 142 10.165 27.603 -5.122 1.00 0.00 C
1115
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1116
+ ATOM 1115 CB LYS A 142 10.580 28.867 -5.875 1.00 0.00 C
1117
+ ATOM 1116 O LYS A 142 10.630 28.119 -2.825 1.00 0.00 O
1118
+ ATOM 1117 CG LYS A 142 10.213 28.857 -7.353 1.00 0.00 C
1119
+ ATOM 1118 CD LYS A 142 10.858 30.019 -8.097 1.00 0.00 C
1120
+ ATOM 1119 CE LYS A 142 10.434 30.051 -9.559 1.00 0.00 C
1121
+ ATOM 1120 NZ LYS A 142 11.062 31.190 -10.293 1.00 0.00 N
1122
+ ATOM 1121 N LEU A 143 11.834 26.439 -3.789 1.00 0.00 N
1123
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1124
+ ATOM 1123 C LEU A 143 14.189 26.741 -3.156 1.00 0.00 C
1125
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1126
+ ATOM 1125 O LEU A 143 14.545 26.593 -4.328 1.00 0.00 O
1127
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1128
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1129
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1130
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1131
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1132
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1133
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1134
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1135
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1136
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1137
+ ATOM 1136 OD1 ASN A 144 15.391 30.001 -4.320 1.00 0.00 O
1138
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1139
+ ATOM 1138 CA LYS A 145 19.108 25.561 -2.178 1.00 0.00 C
1140
+ ATOM 1139 C LYS A 145 19.987 26.493 -1.351 1.00 0.00 C
1141
+ ATOM 1140 CB LYS A 145 19.948 24.857 -3.246 1.00 0.00 C
1142
+ ATOM 1141 O LYS A 145 20.224 27.639 -1.738 1.00 0.00 O
1143
+ ATOM 1142 CG LYS A 145 19.283 23.627 -3.845 1.00 0.00 C
1144
+ ATOM 1143 CD LYS A 145 20.236 22.865 -4.757 1.00 0.00 C
1145
+ ATOM 1144 CE LYS A 145 19.567 21.644 -5.371 1.00 0.00 C
1146
+ ATOM 1145 NZ LYS A 145 20.509 20.870 -6.235 1.00 0.00 N
1147
+ ATOM 1146 N TRP A 146 20.289 26.052 -0.253 1.00 0.00 N
1148
+ ATOM 1147 CA TRP A 146 21.143 26.846 0.623 1.00 0.00 C
1149
+ ATOM 1148 C TRP A 146 22.614 26.651 0.273 1.00 0.00 C
1150
+ ATOM 1149 CB TRP A 146 20.901 26.477 2.089 1.00 0.00 C
1151
+ ATOM 1150 O TRP A 146 23.056 25.527 0.024 1.00 0.00 O
1152
+ ATOM 1151 CG TRP A 146 21.557 27.405 3.067 1.00 0.00 C
1153
+ ATOM 1152 CD1 TRP A 146 22.821 27.304 3.578 1.00 0.00 C
1154
+ ATOM 1153 CD2 TRP A 146 20.978 28.573 3.657 1.00 0.00 C
1155
+ ATOM 1154 CE2 TRP A 146 21.949 29.134 4.516 1.00 0.00 C
1156
+ ATOM 1155 CE3 TRP A 146 19.730 29.201 3.541 1.00 0.00 C
1157
+ ATOM 1156 NE1 TRP A 146 23.063 28.341 4.450 1.00 0.00 N
1158
+ ATOM 1157 CH2 TRP A 146 20.482 30.889 5.124 1.00 0.00 C
1159
+ ATOM 1158 CZ2 TRP A 146 21.711 30.294 5.256 1.00 0.00 C
1160
+ ATOM 1159 CZ3 TRP A 146 19.495 30.356 4.279 1.00 0.00 C
1161
+ ATOM 1160 OXT TRP A 146 22.743 27.846 0.392 1.00 0.00 O
1162
+ TER 1161 TRP A 146
1163
+ END
1ru2/1ru2_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1w31/1w31_ligand.mol2 ADDED
@@ -0,0 +1,49 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
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5
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12
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14
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15
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16
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17
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18
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+ 1 SHO 1
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+
1w31/1w31_ligand.sdf ADDED
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+ 1w31_ligand
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+ 7 18 1 0 0 0
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+ M END
41
+ $$$$
1w31/1w31_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1w31/1w31_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ysi/1ysi_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:53 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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1ysi/1ysi_ligand.sdf ADDED
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+ M END
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+ $$$$
1zzl/1zzl_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1zzl/1zzl_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ay5/2ay5_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
3
+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 2ay5_ligand
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+
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+
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+ @<TRIPOS>ATOM
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+ 1 IOP 1
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+
2ay5/2ay5_ligand.sdf ADDED
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1
+ 2ay5_ligand
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+ -I-interpret-
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+ M END
55
+ $$$$
2ay5/2ay5_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ay5/2ay5_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff