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LindertLab
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DMS-Fold2-Training-Dataset

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  1. mmcifs/2MW9_A.cif +780 -0
  2. mmcifs/2N88_A.cif +1166 -0
  3. mmcifs/2NLR_A.cif +0 -0
  4. mmcifs/2NLY_A.cif +0 -0
  5. mmcifs/2NN5_A.cif +0 -0
  6. mmcifs/2NNN_A.cif +0 -0
  7. mmcifs/2NNU_A.cif +0 -0
  8. mmcifs/2NOG_A.cif +0 -0
  9. mmcifs/2NP9_A.cif +0 -0
  10. mmcifs/2NPT_A.cif +1239 -0
  11. mmcifs/2NQ2_A.cif +0 -0
  12. mmcifs/2NQ3_A.cif +0 -0
  13. mmcifs/2NQL_A.cif +0 -0
  14. mmcifs/2NQW_A.cif +1062 -0
  15. mmcifs/2NR5_A.cif +799 -0
  16. mmcifs/2NR7_A.cif +0 -0
  17. mmcifs/2NRH_A.cif +0 -0
  18. mmcifs/2NRJ_A.cif +0 -0
  19. mmcifs/2NRK_A.cif +0 -0
  20. mmcifs/2NRR_A.cif +0 -0
  21. mmcifs/2NS0_A.cif +1031 -0
  22. mmcifs/2NS6_A.cif +0 -0
  23. mmcifs/2NS9_A.cif +0 -0
  24. mmcifs/2NSA_A.cif +0 -0
  25. mmcifs/2NSC_A.cif +1298 -0
  26. mmcifs/2NSF_A.cif +0 -0
  27. mmcifs/2NSZ_A.cif +0 -0
  28. mmcifs/2NTK_A.cif +0 -0
  29. mmcifs/2NTP_A.cif +0 -0
  30. mmcifs/2NTX_A.cif +0 -0
  31. mmcifs/2NUJ_A.cif +0 -0
  32. mmcifs/2NUT_A.cif +0 -0
  33. mmcifs/2NUT_C.cif +0 -0
  34. mmcifs/2NVN_A.cif +1416 -0
  35. mmcifs/2NVO_A.cif +0 -0
  36. mmcifs/2NVW_A.cif +0 -0
  37. mmcifs/2NW8_A.cif +0 -0
  38. mmcifs/2NWF_A.cif +0 -0
  39. mmcifs/2NWH_A.cif +0 -0
  40. mmcifs/2NWI_A.cif +0 -0
  41. mmcifs/2NWR_A.cif +0 -0
  42. mmcifs/2NX2_A.cif +0 -0
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  45. mmcifs/2NXF_A.cif +0 -0
  46. mmcifs/2NXP_A.cif +0 -0
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  48. mmcifs/2NXW_A.cif +0 -0
  49. mmcifs/2NYA_A.cif +0 -0
  50. mmcifs/2NYI_A.cif +0 -0
mmcifs/2MW9_A.cif ADDED
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1
+ data_2MW9_A
2
+ #
3
+ _pdbx_database_status.entry_id 2MW9_A
4
+ _pdbx_database_status.status_code .
5
+ _pdbx_database_status.status_code_sf ?
6
+ _pdbx_database_status.status_code_mr ?
7
+ _pdbx_database_status.status_code_cs ?
8
+ _pdbx_database_status.recvd_initial_deposition_date ?
9
+ _pdbx_database_status.status_code_nmr_data ?
10
+ _pdbx_database_status.deposit_site ?
11
+ _pdbx_database_status.process_site ?
12
+ _pdbx_database_status.SG_entry ?
13
+ _pdbx_database_status.pdb_format_compatible Y
14
+ _pdbx_database_status.methods_development_category ?
15
+ #
16
+ _entity_poly.entity_id 1
17
+ _entity_poly.type "polypeptide(L)"
18
+ _entity_poly.nstd_linkage no
19
+ _entity_poly.nstd_monomer no
20
+ _entity_poly.pdbx_seq_one_letter_code VSEWTERKTADGKTYYYNNRTLESTWEKPQELK
21
+ _entity_poly.pdbx_seq_one_letter_code_can VSEWTERKTADGKTYYYNNRTLESTWEKPQELK
22
+ _entity_poly.pdbx_strand_id A
23
+ _entity_poly.pdbx_target_identifier ?
24
+ #
25
+ loop_
26
+ _entity_poly_seq.entity_id
27
+ _entity_poly_seq.num
28
+ _entity_poly_seq.mon_id
29
+ _entity_poly_seq.hetero
30
+ 1 1 VAL n
31
+ 1 2 SER n
32
+ 1 3 GLU n
33
+ 1 4 TRP n
34
+ 1 5 THR n
35
+ 1 6 GLU n
36
+ 1 7 ARG n
37
+ 1 8 LYS n
38
+ 1 9 THR n
39
+ 1 10 ALA n
40
+ 1 11 ASP n
41
+ 1 12 GLY n
42
+ 1 13 LYS n
43
+ 1 14 THR n
44
+ 1 15 TYR n
45
+ 1 16 TYR n
46
+ 1 17 TYR n
47
+ 1 18 ASN n
48
+ 1 19 ASN n
49
+ 1 20 ARG n
50
+ 1 21 THR n
51
+ 1 22 LEU n
52
+ 1 23 GLU n
53
+ 1 24 SER n
54
+ 1 25 THR n
55
+ 1 26 TRP n
56
+ 1 27 GLU n
57
+ 1 28 LYS n
58
+ 1 29 PRO n
59
+ 1 30 GLN n
60
+ 1 31 GLU n
61
+ 1 32 LEU n
62
+ 1 33 LYS n
63
+ #
64
+ _entity.id 1
65
+ _entity.type polymer
66
+ _entity.src_method man
67
+ _entity.pdbx_description ?
68
+ _entity.formula_weight 4058.419
69
+ _entity.pdbx_number_of_molecules 1
70
+ _entity.pdbx_ec ?
71
+ _entity.pdbx_mutation ?
72
+ _entity.pdbx_fragment ?
73
+ _entity.details ?
74
+ #
75
+ loop_
76
+ _pdbx_poly_seq_scheme.asym_id
77
+ _pdbx_poly_seq_scheme.entity_id
78
+ _pdbx_poly_seq_scheme.seq_id
79
+ _pdbx_poly_seq_scheme.mon_id
80
+ _pdbx_poly_seq_scheme.ndb_seq_num
81
+ _pdbx_poly_seq_scheme.pdb_seq_num
82
+ _pdbx_poly_seq_scheme.auth_seq_num
83
+ _pdbx_poly_seq_scheme.pdb_mon_id
84
+ _pdbx_poly_seq_scheme.auth_mon_id
85
+ _pdbx_poly_seq_scheme.pdb_strand_id
86
+ _pdbx_poly_seq_scheme.pdb_ins_code
87
+ _pdbx_poly_seq_scheme.hetero
88
+ A 1 1 VAL 1 1 1 VAL VAL A . n
89
+ A 1 2 SER 2 2 2 SER SER A . n
90
+ A 1 3 GLU 3 3 3 GLU GLU A . n
91
+ A 1 4 TRP 4 4 4 TRP TRP A . n
92
+ A 1 5 THR 5 5 5 THR THR A . n
93
+ A 1 6 GLU 6 6 6 GLU GLU A . n
94
+ A 1 7 ARG 7 7 7 ARG ARG A . n
95
+ A 1 8 LYS 8 8 8 LYS LYS A . n
96
+ A 1 9 THR 9 9 9 THR THR A . n
97
+ A 1 10 ALA 10 10 10 ALA ALA A . n
98
+ A 1 11 ASP 11 11 11 ASP ASP A . n
99
+ A 1 12 GLY 12 12 12 GLY GLY A . n
100
+ A 1 13 LYS 13 13 13 LYS LYS A . n
101
+ A 1 14 THR 14 14 14 THR THR A . n
102
+ A 1 15 TYR 15 15 15 TYR TYR A . n
103
+ A 1 16 TYR 16 16 16 TYR TYR A . n
104
+ A 1 17 TYR 17 17 17 TYR TYR A . n
105
+ A 1 18 ASN 18 18 18 ASN ASN A . n
106
+ A 1 19 ASN 19 19 19 ASN ASN A . n
107
+ A 1 20 ARG 20 20 20 ARG ARG A . n
108
+ A 1 21 THR 21 21 21 THR THR A . n
109
+ A 1 22 LEU 22 22 22 LEU LEU A . n
110
+ A 1 23 GLU 23 23 23 GLU GLU A . n
111
+ A 1 24 SER 24 24 24 SER SER A . n
112
+ A 1 25 THR 25 25 25 THR THR A . n
113
+ A 1 26 TRP 26 26 26 TRP TRP A . n
114
+ A 1 27 GLU 27 27 27 GLU GLU A . n
115
+ A 1 28 LYS 28 28 28 LYS LYS A . n
116
+ A 1 29 PRO 29 29 29 PRO PRO A . n
117
+ A 1 30 GLN 30 30 30 GLN GLN A . n
118
+ A 1 31 GLU 31 31 31 GLU GLU A . n
119
+ A 1 32 LEU 32 32 32 LEU LEU A . n
120
+ A 1 33 LYS 33 33 33 LYS LYS A . n
121
+ #
122
+ loop_
123
+ _chem_comp.id
124
+ _chem_comp.type
125
+ _chem_comp.mon_nstd_flag
126
+ _chem_comp.name
127
+ _chem_comp.pdbx_synonyms
128
+ _chem_comp.formula
129
+ _chem_comp.formula_weight
130
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
131
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
132
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
133
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
134
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
135
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
136
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
137
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
138
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
139
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
140
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
141
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
142
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
143
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
144
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
145
+ #
146
+ _struct_asym.id A
147
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
148
+ _struct_asym.pdbx_modified N
149
+ _struct_asym.entity_id 1
150
+ _struct_asym.details ?
151
+ #
152
+ _cell.entry_id 2MW9_A
153
+ _cell.length_a 1.000
154
+ _cell.length_b 1.000
155
+ _cell.length_c 1.000
156
+ _cell.angle_alpha 90.00
157
+ _cell.angle_beta 90.00
158
+ _cell.angle_gamma 90.00
159
+ _cell.Z_PDB 1
160
+ _cell.pdbx_unique_axis ?
161
+ #
162
+ _symmetry.entry_id 2MW9_A
163
+ _symmetry.space_group_name_H-M "P 1"
164
+ _symmetry.pdbx_full_space_group_name_H-M ?
165
+ _symmetry.cell_setting ?
166
+ _symmetry.Int_Tables_number ?
167
+ #
168
+ _atom_sites.entry_id 2MW9_A
169
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
170
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
171
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
172
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
173
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
174
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
175
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
176
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
177
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
178
+ _atom_sites.fract_transf_vector[1] 0.00000
179
+ _atom_sites.fract_transf_vector[2] 0.00000
180
+ _atom_sites.fract_transf_vector[3] 0.00000
181
+ #
182
+ _pdbx_validate_torsion.id 1
183
+ _pdbx_validate_torsion.PDB_model_num 1
184
+ _pdbx_validate_torsion.auth_comp_id LEU
185
+ _pdbx_validate_torsion.auth_asym_id A
186
+ _pdbx_validate_torsion.auth_seq_id 32
187
+ _pdbx_validate_torsion.PDB_ins_code ?
188
+ _pdbx_validate_torsion.label_alt_id ?
189
+ _pdbx_validate_torsion.phi -119.52
190
+ _pdbx_validate_torsion.psi -73.30
191
+ #
192
+ loop_
193
+ _atom_type.symbol
194
+ C
195
+ H
196
+ N
197
+ O
198
+ #
199
+ _entry.id 2MW9_A
200
+ #
201
+ loop_
202
+ _atom_site.group_PDB
203
+ _atom_site.id
204
+ _atom_site.type_symbol
205
+ _atom_site.label_atom_id
206
+ _atom_site.label_alt_id
207
+ _atom_site.label_comp_id
208
+ _atom_site.label_asym_id
209
+ _atom_site.label_entity_id
210
+ _atom_site.label_seq_id
211
+ _atom_site.pdbx_PDB_ins_code
212
+ _atom_site.Cartn_x
213
+ _atom_site.Cartn_y
214
+ _atom_site.Cartn_z
215
+ _atom_site.occupancy
216
+ _atom_site.B_iso_or_equiv
217
+ _atom_site.pdbx_formal_charge
218
+ _atom_site.auth_seq_id
219
+ _atom_site.auth_comp_id
220
+ _atom_site.auth_asym_id
221
+ _atom_site.auth_atom_id
222
+ _atom_site.pdbx_PDB_model_num
223
+ ATOM 1 N N . VAL A 1 1 ? 5.212 9.936 -8.967 1.00 15.00 ? 1 VAL A N 1
224
+ ATOM 2 C CA . VAL A 1 1 ? 4.486 8.736 -9.430 1.00 15.00 ? 1 VAL A CA 1
225
+ ATOM 3 C C . VAL A 1 1 ? 3.938 7.977 -8.227 1.00 15.00 ? 1 VAL A C 1
226
+ ATOM 4 O O . VAL A 1 1 ? 4.511 8.037 -7.138 1.00 15.00 ? 1 VAL A O 1
227
+ ATOM 5 C CB . VAL A 1 1 ? 5.413 7.812 -10.258 1.00 15.00 ? 1 VAL A CB 1
228
+ ATOM 6 C CG1 . VAL A 1 1 ? 4.656 6.608 -10.803 1.00 15.00 ? 1 VAL A CG1 1
229
+ ATOM 7 C CG2 . VAL A 1 1 ? 6.057 8.592 -11.394 1.00 15.00 ? 1 VAL A CG2 1
230
+ ATOM 8 H H1 . VAL A 1 1 ? 4.574 10.544 -8.411 1.00 15.00 ? 1 VAL A H1 1
231
+ ATOM 9 H HA . VAL A 1 1 ? 3.662 9.051 -10.054 1.00 15.00 ? 1 VAL A HA 1
232
+ ATOM 10 H HB . VAL A 1 1 ? 6.197 7.452 -9.609 1.00 15.00 ? 1 VAL A HB 1
233
+ ATOM 11 H HG11 . VAL A 1 1 ? 3.876 6.944 -11.469 1.00 15.00 ? 1 VAL A HG11 1
234
+ ATOM 12 H HG12 . VAL A 1 1 ? 4.217 6.056 -9.984 1.00 15.00 ? 1 VAL A HG12 1
235
+ ATOM 13 H HG13 . VAL A 1 1 ? 5.339 5.967 -11.343 1.00 15.00 ? 1 VAL A HG13 1
236
+ ATOM 14 H HG21 . VAL A 1 1 ? 6.689 7.933 -11.970 1.00 15.00 ? 1 VAL A HG21 1
237
+ ATOM 15 H HG22 . VAL A 1 1 ? 6.653 9.398 -10.987 1.00 15.00 ? 1 VAL A HG22 1
238
+ ATOM 16 H HG23 . VAL A 1 1 ? 5.287 9.001 -12.031 1.00 15.00 ? 1 VAL A HG23 1
239
+ ATOM 17 N N . SER A 1 2 ? 2.814 7.299 -8.407 1.00 15.00 ? 2 SER A N 1
240
+ ATOM 18 C CA . SER A 1 2 ? 2.226 6.517 -7.335 1.00 15.00 ? 2 SER A CA 1
241
+ ATOM 19 C C . SER A 1 2 ? 3.075 5.281 -7.029 1.00 15.00 ? 2 SER A C 1
242
+ ATOM 20 O O . SER A 1 2 ? 2.941 4.239 -7.671 1.00 15.00 ? 2 SER A O 1
243
+ ATOM 21 C CB . SER A 1 2 ? 0.787 6.124 -7.688 1.00 15.00 ? 2 SER A CB 1
244
+ ATOM 22 O OG . SER A 1 2 ? 0.678 5.761 -9.056 1.00 15.00 ? 2 SER A OG 1
245
+ ATOM 23 H H . SER A 1 2 ? 2.368 7.326 -9.283 1.00 15.00 ? 2 SER A H 1
246
+ ATOM 24 H HA . SER A 1 2 ? 2.206 7.141 -6.453 1.00 15.00 ? 2 SER A HA 1
247
+ ATOM 25 H HB2 . SER A 1 2 ? 0.486 5.284 -7.081 1.00 15.00 ? 2 SER A HB2 1
248
+ ATOM 26 H HB3 . SER A 1 2 ? 0.130 6.959 -7.497 1.00 15.00 ? 2 SER A HB3 1
249
+ ATOM 27 H HG . SER A 1 2 ? 0.626 6.567 -9.595 1.00 15.00 ? 2 SER A HG 1
250
+ ATOM 28 N N . GLU A 1 3 ? 3.972 5.423 -6.057 1.00 15.00 ? 3 GLU A N 1
251
+ ATOM 29 C CA . GLU A 1 3 ? 4.848 4.330 -5.643 1.00 15.00 ? 3 GLU A CA 1
252
+ ATOM 30 C C . GLU A 1 3 ? 4.122 3.373 -4.701 1.00 15.00 ? 3 GLU A C 1
253
+ ATOM 31 O O . GLU A 1 3 ? 4.753 2.648 -3.929 1.00 15.00 ? 3 GLU A O 1
254
+ ATOM 32 C CB . GLU A 1 3 ? 6.095 4.881 -4.945 1.00 15.00 ? 3 GLU A CB 1
255
+ ATOM 33 C CG . GLU A 1 3 ? 7.350 4.828 -5.802 1.00 15.00 ? 3 GLU A CG 1
256
+ ATOM 34 C CD . GLU A 1 3 ? 7.357 5.859 -6.913 1.00 15.00 ? 3 GLU A CD 1
257
+ ATOM 35 O OE1 . GLU A 1 3 ? 6.680 5.645 -7.934 1.00 15.00 ? 3 GLU A OE1 1
258
+ ATOM 36 O OE2 . GLU A 1 3 ? 8.062 6.882 -6.769 1.00 15.00 -1 3 GLU A OE2 1
259
+ ATOM 37 H H . GLU A 1 3 ? 4.068 6.297 -5.625 1.00 15.00 ? 3 GLU A H 1
260
+ ATOM 38 H HA . GLU A 1 3 ? 5.149 3.792 -6.528 1.00 15.00 ? 3 GLU A HA 1
261
+ ATOM 39 H HB2 . GLU A 1 3 ? 5.919 5.910 -4.663 1.00 15.00 ? 3 GLU A HB2 1
262
+ ATOM 40 H HB3 . GLU A 1 3 ? 6.274 4.301 -4.053 1.00 15.00 ? 3 GLU A HB3 1
263
+ ATOM 41 H HG2 . GLU A 1 3 ? 8.207 5.000 -5.169 1.00 15.00 ? 3 GLU A HG2 1
264
+ ATOM 42 H HG3 . GLU A 1 3 ? 7.423 3.845 -6.242 1.00 15.00 ? 3 GLU A HG3 1
265
+ ATOM 43 N N . TRP A 1 4 ? 2.802 3.337 -4.802 1.00 15.00 ? 4 TRP A N 1
266
+ ATOM 44 C CA . TRP A 1 4 ? 2.001 2.483 -3.944 1.00 15.00 ? 4 TRP A CA 1
267
+ ATOM 45 C C . TRP A 1 4 ? 1.816 1.118 -4.589 1.00 15.00 ? 4 TRP A C 1
268
+ ATOM 46 O O . TRP A 1 4 ? 1.070 0.967 -5.556 1.00 15.00 ? 4 TRP A O 1
269
+ ATOM 47 C CB . TRP A 1 4 ? 0.630 3.110 -3.659 1.00 15.00 ? 4 TRP A CB 1
270
+ ATOM 48 C CG . TRP A 1 4 ? 0.696 4.367 -2.845 1.00 15.00 ? 4 TRP A CG 1
271
+ ATOM 49 C CD1 . TRP A 1 4 ? 0.601 5.649 -3.303 1.00 15.00 ? 4 TRP A CD1 1
272
+ ATOM 50 C CD2 . TRP A 1 4 ? 0.862 4.459 -1.425 1.00 15.00 ? 4 TRP A CD2 1
273
+ ATOM 51 N NE1 . TRP A 1 4 ? 0.711 6.532 -2.258 1.00 15.00 ? 4 TRP A NE1 1
274
+ ATOM 52 C CE2 . TRP A 1 4 ? 0.870 5.827 -1.094 1.00 15.00 ? 4 TRP A CE2 1
275
+ ATOM 53 C CE3 . TRP A 1 4 ? 1.006 3.518 -0.402 1.00 15.00 ? 4 TRP A CE3 1
276
+ ATOM 54 C CZ2 . TRP A 1 4 ? 1.020 6.276 0.216 1.00 15.00 ? 4 TRP A CZ2 1
277
+ ATOM 55 C CZ3 . TRP A 1 4 ? 1.152 3.964 0.897 1.00 15.00 ? 4 TRP A CZ3 1
278
+ ATOM 56 C CH2 . TRP A 1 4 ? 1.158 5.332 1.196 1.00 15.00 ? 4 TRP A CH2 1
279
+ ATOM 57 H H . TRP A 1 4 ? 2.361 3.886 -5.481 1.00 15.00 ? 4 TRP A H 1
280
+ ATOM 58 H HA . TRP A 1 4 ? 2.532 2.359 -3.013 1.00 15.00 ? 4 TRP A HA 1
281
+ ATOM 59 H HB2 . TRP A 1 4 ? 0.151 3.348 -4.596 1.00 15.00 ? 4 TRP A HB2 1
282
+ ATOM 60 H HB3 . TRP A 1 4 ? 0.023 2.396 -3.122 1.00 15.00 ? 4 TRP A HB3 1
283
+ ATOM 61 H HD1 . TRP A 1 4 ? 0.465 5.917 -4.338 1.00 15.00 ? 4 TRP A HD1 1
284
+ ATOM 62 H HE1 . TRP A 1 4 ? 0.676 7.519 -2.334 1.00 15.00 ? 4 TRP A HE1 1
285
+ ATOM 63 H HE3 . TRP A 1 4 ? 1.002 2.459 -0.613 1.00 15.00 ? 4 TRP A HE3 1
286
+ ATOM 64 H HZ2 . TRP A 1 4 ? 1.025 7.329 0.463 1.00 15.00 ? 4 TRP A HZ2 1
287
+ ATOM 65 H HZ3 . TRP A 1 4 ? 1.265 3.252 1.701 1.00 15.00 ? 4 TRP A HZ3 1
288
+ ATOM 66 H HH2 . TRP A 1 4 ? 1.276 5.635 2.226 1.00 15.00 ? 4 TRP A HH2 1
289
+ ATOM 67 N N . THR A 1 5 ? 2.544 0.144 -4.074 1.00 15.00 ? 5 THR A N 1
290
+ ATOM 68 C CA . THR A 1 5 ? 2.438 -1.225 -4.531 1.00 15.00 ? 5 THR A CA 1
291
+ ATOM 69 C C . THR A 1 5 ? 1.624 -2.037 -3.534 1.00 15.00 ? 5 THR A C 1
292
+ ATOM 70 O O . THR A 1 5 ? 1.939 -2.074 -2.343 1.00 15.00 ? 5 THR A O 1
293
+ ATOM 71 C CB . THR A 1 5 ? 3.830 -1.868 -4.722 1.00 15.00 ? 5 THR A CB 1
294
+ ATOM 72 O OG1 . THR A 1 5 ? 4.615 -1.737 -3.528 1.00 15.00 ? 5 THR A OG1 1
295
+ ATOM 73 C CG2 . THR A 1 5 ? 4.564 -1.220 -5.886 1.00 15.00 ? 5 THR A CG2 1
296
+ ATOM 74 H H . THR A 1 5 ? 3.177 0.353 -3.348 1.00 15.00 ? 5 THR A H 1
297
+ ATOM 75 H HA . THR A 1 5 ? 1.929 -1.223 -5.484 1.00 15.00 ? 5 THR A HA 1
298
+ ATOM 76 H HB . THR A 1 5 ? 3.696 -2.918 -4.943 1.00 15.00 ? 5 THR A HB 1
299
+ ATOM 77 H HG1 . THR A 1 5 ? 4.090 -1.315 -2.839 1.00 15.00 ? 5 THR A HG1 1
300
+ ATOM 78 H HG21 . THR A 1 5 ? 5.528 -1.690 -6.012 1.00 15.00 ? 5 THR A HG21 1
301
+ ATOM 79 H HG22 . THR A 1 5 ? 4.699 -0.168 -5.684 1.00 15.00 ? 5 THR A HG22 1
302
+ ATOM 80 H HG23 . THR A 1 5 ? 3.983 -1.341 -6.788 1.00 15.00 ? 5 THR A HG23 1
303
+ ATOM 81 N N . GLU A 1 6 ? 0.561 -2.653 -4.013 1.00 15.00 ? 6 GLU A N 1
304
+ ATOM 82 C CA . GLU A 1 6 ? -0.311 -3.436 -3.155 1.00 15.00 ? 6 GLU A CA 1
305
+ ATOM 83 C C . GLU A 1 6 ? 0.149 -4.885 -3.099 1.00 15.00 ? 6 GLU A C 1
306
+ ATOM 84 O O . GLU A 1 6 ? 0.151 -5.599 -4.106 1.00 15.00 ? 6 GLU A O 1
307
+ ATOM 85 C CB . GLU A 1 6 ? -1.750 -3.353 -3.652 1.00 15.00 ? 6 GLU A CB 1
308
+ ATOM 86 C CG . GLU A 1 6 ? -1.883 -3.682 -5.120 1.00 15.00 ? 6 GLU A CG 1
309
+ ATOM 87 C CD . GLU A 1 6 ? -3.271 -3.422 -5.654 1.00 15.00 ? 6 GLU A CD 1
310
+ ATOM 88 O OE1 . GLU A 1 6 ? -3.573 -2.261 -5.989 1.00 15.00 ? 6 GLU A OE1 1
311
+ ATOM 89 O OE2 . GLU A 1 6 ? -4.065 -4.380 -5.741 1.00 15.00 -1 6 GLU A OE2 1
312
+ ATOM 90 H H . GLU A 1 6 ? 0.359 -2.588 -4.969 1.00 15.00 ? 6 GLU A H 1
313
+ ATOM 91 H HA . GLU A 1 6 ? -0.259 -3.016 -2.161 1.00 15.00 ? 6 GLU A HA 1
314
+ ATOM 92 H HB2 . GLU A 1 6 ? -2.356 -4.049 -3.089 1.00 15.00 ? 6 GLU A HB2 1
315
+ ATOM 93 H HB3 . GLU A 1 6 ? -2.120 -2.352 -3.492 1.00 15.00 ? 6 GLU A HB3 1
316
+ ATOM 94 H HG2 . GLU A 1 6 ? -1.176 -3.082 -5.664 1.00 15.00 ? 6 GLU A HG2 1
317
+ ATOM 95 H HG3 . GLU A 1 6 ? -1.648 -4.727 -5.262 1.00 15.00 ? 6 GLU A HG3 1
318
+ ATOM 96 N N . ARG A 1 7 ? 0.551 -5.304 -1.920 1.00 15.00 ? 7 ARG A N 1
319
+ ATOM 97 C CA . ARG A 1 7 ? 0.967 -6.677 -1.704 1.00 15.00 ? 7 ARG A CA 1
320
+ ATOM 98 C C . ARG A 1 7 ? -0.149 -7.448 -1.021 1.00 15.00 ? 7 ARG A C 1
321
+ ATOM 99 O O . ARG A 1 7 ? -0.504 -7.169 0.126 1.00 15.00 ? 7 ARG A O 1
322
+ ATOM 100 C CB . ARG A 1 7 ? 2.244 -6.741 -0.865 1.00 15.00 ? 7 ARG A CB 1
323
+ ATOM 101 C CG . ARG A 1 7 ? 2.754 -8.157 -0.647 1.00 15.00 ? 7 ARG A CG 1
324
+ ATOM 102 C CD . ARG A 1 7 ? 4.032 -8.160 0.167 1.00 15.00 ? 7 ARG A CD 1
325
+ ATOM 103 N NE . ARG A 1 7 ? 4.546 -9.511 0.395 1.00 15.00 ? 7 ARG A NE 1
326
+ ATOM 104 C CZ . ARG A 1 7 ? 5.686 -9.763 1.037 1.00 15.00 ? 7 ARG A CZ 1
327
+ ATOM 105 N NH1 . ARG A 1 7 ? 6.406 -8.762 1.525 1.00 15.00 1 7 ARG A NH1 1
328
+ ATOM 106 N NH2 . ARG A 1 7 ? 6.103 -11.008 1.196 1.00 15.00 ? 7 ARG A NH2 1
329
+ ATOM 107 H H . ARG A 1 7 ? 0.555 -4.673 -1.170 1.00 15.00 ? 7 ARG A H 1
330
+ ATOM 108 H HA . ARG A 1 7 ? 1.156 -7.123 -2.670 1.00 15.00 ? 7 ARG A HA 1
331
+ ATOM 109 H HB2 . ARG A 1 7 ? 3.018 -6.174 -1.363 1.00 15.00 ? 7 ARG A HB2 1
332
+ ATOM 110 H HB3 . ARG A 1 7 ? 2.050 -6.298 0.101 1.00 15.00 ? 7 ARG A HB3 1
333
+ ATOM 111 H HG2 . ARG A 1 7 ? 2.001 -8.723 -0.119 1.00 15.00 ? 7 ARG A HG2 1
334
+ ATOM 112 H HG3 . ARG A 1 7 ? 2.945 -8.615 -1.607 1.00 15.00 ? 7 ARG A HG3 1
335
+ ATOM 113 H HD2 . ARG A 1 7 ? 4.780 -7.587 -0.362 1.00 15.00 ? 7 ARG A HD2 1
336
+ ATOM 114 H HD3 . ARG A 1 7 ? 3.835 -7.695 1.121 1.00 15.00 ? 7 ARG A HD3 1
337
+ ATOM 115 H HE . ARG A 1 7 ? 4.015 -10.267 0.045 1.00 15.00 ? 7 ARG A HE 1
338
+ ATOM 116 H HH11 . ARG A 1 7 ? 6.094 -7.818 1.414 1.00 15.00 ? 7 ARG A HH11 1
339
+ ATOM 117 H HH12 . ARG A 1 7 ? 7.274 -8.948 2.009 1.00 15.00 ? 7 ARG A HH12 1
340
+ ATOM 118 H HH21 . ARG A 1 7 ? 5.564 -11.777 0.836 1.00 15.00 ? 7 ARG A HH21 1
341
+ ATOM 119 H HH22 . ARG A 1 7 ? 6.972 -11.194 1.678 1.00 15.00 ? 7 ARG A HH22 1
342
+ ATOM 120 N N . LYS A 1 8 ? -0.715 -8.397 -1.743 1.00 15.00 ? 8 LYS A N 1
343
+ ATOM 121 C CA . LYS A 1 8 ? -1.801 -9.202 -1.222 1.00 15.00 ? 8 LYS A CA 1
344
+ ATOM 122 C C . LYS A 1 8 ? -1.236 -10.459 -0.585 1.00 15.00 ? 8 LYS A C 1
345
+ ATOM 123 O O . LYS A 1 8 ? -0.781 -11.368 -1.279 1.00 15.00 ? 8 LYS A O 1
346
+ ATOM 124 C CB . LYS A 1 8 ? -2.781 -9.545 -2.348 1.00 15.00 ? 8 LYS A CB 1
347
+ ATOM 125 C CG . LYS A 1 8 ? -3.108 -8.348 -3.224 1.00 15.00 ? 8 LYS A CG 1
348
+ ATOM 126 C CD . LYS A 1 8 ? -4.111 -8.680 -4.315 1.00 15.00 ? 8 LYS A CD 1
349
+ ATOM 127 C CE . LYS A 1 8 ? -4.242 -7.520 -5.286 1.00 15.00 ? 8 LYS A CE 1
350
+ ATOM 128 N NZ . LYS A 1 8 ? -5.301 -7.738 -6.303 1.00 15.00 1 8 LYS A NZ 1
351
+ ATOM 129 H H . LYS A 1 8 ? -0.389 -8.565 -2.651 1.00 15.00 ? 8 LYS A H 1
352
+ ATOM 130 H HA . LYS A 1 8 ? -2.312 -8.625 -0.467 1.00 15.00 ? 8 LYS A HA 1
353
+ ATOM 131 H HB2 . LYS A 1 8 ? -2.349 -10.317 -2.969 1.00 15.00 ? 8 LYS A HB2 1
354
+ ATOM 132 H HB3 . LYS A 1 8 ? -3.701 -9.911 -1.915 1.00 15.00 ? 8 LYS A HB3 1
355
+ ATOM 133 H HG2 . LYS A 1 8 ? -3.519 -7.567 -2.604 1.00 15.00 ? 8 LYS A HG2 1
356
+ ATOM 134 H HG3 . LYS A 1 8 ? -2.195 -7.996 -3.685 1.00 15.00 ? 8 LYS A HG3 1
357
+ ATOM 135 H HD2 . LYS A 1 8 ? -3.774 -9.555 -4.851 1.00 15.00 ? 8 LYS A HD2 1
358
+ ATOM 136 H HD3 . LYS A 1 8 ? -5.072 -8.874 -3.864 1.00 15.00 ? 8 LYS A HD3 1
359
+ ATOM 137 H HE2 . LYS A 1 8 ? -4.477 -6.628 -4.727 1.00 15.00 ? 8 LYS A HE2 1
360
+ ATOM 138 H HE3 . LYS A 1 8 ? -3.295 -7.385 -5.790 1.00 15.00 ? 8 LYS A HE3 1
361
+ ATOM 139 H HZ1 . LYS A 1 8 ? -5.167 -8.656 -6.782 1.00 15.00 ? 8 LYS A HZ1 1
362
+ ATOM 140 H HZ2 . LYS A 1 8 ? -5.263 -6.981 -7.021 1.00 15.00 ? 8 LYS A HZ2 1
363
+ ATOM 141 H HZ3 . LYS A 1 8 ? -6.242 -7.722 -5.854 1.00 15.00 ? 8 LYS A HZ3 1
364
+ ATOM 142 N N . THR A 1 9 ? -1.220 -10.489 0.737 1.00 15.00 ? 9 THR A N 1
365
+ ATOM 143 C CA . THR A 1 9 ? -0.606 -11.590 1.451 1.00 15.00 ? 9 THR A CA 1
366
+ ATOM 144 C C . THR A 1 9 ? -1.622 -12.694 1.718 1.00 15.00 ? 9 THR A C 1
367
+ ATOM 145 O O . THR A 1 9 ? -2.818 -12.427 1.893 1.00 15.00 ? 9 THR A O 1
368
+ ATOM 146 C CB . THR A 1 9 ? 0.040 -11.119 2.776 1.00 15.00 ? 9 THR A CB 1
369
+ ATOM 147 O OG1 . THR A 1 9 ? 0.727 -12.205 3.406 1.00 15.00 ? 9 THR A OG1 1
370
+ ATOM 148 C CG2 . THR A 1 9 ? -0.998 -10.550 3.734 1.00 15.00 ? 9 THR A CG2 1
371
+ ATOM 149 H H . THR A 1 9 ? -1.645 -9.760 1.242 1.00 15.00 ? 9 THR A H 1
372
+ ATOM 150 H HA . THR A 1 9 ? 0.177 -11.989 0.821 1.00 15.00 ? 9 THR A HA 1
373
+ ATOM 151 H HB . THR A 1 9 ? 0.755 -10.342 2.547 1.00 15.00 ? 9 THR A HB 1
374
+ ATOM 152 H HG1 . THR A 1 9 ? 1.507 -11.861 3.868 1.00 15.00 ? 9 THR A HG1 1
375
+ ATOM 153 H HG21 . THR A 1 9 ? -0.512 -10.232 4.644 1.00 15.00 ? 9 THR A HG21 1
376
+ ATOM 154 H HG22 . THR A 1 9 ? -1.732 -11.309 3.964 1.00 15.00 ? 9 THR A HG22 1
377
+ ATOM 155 H HG23 . THR A 1 9 ? -1.487 -9.706 3.273 1.00 15.00 ? 9 THR A HG23 1
378
+ ATOM 156 N N . ALA A 1 10 ? -1.134 -13.934 1.760 1.00 15.00 ? 10 ALA A N 1
379
+ ATOM 157 C CA . ALA A 1 10 ? -1.987 -15.105 1.944 1.00 15.00 ? 10 ALA A CA 1
380
+ ATOM 158 C C . ALA A 1 10 ? -2.652 -15.093 3.314 1.00 15.00 ? 10 ALA A C 1
381
+ ATOM 159 O O . ALA A 1 10 ? -3.581 -15.857 3.572 1.00 15.00 ? 10 ALA A O 1
382
+ ATOM 160 C CB . ALA A 1 10 ? -1.182 -16.380 1.754 1.00 15.00 ? 10 ALA A CB 1
383
+ ATOM 161 H H . ALA A 1 10 ? -0.164 -14.063 1.674 1.00 15.00 ? 10 ALA A H 1
384
+ ATOM 162 H HA . ALA A 1 10 ? -2.755 -15.078 1.186 1.00 15.00 ? 10 ALA A HA 1
385
+ ATOM 163 H HB1 . ALA A 1 10 ? -0.422 -16.444 2.519 1.00 15.00 ? 10 ALA A HB1 1
386
+ ATOM 164 H HB2 . ALA A 1 10 ? -0.713 -16.366 0.781 1.00 15.00 ? 10 ALA A HB2 1
387
+ ATOM 165 H HB3 . ALA A 1 10 ? -1.838 -17.234 1.826 1.00 15.00 ? 10 ALA A HB3 1
388
+ ATOM 166 N N . ASP A 1 11 ? -2.173 -14.205 4.181 1.00 15.00 ? 11 ASP A N 1
389
+ ATOM 167 C CA . ASP A 1 11 ? -2.771 -13.995 5.496 1.00 15.00 ? 11 ASP A CA 1
390
+ ATOM 168 C C . ASP A 1 11 ? -4.193 -13.442 5.349 1.00 15.00 ? 11 ASP A C 1
391
+ ATOM 169 O O . ASP A 1 11 ? -4.965 -13.403 6.306 1.00 15.00 ? 11 ASP A O 1
392
+ ATOM 170 C CB . ASP A 1 11 ? -1.892 -13.039 6.317 1.00 15.00 ? 11 ASP A CB 1
393
+ ATOM 171 C CG . ASP A 1 11 ? -2.421 -12.768 7.712 1.00 15.00 ? 11 ASP A CG 1
394
+ ATOM 172 O OD1 . ASP A 1 11 ? -2.382 -13.680 8.561 1.00 15.00 -1 11 ASP A OD1 1
395
+ ATOM 173 O OD2 . ASP A 1 11 ? -2.860 -11.630 7.975 1.00 15.00 -1 11 ASP A OD2 1
396
+ ATOM 174 H H . ASP A 1 11 ? -1.386 -13.675 3.929 1.00 15.00 ? 11 ASP A H 1
397
+ ATOM 175 H HA . ASP A 1 11 ? -2.817 -14.952 5.996 1.00 15.00 ? 11 ASP A HA 1
398
+ ATOM 176 H HB2 . ASP A 1 11 ? -0.904 -13.464 6.410 1.00 15.00 ? 11 ASP A HB2 1
399
+ ATOM 177 H HB3 . ASP A 1 11 ? -1.821 -12.097 5.793 1.00 15.00 ? 11 ASP A HB3 1
400
+ ATOM 178 N N . GLY A 1 12 ? -4.527 -13.013 4.133 1.00 15.00 ? 12 GLY A N 1
401
+ ATOM 179 C CA . GLY A 1 12 ? -5.866 -12.538 3.843 1.00 15.00 ? 12 GLY A CA 1
402
+ ATOM 180 C C . GLY A 1 12 ? -5.965 -11.033 3.920 1.00 15.00 ? 12 GLY A C 1
403
+ ATOM 181 O O . GLY A 1 12 ? -7.038 -10.486 4.177 1.00 15.00 ? 12 GLY A O 1
404
+ ATOM 182 H H . GLY A 1 12 ? -3.849 -13.022 3.420 1.00 15.00 ? 12 GLY A H 1
405
+ ATOM 183 H HA2 . GLY A 1 12 ? -6.144 -12.857 2.848 1.00 15.00 ? 12 GLY A HA2 1
406
+ ATOM 184 H HA3 . GLY A 1 12 ? -6.554 -12.971 4.554 1.00 15.00 ? 12 GLY A HA3 1
407
+ ATOM 185 N N . LYS A 1 13 ? -4.849 -10.359 3.684 1.00 15.00 ? 13 LYS A N 1
408
+ ATOM 186 C CA . LYS A 1 13 ? -4.799 -8.909 3.807 1.00 15.00 ? 13 LYS A CA 1
409
+ ATOM 187 C C . LYS A 1 13 ? -4.036 -8.292 2.644 1.00 15.00 ? 13 LYS A C 1
410
+ ATOM 188 O O . LYS A 1 13 ? -3.014 -8.821 2.205 1.00 15.00 ? 13 LYS A O 1
411
+ ATOM 189 C CB . LYS A 1 13 ? -4.132 -8.506 5.126 1.00 15.00 ? 13 LYS A CB 1
412
+ ATOM 190 C CG . LYS A 1 13 ? -4.872 -8.979 6.368 1.00 15.00 ? 13 LYS A CG 1
413
+ ATOM 191 C CD . LYS A 1 13 ? -4.155 -8.551 7.641 1.00 15.00 ? 13 LYS A CD 1
414
+ ATOM 192 C CE . LYS A 1 13 ? -4.895 -9.007 8.890 1.00 15.00 ? 13 LYS A CE 1
415
+ ATOM 193 N NZ . LYS A 1 13 ? -5.027 -10.487 8.953 1.00 15.00 1 13 LYS A NZ 1
416
+ ATOM 194 H H . LYS A 1 13 ? -4.042 -10.845 3.403 1.00 15.00 ? 13 LYS A H 1
417
+ ATOM 195 H HA . LYS A 1 13 ? -5.814 -8.538 3.797 1.00 15.00 ? 13 LYS A HA 1
418
+ ATOM 196 H HB2 . LYS A 1 13 ? -3.137 -8.919 5.147 1.00 15.00 ? 13 LYS A HB2 1
419
+ ATOM 197 H HB3 . LYS A 1 13 ? -4.063 -7.428 5.163 1.00 15.00 ? 13 LYS A HB3 1
420
+ ATOM 198 H HG2 . LYS A 1 13 ? -5.866 -8.558 6.366 1.00 15.00 ? 13 LYS A HG2 1
421
+ ATOM 199 H HG3 . LYS A 1 13 ? -4.937 -10.057 6.347 1.00 15.00 ? 13 LYS A HG3 1
422
+ ATOM 200 H HD2 . LYS A 1 13 ? -3.165 -8.981 7.646 1.00 15.00 ? 13 LYS A HD2 1
423
+ ATOM 201 H HD3 . LYS A 1 13 ? -4.079 -7.474 7.653 1.00 15.00 ? 13 LYS A HD3 1
424
+ ATOM 202 H HE2 . LYS A 1 13 ? -4.350 -8.668 9.759 1.00 15.00 ? 13 LYS A HE2 1
425
+ ATOM 203 H HE3 . LYS A 1 13 ? -5.881 -8.566 8.891 1.00 15.00 ? 13 LYS A HE3 1
426
+ ATOM 204 H HZ1 . LYS A 1 13 ? -5.349 -10.781 9.903 1.00 15.00 ? 13 LYS A HZ1 1
427
+ ATOM 205 H HZ2 . LYS A 1 13 ? -4.109 -10.943 8.749 1.00 15.00 ? 13 LYS A HZ2 1
428
+ ATOM 206 H HZ3 . LYS A 1 13 ? -5.724 -10.816 8.251 1.00 15.00 ? 13 LYS A HZ3 1
429
+ ATOM 207 N N . THR A 1 14 ? -4.532 -7.170 2.158 1.00 15.00 ? 14 THR A N 1
430
+ ATOM 208 C CA . THR A 1 14 ? -3.865 -6.433 1.103 1.00 15.00 ? 14 THR A CA 1
431
+ ATOM 209 C C . THR A 1 14 ? -3.412 -5.074 1.624 1.00 15.00 ? 14 THR A C 1
432
+ ATOM 210 O O . THR A 1 14 ? -4.213 -4.148 1.750 1.00 15.00 ? 14 THR A O 1
433
+ ATOM 211 C CB . THR A 1 14 ? -4.792 -6.239 -0.113 1.00 15.00 ? 14 THR A CB 1
434
+ ATOM 212 O OG1 . THR A 1 14 ? -5.288 -7.514 -0.546 1.00 15.00 ? 14 THR A OG1 1
435
+ ATOM 213 C CG2 . THR A 1 14 ? -4.058 -5.556 -1.260 1.00 15.00 ? 14 THR A CG2 1
436
+ ATOM 214 H H . THR A 1 14 ? -5.373 -6.817 2.529 1.00 15.00 ? 14 THR A H 1
437
+ ATOM 215 H HA . THR A 1 14 ? -3.000 -7.000 0.789 1.00 15.00 ? 14 THR A HA 1
438
+ ATOM 216 H HB . THR A 1 14 ? -5.625 -5.618 0.185 1.00 15.00 ? 14 THR A HB 1
439
+ ATOM 217 H HG1 . THR A 1 14 ? -5.376 -8.093 0.217 1.00 15.00 ? 14 THR A HG1 1
440
+ ATOM 218 H HG21 . THR A 1 14 ? -3.702 -4.589 -0.935 1.00 15.00 ? 14 THR A HG21 1
441
+ ATOM 219 H HG22 . THR A 1 14 ? -4.733 -5.428 -2.094 1.00 15.00 ? 14 THR A HG22 1
442
+ ATOM 220 H HG23 . THR A 1 14 ? -3.219 -6.165 -1.565 1.00 15.00 ? 14 THR A HG23 1
443
+ ATOM 221 N N . TYR A 1 15 ? -2.135 -4.968 1.957 1.00 15.00 ? 15 TYR A N 1
444
+ ATOM 222 C CA . TYR A 1 15 ? -1.599 -3.721 2.477 1.00 15.00 ? 15 TYR A CA 1
445
+ ATOM 223 C C . TYR A 1 15 ? -0.850 -2.983 1.379 1.00 15.00 ? 15 TYR A C 1
446
+ ATOM 224 O O . TYR A 1 15 ? -0.121 -3.587 0.585 1.00 15.00 ? 15 TYR A O 1
447
+ ATOM 225 C CB . TYR A 1 15 ? -0.694 -3.971 3.695 1.00 15.00 ? 15 TYR A CB 1
448
+ ATOM 226 C CG . TYR A 1 15 ? 0.655 -4.587 3.388 1.00 15.00 ? 15 TYR A CG 1
449
+ ATOM 227 C CD1 . TYR A 1 15 ? 0.790 -5.947 3.130 1.00 15.00 ? 15 TYR A CD1 1
450
+ ATOM 228 C CD2 . TYR A 1 15 ? 1.801 -3.801 3.382 1.00 15.00 ? 15 TYR A CD2 1
451
+ ATOM 229 C CE1 . TYR A 1 15 ? 2.031 -6.502 2.872 1.00 15.00 ? 15 TYR A CE1 1
452
+ ATOM 230 C CE2 . TYR A 1 15 ? 3.040 -4.348 3.121 1.00 15.00 ? 15 TYR A CE2 1
453
+ ATOM 231 C CZ . TYR A 1 15 ? 3.152 -5.696 2.868 1.00 15.00 ? 15 TYR A CZ 1
454
+ ATOM 232 O OH . TYR A 1 15 ? 4.391 -6.243 2.618 1.00 15.00 ? 15 TYR A OH 1
455
+ ATOM 233 H H . TYR A 1 15 ? -1.539 -5.736 1.837 1.00 15.00 ? 15 TYR A H 1
456
+ ATOM 234 H HA . TYR A 1 15 ? -2.436 -3.112 2.785 1.00 15.00 ? 15 TYR A HA 1
457
+ ATOM 235 H HB2 . TYR A 1 15 ? -0.514 -3.030 4.191 1.00 15.00 ? 15 TYR A HB2 1
458
+ ATOM 236 H HB3 . TYR A 1 15 ? -1.210 -4.631 4.379 1.00 15.00 ? 15 TYR A HB3 1
459
+ ATOM 237 H HD1 . TYR A 1 15 ? -0.090 -6.573 3.130 1.00 15.00 ? 15 TYR A HD1 1
460
+ ATOM 238 H HD2 . TYR A 1 15 ? 1.711 -2.744 3.581 1.00 15.00 ? 15 TYR A HD2 1
461
+ ATOM 239 H HE1 . TYR A 1 15 ? 2.118 -7.561 2.672 1.00 15.00 ? 15 TYR A HE1 1
462
+ ATOM 240 H HE2 . TYR A 1 15 ? 3.917 -3.718 3.117 1.00 15.00 ? 15 TYR A HE2 1
463
+ ATOM 241 H HH . TYR A 1 15 ? 5.002 -5.988 3.328 1.00 15.00 ? 15 TYR A HH 1
464
+ ATOM 242 N N . TYR A 1 16 ? -1.027 -1.677 1.342 1.00 15.00 ? 16 TYR A N 1
465
+ ATOM 243 C CA . TYR A 1 16 ? -0.430 -0.863 0.305 1.00 15.00 ? 16 TYR A CA 1
466
+ ATOM 244 C C . TYR A 1 16 ? 0.900 -0.301 0.778 1.00 15.00 ? 16 TYR A C 1
467
+ ATOM 245 O O . TYR A 1 16 ? 0.964 0.469 1.740 1.00 15.00 ? 16 TYR A O 1
468
+ ATOM 246 C CB . TYR A 1 16 ? -1.397 0.249 -0.106 1.00 15.00 ? 16 TYR A CB 1
469
+ ATOM 247 C CG . TYR A 1 16 ? -2.710 -0.284 -0.642 1.00 15.00 ? 16 TYR A CG 1
470
+ ATOM 248 C CD1 . TYR A 1 16 ? -3.754 -0.616 0.216 1.00 15.00 ? 16 TYR A CD1 1
471
+ ATOM 249 C CD2 . TYR A 1 16 ? -2.903 -0.465 -2.005 1.00 15.00 ? 16 TYR A CD2 1
472
+ ATOM 250 C CE1 . TYR A 1 16 ? -4.950 -1.110 -0.272 1.00 15.00 ? 16 TYR A CE1 1
473
+ ATOM 251 C CE2 . TYR A 1 16 ? -4.097 -0.958 -2.499 1.00 15.00 ? 16 TYR A CE2 1
474
+ ATOM 252 C CZ . TYR A 1 16 ? -5.116 -1.278 -1.629 1.00 15.00 ? 16 TYR A CZ 1
475
+ ATOM 253 O OH . TYR A 1 16 ? -6.307 -1.766 -2.117 1.00 15.00 ? 16 TYR A OH 1
476
+ ATOM 254 H H . TYR A 1 16 ? -1.562 -1.245 2.044 1.00 15.00 ? 16 TYR A H 1
477
+ ATOM 255 H HA . TYR A 1 16 ? -0.250 -1.501 -0.547 1.00 15.00 ? 16 TYR A HA 1
478
+ ATOM 256 H HB2 . TYR A 1 16 ? -1.611 0.869 0.751 1.00 15.00 ? 16 TYR A HB2 1
479
+ ATOM 257 H HB3 . TYR A 1 16 ? -0.940 0.850 -0.879 1.00 15.00 ? 16 TYR A HB3 1
480
+ ATOM 258 H HD1 . TYR A 1 16 ? -3.624 -0.483 1.279 1.00 15.00 ? 16 TYR A HD1 1
481
+ ATOM 259 H HD2 . TYR A 1 16 ? -2.104 -0.212 -2.687 1.00 15.00 ? 16 TYR A HD2 1
482
+ ATOM 260 H HE1 . TYR A 1 16 ? -5.749 -1.361 0.410 1.00 15.00 ? 16 TYR A HE1 1
483
+ ATOM 261 H HE2 . TYR A 1 16 ? -4.226 -1.093 -3.563 1.00 15.00 ? 16 TYR A HE2 1
484
+ ATOM 262 H HH . TYR A 1 16 ? -6.135 -2.350 -2.870 1.00 15.00 ? 16 TYR A HH 1
485
+ ATOM 263 N N . TYR A 1 17 ? 1.958 -0.715 0.103 1.00 15.00 ? 17 TYR A N 1
486
+ ATOM 264 C CA . TYR A 1 17 ? 3.309 -0.350 0.484 1.00 15.00 ? 17 TYR A CA 1
487
+ ATOM 265 C C . TYR A 1 17 ? 3.883 0.648 -0.510 1.00 15.00 ? 17 TYR A C 1
488
+ ATOM 266 O O . TYR A 1 17 ? 3.986 0.362 -1.698 1.00 15.00 ? 17 TYR A O 1
489
+ ATOM 267 C CB . TYR A 1 17 ? 4.178 -1.610 0.539 1.00 15.00 ? 17 TYR A CB 1
490
+ ATOM 268 C CG . TYR A 1 17 ? 5.578 -1.392 1.066 1.00 15.00 ? 17 TYR A CG 1
491
+ ATOM 269 C CD1 . TYR A 1 17 ? 5.835 -1.423 2.430 1.00 15.00 ? 17 TYR A CD1 1
492
+ ATOM 270 C CD2 . TYR A 1 17 ? 6.646 -1.183 0.201 1.00 15.00 ? 17 TYR A CD2 1
493
+ ATOM 271 C CE1 . TYR A 1 17 ? 7.114 -1.243 2.919 1.00 15.00 ? 17 TYR A CE1 1
494
+ ATOM 272 C CE2 . TYR A 1 17 ? 7.928 -1.007 0.682 1.00 15.00 ? 17 TYR A CE2 1
495
+ ATOM 273 C CZ . TYR A 1 17 ? 8.156 -1.039 2.042 1.00 15.00 ? 17 TYR A CZ 1
496
+ ATOM 274 O OH . TYR A 1 17 ? 9.434 -0.876 2.527 1.00 15.00 ? 17 TYR A OH 1
497
+ ATOM 275 H H . TYR A 1 17 ? 1.827 -1.288 -0.687 1.00 15.00 ? 17 TYR A H 1
498
+ ATOM 276 H HA . TYR A 1 17 ? 3.274 0.104 1.463 1.00 15.00 ? 17 TYR A HA 1
499
+ ATOM 277 H HB2 . TYR A 1 17 ? 3.700 -2.338 1.175 1.00 15.00 ? 17 TYR A HB2 1
500
+ ATOM 278 H HB3 . TYR A 1 17 ? 4.262 -2.019 -0.459 1.00 15.00 ? 17 TYR A HB3 1
501
+ ATOM 279 H HD1 . TYR A 1 17 ? 5.015 -1.584 3.115 1.00 15.00 ? 17 TYR A HD1 1
502
+ ATOM 280 H HD2 . TYR A 1 17 ? 6.461 -1.156 -0.863 1.00 15.00 ? 17 TYR A HD2 1
503
+ ATOM 281 H HE1 . TYR A 1 17 ? 7.291 -1.267 3.985 1.00 15.00 ? 17 TYR A HE1 1
504
+ ATOM 282 H HE2 . TYR A 1 17 ? 8.745 -0.847 -0.005 1.00 15.00 ? 17 TYR A HE2 1
505
+ ATOM 283 H HH . TYR A 1 17 ? 9.827 -0.088 2.142 1.00 15.00 ? 17 TYR A HH 1
506
+ ATOM 284 N N . ASN A 1 18 ? 4.261 1.813 -0.017 1.00 15.00 ? 18 ASN A N 1
507
+ ATOM 285 C CA . ASN A 1 18 ? 4.848 2.838 -0.860 1.00 15.00 ? 18 ASN A CA 1
508
+ ATOM 286 C C . ASN A 1 18 ? 6.355 2.664 -0.889 1.00 15.00 ? 18 ASN A C 1
509
+ ATOM 287 O O . ASN A 1 18 ? 7.032 2.836 0.125 1.00 15.00 ? 18 ASN A O 1
510
+ ATOM 288 C CB . ASN A 1 18 ? 4.508 4.238 -0.346 1.00 15.00 ? 18 ASN A CB 1
511
+ ATOM 289 C CG . ASN A 1 18 ? 4.958 5.321 -1.307 1.00 15.00 ? 18 ASN A CG 1
512
+ ATOM 290 O OD1 . ASN A 1 18 ? 6.111 5.737 -1.291 1.00 15.00 ? 18 ASN A OD1 1
513
+ ATOM 291 N ND2 . ASN A 1 18 ? 4.051 5.794 -2.145 1.00 15.00 ? 18 ASN A ND2 1
514
+ ATOM 292 H H . ASN A 1 18 ? 4.151 1.983 0.946 1.00 15.00 ? 18 ASN A H 1
515
+ ATOM 293 H HA . ASN A 1 18 ? 4.459 2.720 -1.859 1.00 15.00 ? 18 ASN A HA 1
516
+ ATOM 294 H HB2 . ASN A 1 18 ? 3.441 4.320 -0.217 1.00 15.00 ? 18 ASN A HB2 1
517
+ ATOM 295 H HB3 . ASN A 1 18 ? 4.996 4.399 0.605 1.00 15.00 ? 18 ASN A HB3 1
518
+ ATOM 296 H HD21 . ASN A 1 18 ? 3.141 5.426 -2.103 1.00 15.00 ? 18 ASN A HD21 1
519
+ ATOM 297 H HD22 . ASN A 1 18 ? 4.322 6.498 -2.769 1.00 15.00 ? 18 ASN A HD22 1
520
+ ATOM 298 N N . ASN A 1 19 ? 6.873 2.328 -2.059 1.00 15.00 ? 19 ASN A N 1
521
+ ATOM 299 C CA . ASN A 1 19 ? 8.282 1.990 -2.205 1.00 15.00 ? 19 ASN A CA 1
522
+ ATOM 300 C C . ASN A 1 19 ? 9.148 3.248 -2.264 1.00 15.00 ? 19 ASN A C 1
523
+ ATOM 301 O O . ASN A 1 19 ? 10.371 3.166 -2.347 1.00 15.00 ? 19 ASN A O 1
524
+ ATOM 302 C CB . ASN A 1 19 ? 8.484 1.147 -3.470 1.00 15.00 ? 19 ASN A CB 1
525
+ ATOM 303 C CG . ASN A 1 19 ? 9.610 0.131 -3.344 1.00 15.00 ? 19 ASN A CG 1
526
+ ATOM 304 O OD1 . ASN A 1 19 ? 9.552 -0.942 -3.941 1.00 15.00 ? 19 ASN A OD1 1
527
+ ATOM 305 N ND2 . ASN A 1 19 ? 10.645 0.456 -2.585 1.00 15.00 ? 19 ASN A ND2 1
528
+ ATOM 306 H H . ASN A 1 19 ? 6.288 2.296 -2.850 1.00 15.00 ? 19 ASN A H 1
529
+ ATOM 307 H HA . ASN A 1 19 ? 8.576 1.406 -1.345 1.00 15.00 ? 19 ASN A HA 1
530
+ ATOM 308 H HB2 . ASN A 1 19 ? 7.572 0.611 -3.684 1.00 15.00 ? 19 ASN A HB2 1
531
+ ATOM 309 H HB3 . ASN A 1 19 ? 8.709 1.803 -4.297 1.00 15.00 ? 19 ASN A HB3 1
532
+ ATOM 310 H HD21 . ASN A 1 19 ? 10.644 1.334 -2.147 1.00 15.00 ? 19 ASN A HD21 1
533
+ ATOM 311 H HD22 . ASN A 1 19 ? 11.373 -0.200 -2.486 1.00 15.00 ? 19 ASN A HD22 1
534
+ ATOM 312 N N . ARG A 1 20 ? 8.518 4.412 -2.210 1.00 15.00 ? 20 ARG A N 1
535
+ ATOM 313 C CA . ARG A 1 20 ? 9.252 5.667 -2.275 1.00 15.00 ? 20 ARG A CA 1
536
+ ATOM 314 C C . ARG A 1 20 ? 9.516 6.210 -0.874 1.00 15.00 ? 20 ARG A C 1
537
+ ATOM 315 O O . ARG A 1 20 ? 10.652 6.531 -0.531 1.00 15.00 ? 20 ARG A O 1
538
+ ATOM 316 C CB . ARG A 1 20 ? 8.480 6.693 -3.112 1.00 15.00 ? 20 ARG A CB 1
539
+ ATOM 317 C CG . ARG A 1 20 ? 9.226 8.000 -3.333 1.00 15.00 ? 20 ARG A CG 1
540
+ ATOM 318 C CD . ARG A 1 20 ? 10.515 7.776 -4.108 1.00 15.00 ? 20 ARG A CD 1
541
+ ATOM 319 N NE . ARG A 1 20 ? 10.277 7.063 -5.362 1.00 15.00 ? 20 ARG A NE 1
542
+ ATOM 320 C CZ . ARG A 1 20 ? 11.166 6.271 -5.954 1.00 15.00 ? 20 ARG A CZ 1
543
+ ATOM 321 N NH1 . ARG A 1 20 ? 12.374 6.102 -5.428 1.00 15.00 1 20 ARG A NH1 1
544
+ ATOM 322 N NH2 . ARG A 1 20 ? 10.841 5.650 -7.080 1.00 15.00 ? 20 ARG A NH2 1
545
+ ATOM 323 H H . ARG A 1 20 ? 7.539 4.431 -2.121 1.00 15.00 ? 20 ARG A H 1
546
+ ATOM 324 H HA . ARG A 1 20 ? 10.199 5.468 -2.754 1.00 15.00 ? 20 ARG A HA 1
547
+ ATOM 325 H HB2 . ARG A 1 20 ? 8.273 6.259 -4.079 1.00 15.00 ? 20 ARG A HB2 1
548
+ ATOM 326 H HB3 . ARG A 1 20 ? 7.543 6.911 -2.621 1.00 15.00 ? 20 ARG A HB3 1
549
+ ATOM 327 H HG2 . ARG A 1 20 ? 8.594 8.678 -3.889 1.00 15.00 ? 20 ARG A HG2 1
550
+ ATOM 328 H HG3 . ARG A 1 20 ? 9.464 8.433 -2.373 1.00 15.00 ? 20 ARG A HG3 1
551
+ ATOM 329 H HD2 . ARG A 1 20 ? 10.959 8.735 -4.330 1.00 15.00 ? 20 ARG A HD2 1
552
+ ATOM 330 H HD3 . ARG A 1 20 ? 11.193 7.197 -3.498 1.00 15.00 ? 20 ARG A HD3 1
553
+ ATOM 331 H HE . ARG A 1 20 ? 9.383 7.173 -5.785 1.00 15.00 ? 20 ARG A HE 1
554
+ ATOM 332 H HH11 . ARG A 1 20 ? 12.627 6.571 -4.574 1.00 15.00 ? 20 ARG A HH11 1
555
+ ATOM 333 H HH12 . ARG A 1 20 ? 13.047 5.507 -5.884 1.00 15.00 ? 20 ARG A HH12 1
556
+ ATOM 334 H HH21 . ARG A 1 20 ? 9.929 5.784 -7.482 1.00 15.00 ? 20 ARG A HH21 1
557
+ ATOM 335 H HH22 . ARG A 1 20 ? 11.496 5.026 -7.524 1.00 15.00 ? 20 ARG A HH22 1
558
+ ATOM 336 N N . THR A 1 21 ? 8.467 6.304 -0.071 1.00 15.00 ? 21 THR A N 1
559
+ ATOM 337 C CA . THR A 1 21 ? 8.578 6.842 1.279 1.00 15.00 ? 21 THR A CA 1
560
+ ATOM 338 C C . THR A 1 21 ? 8.748 5.731 2.314 1.00 15.00 ? 21 THR A C 1
561
+ ATOM 339 O O . THR A 1 21 ? 8.922 6.006 3.503 1.00 15.00 ? 21 THR A O 1
562
+ ATOM 340 C CB . THR A 1 21 ? 7.340 7.686 1.635 1.00 15.00 ? 21 THR A CB 1
563
+ ATOM 341 O OG1 . THR A 1 21 ? 6.145 6.934 1.381 1.00 15.00 ? 21 THR A OG1 1
564
+ ATOM 342 C CG2 . THR A 1 21 ? 7.313 8.978 0.831 1.00 15.00 ? 21 THR A CG2 1
565
+ ATOM 343 H H . THR A 1 21 ? 7.584 6.017 -0.399 1.00 15.00 ? 21 THR A H 1
566
+ ATOM 344 H HA . THR A 1 21 ? 9.445 7.485 1.311 1.00 15.00 ? 21 THR A HA 1
567
+ ATOM 345 H HB . THR A 1 21 ? 7.381 7.934 2.685 1.00 15.00 ? 21 THR A HB 1
568
+ ATOM 346 H HG1 . THR A 1 21 ? 5.421 7.305 1.896 1.00 15.00 ? 21 THR A HG1 1
569
+ ATOM 347 H HG21 . THR A 1 21 ? 6.434 9.548 1.095 1.00 15.00 ? 21 THR A HG21 1
570
+ ATOM 348 H HG22 . THR A 1 21 ? 7.288 8.745 -0.224 1.00 15.00 ? 21 THR A HG22 1
571
+ ATOM 349 H HG23 . THR A 1 21 ? 8.196 9.556 1.052 1.00 15.00 ? 21 THR A HG23 1
572
+ ATOM 350 N N . LEU A 1 22 ? 8.697 4.477 1.849 1.00 15.00 ? 22 LEU A N 1
573
+ ATOM 351 C CA . LEU A 1 22 ? 8.830 3.307 2.726 1.00 15.00 ? 22 LEU A CA 1
574
+ ATOM 352 C C . LEU A 1 22 ? 7.638 3.225 3.678 1.00 15.00 ? 22 LEU A C 1
575
+ ATOM 353 O O . LEU A 1 22 ? 7.735 2.683 4.777 1.00 15.00 ? 22 LEU A O 1
576
+ ATOM 354 C CB . LEU A 1 22 ? 10.150 3.343 3.521 1.00 15.00 ? 22 LEU A CB 1
577
+ ATOM 355 C CG . LEU A 1 22 ? 11.436 3.081 2.715 1.00 15.00 ? 22 LEU A CG 1
578
+ ATOM 356 C CD1 . LEU A 1 22 ? 11.293 1.829 1.864 1.00 15.00 ? 22 LEU A CD1 1
579
+ ATOM 357 C CD2 . LEU A 1 22 ? 11.805 4.276 1.847 1.00 15.00 ? 22 LEU A CD2 1
580
+ ATOM 358 H H . LEU A 1 22 ? 8.551 4.336 0.892 1.00 15.00 ? 22 LEU A H 1
581
+ ATOM 359 H HA . LEU A 1 22 ? 8.825 2.427 2.096 1.00 15.00 ? 22 LEU A HA 1
582
+ ATOM 360 H HB2 . LEU A 1 22 ? 10.235 4.316 3.981 1.00 15.00 ? 22 LEU A HB2 1
583
+ ATOM 361 H HB3 . LEU A 1 22 ? 10.088 2.602 4.303 1.00 15.00 ? 22 LEU A HB3 1
584
+ ATOM 362 H HG . LEU A 1 22 ? 12.249 2.912 3.408 1.00 15.00 ? 22 LEU A HG 1
585
+ ATOM 363 H HD11 . LEU A 1 22 ? 11.075 0.984 2.500 1.00 15.00 ? 22 LEU A HD11 1
586
+ ATOM 364 H HD12 . LEU A 1 22 ? 12.215 1.649 1.330 1.00 15.00 ? 22 LEU A HD12 1
587
+ ATOM 365 H HD13 . LEU A 1 22 ? 10.488 1.966 1.157 1.00 15.00 ? 22 LEU A HD13 1
588
+ ATOM 366 H HD21 . LEU A 1 22 ? 11.977 5.138 2.474 1.00 15.00 ? 22 LEU A HD21 1
589
+ ATOM 367 H HD22 . LEU A 1 22 ? 10.997 4.485 1.162 1.00 15.00 ? 22 LEU A HD22 1
590
+ ATOM 368 H HD23 . LEU A 1 22 ? 12.701 4.051 1.288 1.00 15.00 ? 22 LEU A HD23 1
591
+ ATOM 369 N N . GLU A 1 23 ? 6.498 3.704 3.202 1.00 15.00 ? 23 GLU A N 1
592
+ ATOM 370 C CA . GLU A 1 23 ? 5.282 3.774 4.004 1.00 15.00 ? 23 GLU A CA 1
593
+ ATOM 371 C C . GLU A 1 23 ? 4.472 2.488 3.865 1.00 15.00 ? 23 GLU A C 1
594
+ ATOM 372 O O . GLU A 1 23 ? 4.195 2.043 2.755 1.00 15.00 ? 23 GLU A O 1
595
+ ATOM 373 C CB . GLU A 1 23 ? 4.445 4.974 3.544 1.00 15.00 ? 23 GLU A CB 1
596
+ ATOM 374 C CG . GLU A 1 23 ? 3.045 5.031 4.135 1.00 15.00 ? 23 GLU A CG 1
597
+ ATOM 375 C CD . GLU A 1 23 ? 3.030 5.370 5.609 1.00 15.00 ? 23 GLU A CD 1
598
+ ATOM 376 O OE1 . GLU A 1 23 ? 3.320 4.479 6.433 1.00 15.00 ? 23 GLU A OE1 1
599
+ ATOM 377 O OE2 . GLU A 1 23 ? 2.696 6.526 5.947 1.00 15.00 -1 23 GLU A OE2 1
600
+ ATOM 378 H H . GLU A 1 23 ? 6.466 4.005 2.270 1.00 15.00 ? 23 GLU A H 1
601
+ ATOM 379 H HA . GLU A 1 23 ? 5.563 3.910 5.039 1.00 15.00 ? 23 GLU A HA 1
602
+ ATOM 380 H HB2 . GLU A 1 23 ? 4.960 5.882 3.817 1.00 15.00 ? 23 GLU A HB2 1
603
+ ATOM 381 H HB3 . GLU A 1 23 ? 4.353 4.935 2.468 1.00 15.00 ? 23 GLU A HB3 1
604
+ ATOM 382 H HG2 . GLU A 1 23 ? 2.479 5.783 3.607 1.00 15.00 ? 23 GLU A HG2 1
605
+ ATOM 383 H HG3 . GLU A 1 23 ? 2.573 4.068 3.998 1.00 15.00 ? 23 GLU A HG3 1
606
+ ATOM 384 N N . SER A 1 24 ? 4.087 1.901 4.984 1.00 15.00 ? 24 SER A N 1
607
+ ATOM 385 C CA . SER A 1 24 ? 3.268 0.703 4.968 1.00 15.00 ? 24 SER A CA 1
608
+ ATOM 386 C C . SER A 1 24 ? 1.994 0.924 5.771 1.00 15.00 ? 24 SER A C 1
609
+ ATOM 387 O O . SER A 1 24 ? 2.038 1.108 6.990 1.00 15.00 ? 24 SER A O 1
610
+ ATOM 388 C CB . SER A 1 24 ? 4.053 -0.496 5.507 1.00 15.00 ? 24 SER A CB 1
611
+ ATOM 389 O OG . SER A 1 24 ? 4.635 -0.209 6.767 1.00 15.00 ? 24 SER A OG 1
612
+ ATOM 390 H H . SER A 1 24 ? 4.349 2.294 5.845 1.00 15.00 ? 24 SER A H 1
613
+ ATOM 391 H HA . SER A 1 24 ? 2.995 0.508 3.941 1.00 15.00 ? 24 SER A HA 1
614
+ ATOM 392 H HB2 . SER A 1 24 ? 3.386 -1.339 5.619 1.00 15.00 ? 24 SER A HB2 1
615
+ ATOM 393 H HB3 . SER A 1 24 ? 4.840 -0.751 4.812 1.00 15.00 ? 24 SER A HB3 1
616
+ ATOM 394 H HG . SER A 1 24 ? 4.058 0.396 7.251 1.00 15.00 ? 24 SER A HG 1
617
+ ATOM 395 N N . THR A 1 25 ? 0.865 0.930 5.081 1.00 15.00 ? 25 THR A N 1
618
+ ATOM 396 C CA . THR A 1 25 ? -0.416 1.182 5.714 1.00 15.00 ? 25 THR A CA 1
619
+ ATOM 397 C C . THR A 1 25 ? -1.441 0.126 5.306 1.00 15.00 ? 25 THR A C 1
620
+ ATOM 398 O O . THR A 1 25 ? -1.369 -0.437 4.208 1.00 15.00 ? 25 THR A O 1
621
+ ATOM 399 C CB . THR A 1 25 ? -0.940 2.597 5.370 1.00 15.00 ? 25 THR A CB 1
622
+ ATOM 400 O OG1 . THR A 1 25 ? -2.223 2.822 5.974 1.00 15.00 ? 25 THR A OG1 1
623
+ ATOM 401 C CG2 . THR A 1 25 ? -1.042 2.796 3.862 1.00 15.00 ? 25 THR A CG2 1
624
+ ATOM 402 H H . THR A 1 25 ? 0.893 0.758 4.114 1.00 15.00 ? 25 THR A H 1
625
+ ATOM 403 H HA . THR A 1 25 ? -0.270 1.127 6.784 1.00 15.00 ? 25 THR A HA 1
626
+ ATOM 404 H HB . THR A 1 25 ? -0.239 3.321 5.762 1.00 15.00 ? 25 THR A HB 1
627
+ ATOM 405 H HG1 . THR A 1 25 ? -2.178 2.608 6.918 1.00 15.00 ? 25 THR A HG1 1
628
+ ATOM 406 H HG21 . THR A 1 25 ? -1.416 3.789 3.656 1.00 15.00 ? 25 THR A HG21 1
629
+ ATOM 407 H HG22 . THR A 1 25 ? -1.718 2.064 3.447 1.00 15.00 ? 25 THR A HG22 1
630
+ ATOM 408 H HG23 . THR A 1 25 ? -0.066 2.679 3.416 1.00 15.00 ? 25 THR A HG23 1
631
+ ATOM 409 N N . TRP A 1 26 ? -2.379 -0.149 6.202 1.00 15.00 ? 26 TRP A N 1
632
+ ATOM 410 C CA . TRP A 1 26 ? -3.404 -1.155 5.958 1.00 15.00 ? 26 TRP A CA 1
633
+ ATOM 411 C C . TRP A 1 26 ? -4.668 -0.503 5.402 1.00 15.00 ? 26 TRP A C 1
634
+ ATOM 412 O O . TRP A 1 26 ? -5.680 -1.169 5.178 1.00 15.00 ? 26 TRP A O 1
635
+ ATOM 413 C CB . TRP A 1 26 ? -3.722 -1.904 7.257 1.00 15.00 ? 26 TRP A CB 1
636
+ ATOM 414 C CG . TRP A 1 26 ? -2.531 -2.609 7.840 1.00 15.00 ? 26 TRP A CG 1
637
+ ATOM 415 C CD1 . TRP A 1 26 ? -1.715 -2.147 8.831 1.00 15.00 ? 26 TRP A CD1 1
638
+ ATOM 416 C CD2 . TRP A 1 26 ? -2.018 -3.890 7.461 1.00 15.00 ? 26 TRP A CD2 1
639
+ ATOM 417 N NE1 . TRP A 1 26 ? -0.728 -3.066 9.096 1.00 15.00 ? 26 TRP A NE1 1
640
+ ATOM 418 C CE2 . TRP A 1 26 ? -0.891 -4.144 8.267 1.00 15.00 ? 26 TRP A CE2 1
641
+ ATOM 419 C CE3 . TRP A 1 26 ? -2.401 -4.849 6.521 1.00 15.00 ? 26 TRP A CE3 1
642
+ ATOM 420 C CZ2 . TRP A 1 26 ? -0.144 -5.315 8.157 1.00 15.00 ? 26 TRP A CZ2 1
643
+ ATOM 421 C CZ3 . TRP A 1 26 ? -1.661 -6.010 6.413 1.00 15.00 ? 26 TRP A CZ3 1
644
+ ATOM 422 C CH2 . TRP A 1 26 ? -0.544 -6.235 7.227 1.00 15.00 ? 26 TRP A CH2 1
645
+ ATOM 423 H H . TRP A 1 26 ? -2.386 0.343 7.057 1.00 15.00 ? 26 TRP A H 1
646
+ ATOM 424 H HA . TRP A 1 26 ? -3.021 -1.854 5.229 1.00 15.00 ? 26 TRP A HA 1
647
+ ATOM 425 H HB2 . TRP A 1 26 ? -4.091 -1.203 7.991 1.00 15.00 ? 26 TRP A HB2 1
648
+ ATOM 426 H HB3 . TRP A 1 26 ? -4.484 -2.644 7.057 1.00 15.00 ? 26 TRP A HB3 1
649
+ ATOM 427 H HD1 . TRP A 1 26 ? -1.839 -1.197 9.329 1.00 15.00 ? 26 TRP A HD1 1
650
+ ATOM 428 H HE1 . TRP A 1 26 ? -0.019 -2.964 9.775 1.00 15.00 ? 26 TRP A HE1 1
651
+ ATOM 429 H HE3 . TRP A 1 26 ? -3.261 -4.694 5.886 1.00 15.00 ? 26 TRP A HE3 1
652
+ ATOM 430 H HZ2 . TRP A 1 26 ? 0.720 -5.504 8.778 1.00 15.00 ? 26 TRP A HZ2 1
653
+ ATOM 431 H HZ3 . TRP A 1 26 ? -1.942 -6.759 5.688 1.00 15.00 ? 26 TRP A HZ3 1
654
+ ATOM 432 H HH2 . TRP A 1 26 ? 0.003 -7.158 7.109 1.00 15.00 ? 26 TRP A HH2 1
655
+ ATOM 433 N N . GLU A 1 27 ? -4.595 0.803 5.182 1.00 15.00 ? 27 GLU A N 1
656
+ ATOM 434 C CA . GLU A 1 27 ? -5.709 1.555 4.629 1.00 15.00 ? 27 GLU A CA 1
657
+ ATOM 435 C C . GLU A 1 27 ? -5.254 2.291 3.373 1.00 15.00 ? 27 GLU A C 1
658
+ ATOM 436 O O . GLU A 1 27 ? -4.269 3.031 3.404 1.00 15.00 ? 27 GLU A O 1
659
+ ATOM 437 C CB . GLU A 1 27 ? -6.241 2.545 5.668 1.00 15.00 ? 27 GLU A CB 1
660
+ ATOM 438 C CG . GLU A 1 27 ? -7.468 3.315 5.208 1.00 15.00 ? 27 GLU A CG 1
661
+ ATOM 439 C CD . GLU A 1 27 ? -8.616 2.404 4.826 1.00 15.00 ? 27 GLU A CD 1
662
+ ATOM 440 O OE1 . GLU A 1 27 ? -9.359 1.962 5.727 1.00 15.00 ? 27 GLU A OE1 1
663
+ ATOM 441 O OE2 . GLU A 1 27 ? -8.783 2.124 3.622 1.00 15.00 -1 27 GLU A OE2 1
664
+ ATOM 442 H H . GLU A 1 27 ? -3.761 1.277 5.389 1.00 15.00 ? 27 GLU A H 1
665
+ ATOM 443 H HA . GLU A 1 27 ? -6.491 0.857 4.367 1.00 15.00 ? 27 GLU A HA 1
666
+ ATOM 444 H HB2 . GLU A 1 27 ? -6.496 2.004 6.568 1.00 15.00 ? 27 GLU A HB2 1
667
+ ATOM 445 H HB3 . GLU A 1 27 ? -5.463 3.258 5.898 1.00 15.00 ? 27 GLU A HB3 1
668
+ ATOM 446 H HG2 . GLU A 1 27 ? -7.792 3.961 6.009 1.00 15.00 ? 27 GLU A HG2 1
669
+ ATOM 447 H HG3 . GLU A 1 27 ? -7.201 3.913 4.349 1.00 15.00 ? 27 GLU A HG3 1
670
+ ATOM 448 N N . LYS A 1 28 ? -5.976 2.096 2.279 1.00 15.00 ? 28 LYS A N 1
671
+ ATOM 449 C CA . LYS A 1 28 ? -5.580 2.659 0.994 1.00 15.00 ? 28 LYS A CA 1
672
+ ATOM 450 C C . LYS A 1 28 ? -5.753 4.176 0.963 1.00 15.00 ? 28 LYS A C 1
673
+ ATOM 451 O O . LYS A 1 28 ? -6.824 4.701 1.266 1.00 15.00 ? 28 LYS A O 1
674
+ ATOM 452 C CB . LYS A 1 28 ? -6.338 2.006 -0.178 1.00 15.00 ? 28 LYS A CB 1
675
+ ATOM 453 C CG . LYS A 1 28 ? -7.844 1.854 0.009 1.00 15.00 ? 28 LYS A CG 1
676
+ ATOM 454 C CD . LYS A 1 28 ? -8.184 0.624 0.843 1.00 15.00 ? 28 LYS A CD 1
677
+ ATOM 455 C CE . LYS A 1 28 ? -9.683 0.420 0.984 1.00 15.00 ? 28 LYS A CE 1
678
+ ATOM 456 N NZ . LYS A 1 28 ? -10.342 1.610 1.567 1.00 15.00 1 28 LYS A NZ 1
679
+ ATOM 457 H H . LYS A 1 28 ? -6.809 1.581 2.343 1.00 15.00 ? 28 LYS A H 1
680
+ ATOM 458 H HA . LYS A 1 28 ? -4.527 2.446 0.873 1.00 15.00 ? 28 LYS A HA 1
681
+ ATOM 459 H HB2 . LYS A 1 28 ? -6.175 2.602 -1.063 1.00 15.00 ? 28 LYS A HB2 1
682
+ ATOM 460 H HB3 . LYS A 1 28 ? -5.924 1.024 -0.345 1.00 15.00 ? 28 LYS A HB3 1
683
+ ATOM 461 H HG2 . LYS A 1 28 ? -8.225 2.734 0.501 1.00 15.00 ? 28 LYS A HG2 1
684
+ ATOM 462 H HG3 . LYS A 1 28 ? -8.306 1.757 -0.962 1.00 15.00 ? 28 LYS A HG3 1
685
+ ATOM 463 H HD2 . LYS A 1 28 ? -7.762 -0.247 0.368 1.00 15.00 ? 28 LYS A HD2 1
686
+ ATOM 464 H HD3 . LYS A 1 28 ? -7.754 0.742 1.827 1.00 15.00 ? 28 LYS A HD3 1
687
+ ATOM 465 H HE2 . LYS A 1 28 ? -10.104 0.224 0.008 1.00 15.00 ? 28 LYS A HE2 1
688
+ ATOM 466 H HE3 . LYS A 1 28 ? -9.858 -0.430 1.628 1.00 15.00 ? 28 LYS A HE3 1
689
+ ATOM 467 H HZ1 . LYS A 1 28 ? -9.805 1.948 2.399 1.00 15.00 ? 28 LYS A HZ1 1
690
+ ATOM 468 H HZ2 . LYS A 1 28 ? -11.314 1.374 1.869 1.00 15.00 ? 28 LYS A HZ2 1
691
+ ATOM 469 H HZ3 . LYS A 1 28 ? -10.390 2.372 0.859 1.00 15.00 ? 28 LYS A HZ3 1
692
+ ATOM 470 N N . PRO A 1 29 ? -4.674 4.882 0.576 1.00 15.00 ? 29 PRO A N 1
693
+ ATOM 471 C CA . PRO A 1 29 ? -4.648 6.351 0.441 1.00 15.00 ? 29 PRO A CA 1
694
+ ATOM 472 C C . PRO A 1 29 ? -5.792 6.895 -0.401 1.00 15.00 ? 29 PRO A C 1
695
+ ATOM 473 O O . PRO A 1 29 ? -6.445 6.159 -1.138 1.00 15.00 ? 29 PRO A O 1
696
+ ATOM 474 C CB . PRO A 1 29 ? -3.316 6.602 -0.274 1.00 15.00 ? 29 PRO A CB 1
697
+ ATOM 475 C CG . PRO A 1 29 ? -2.456 5.469 0.144 1.00 15.00 ? 29 PRO A CG 1
698
+ ATOM 476 C CD . PRO A 1 29 ? -3.368 4.283 0.239 1.00 15.00 ? 29 PRO A CD 1
699
+ ATOM 477 H HA . PRO A 1 29 ? -4.645 6.854 1.397 1.00 15.00 ? 29 PRO A HA 1
700
+ ATOM 478 H HB2 . PRO A 1 29 ? -3.473 6.606 -1.343 1.00 15.00 ? 29 PRO A HB2 1
701
+ ATOM 479 H HB3 . PRO A 1 29 ? -2.902 7.549 0.038 1.00 15.00 ? 29 PRO A HB3 1
702
+ ATOM 480 H HG2 . PRO A 1 29 ? -1.689 5.298 -0.597 1.00 15.00 ? 29 PRO A HG2 1
703
+ ATOM 481 H HG3 . PRO A 1 29 ? -2.011 5.677 1.106 1.00 15.00 ? 29 PRO A HG3 1
704
+ ATOM 482 H HD2 . PRO A 1 29 ? -3.414 3.766 -0.708 1.00 15.00 ? 29 PRO A HD2 1
705
+ ATOM 483 H HD3 . PRO A 1 29 ? -3.038 3.614 1.020 1.00 15.00 ? 29 PRO A HD3 1
706
+ ATOM 484 N N . GLN A 1 30 ? -5.989 8.201 -0.298 1.00 15.00 ? 30 GLN A N 1
707
+ ATOM 485 C CA . GLN A 1 30 ? -7.013 8.921 -1.063 1.00 15.00 ? 30 GLN A CA 1
708
+ ATOM 486 C C . GLN A 1 30 ? -6.895 8.644 -2.569 1.00 15.00 ? 30 GLN A C 1
709
+ ATOM 487 O O . GLN A 1 30 ? -7.862 8.797 -3.316 1.00 15.00 ? 30 GLN A O 1
710
+ ATOM 488 C CB . GLN A 1 30 ? -6.885 10.425 -0.802 1.00 15.00 ? 30 GLN A CB 1
711
+ ATOM 489 C CG . GLN A 1 30 ? -8.043 11.255 -1.336 1.00 15.00 ? 30 GLN A CG 1
712
+ ATOM 490 C CD . GLN A 1 30 ? -9.335 11.002 -0.587 1.00 15.00 ? 30 GLN A CD 1
713
+ ATOM 491 O OE1 . GLN A 1 30 ? -10.127 10.130 -0.953 1.00 15.00 ? 30 GLN A OE1 1
714
+ ATOM 492 N NE2 . GLN A 1 30 ? -9.560 11.769 0.466 1.00 15.00 ? 30 GLN A NE2 1
715
+ ATOM 493 H H . GLN A 1 30 ? -5.432 8.703 0.344 1.00 15.00 ? 30 GLN A H 1
716
+ ATOM 494 H HA . GLN A 1 30 ? -7.982 8.587 -0.721 1.00 15.00 ? 30 GLN A HA 1
717
+ ATOM 495 H HB2 . GLN A 1 30 ? -6.822 10.586 0.265 1.00 15.00 ? 30 GLN A HB2 1
718
+ ATOM 496 H HB3 . GLN A 1 30 ? -5.975 10.780 -1.262 1.00 15.00 ? 30 GLN A HB3 1
719
+ ATOM 497 H HG2 . GLN A 1 30 ? -7.791 12.301 -1.247 1.00 15.00 ? 30 GLN A HG2 1
720
+ ATOM 498 H HG3 . GLN A 1 30 ? -8.192 11.010 -2.377 1.00 15.00 ? 30 GLN A HG3 1
721
+ ATOM 499 H HE21 . GLN A 1 30 ? -8.888 12.447 0.695 1.00 15.00 ? 30 GLN A HE21 1
722
+ ATOM 500 H HE22 . GLN A 1 30 ? -10.387 11.627 0.979 1.00 15.00 ? 30 GLN A HE22 1
723
+ ATOM 501 N N . GLU A 1 31 ? -5.698 8.252 -3.004 1.00 15.00 ? 31 GLU A N 1
724
+ ATOM 502 C CA . GLU A 1 31 ? -5.453 7.886 -4.399 1.00 15.00 ? 31 GLU A CA 1
725
+ ATOM 503 C C . GLU A 1 31 ? -6.278 6.660 -4.787 1.00 15.00 ? 31 GLU A C 1
726
+ ATOM 504 O O . GLU A 1 31 ? -6.539 6.410 -5.964 1.00 15.00 ? 31 GLU A O 1
727
+ ATOM 505 C CB . GLU A 1 31 ? -3.969 7.578 -4.614 1.00 15.00 ? 31 GLU A CB 1
728
+ ATOM 506 C CG . GLU A 1 31 ? -3.033 8.695 -4.179 1.00 15.00 ? 31 GLU A CG 1
729
+ ATOM 507 C CD . GLU A 1 31 ? -3.138 9.921 -5.060 1.00 15.00 ? 31 GLU A CD 1
730
+ ATOM 508 O OE1 . GLU A 1 31 ? -2.432 9.979 -6.089 1.00 15.00 -1 31 GLU A OE1 1
731
+ ATOM 509 O OE2 . GLU A 1 31 ? -3.919 10.831 -4.730 1.00 15.00 -1 31 GLU A OE2 1
732
+ ATOM 510 H H . GLU A 1 31 ? -4.956 8.211 -2.368 1.00 15.00 ? 31 GLU A H 1
733
+ ATOM 511 H HA . GLU A 1 31 ? -5.739 8.719 -5.022 1.00 15.00 ? 31 GLU A HA 1
734
+ ATOM 512 H HB2 . GLU A 1 31 ? -3.714 6.690 -4.057 1.00 15.00 ? 31 GLU A HB2 1
735
+ ATOM 513 H HB3 . GLU A 1 31 ? -3.804 7.392 -5.665 1.00 15.00 ? 31 GLU A HB3 1
736
+ ATOM 514 H HG2 . GLU A 1 31 ? -3.276 8.978 -3.165 1.00 15.00 ? 31 GLU A HG2 1
737
+ ATOM 515 H HG3 . GLU A 1 31 ? -2.018 8.330 -4.216 1.00 15.00 ? 31 GLU A HG3 1
738
+ ATOM 516 N N . LEU A 1 32 ? -6.658 5.889 -3.783 1.00 15.00 ? 32 LEU A N 1
739
+ ATOM 517 C CA . LEU A 1 32 ? -7.410 4.663 -3.979 1.00 15.00 ? 32 LEU A CA 1
740
+ ATOM 518 C C . LEU A 1 32 ? -8.748 4.763 -3.263 1.00 15.00 ? 32 LEU A C 1
741
+ ATOM 519 O O . LEU A 1 32 ? -9.779 4.957 -3.908 1.00 15.00 ? 32 LEU A O 1
742
+ ATOM 520 C CB . LEU A 1 32 ? -6.599 3.481 -3.454 1.00 15.00 ? 32 LEU A CB 1
743
+ ATOM 521 C CG . LEU A 1 32 ? -5.305 3.213 -4.219 1.00 15.00 ? 32 LEU A CG 1
744
+ ATOM 522 C CD1 . LEU A 1 32 ? -4.399 2.281 -3.435 1.00 15.00 ? 32 LEU A CD1 1
745
+ ATOM 523 C CD2 . LEU A 1 32 ? -5.620 2.629 -5.587 1.00 15.00 ? 32 LEU A CD2 1
746
+ ATOM 524 H H . LEU A 1 32 ? -6.434 6.162 -2.865 1.00 15.00 ? 32 LEU A H 1
747
+ ATOM 525 H HA . LEU A 1 32 ? -7.581 4.538 -5.038 1.00 15.00 ? 32 LEU A HA 1
748
+ ATOM 526 H HB2 . LEU A 1 32 ? -6.353 3.670 -2.418 1.00 15.00 ? 32 LEU A HB2 1
749
+ ATOM 527 H HB3 . LEU A 1 32 ? -7.213 2.596 -3.506 1.00 15.00 ? 32 LEU A HB3 1
750
+ ATOM 528 H HG . LEU A 1 32 ? -4.780 4.145 -4.367 1.00 15.00 ? 32 LEU A HG 1
751
+ ATOM 529 H HD11 . LEU A 1 32 ? -4.159 2.732 -2.482 1.00 15.00 ? 32 LEU A HD11 1
752
+ ATOM 530 H HD12 . LEU A 1 32 ? -3.489 2.110 -3.991 1.00 15.00 ? 32 LEU A HD12 1
753
+ ATOM 531 H HD13 . LEU A 1 32 ? -4.903 1.340 -3.271 1.00 15.00 ? 32 LEU A HD13 1
754
+ ATOM 532 H HD21 . LEU A 1 32 ? -4.702 2.452 -6.125 1.00 15.00 ? 32 LEU A HD21 1
755
+ ATOM 533 H HD22 . LEU A 1 32 ? -6.235 3.324 -6.139 1.00 15.00 ? 32 LEU A HD22 1
756
+ ATOM 534 H HD23 . LEU A 1 32 ? -6.153 1.699 -5.464 1.00 15.00 ? 32 LEU A HD23 1
757
+ ATOM 535 N N . LYS A 1 33 ? -8.707 4.676 -1.930 1.00 15.00 ? 33 LYS A N 1
758
+ ATOM 536 C CA . LYS A 1 33 ? -9.893 4.849 -1.096 1.00 15.00 ? 33 LYS A CA 1
759
+ ATOM 537 C C . LYS A 1 33 ? -10.948 3.787 -1.406 1.00 15.00 ? 33 LYS A C 1
760
+ ATOM 538 O O . LYS A 1 33 ? -10.911 2.714 -0.780 1.00 15.00 ? 33 LYS A O 1
761
+ ATOM 539 C CB . LYS A 1 33 ? -10.462 6.254 -1.307 1.00 15.00 ? 33 LYS A CB 1
762
+ ATOM 540 C CG . LYS A 1 33 ? -11.752 6.534 -0.559 1.00 15.00 ? 33 LYS A CG 1
763
+ ATOM 541 C CD . LYS A 1 33 ? -12.563 7.610 -1.264 1.00 15.00 ? 33 LYS A CD 1
764
+ ATOM 542 C CE . LYS A 1 33 ? -13.362 7.051 -2.441 1.00 15.00 ? 33 LYS A CE 1
765
+ ATOM 543 N NZ . LYS A 1 33 ? -12.504 6.421 -3.488 1.00 15.00 1 33 LYS A NZ 1
766
+ ATOM 544 O OXT . LYS A 1 33 ? -11.808 4.028 -2.279 1.00 15.00 -1 33 LYS A OXT 1
767
+ ATOM 545 H H . LYS A 1 33 ? -7.847 4.499 -1.494 1.00 15.00 ? 33 LYS A H 1
768
+ ATOM 546 H HA . LYS A 1 33 ? -9.588 4.742 -0.066 1.00 15.00 ? 33 LYS A HA 1
769
+ ATOM 547 H HB2 . LYS A 1 33 ? -9.727 6.977 -0.987 1.00 15.00 ? 33 LYS A HB2 1
770
+ ATOM 548 H HB3 . LYS A 1 33 ? -10.649 6.392 -2.361 1.00 15.00 ? 33 LYS A HB3 1
771
+ ATOM 549 H HG2 . LYS A 1 33 ? -12.335 5.627 -0.511 1.00 15.00 ? 33 LYS A HG2 1
772
+ ATOM 550 H HG3 . LYS A 1 33 ? -11.515 6.869 0.439 1.00 15.00 ? 33 LYS A HG3 1
773
+ ATOM 551 H HD2 . LYS A 1 33 ? -13.246 8.053 -0.555 1.00 15.00 ? 33 LYS A HD2 1
774
+ ATOM 552 H HD3 . LYS A 1 33 ? -11.887 8.368 -1.631 1.00 15.00 ? 33 LYS A HD3 1
775
+ ATOM 553 H HE2 . LYS A 1 33 ? -14.050 6.308 -2.066 1.00 15.00 ? 33 LYS A HE2 1
776
+ ATOM 554 H HE3 . LYS A 1 33 ? -13.924 7.858 -2.889 1.00 15.00 ? 33 LYS A HE3 1
777
+ ATOM 555 H HZ1 . LYS A 1 33 ? -13.087 6.133 -4.304 1.00 15.00 ? 33 LYS A HZ1 1
778
+ ATOM 556 H HZ2 . LYS A 1 33 ? -12.031 5.573 -3.103 1.00 15.00 ? 33 LYS A HZ2 1
779
+ ATOM 557 H HZ3 . LYS A 1 33 ? -11.776 7.095 -3.814 1.00 15.00 ? 33 LYS A HZ3 1
780
+ #
mmcifs/2N88_A.cif ADDED
@@ -0,0 +1,1166 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_2N88_A
2
+ #
3
+ _pdbx_database_status.entry_id 2N88_A
4
+ _pdbx_database_status.status_code .
5
+ _pdbx_database_status.status_code_sf ?
6
+ _pdbx_database_status.status_code_mr ?
7
+ _pdbx_database_status.status_code_cs ?
8
+ _pdbx_database_status.recvd_initial_deposition_date ?
9
+ _pdbx_database_status.status_code_nmr_data ?
10
+ _pdbx_database_status.deposit_site ?
11
+ _pdbx_database_status.process_site ?
12
+ _pdbx_database_status.SG_entry ?
13
+ _pdbx_database_status.pdb_format_compatible Y
14
+ _pdbx_database_status.methods_development_category ?
15
+ #
16
+ _entity_poly.entity_id 1
17
+ _entity_poly.type "polypeptide(L)"
18
+ _entity_poly.nstd_linkage no
19
+ _entity_poly.nstd_monomer no
20
+ _entity_poly.pdbx_seq_one_letter_code GLEYAVAESVIGKRVGDDGKTIEYLVKWTDMSDATWEPQDNVDSTLVLLYQQQQPMNE
21
+ _entity_poly.pdbx_seq_one_letter_code_can GLEYAVAESVIGKRVGDDGKTIEYLVKWTDMSDATWEPQDNVDSTLVLLYQQQQPMNE
22
+ _entity_poly.pdbx_strand_id A
23
+ _entity_poly.pdbx_target_identifier ?
24
+ #
25
+ loop_
26
+ _entity_poly_seq.entity_id
27
+ _entity_poly_seq.num
28
+ _entity_poly_seq.mon_id
29
+ _entity_poly_seq.hetero
30
+ 1 1 GLY n
31
+ 1 2 LEU n
32
+ 1 3 GLU n
33
+ 1 4 TYR n
34
+ 1 5 ALA n
35
+ 1 6 VAL n
36
+ 1 7 ALA n
37
+ 1 8 GLU n
38
+ 1 9 SER n
39
+ 1 10 VAL n
40
+ 1 11 ILE n
41
+ 1 12 GLY n
42
+ 1 13 LYS n
43
+ 1 14 ARG n
44
+ 1 15 VAL n
45
+ 1 16 GLY n
46
+ 1 17 ASP n
47
+ 1 18 ASP n
48
+ 1 19 GLY n
49
+ 1 20 LYS n
50
+ 1 21 THR n
51
+ 1 22 ILE n
52
+ 1 23 GLU n
53
+ 1 24 TYR n
54
+ 1 25 LEU n
55
+ 1 26 VAL n
56
+ 1 27 LYS n
57
+ 1 28 TRP n
58
+ 1 29 THR n
59
+ 1 30 ASP n
60
+ 1 31 MET n
61
+ 1 32 SER n
62
+ 1 33 ASP n
63
+ 1 34 ALA n
64
+ 1 35 THR n
65
+ 1 36 TRP n
66
+ 1 37 GLU n
67
+ 1 38 PRO n
68
+ 1 39 GLN n
69
+ 1 40 ASP n
70
+ 1 41 ASN n
71
+ 1 42 VAL n
72
+ 1 43 ASP n
73
+ 1 44 SER n
74
+ 1 45 THR n
75
+ 1 46 LEU n
76
+ 1 47 VAL n
77
+ 1 48 LEU n
78
+ 1 49 LEU n
79
+ 1 50 TYR n
80
+ 1 51 GLN n
81
+ 1 52 GLN n
82
+ 1 53 GLN n
83
+ 1 54 GLN n
84
+ 1 55 PRO n
85
+ 1 56 MET n
86
+ 1 57 ASN n
87
+ 1 58 GLU n
88
+ #
89
+ _entity.id 1
90
+ _entity.type polymer
91
+ _entity.src_method man
92
+ _entity.pdbx_description ?
93
+ _entity.formula_weight 6580.234
94
+ _entity.pdbx_number_of_molecules 1
95
+ _entity.pdbx_ec ?
96
+ _entity.pdbx_mutation ?
97
+ _entity.pdbx_fragment ?
98
+ _entity.details ?
99
+ #
100
+ loop_
101
+ _pdbx_poly_seq_scheme.asym_id
102
+ _pdbx_poly_seq_scheme.entity_id
103
+ _pdbx_poly_seq_scheme.seq_id
104
+ _pdbx_poly_seq_scheme.mon_id
105
+ _pdbx_poly_seq_scheme.ndb_seq_num
106
+ _pdbx_poly_seq_scheme.pdb_seq_num
107
+ _pdbx_poly_seq_scheme.auth_seq_num
108
+ _pdbx_poly_seq_scheme.pdb_mon_id
109
+ _pdbx_poly_seq_scheme.auth_mon_id
110
+ _pdbx_poly_seq_scheme.pdb_strand_id
111
+ _pdbx_poly_seq_scheme.pdb_ins_code
112
+ _pdbx_poly_seq_scheme.hetero
113
+ A 1 1 GLY 1 1 1 GLY GLY A . n
114
+ A 1 2 LEU 2 2 2 LEU LEU A . n
115
+ A 1 3 GLU 3 3 3 GLU GLU A . n
116
+ A 1 4 TYR 4 4 4 TYR TYR A . n
117
+ A 1 5 ALA 5 5 5 ALA ALA A . n
118
+ A 1 6 VAL 6 6 6 VAL VAL A . n
119
+ A 1 7 ALA 7 7 7 ALA ALA A . n
120
+ A 1 8 GLU 8 8 8 GLU GLU A . n
121
+ A 1 9 SER 9 9 9 SER SER A . n
122
+ A 1 10 VAL 10 10 10 VAL VAL A . n
123
+ A 1 11 ILE 11 11 11 ILE ILE A . n
124
+ A 1 12 GLY 12 12 12 GLY GLY A . n
125
+ A 1 13 LYS 13 13 13 LYS LYS A . n
126
+ A 1 14 ARG 14 14 14 ARG ARG A . n
127
+ A 1 15 VAL 15 15 15 VAL VAL A . n
128
+ A 1 16 GLY 16 16 16 GLY GLY A . n
129
+ A 1 17 ASP 17 17 17 ASP ASP A . n
130
+ A 1 18 ASP 18 18 18 ASP ASP A . n
131
+ A 1 19 GLY 19 19 19 GLY GLY A . n
132
+ A 1 20 LYS 20 20 20 LYS LYS A . n
133
+ A 1 21 THR 21 21 21 THR THR A . n
134
+ A 1 22 ILE 22 22 22 ILE ILE A . n
135
+ A 1 23 GLU 23 23 23 GLU GLU A . n
136
+ A 1 24 TYR 24 24 24 TYR TYR A . n
137
+ A 1 25 LEU 25 25 25 LEU LEU A . n
138
+ A 1 26 VAL 26 26 26 VAL VAL A . n
139
+ A 1 27 LYS 27 27 27 LYS LYS A . n
140
+ A 1 28 TRP 28 28 28 TRP TRP A . n
141
+ A 1 29 THR 29 29 29 THR THR A . n
142
+ A 1 30 ASP 30 30 30 ASP ASP A . n
143
+ A 1 31 MET 31 31 31 MET MET A . n
144
+ A 1 32 SER 32 32 32 SER SER A . n
145
+ A 1 33 ASP 33 33 33 ASP ASP A . n
146
+ A 1 34 ALA 34 34 34 ALA ALA A . n
147
+ A 1 35 THR 35 35 35 THR THR A . n
148
+ A 1 36 TRP 36 36 36 TRP TRP A . n
149
+ A 1 37 GLU 37 37 37 GLU GLU A . n
150
+ A 1 38 PRO 38 38 38 PRO PRO A . n
151
+ A 1 39 GLN 39 39 39 GLN GLN A . n
152
+ A 1 40 ASP 40 40 40 ASP ASP A . n
153
+ A 1 41 ASN 41 41 41 ASN ASN A . n
154
+ A 1 42 VAL 42 42 42 VAL VAL A . n
155
+ A 1 43 ASP 43 43 43 ASP ASP A . n
156
+ A 1 44 SER 44 44 44 SER SER A . n
157
+ A 1 45 THR 45 45 45 THR THR A . n
158
+ A 1 46 LEU 46 46 46 LEU LEU A . n
159
+ A 1 47 VAL 47 47 47 VAL VAL A . n
160
+ A 1 48 LEU 48 48 48 LEU LEU A . n
161
+ A 1 49 LEU 49 49 49 LEU LEU A . n
162
+ A 1 50 TYR 50 50 50 TYR TYR A . n
163
+ A 1 51 GLN 51 51 51 GLN GLN A . n
164
+ A 1 52 GLN 52 52 52 GLN GLN A . n
165
+ A 1 53 GLN 53 53 53 GLN GLN A . n
166
+ A 1 54 GLN 54 54 54 GLN GLN A . n
167
+ A 1 55 PRO 55 55 55 PRO PRO A . n
168
+ A 1 56 MET 56 56 56 MET MET A . n
169
+ A 1 57 ASN 57 57 57 ASN ASN A . n
170
+ A 1 58 GLU 58 58 58 GLU GLU A . n
171
+ #
172
+ loop_
173
+ _chem_comp.id
174
+ _chem_comp.type
175
+ _chem_comp.mon_nstd_flag
176
+ _chem_comp.name
177
+ _chem_comp.pdbx_synonyms
178
+ _chem_comp.formula
179
+ _chem_comp.formula_weight
180
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
181
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
182
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
183
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
184
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
185
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
186
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
187
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
188
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
189
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
190
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
191
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
192
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
193
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
194
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
195
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
196
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
197
+ #
198
+ _struct_asym.id A
199
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
200
+ _struct_asym.pdbx_modified N
201
+ _struct_asym.entity_id 1
202
+ _struct_asym.details ?
203
+ #
204
+ _atom_sites.entry_id 2N88_A
205
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
206
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
207
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
208
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
209
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
210
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
211
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
212
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
213
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
214
+ _atom_sites.fract_transf_vector[1] 0.00000
215
+ _atom_sites.fract_transf_vector[2] 0.00000
216
+ _atom_sites.fract_transf_vector[3] 0.00000
217
+ #
218
+ loop_
219
+ _pdbx_validate_torsion.id
220
+ _pdbx_validate_torsion.PDB_model_num
221
+ _pdbx_validate_torsion.auth_comp_id
222
+ _pdbx_validate_torsion.auth_asym_id
223
+ _pdbx_validate_torsion.auth_seq_id
224
+ _pdbx_validate_torsion.PDB_ins_code
225
+ _pdbx_validate_torsion.label_alt_id
226
+ _pdbx_validate_torsion.phi
227
+ _pdbx_validate_torsion.psi
228
+ 1 1 TYR A 4 ? ? 75.23 168.88
229
+ 2 1 PRO A 55 ? ? -67.44 92.13
230
+ 3 1 ASN A 57 ? ? 67.38 74.86
231
+ #
232
+ loop_
233
+ _atom_type.symbol
234
+ C
235
+ H
236
+ N
237
+ O
238
+ S
239
+ #
240
+ _entry.id 2N88_A
241
+ #
242
+ loop_
243
+ _atom_site.group_PDB
244
+ _atom_site.id
245
+ _atom_site.type_symbol
246
+ _atom_site.label_atom_id
247
+ _atom_site.label_alt_id
248
+ _atom_site.label_comp_id
249
+ _atom_site.label_asym_id
250
+ _atom_site.label_entity_id
251
+ _atom_site.label_seq_id
252
+ _atom_site.pdbx_PDB_ins_code
253
+ _atom_site.Cartn_x
254
+ _atom_site.Cartn_y
255
+ _atom_site.Cartn_z
256
+ _atom_site.occupancy
257
+ _atom_site.B_iso_or_equiv
258
+ _atom_site.pdbx_formal_charge
259
+ _atom_site.auth_seq_id
260
+ _atom_site.auth_comp_id
261
+ _atom_site.auth_asym_id
262
+ _atom_site.auth_atom_id
263
+ _atom_site.pdbx_PDB_model_num
264
+ ATOM 1 N N . GLY A 1 1 ? 23.679 -0.722 -2.934 1.00 0.00 ? 1 GLY A N 1
265
+ ATOM 2 C CA . GLY A 1 1 ? 22.634 -1.468 -3.667 1.00 0.00 ? 1 GLY A CA 1
266
+ ATOM 3 C C . GLY A 1 1 ? 21.255 -1.123 -3.156 1.00 0.00 ? 1 GLY A C 1
267
+ ATOM 4 O O . GLY A 1 1 ? 20.870 0.048 -3.136 1.00 0.00 ? 1 GLY A O 1
268
+ ATOM 5 H H1 . GLY A 1 1 ? 23.615 -0.929 -1.913 1.00 0.00 ? 1 GLY A H1 1
269
+ ATOM 6 H H2 . GLY A 1 1 ? 23.548 0.304 -3.074 1.00 0.00 ? 1 GLY A H2 1
270
+ ATOM 7 H H3 . GLY A 1 1 ? 24.624 -0.990 -3.276 1.00 0.00 ? 1 GLY A H3 1
271
+ ATOM 8 H HA2 . GLY A 1 1 ? 22.691 -1.222 -4.717 1.00 0.00 ? 1 GLY A HA2 1
272
+ ATOM 9 H HA3 . GLY A 1 1 ? 22.801 -2.529 -3.543 1.00 0.00 ? 1 GLY A HA3 1
273
+ ATOM 10 N N . LEU A 1 2 ? 20.512 -2.134 -2.731 1.00 0.00 ? 2 LEU A N 1
274
+ ATOM 11 C CA . LEU A 1 2 ? 19.174 -1.915 -2.205 1.00 0.00 ? 2 LEU A CA 1
275
+ ATOM 12 C C . LEU A 1 2 ? 19.058 -2.379 -0.759 1.00 0.00 ? 2 LEU A C 1
276
+ ATOM 13 O O . LEU A 1 2 ? 18.087 -3.042 -0.395 1.00 0.00 ? 2 LEU A O 1
277
+ ATOM 14 C CB . LEU A 1 2 ? 18.112 -2.629 -3.052 1.00 0.00 ? 2 LEU A CB 1
278
+ ATOM 15 C CG . LEU A 1 2 ? 17.866 -2.051 -4.451 1.00 0.00 ? 2 LEU A CG 1
279
+ ATOM 16 C CD1 . LEU A 1 2 ? 18.955 -2.482 -5.424 1.00 0.00 ? 2 LEU A CD1 1
280
+ ATOM 17 C CD2 . LEU A 1 2 ? 16.492 -2.465 -4.958 1.00 0.00 ? 2 LEU A CD2 1
281
+ ATOM 18 H H . LEU A 1 2 ? 20.869 -3.051 -2.780 1.00 0.00 ? 2 LEU A H 1
282
+ ATOM 19 H HA . LEU A 1 2 ? 18.983 -0.852 -2.238 1.00 0.00 ? 2 LEU A HA 1
283
+ ATOM 20 H HB2 . LEU A 1 2 ? 18.412 -3.659 -3.163 1.00 0.00 ? 2 LEU A HB2 1
284
+ ATOM 21 H HB3 . LEU A 1 2 ? 17.179 -2.602 -2.508 1.00 0.00 ? 2 LEU A HB3 1
285
+ ATOM 22 H HG . LEU A 1 2 ? 17.885 -0.973 -4.391 1.00 0.00 ? 2 LEU A HG 1
286
+ ATOM 23 H HD11 . LEU A 1 2 ? 18.745 -2.079 -6.404 1.00 0.00 ? 2 LEU A HD11 1
287
+ ATOM 24 H HD12 . LEU A 1 2 ? 18.987 -3.560 -5.476 1.00 0.00 ? 2 LEU A HD12 1
288
+ ATOM 25 H HD13 . LEU A 1 2 ? 19.910 -2.111 -5.081 1.00 0.00 ? 2 LEU A HD13 1
289
+ ATOM 26 H HD21 . LEU A 1 2 ? 16.429 -3.544 -4.984 1.00 0.00 ? 2 LEU A HD21 1
290
+ ATOM 27 H HD22 . LEU A 1 2 ? 16.341 -2.072 -5.952 1.00 0.00 ? 2 LEU A HD22 1
291
+ ATOM 28 H HD23 . LEU A 1 2 ? 15.732 -2.076 -4.297 1.00 0.00 ? 2 LEU A HD23 1
292
+ ATOM 29 N N . GLU A 1 3 ? 20.048 -2.062 0.069 1.00 0.00 ? 3 GLU A N 1
293
+ ATOM 30 C CA . GLU A 1 3 ? 19.911 -2.296 1.499 1.00 0.00 ? 3 GLU A CA 1
294
+ ATOM 31 C C . GLU A 1 3 ? 18.981 -1.243 2.074 1.00 0.00 ? 3 GLU A C 1
295
+ ATOM 32 O O . GLU A 1 3 ? 19.270 -0.044 2.005 1.00 0.00 ? 3 GLU A O 1
296
+ ATOM 33 C CB . GLU A 1 3 ? 21.259 -2.307 2.240 1.00 0.00 ? 3 GLU A CB 1
297
+ ATOM 34 C CG . GLU A 1 3 ? 22.227 -1.204 1.839 1.00 0.00 ? 3 GLU A CG 1
298
+ ATOM 35 C CD . GLU A 1 3 ? 23.020 -1.561 0.604 1.00 0.00 ? 3 GLU A CD 1
299
+ ATOM 36 O OE1 . GLU A 1 3 ? 23.968 -2.364 0.716 1.00 0.00 ? 3 GLU A OE1 1
300
+ ATOM 37 O OE2 . GLU A 1 3 ? 22.701 -1.048 -0.481 1.00 0.00 ? 3 GLU A OE2 1
301
+ ATOM 38 H H . GLU A 1 3 ? 20.868 -1.651 -0.284 1.00 0.00 ? 3 GLU A H 1
302
+ ATOM 39 H HA . GLU A 1 3 ? 19.440 -3.262 1.619 1.00 0.00 ? 3 GLU A HA 1
303
+ ATOM 40 H HB2 . GLU A 1 3 ? 21.072 -2.214 3.299 1.00 0.00 ? 3 GLU A HB2 1
304
+ ATOM 41 H HB3 . GLU A 1 3 ? 21.741 -3.256 2.057 1.00 0.00 ? 3 GLU A HB3 1
305
+ ATOM 42 H HG2 . GLU A 1 3 ? 21.667 -0.303 1.643 1.00 0.00 ? 3 GLU A HG2 1
306
+ ATOM 43 H HG3 . GLU A 1 3 ? 22.914 -1.031 2.655 1.00 0.00 ? 3 GLU A HG3 1
307
+ ATOM 44 N N . TYR A 1 4 ? 17.856 -1.715 2.606 1.00 0.00 ? 4 TYR A N 1
308
+ ATOM 45 C CA . TYR A 1 4 ? 16.741 -0.863 3.027 1.00 0.00 ? 4 TYR A CA 1
309
+ ATOM 46 C C . TYR A 1 4 ? 15.982 -0.371 1.804 1.00 0.00 ? 4 TYR A C 1
310
+ ATOM 47 O O . TYR A 1 4 ? 16.438 -0.530 0.672 1.00 0.00 ? 4 TYR A O 1
311
+ ATOM 48 C CB . TYR A 1 4 ? 17.186 0.341 3.870 1.00 0.00 ? 4 TYR A CB 1
312
+ ATOM 49 C CG . TYR A 1 4 ? 17.737 -0.015 5.230 1.00 0.00 ? 4 TYR A CG 1
313
+ ATOM 50 C CD1 . TYR A 1 4 ? 16.884 -0.275 6.295 1.00 0.00 ? 4 TYR A CD1 1
314
+ ATOM 51 C CD2 . TYR A 1 4 ? 19.105 -0.079 5.455 1.00 0.00 ? 4 TYR A CD2 1
315
+ ATOM 52 C CE1 . TYR A 1 4 ? 17.378 -0.593 7.543 1.00 0.00 ? 4 TYR A CE1 1
316
+ ATOM 53 C CE2 . TYR A 1 4 ? 19.608 -0.395 6.701 1.00 0.00 ? 4 TYR A CE2 1
317
+ ATOM 54 C CZ . TYR A 1 4 ? 18.740 -0.651 7.741 1.00 0.00 ? 4 TYR A CZ 1
318
+ ATOM 55 O OH . TYR A 1 4 ? 19.235 -0.961 8.984 1.00 0.00 ? 4 TYR A OH 1
319
+ ATOM 56 H H . TYR A 1 4 ? 17.758 -2.685 2.690 1.00 0.00 ? 4 TYR A H 1
320
+ ATOM 57 H HA . TYR A 1 4 ? 16.074 -1.476 3.618 1.00 0.00 ? 4 TYR A HA 1
321
+ ATOM 58 H HB2 . TYR A 1 4 ? 17.952 0.877 3.334 1.00 0.00 ? 4 TYR A HB2 1
322
+ ATOM 59 H HB3 . TYR A 1 4 ? 16.337 0.994 4.016 1.00 0.00 ? 4 TYR A HB3 1
323
+ ATOM 60 H HD1 . TYR A 1 4 ? 15.817 -0.227 6.136 1.00 0.00 ? 4 TYR A HD1 1
324
+ ATOM 61 H HD2 . TYR A 1 4 ? 19.783 0.120 4.637 1.00 0.00 ? 4 TYR A HD2 1
325
+ ATOM 62 H HE1 . TYR A 1 4 ? 16.699 -0.795 8.357 1.00 0.00 ? 4 TYR A HE1 1
326
+ ATOM 63 H HE2 . TYR A 1 4 ? 20.674 -0.440 6.859 1.00 0.00 ? 4 TYR A HE2 1
327
+ ATOM 64 H HH . TYR A 1 4 ? 19.971 -0.365 9.192 1.00 0.00 ? 4 TYR A HH 1
328
+ ATOM 65 N N . ALA A 1 5 ? 14.825 0.217 2.032 1.00 0.00 ? 5 ALA A N 1
329
+ ATOM 66 C CA . ALA A 1 5 ? 14.006 0.718 0.947 1.00 0.00 ? 5 ALA A CA 1
330
+ ATOM 67 C C . ALA A 1 5 ? 13.154 1.879 1.433 1.00 0.00 ? 5 ALA A C 1
331
+ ATOM 68 O O . ALA A 1 5 ? 12.813 1.952 2.616 1.00 0.00 ? 5 ALA A O 1
332
+ ATOM 69 C CB . ALA A 1 5 ? 13.146 -0.403 0.393 1.00 0.00 ? 5 ALA A CB 1
333
+ ATOM 70 H H . ALA A 1 5 ? 14.509 0.319 2.953 1.00 0.00 ? 5 ALA A H 1
334
+ ATOM 71 H HA . ALA A 1 5 ? 14.660 1.067 0.160 1.00 0.00 ? 5 ALA A HA 1
335
+ ATOM 72 H HB1 . ALA A 1 5 ? 13.783 -1.214 0.071 1.00 0.00 ? 5 ALA A HB1 1
336
+ ATOM 73 H HB2 . ALA A 1 5 ? 12.572 -0.039 -0.446 1.00 0.00 ? 5 ALA A HB2 1
337
+ ATOM 74 H HB3 . ALA A 1 5 ? 12.477 -0.757 1.163 1.00 0.00 ? 5 ALA A HB3 1
338
+ ATOM 75 N N . VAL A 1 6 ? 12.822 2.790 0.529 1.00 0.00 ? 6 VAL A N 1
339
+ ATOM 76 C CA . VAL A 1 6 ? 12.064 3.981 0.895 1.00 0.00 ? 6 VAL A CA 1
340
+ ATOM 77 C C . VAL A 1 6 ? 10.728 4.026 0.159 1.00 0.00 ? 6 VAL A C 1
341
+ ATOM 78 O O . VAL A 1 6 ? 10.672 4.319 -1.037 1.00 0.00 ? 6 VAL A O 1
342
+ ATOM 79 C CB . VAL A 1 6 ? 12.859 5.273 0.596 1.00 0.00 ? 6 VAL A CB 1
343
+ ATOM 80 C CG1 . VAL A 1 6 ? 12.115 6.496 1.114 1.00 0.00 ? 6 VAL A CG1 1
344
+ ATOM 81 C CG2 . VAL A 1 6 ? 14.254 5.199 1.202 1.00 0.00 ? 6 VAL A CG2 1
345
+ ATOM 82 H H . VAL A 1 6 ? 13.085 2.653 -0.410 1.00 0.00 ? 6 VAL A H 1
346
+ ATOM 83 H HA . VAL A 1 6 ? 11.874 3.939 1.957 1.00 0.00 ? 6 VAL A HA 1
347
+ ATOM 84 H HB . VAL A 1 6 ? 12.961 5.371 -0.474 1.00 0.00 ? 6 VAL A HB 1
348
+ ATOM 85 H HG11 . VAL A 1 6 ? 11.148 6.556 0.639 1.00 0.00 ? 6 VAL A HG11 1
349
+ ATOM 86 H HG12 . VAL A 1 6 ? 12.684 7.387 0.887 1.00 0.00 ? 6 VAL A HG12 1
350
+ ATOM 87 H HG13 . VAL A 1 6 ? 11.988 6.414 2.183 1.00 0.00 ? 6 VAL A HG13 1
351
+ ATOM 88 H HG21 . VAL A 1 6 ? 14.788 6.115 0.994 1.00 0.00 ? 6 VAL A HG21 1
352
+ ATOM 89 H HG22 . VAL A 1 6 ? 14.789 4.365 0.773 1.00 0.00 ? 6 VAL A HG22 1
353
+ ATOM 90 H HG23 . VAL A 1 6 ? 14.176 5.064 2.272 1.00 0.00 ? 6 VAL A HG23 1
354
+ ATOM 91 N N . ALA A 1 7 ? 9.660 3.688 0.873 1.00 0.00 ? 7 ALA A N 1
355
+ ATOM 92 C CA . ALA A 1 7 ? 8.316 3.755 0.328 1.00 0.00 ? 7 ALA A CA 1
356
+ ATOM 93 C C . ALA A 1 7 ? 7.912 5.199 0.073 1.00 0.00 ? 7 ALA A C 1
357
+ ATOM 94 O O . ALA A 1 7 ? 7.830 6.005 1.002 1.00 0.00 ? 7 ALA A O 1
358
+ ATOM 95 C CB . ALA A 1 7 ? 7.337 3.090 1.282 1.00 0.00 ? 7 ALA A CB 1
359
+ ATOM 96 H H . ALA A 1 7 ? 9.780 3.367 1.794 1.00 0.00 ? 7 ALA A H 1
360
+ ATOM 97 H HA . ALA A 1 7 ? 8.302 3.211 -0.606 1.00 0.00 ? 7 ALA A HA 1
361
+ ATOM 98 H HB1 . ALA A 1 7 ? 7.619 2.056 1.425 1.00 0.00 ? 7 ALA A HB1 1
362
+ ATOM 99 H HB2 . ALA A 1 7 ? 6.341 3.136 0.864 1.00 0.00 ? 7 ALA A HB2 1
363
+ ATOM 100 H HB3 . ALA A 1 7 ? 7.355 3.603 2.231 1.00 0.00 ? 7 ALA A HB3 1
364
+ ATOM 101 N N . GLU A 1 8 ? 7.671 5.523 -1.188 1.00 0.00 ? 8 GLU A N 1
365
+ ATOM 102 C CA . GLU A 1 8 ? 7.298 6.875 -1.569 1.00 0.00 ? 8 GLU A CA 1
366
+ ATOM 103 C C . GLU A 1 8 ? 5.816 7.111 -1.303 1.00 0.00 ? 8 GLU A C 1
367
+ ATOM 104 O O . GLU A 1 8 ? 5.430 8.124 -0.719 1.00 0.00 ? 8 GLU A O 1
368
+ ATOM 105 C CB . GLU A 1 8 ? 7.613 7.122 -3.047 1.00 0.00 ? 8 GLU A CB 1
369
+ ATOM 106 C CG . GLU A 1 8 ? 9.094 7.049 -3.378 1.00 0.00 ? 8 GLU A CG 1
370
+ ATOM 107 C CD . GLU A 1 8 ? 9.908 8.060 -2.600 1.00 0.00 ? 8 GLU A CD 1
371
+ ATOM 108 O OE1 . GLU A 1 8 ? 9.874 9.255 -2.957 1.00 0.00 ? 8 GLU A OE1 1
372
+ ATOM 109 O OE2 . GLU A 1 8 ? 10.566 7.672 -1.616 1.00 0.00 ? 8 GLU A OE2 1
373
+ ATOM 110 H H . GLU A 1 8 ? 7.742 4.835 -1.883 1.00 0.00 ? 8 GLU A H 1
374
+ ATOM 111 H HA . GLU A 1 8 ? 7.881 7.556 -0.968 1.00 0.00 ? 8 GLU A HA 1
375
+ ATOM 112 H HB2 . GLU A 1 8 ? 7.097 6.383 -3.642 1.00 0.00 ? 8 GLU A HB2 1
376
+ ATOM 113 H HB3 . GLU A 1 8 ? 7.253 8.104 -3.320 1.00 0.00 ? 8 GLU A HB3 1
377
+ ATOM 114 H HG2 . GLU A 1 8 ? 9.455 6.059 -3.141 1.00 0.00 ? 8 GLU A HG2 1
378
+ ATOM 115 H HG3 . GLU A 1 8 ? 9.226 7.237 -4.433 1.00 0.00 ? 8 GLU A HG3 1
379
+ ATOM 116 N N . SER A 1 9 ? 4.990 6.159 -1.725 1.00 0.00 ? 9 SER A N 1
380
+ ATOM 117 C CA . SER A 1 9 ? 3.543 6.267 -1.580 1.00 0.00 ? 9 SER A CA 1
381
+ ATOM 118 C C . SER A 1 9 ? 2.874 4.910 -1.784 1.00 0.00 ? 9 SER A C 1
382
+ ATOM 119 O O . SER A 1 9 ? 3.533 3.933 -2.131 1.00 0.00 ? 9 SER A O 1
383
+ ATOM 120 C CB . SER A 1 9 ? 2.999 7.275 -2.595 1.00 0.00 ? 9 SER A CB 1
384
+ ATOM 121 O OG . SER A 1 9 ? 3.580 7.068 -3.871 1.00 0.00 ? 9 SER A OG 1
385
+ ATOM 122 H H . SER A 1 9 ? 5.364 5.354 -2.148 1.00 0.00 ? 9 SER A H 1
386
+ ATOM 123 H HA . SER A 1 9 ? 3.330 6.619 -0.582 1.00 0.00 ? 9 SER A HA 1
387
+ ATOM 124 H HB2 . SER A 1 9 ? 1.928 7.160 -2.676 1.00 0.00 ? 9 SER A HB2 1
388
+ ATOM 125 H HB3 . SER A 1 9 ? 3.229 8.275 -2.265 1.00 0.00 ? 9 SER A HB3 1
389
+ ATOM 126 H HG . SER A 1 9 ? 4.538 7.139 -3.798 1.00 0.00 ? 9 SER A HG 1
390
+ ATOM 127 N N . VAL A 1 10 ? 1.571 4.856 -1.548 1.00 0.00 ? 10 VAL A N 1
391
+ ATOM 128 C CA . VAL A 1 10 ? 0.781 3.665 -1.827 1.00 0.00 ? 10 VAL A CA 1
392
+ ATOM 129 C C . VAL A 1 10 ? -0.253 3.997 -2.894 1.00 0.00 ? 10 VAL A C 1
393
+ ATOM 130 O O . VAL A 1 10 ? -1.045 4.921 -2.720 1.00 0.00 ? 10 VAL A O 1
394
+ ATOM 131 C CB . VAL A 1 10 ? 0.065 3.140 -0.565 1.00 0.00 ? 10 VAL A CB 1
395
+ ATOM 132 C CG1 . VAL A 1 10 ? -0.751 1.900 -0.887 1.00 0.00 ? 10 VAL A CG1 1
396
+ ATOM 133 C CG2 . VAL A 1 10 ? 1.071 2.841 0.536 1.00 0.00 ? 10 VAL A CG2 1
397
+ ATOM 134 H H . VAL A 1 10 ? 1.120 5.644 -1.183 1.00 0.00 ? 10 VAL A H 1
398
+ ATOM 135 H HA . VAL A 1 10 ? 1.444 2.895 -2.199 1.00 0.00 ? 10 VAL A HA 1
399
+ ATOM 136 H HB . VAL A 1 10 ? -0.609 3.906 -0.209 1.00 0.00 ? 10 VAL A HB 1
400
+ ATOM 137 H HG11 . VAL A 1 10 ? -1.255 1.558 0.004 1.00 0.00 ? 10 VAL A HG11 1
401
+ ATOM 138 H HG12 . VAL A 1 10 ? -0.097 1.123 -1.253 1.00 0.00 ? 10 VAL A HG12 1
402
+ ATOM 139 H HG13 . VAL A 1 10 ? -1.484 2.140 -1.645 1.00 0.00 ? 10 VAL A HG13 1
403
+ ATOM 140 H HG21 . VAL A 1 10 ? 0.556 2.441 1.395 1.00 0.00 ? 10 VAL A HG21 1
404
+ ATOM 141 H HG22 . VAL A 1 10 ? 1.580 3.752 0.813 1.00 0.00 ? 10 VAL A HG22 1
405
+ ATOM 142 H HG23 . VAL A 1 10 ? 1.791 2.120 0.178 1.00 0.00 ? 10 VAL A HG23 1
406
+ ATOM 143 N N . ILE A 1 11 ? -0.240 3.261 -3.999 1.00 0.00 ? 11 ILE A N 1
407
+ ATOM 144 C CA . ILE A 1 11 ? -1.066 3.630 -5.148 1.00 0.00 ? 11 ILE A CA 1
408
+ ATOM 145 C C . ILE A 1 11 ? -2.018 2.511 -5.573 1.00 0.00 ? 11 ILE A C 1
409
+ ATOM 146 O O . ILE A 1 11 ? -2.831 2.693 -6.483 1.00 0.00 ? 11 ILE A O 1
410
+ ATOM 147 C CB . ILE A 1 11 ? -0.205 4.063 -6.369 1.00 0.00 ? 11 ILE A CB 1
411
+ ATOM 148 C CG1 . ILE A 1 11 ? 0.429 2.855 -7.092 1.00 0.00 ? 11 ILE A CG1 1
412
+ ATOM 149 C CG2 . ILE A 1 11 ? 0.874 5.051 -5.938 1.00 0.00 ? 11 ILE A CG2 1
413
+ ATOM 150 C CD1 . ILE A 1 11 ? 1.388 2.037 -6.254 1.00 0.00 ? 11 ILE A CD1 1
414
+ ATOM 151 H H . ILE A 1 11 ? 0.331 2.459 -4.043 1.00 0.00 ? 11 ILE A H 1
415
+ ATOM 152 H HA . ILE A 1 11 ? -1.661 4.482 -4.852 1.00 0.00 ? 11 ILE A HA 1
416
+ ATOM 153 H HB . ILE A 1 11 ? -0.854 4.577 -7.061 1.00 0.00 ? 11 ILE A HB 1
417
+ ATOM 154 H HG12 . ILE A 1 11 ? -0.358 2.195 -7.421 1.00 0.00 ? 11 ILE A HG12 1
418
+ ATOM 155 H HG13 . ILE A 1 11 ? 0.969 3.214 -7.957 1.00 0.00 ? 11 ILE A HG13 1
419
+ ATOM 156 H HG21 . ILE A 1 11 ? 1.519 4.585 -5.206 1.00 0.00 ? 11 ILE A HG21 1
420
+ ATOM 157 H HG22 . ILE A 1 11 ? 0.411 5.924 -5.502 1.00 0.00 ? 11 ILE A HG22 1
421
+ ATOM 158 H HG23 . ILE A 1 11 ? 1.458 5.346 -6.798 1.00 0.00 ? 11 ILE A HG23 1
422
+ ATOM 159 H HD11 . ILE A 1 11 ? 0.833 1.488 -5.506 1.00 0.00 ? 11 ILE A HD11 1
423
+ ATOM 160 H HD12 . ILE A 1 11 ? 2.089 2.696 -5.764 1.00 0.00 ? 11 ILE A HD12 1
424
+ ATOM 161 H HD13 . ILE A 1 11 ? 1.925 1.343 -6.886 1.00 0.00 ? 11 ILE A HD13 1
425
+ ATOM 162 N N . GLY A 1 12 ? -1.934 1.365 -4.914 1.00 0.00 ? 12 GLY A N 1
426
+ ATOM 163 C CA . GLY A 1 12 ? -2.771 0.242 -5.293 1.00 0.00 ? 12 GLY A CA 1
427
+ ATOM 164 C C . GLY A 1 12 ? -3.371 -0.461 -4.094 1.00 0.00 ? 12 GLY A C 1
428
+ ATOM 165 O O . GLY A 1 12 ? -2.797 -0.428 -3.004 1.00 0.00 ? 12 GLY A O 1
429
+ ATOM 166 H H . GLY A 1 12 ? -1.312 1.283 -4.162 1.00 0.00 ? 12 GLY A H 1
430
+ ATOM 167 H HA2 . GLY A 1 12 ? -3.569 0.599 -5.924 1.00 0.00 ? 12 GLY A HA2 1
431
+ ATOM 168 H HA3 . GLY A 1 12 ? -2.175 -0.464 -5.849 1.00 0.00 ? 12 GLY A HA3 1
432
+ ATOM 169 N N . LYS A 1 13 ? -4.513 -1.111 -4.296 1.00 0.00 ? 13 LYS A N 1
433
+ ATOM 170 C CA . LYS A 1 13 ? -5.215 -1.788 -3.212 1.00 0.00 ? 13 LYS A CA 1
434
+ ATOM 171 C C . LYS A 1 13 ? -5.954 -3.017 -3.735 1.00 0.00 ? 13 LYS A C 1
435
+ ATOM 172 O O . LYS A 1 13 ? -6.669 -2.937 -4.731 1.00 0.00 ? 13 LYS A O 1
436
+ ATOM 173 C CB . LYS A 1 13 ? -6.210 -0.822 -2.562 1.00 0.00 ? 13 LYS A CB 1
437
+ ATOM 174 C CG . LYS A 1 13 ? -6.931 -1.379 -1.345 1.00 0.00 ? 13 LYS A CG 1
438
+ ATOM 175 C CD . LYS A 1 13 ? -7.928 -0.372 -0.797 1.00 0.00 ? 13 LYS A CD 1
439
+ ATOM 176 C CE . LYS A 1 13 ? -8.547 -0.846 0.507 1.00 0.00 ? 13 LYS A CE 1
440
+ ATOM 177 N NZ . LYS A 1 13 ? -9.513 0.143 1.055 1.00 0.00 ? 13 LYS A NZ 1
441
+ ATOM 178 H H . LYS A 1 13 ? -4.896 -1.139 -5.200 1.00 0.00 ? 13 LYS A H 1
442
+ ATOM 179 H HA . LYS A 1 13 ? -4.486 -2.097 -2.477 1.00 0.00 ? 13 LYS A HA 1
443
+ ATOM 180 H HB2 . LYS A 1 13 ? -5.679 0.067 -2.257 1.00 0.00 ? 13 LYS A HB2 1
444
+ ATOM 181 H HB3 . LYS A 1 13 ? -6.952 -0.549 -3.296 1.00 0.00 ? 13 LYS A HB3 1
445
+ ATOM 182 H HG2 . LYS A 1 13 ? -7.456 -2.279 -1.626 1.00 0.00 ? 13 LYS A HG2 1
446
+ ATOM 183 H HG3 . LYS A 1 13 ? -6.204 -1.605 -0.578 1.00 0.00 ? 13 LYS A HG3 1
447
+ ATOM 184 H HD2 . LYS A 1 13 ? -7.418 0.563 -0.622 1.00 0.00 ? 13 LYS A HD2 1
448
+ ATOM 185 H HD3 . LYS A 1 13 ? -8.713 -0.224 -1.526 1.00 0.00 ? 13 LYS A HD3 1
449
+ ATOM 186 H HE2 . LYS A 1 13 ? -9.062 -1.778 0.331 1.00 0.00 ? 13 LYS A HE2 1
450
+ ATOM 187 H HE3 . LYS A 1 13 ? -7.758 -1.001 1.228 1.00 0.00 ? 13 LYS A HE3 1
451
+ ATOM 188 H HZ1 . LYS A 1 13 ? -9.062 1.079 1.143 1.00 0.00 ? 13 LYS A HZ1 1
452
+ ATOM 189 H HZ2 . LYS A 1 13 ? -9.836 -0.160 2.001 1.00 0.00 ? 13 LYS A HZ2 1
453
+ ATOM 190 H HZ3 . LYS A 1 13 ? -10.343 0.226 0.427 1.00 0.00 ? 13 LYS A HZ3 1
454
+ ATOM 191 N N . ARG A 1 14 ? -5.762 -4.155 -3.079 1.00 0.00 ? 14 ARG A N 1
455
+ ATOM 192 C CA . ARG A 1 14 ? -6.507 -5.366 -3.417 1.00 0.00 ? 14 ARG A CA 1
456
+ ATOM 193 C C . ARG A 1 14 ? -7.235 -5.894 -2.192 1.00 0.00 ? 14 ARG A C 1
457
+ ATOM 194 O O . ARG A 1 14 ? -6.603 -6.350 -1.240 1.00 0.00 ? 14 ARG A O 1
458
+ ATOM 195 C CB . ARG A 1 14 ? -5.588 -6.473 -3.950 1.00 0.00 ? 14 ARG A CB 1
459
+ ATOM 196 C CG . ARG A 1 14 ? -4.802 -6.104 -5.189 1.00 0.00 ? 14 ARG A CG 1
460
+ ATOM 197 C CD . ARG A 1 14 ? -5.715 -5.812 -6.360 1.00 0.00 ? 14 ARG A CD 1
461
+ ATOM 198 N NE . ARG A 1 14 ? -4.962 -5.576 -7.587 1.00 0.00 ? 14 ARG A NE 1
462
+ ATOM 199 C CZ . ARG A 1 14 ? -5.368 -4.769 -8.560 1.00 0.00 ? 14 ARG A CZ 1
463
+ ATOM 200 N NH1 . ARG A 1 14 ? -6.501 -4.090 -8.429 1.00 0.00 ? 14 ARG A NH1 1
464
+ ATOM 201 N NH2 . ARG A 1 14 ? -4.630 -4.627 -9.654 1.00 0.00 ? 14 ARG A NH2 1
465
+ ATOM 202 H H . ARG A 1 14 ? -5.105 -4.185 -2.345 1.00 0.00 ? 14 ARG A H 1
466
+ ATOM 203 H HA . ARG A 1 14 ? -7.234 -5.113 -4.174 1.00 0.00 ? 14 ARG A HA 1
467
+ ATOM 204 H HB2 . ARG A 1 14 ? -4.888 -6.747 -3.178 1.00 0.00 ? 14 ARG A HB2 1
468
+ ATOM 205 H HB3 . ARG A 1 14 ? -6.198 -7.331 -4.191 1.00 0.00 ? 14 ARG A HB3 1
469
+ ATOM 206 H HG2 . ARG A 1 14 ? -4.211 -5.225 -4.978 1.00 0.00 ? 14 ARG A HG2 1
470
+ ATOM 207 H HG3 . ARG A 1 14 ? -4.149 -6.926 -5.448 1.00 0.00 ? 14 ARG A HG3 1
471
+ ATOM 208 H HD2 . ARG A 1 14 ? -6.374 -6.658 -6.507 1.00 0.00 ? 14 ARG A HD2 1
472
+ ATOM 209 H HD3 . ARG A 1 14 ? -6.301 -4.935 -6.130 1.00 0.00 ? 14 ARG A HD3 1
473
+ ATOM 210 H HE . ARG A 1 14 ? -4.105 -6.067 -7.697 1.00 0.00 ? 14 ARG A HE 1
474
+ ATOM 211 H HH11 . ARG A 1 14 ? -7.057 -4.187 -7.593 1.00 0.00 ? 14 ARG A HH11 1
475
+ ATOM 212 H HH12 . ARG A 1 14 ? -6.812 -3.482 -9.162 1.00 0.00 ? 14 ARG A HH12 1
476
+ ATOM 213 H HH21 . ARG A 1 14 ? -3.761 -5.133 -9.752 1.00 0.00 ? 14 ARG A HH21 1
477
+ ATOM 214 H HH22 . ARG A 1 14 ? -4.937 -4.024 -10.401 1.00 0.00 ? 14 ARG A HH22 1
478
+ ATOM 215 N N . VAL A 1 15 ? -8.555 -5.833 -2.212 1.00 0.00 ? 15 VAL A N 1
479
+ ATOM 216 C CA . VAL A 1 15 ? -9.353 -6.385 -1.128 1.00 0.00 ? 15 VAL A CA 1
480
+ ATOM 217 C C . VAL A 1 15 ? -9.844 -7.778 -1.497 1.00 0.00 ? 15 VAL A C 1
481
+ ATOM 218 O O . VAL A 1 15 ? -10.574 -7.941 -2.477 1.00 0.00 ? 15 VAL A O 1
482
+ ATOM 219 C CB . VAL A 1 15 ? -10.568 -5.487 -0.796 1.00 0.00 ? 15 VAL A CB 1
483
+ ATOM 220 C CG1 . VAL A 1 15 ? -11.436 -6.120 0.283 1.00 0.00 ? 15 VAL A CG1 1
484
+ ATOM 221 C CG2 . VAL A 1 15 ? -10.108 -4.103 -0.364 1.00 0.00 ? 15 VAL A CG2 1
485
+ ATOM 222 H H . VAL A 1 15 ? -9.009 -5.411 -2.975 1.00 0.00 ? 15 VAL A H 1
486
+ ATOM 223 H HA . VAL A 1 15 ? -8.727 -6.453 -0.250 1.00 0.00 ? 15 VAL A HA 1
487
+ ATOM 224 H HB . VAL A 1 15 ? -11.164 -5.381 -1.689 1.00 0.00 ? 15 VAL A HB 1
488
+ ATOM 225 H HG11 . VAL A 1 15 ? -10.852 -6.251 1.184 1.00 0.00 ? 15 VAL A HG11 1
489
+ ATOM 226 H HG12 . VAL A 1 15 ? -11.792 -7.082 -0.059 1.00 0.00 ? 15 VAL A HG12 1
490
+ ATOM 227 H HG13 . VAL A 1 15 ? -12.278 -5.479 0.490 1.00 0.00 ? 15 VAL A HG13 1
491
+ ATOM 228 H HG21 . VAL A 1 15 ? -9.435 -4.194 0.477 1.00 0.00 ? 15 VAL A HG21 1
492
+ ATOM 229 H HG22 . VAL A 1 15 ? -10.964 -3.514 -0.075 1.00 0.00 ? 15 VAL A HG22 1
493
+ ATOM 230 H HG23 . VAL A 1 15 ? -9.596 -3.620 -1.182 1.00 0.00 ? 15 VAL A HG23 1
494
+ ATOM 231 N N . GLY A 1 16 ? -9.428 -8.784 -0.737 1.00 0.00 ? 16 GLY A N 1
495
+ ATOM 232 C CA . GLY A 1 16 ? -9.911 -10.124 -0.985 1.00 0.00 ? 16 GLY A CA 1
496
+ ATOM 233 C C . GLY A 1 16 ? -11.153 -10.431 -0.176 1.00 0.00 ? 16 GLY A C 1
497
+ ATOM 234 O O . GLY A 1 16 ? -11.138 -10.350 1.052 1.00 0.00 ? 16 GLY A O 1
498
+ ATOM 235 H H . GLY A 1 16 ? -8.796 -8.615 -0.003 1.00 0.00 ? 16 GLY A H 1
499
+ ATOM 236 H HA2 . GLY A 1 16 ? -10.141 -10.225 -2.037 1.00 0.00 ? 16 GLY A HA2 1
500
+ ATOM 237 H HA3 . GLY A 1 16 ? -9.138 -10.832 -0.723 1.00 0.00 ? 16 GLY A HA3 1
501
+ ATOM 238 N N . ASP A 1 17 ? -12.225 -10.783 -0.864 1.00 0.00 ? 17 ASP A N 1
502
+ ATOM 239 C CA . ASP A 1 17 ? -13.498 -11.068 -0.216 1.00 0.00 ? 17 ASP A CA 1
503
+ ATOM 240 C C . ASP A 1 17 ? -13.532 -12.502 0.287 1.00 0.00 ? 17 ASP A C 1
504
+ ATOM 241 O O . ASP A 1 17 ? -14.083 -12.787 1.348 1.00 0.00 ? 17 ASP A O 1
505
+ ATOM 242 C CB . ASP A 1 17 ? -14.665 -10.831 -1.178 1.00 0.00 ? 17 ASP A CB 1
506
+ ATOM 243 C CG . ASP A 1 17 ? -14.700 -9.417 -1.724 1.00 0.00 ? 17 ASP A CG 1
507
+ ATOM 244 O OD1 . ASP A 1 17 ? -15.298 -8.533 -1.074 1.00 0.00 ? 17 ASP A OD1 1
508
+ ATOM 245 O OD2 . ASP A 1 17 ? -14.136 -9.187 -2.816 1.00 0.00 ? 17 ASP A OD2 1
509
+ ATOM 246 H H . ASP A 1 17 ? -12.161 -10.858 -1.841 1.00 0.00 ? 17 ASP A H 1
510
+ ATOM 247 H HA . ASP A 1 17 ? -13.598 -10.400 0.629 1.00 0.00 ? 17 ASP A HA 1
511
+ ATOM 248 H HB2 . ASP A 1 17 ? -14.581 -11.512 -2.012 1.00 0.00 ? 17 ASP A HB2 1
512
+ ATOM 249 H HB3 . ASP A 1 17 ? -15.595 -11.019 -0.660 1.00 0.00 ? 17 ASP A HB3 1
513
+ ATOM 250 N N . ASP A 1 18 ? -12.910 -13.400 -0.470 1.00 0.00 ? 18 ASP A N 1
514
+ ATOM 251 C CA . ASP A 1 18 ? -12.974 -14.834 -0.186 1.00 0.00 ? 18 ASP A CA 1
515
+ ATOM 252 C C . ASP A 1 18 ? -11.935 -15.253 0.862 1.00 0.00 ? 18 ASP A C 1
516
+ ATOM 253 O O . ASP A 1 18 ? -11.561 -16.420 0.959 1.00 0.00 ? 18 ASP A O 1
517
+ ATOM 254 C CB . ASP A 1 18 ? -12.795 -15.636 -1.484 1.00 0.00 ? 18 ASP A CB 1
518
+ ATOM 255 C CG . ASP A 1 18 ? -13.141 -17.106 -1.326 1.00 0.00 ? 18 ASP A CG 1
519
+ ATOM 256 O OD1 . ASP A 1 18 ? -14.333 -17.425 -1.124 1.00 0.00 ? 18 ASP A OD1 1
520
+ ATOM 257 O OD2 . ASP A 1 18 ? -12.227 -17.955 -1.414 1.00 0.00 ? 18 ASP A OD2 1
521
+ ATOM 258 H H . ASP A 1 18 ? -12.400 -13.092 -1.254 1.00 0.00 ? 18 ASP A H 1
522
+ ATOM 259 H HA . ASP A 1 18 ? -13.957 -15.041 0.211 1.00 0.00 ? 18 ASP A HA 1
523
+ ATOM 260 H HB2 . ASP A 1 18 ? -13.435 -15.218 -2.247 1.00 0.00 ? 18 ASP A HB2 1
524
+ ATOM 261 H HB3 . ASP A 1 18 ? -11.766 -15.560 -1.806 1.00 0.00 ? 18 ASP A HB3 1
525
+ ATOM 262 N N . GLY A 1 19 ? -11.468 -14.295 1.649 1.00 0.00 ? 19 GLY A N 1
526
+ ATOM 263 C CA . GLY A 1 19 ? -10.528 -14.611 2.710 1.00 0.00 ? 19 GLY A CA 1
527
+ ATOM 264 C C . GLY A 1 19 ? -9.099 -14.256 2.359 1.00 0.00 ? 19 GLY A C 1
528
+ ATOM 265 O O . GLY A 1 19 ? -8.163 -14.669 3.044 1.00 0.00 ? 19 GLY A O 1
529
+ ATOM 266 H H . GLY A 1 19 ? -11.775 -13.374 1.524 1.00 0.00 ? 19 GLY A H 1
530
+ ATOM 267 H HA2 . GLY A 1 19 ? -10.814 -14.070 3.601 1.00 0.00 ? 19 GLY A HA2 1
531
+ ATOM 268 H HA3 . GLY A 1 19 ? -10.582 -15.670 2.915 1.00 0.00 ? 19 GLY A HA3 1
532
+ ATOM 269 N N . LYS A 1 20 ? -8.930 -13.496 1.290 1.00 0.00 ? 20 LYS A N 1
533
+ ATOM 270 C CA . LYS A 1 20 ? -7.613 -13.038 0.883 1.00 0.00 ? 20 LYS A CA 1
534
+ ATOM 271 C C . LYS A 1 20 ? -7.263 -11.747 1.614 1.00 0.00 ? 20 LYS A C 1
535
+ ATOM 272 O O . LYS A 1 20 ? -8.085 -10.835 1.703 1.00 0.00 ? 20 LYS A O 1
536
+ ATOM 273 C CB . LYS A 1 20 ? -7.570 -12.820 -0.636 1.00 0.00 ? 20 LYS A CB 1
537
+ ATOM 274 C CG . LYS A 1 20 ? -6.288 -12.166 -1.130 1.00 0.00 ? 20 LYS A CG 1
538
+ ATOM 275 C CD . LYS A 1 20 ? -5.058 -12.974 -0.751 1.00 0.00 ? 20 LYS A CD 1
539
+ ATOM 276 C CE . LYS A 1 20 ? -3.776 -12.202 -1.031 1.00 0.00 ? 20 LYS A CE 1
540
+ ATOM 277 N NZ . LYS A 1 20 ? -3.511 -12.049 -2.486 1.00 0.00 ? 20 LYS A NZ 1
541
+ ATOM 278 H H . LYS A 1 20 ? -9.709 -13.228 0.769 1.00 0.00 ? 20 LYS A H 1
542
+ ATOM 279 H HA . LYS A 1 20 ? -6.894 -13.798 1.153 1.00 0.00 ? 20 LYS A HA 1
543
+ ATOM 280 H HB2 . LYS A 1 20 ? -7.671 -13.778 -1.126 1.00 0.00 ? 20 LYS A HB2 1
544
+ ATOM 281 H HB3 . LYS A 1 20 ? -8.402 -12.193 -0.922 1.00 0.00 ? 20 LYS A HB3 1
545
+ ATOM 282 H HG2 . LYS A 1 20 ? -6.332 -12.082 -2.205 1.00 0.00 ? 20 LYS A HG2 1
546
+ ATOM 283 H HG3 . LYS A 1 20 ? -6.211 -11.181 -0.693 1.00 0.00 ? 20 LYS A HG3 1
547
+ ATOM 284 H HD2 . LYS A 1 20 ? -5.106 -13.208 0.303 1.00 0.00 ? 20 LYS A HD2 1
548
+ ATOM 285 H HD3 . LYS A 1 20 ? -5.051 -13.888 -1.324 1.00 0.00 ? 20 LYS A HD3 1
549
+ ATOM 286 H HE2 . LYS A 1 20 ? -3.861 -11.221 -0.590 1.00 0.00 ? 20 LYS A HE2 1
550
+ ATOM 287 H HE3 . LYS A 1 20 ? -2.951 -12.730 -0.576 1.00 0.00 ? 20 LYS A HE3 1
551
+ ATOM 288 H HZ1 . LYS A 1 20 ? -3.131 -12.939 -2.875 1.00 0.00 ? 20 LYS A HZ1 1
552
+ ATOM 289 H HZ2 . LYS A 1 20 ? -2.817 -11.285 -2.645 1.00 0.00 ? 20 LYS A HZ2 1
553
+ ATOM 290 H HZ3 . LYS A 1 20 ? -4.392 -11.812 -2.992 1.00 0.00 ? 20 LYS A HZ3 1
554
+ ATOM 291 N N . THR A 1 21 ? -6.048 -11.691 2.144 1.00 0.00 ? 21 THR A N 1
555
+ ATOM 292 C CA . THR A 1 21 ? -5.558 -10.506 2.827 1.00 0.00 ? 21 THR A CA 1
556
+ ATOM 293 C C . THR A 1 21 ? -5.569 -9.301 1.894 1.00 0.00 ? 21 THR A C 1
557
+ ATOM 294 O O . THR A 1 21 ? -5.225 -9.412 0.714 1.00 0.00 ? 21 THR A O 1
558
+ ATOM 295 C CB . THR A 1 21 ? -4.122 -10.725 3.345 1.00 0.00 ? 21 THR A CB 1
559
+ ATOM 296 O OG1 . THR A 1 21 ? -4.073 -11.884 4.188 1.00 0.00 ? 21 THR A OG1 1
560
+ ATOM 297 C CG2 . THR A 1 21 ? -3.631 -9.511 4.118 1.00 0.00 ? 21 THR A CG2 1
561
+ ATOM 298 H H . THR A 1 21 ? -5.461 -12.473 2.079 1.00 0.00 ? 21 THR A H 1
562
+ ATOM 299 H HA . THR A 1 21 ? -6.203 -10.310 3.672 1.00 0.00 ? 21 THR A HA 1
563
+ ATOM 300 H HB . THR A 1 21 ? -3.472 -10.881 2.497 1.00 0.00 ? 21 THR A HB 1
564
+ ATOM 301 H HG1 . THR A 1 21 ? -3.625 -11.659 5.019 1.00 0.00 ? 21 THR A HG1 1
565
+ ATOM 302 H HG21 . THR A 1 21 ? -3.671 -8.640 3.479 1.00 0.00 ? 21 THR A HG21 1
566
+ ATOM 303 H HG22 . THR A 1 21 ? -2.614 -9.675 4.440 1.00 0.00 ? 21 THR A HG22 1
567
+ ATOM 304 H HG23 . THR A 1 21 ? -4.261 -9.354 4.981 1.00 0.00 ? 21 THR A HG23 1
568
+ ATOM 305 N N . ILE A 1 22 ? -5.974 -8.158 2.428 1.00 0.00 ? 22 ILE A N 1
569
+ ATOM 306 C CA . ILE A 1 22 ? -5.992 -6.924 1.665 1.00 0.00 ? 22 ILE A CA 1
570
+ ATOM 307 C C . ILE A 1 22 ? -4.572 -6.404 1.480 1.00 0.00 ? 22 ILE A C 1
571
+ ATOM 308 O O . ILE A 1 22 ? -3.891 -6.055 2.448 1.00 0.00 ? 22 ILE A O 1
572
+ ATOM 309 C CB . ILE A 1 22 ? -6.854 -5.844 2.353 1.00 0.00 ? 22 ILE A CB 1
573
+ ATOM 310 C CG1 . ILE A 1 22 ? -8.276 -6.368 2.584 1.00 0.00 ? 22 ILE A CG1 1
574
+ ATOM 311 C CG2 . ILE A 1 22 ? -6.877 -4.569 1.516 1.00 0.00 ? 22 ILE A CG2 1
575
+ ATOM 312 C CD1 . ILE A 1 22 ? -9.174 -5.390 3.311 1.00 0.00 ? 22 ILE A CD1 1
576
+ ATOM 313 H H . ILE A 1 22 ? -6.269 -8.147 3.364 1.00 0.00 ? 22 ILE A H 1
577
+ ATOM 314 H HA . ILE A 1 22 ? -6.417 -7.136 0.694 1.00 0.00 ? 22 ILE A HA 1
578
+ ATOM 315 H HB . ILE A 1 22 ? -6.405 -5.612 3.308 1.00 0.00 ? 22 ILE A HB 1
579
+ ATOM 316 H HG12 . ILE A 1 22 ? -8.734 -6.586 1.631 1.00 0.00 ? 22 ILE A HG12 1
580
+ ATOM 317 H HG13 . ILE A 1 22 ? -8.228 -7.273 3.171 1.00 0.00 ? 22 ILE A HG13 1
581
+ ATOM 318 H HG21 . ILE A 1 22 ? -7.285 -4.787 0.539 1.00 0.00 ? 22 ILE A HG21 1
582
+ ATOM 319 H HG22 . ILE A 1 22 ? -5.872 -4.191 1.409 1.00 0.00 ? 22 ILE A HG22 1
583
+ ATOM 320 H HG23 . ILE A 1 22 ? -7.492 -3.828 2.005 1.00 0.00 ? 22 ILE A HG23 1
584
+ ATOM 321 H HD11 . ILE A 1 22 ? -9.217 -4.464 2.759 1.00 0.00 ? 22 ILE A HD11 1
585
+ ATOM 322 H HD12 . ILE A 1 22 ? -8.775 -5.203 4.298 1.00 0.00 ? 22 ILE A HD12 1
586
+ ATOM 323 H HD13 . ILE A 1 22 ? -10.168 -5.805 3.397 1.00 0.00 ? 22 ILE A HD13 1
587
+ ATOM 324 N N . GLU A 1 23 ? -4.132 -6.367 0.233 1.00 0.00 ? 23 GLU A N 1
588
+ ATOM 325 C CA . GLU A 1 23 ? -2.778 -5.953 -0.085 1.00 0.00 ? 23 GLU A CA 1
589
+ ATOM 326 C C . GLU A 1 23 ? -2.750 -4.535 -0.616 1.00 0.00 ? 23 GLU A C 1
590
+ ATOM 327 O O . GLU A 1 23 ? -3.711 -4.058 -1.223 1.00 0.00 ? 23 GLU A O 1
591
+ ATOM 328 C CB . GLU A 1 23 ? -2.152 -6.895 -1.111 1.00 0.00 ? 23 GLU A CB 1
592
+ ATOM 329 C CG . GLU A 1 23 ? -1.913 -8.291 -0.575 1.00 0.00 ? 23 GLU A CG 1
593
+ ATOM 330 C CD . GLU A 1 23 ? -1.446 -9.259 -1.644 1.00 0.00 ? 23 GLU A CD 1
594
+ ATOM 331 O OE1 . GLU A 1 23 ? -2.262 -9.640 -2.511 1.00 0.00 ? 23 GLU A OE1 1
595
+ ATOM 332 O OE2 . GLU A 1 23 ? -0.262 -9.656 -1.618 1.00 0.00 ? 23 GLU A OE2 1
596
+ ATOM 333 H H . GLU A 1 23 ? -4.743 -6.614 -0.495 1.00 0.00 ? 23 GLU A H 1
597
+ ATOM 334 H HA . GLU A 1 23 ? -2.199 -5.995 0.824 1.00 0.00 ? 23 GLU A HA 1
598
+ ATOM 335 H HB2 . GLU A 1 23 ? -2.808 -6.966 -1.966 1.00 0.00 ? 23 GLU A HB2 1
599
+ ATOM 336 H HB3 . GLU A 1 23 ? -1.204 -6.486 -1.427 1.00 0.00 ? 23 GLU A HB3 1
600
+ ATOM 337 H HG2 . GLU A 1 23 ? -1.157 -8.239 0.194 1.00 0.00 ? 23 GLU A HG2 1
601
+ ATOM 338 H HG3 . GLU A 1 23 ? -2.831 -8.653 -0.148 1.00 0.00 ? 23 GLU A HG3 1
602
+ ATOM 339 N N . TYR A 1 24 ? -1.636 -3.879 -0.383 1.00 0.00 ? 24 TYR A N 1
603
+ ATOM 340 C CA . TYR A 1 24 ? -1.419 -2.525 -0.852 1.00 0.00 ? 24 TYR A CA 1
604
+ ATOM 341 C C . TYR A 1 24 ? -0.178 -2.458 -1.719 1.00 0.00 ? 24 TYR A C 1
605
+ ATOM 342 O O . TYR A 1 24 ? 0.891 -2.926 -1.326 1.00 0.00 ? 24 TYR A O 1
606
+ ATOM 343 C CB . TYR A 1 24 ? -1.274 -1.560 0.322 1.00 0.00 ? 24 TYR A CB 1
607
+ ATOM 344 C CG . TYR A 1 24 ? -2.580 -0.988 0.807 1.00 0.00 ? 24 TYR A CG 1
608
+ ATOM 345 C CD1 . TYR A 1 24 ? -3.273 -0.069 0.034 1.00 0.00 ? 24 TYR A CD1 1
609
+ ATOM 346 C CD2 . TYR A 1 24 ? -3.109 -1.348 2.036 1.00 0.00 ? 24 TYR A CD2 1
610
+ ATOM 347 C CE1 . TYR A 1 24 ? -4.462 0.478 0.476 1.00 0.00 ? 24 TYR A CE1 1
611
+ ATOM 348 C CE2 . TYR A 1 24 ? -4.299 -0.808 2.484 1.00 0.00 ? 24 TYR A CE2 1
612
+ ATOM 349 C CZ . TYR A 1 24 ? -4.970 0.105 1.702 1.00 0.00 ? 24 TYR A CZ 1
613
+ ATOM 350 O OH . TYR A 1 24 ? -6.155 0.648 2.147 1.00 0.00 ? 24 TYR A OH 1
614
+ ATOM 351 H H . TYR A 1 24 ? -0.923 -4.333 0.121 1.00 0.00 ? 24 TYR A H 1
615
+ ATOM 352 H HA . TYR A 1 24 ? -2.275 -2.235 -1.442 1.00 0.00 ? 24 TYR A HA 1
616
+ ATOM 353 H HB2 . TYR A 1 24 ? -0.814 -2.077 1.151 1.00 0.00 ? 24 TYR A HB2 1
617
+ ATOM 354 H HB3 . TYR A 1 24 ? -0.641 -0.736 0.023 1.00 0.00 ? 24 TYR A HB3 1
618
+ ATOM 355 H HD1 . TYR A 1 24 ? -2.868 0.218 -0.930 1.00 0.00 ? 24 TYR A HD1 1
619
+ ATOM 356 H HD2 . TYR A 1 24 ? -2.579 -2.064 2.648 1.00 0.00 ? 24 TYR A HD2 1
620
+ ATOM 357 H HE1 . TYR A 1 24 ? -4.988 1.192 -0.142 1.00 0.00 ? 24 TYR A HE1 1
621
+ ATOM 358 H HE2 . TYR A 1 24 ? -4.696 -1.101 3.445 1.00 0.00 ? 24 TYR A HE2 1
622
+ ATOM 359 H HH . TYR A 1 24 ? -6.055 0.927 3.063 1.00 0.00 ? 24 TYR A HH 1
623
+ ATOM 360 N N . LEU A 1 25 ? -0.323 -1.883 -2.899 1.00 0.00 ? 25 LEU A N 1
624
+ ATOM 361 C CA . LEU A 1 25 ? 0.808 -1.703 -3.782 1.00 0.00 ? 25 LEU A CA 1
625
+ ATOM 362 C C . LEU A 1 25 ? 1.590 -0.493 -3.311 1.00 0.00 ? 25 LEU A C 1
626
+ ATOM 363 O O . LEU A 1 25 ? 1.153 0.653 -3.480 1.00 0.00 ? 25 LEU A O 1
627
+ ATOM 364 C CB . LEU A 1 25 ? 0.352 -1.508 -5.233 1.00 0.00 ? 25 LEU A CB 1
628
+ ATOM 365 C CG . LEU A 1 25 ? 1.311 -2.031 -6.318 1.00 0.00 ? 25 LEU A CG 1
629
+ ATOM 366 C CD1 . LEU A 1 25 ? 0.851 -1.581 -7.696 1.00 0.00 ? 25 LEU A CD1 1
630
+ ATOM 367 C CD2 . LEU A 1 25 ? 2.745 -1.588 -6.064 1.00 0.00 ? 25 LEU A CD2 1
631
+ ATOM 368 H H . LEU A 1 25 ? -1.206 -1.560 -3.171 1.00 0.00 ? 25 LEU A H 1
632
+ ATOM 369 H HA . LEU A 1 25 ? 1.434 -2.581 -3.714 1.00 0.00 ? 25 LEU A HA 1
633
+ ATOM 370 H HB2 . LEU A 1 25 ? -0.598 -2.007 -5.354 1.00 0.00 ? 25 LEU A HB2 1
634
+ ATOM 371 H HB3 . LEU A 1 25 ? 0.204 -0.454 -5.399 1.00 0.00 ? 25 LEU A HB3 1
635
+ ATOM 372 H HG . LEU A 1 25 ? 1.293 -3.112 -6.306 1.00 0.00 ? 25 LEU A HG 1
636
+ ATOM 373 H HD11 . LEU A 1 25 ? 1.553 -1.925 -8.442 1.00 0.00 ? 25 LEU A HD11 1
637
+ ATOM 374 H HD12 . LEU A 1 25 ? 0.797 -0.504 -7.723 1.00 0.00 ? 25 LEU A HD12 1
638
+ ATOM 375 H HD13 . LEU A 1 25 ? -0.125 -1.995 -7.902 1.00 0.00 ? 25 LEU A HD13 1
639
+ ATOM 376 H HD21 . LEU A 1 25 ? 3.372 -1.916 -6.879 1.00 0.00 ? 25 LEU A HD21 1
640
+ ATOM 377 H HD22 . LEU A 1 25 ? 3.096 -2.025 -5.140 1.00 0.00 ? 25 LEU A HD22 1
641
+ ATOM 378 H HD23 . LEU A 1 25 ? 2.781 -0.511 -5.991 1.00 0.00 ? 25 LEU A HD23 1
642
+ ATOM 379 N N . VAL A 1 26 ? 2.721 -0.751 -2.689 1.00 0.00 ? 26 VAL A N 1
643
+ ATOM 380 C CA . VAL A 1 26 ? 3.558 0.311 -2.189 1.00 0.00 ? 26 VAL A CA 1
644
+ ATOM 381 C C . VAL A 1 26 ? 4.567 0.701 -3.252 1.00 0.00 ? 26 VAL A C 1
645
+ ATOM 382 O O . VAL A 1 26 ? 5.341 -0.133 -3.724 1.00 0.00 ? 26 VAL A O 1
646
+ ATOM 383 C CB . VAL A 1 26 ? 4.301 -0.099 -0.904 1.00 0.00 ? 26 VAL A CB 1
647
+ ATOM 384 C CG1 . VAL A 1 26 ? 5.019 1.095 -0.303 1.00 0.00 ? 26 VAL A CG1 1
648
+ ATOM 385 C CG2 . VAL A 1 26 ? 3.345 -0.713 0.106 1.00 0.00 ? 26 VAL A CG2 1
649
+ ATOM 386 H H . VAL A 1 26 ? 3.008 -1.684 -2.575 1.00 0.00 ? 26 VAL A H 1
650
+ ATOM 387 H HA . VAL A 1 26 ? 2.928 1.162 -1.966 1.00 0.00 ? 26 VAL A HA 1
651
+ ATOM 388 H HB . VAL A 1 26 ? 5.040 -0.843 -1.163 1.00 0.00 ? 26 VAL A HB 1
652
+ ATOM 389 H HG11 . VAL A 1 26 ? 4.306 1.880 -0.107 1.00 0.00 ? 26 VAL A HG11 1
653
+ ATOM 390 H HG12 . VAL A 1 26 ? 5.768 1.451 -0.995 1.00 0.00 ? 26 VAL A HG12 1
654
+ ATOM 391 H HG13 . VAL A 1 26 ? 5.494 0.800 0.621 1.00 0.00 ? 26 VAL A HG13 1
655
+ ATOM 392 H HG21 . VAL A 1 26 ? 2.919 -1.618 -0.304 1.00 0.00 ? 26 VAL A HG21 1
656
+ ATOM 393 H HG22 . VAL A 1 26 ? 2.555 -0.012 0.328 1.00 0.00 ? 26 VAL A HG22 1
657
+ ATOM 394 H HG23 . VAL A 1 26 ? 3.885 -0.947 1.011 1.00 0.00 ? 26 VAL A HG23 1
658
+ ATOM 395 N N . LYS A 1 27 ? 4.537 1.957 -3.647 1.00 0.00 ? 27 LYS A N 1
659
+ ATOM 396 C CA . LYS A 1 27 ? 5.457 2.456 -4.642 1.00 0.00 ? 27 LYS A CA 1
660
+ ATOM 397 C C . LYS A 1 27 ? 6.664 3.054 -3.951 1.00 0.00 ? 27 LYS A C 1
661
+ ATOM 398 O O . LYS A 1 27 ? 6.621 4.175 -3.444 1.00 0.00 ? 27 LYS A O 1
662
+ ATOM 399 C CB . LYS A 1 27 ? 4.774 3.487 -5.531 1.00 0.00 ? 27 LYS A CB 1
663
+ ATOM 400 C CG . LYS A 1 27 ? 5.524 3.773 -6.815 1.00 0.00 ? 27 LYS A CG 1
664
+ ATOM 401 C CD . LYS A 1 27 ? 4.684 4.611 -7.752 1.00 0.00 ? 27 LYS A CD 1
665
+ ATOM 402 C CE . LYS A 1 27 ? 5.336 4.745 -9.116 1.00 0.00 ? 27 LYS A CE 1
666
+ ATOM 403 N NZ . LYS A 1 27 ? 4.514 5.559 -10.047 1.00 0.00 ? 27 LYS A NZ 1
667
+ ATOM 404 H H . LYS A 1 27 ? 3.883 2.573 -3.245 1.00 0.00 ? 27 LYS A H 1
668
+ ATOM 405 H HA . LYS A 1 27 ? 5.778 1.619 -5.249 1.00 0.00 ? 27 LYS A HA 1
669
+ ATOM 406 H HB2 . LYS A 1 27 ? 3.791 3.129 -5.788 1.00 0.00 ? 27 LYS A HB2 1
670
+ ATOM 407 H HB3 . LYS A 1 27 ? 4.678 4.412 -4.981 1.00 0.00 ? 27 LYS A HB3 1
671
+ ATOM 408 H HG2 . LYS A 1 27 ? 6.432 4.308 -6.581 1.00 0.00 ? 27 LYS A HG2 1
672
+ ATOM 409 H HG3 . LYS A 1 27 ? 5.766 2.838 -7.296 1.00 0.00 ? 27 LYS A HG3 1
673
+ ATOM 410 H HD2 . LYS A 1 27 ? 3.720 4.139 -7.869 1.00 0.00 ? 27 LYS A HD2 1
674
+ ATOM 411 H HD3 . LYS A 1 27 ? 4.558 5.594 -7.323 1.00 0.00 ? 27 LYS A HD3 1
675
+ ATOM 412 H HE2 . LYS A 1 27 ? 6.299 5.215 -8.993 1.00 0.00 ? 27 LYS A HE2 1
676
+ ATOM 413 H HE3 . LYS A 1 27 ? 5.469 3.758 -9.534 1.00 0.00 ? 27 LYS A HE3 1
677
+ ATOM 414 H HZ1 . LYS A 1 27 ? 3.559 5.147 -10.140 1.00 0.00 ? 27 LYS A HZ1 1
678
+ ATOM 415 H HZ2 . LYS A 1 27 ? 4.957 5.586 -10.990 1.00 0.00 ? 27 LYS A HZ2 1
679
+ ATOM 416 H HZ3 . LYS A 1 27 ? 4.427 6.535 -9.692 1.00 0.00 ? 27 LYS A HZ3 1
680
+ ATOM 417 N N . TRP A 1 28 ? 7.721 2.273 -3.897 1.00 0.00 ? 28 TRP A N 1
681
+ ATOM 418 C CA . TRP A 1 28 ? 8.964 2.690 -3.273 1.00 0.00 ? 28 TRP A CA 1
682
+ ATOM 419 C C . TRP A 1 28 ? 9.767 3.519 -4.266 1.00 0.00 ? 28 TRP A C 1
683
+ ATOM 420 O O . TRP A 1 28 ? 9.374 3.656 -5.421 1.00 0.00 ? 28 TRP A O 1
684
+ ATOM 421 C CB . TRP A 1 28 ? 9.775 1.453 -2.840 1.00 0.00 ? 28 TRP A CB 1
685
+ ATOM 422 C CG . TRP A 1 28 ? 9.013 0.501 -1.955 1.00 0.00 ? 28 TRP A CG 1
686
+ ATOM 423 C CD1 . TRP A 1 28 ? 8.009 -0.343 -2.329 1.00 0.00 ? 28 TRP A CD1 1
687
+ ATOM 424 C CD2 . TRP A 1 28 ? 9.207 0.287 -0.553 1.00 0.00 ? 28 TRP A CD2 1
688
+ ATOM 425 N NE1 . TRP A 1 28 ? 7.550 -1.045 -1.241 1.00 0.00 ? 28 TRP A NE1 1
689
+ ATOM 426 C CE2 . TRP A 1 28 ? 8.272 -0.676 -0.140 1.00 0.00 ? 28 TRP A CE2 1
690
+ ATOM 427 C CE3 . TRP A 1 28 ? 10.074 0.822 0.393 1.00 0.00 ? 28 TRP A CE3 1
691
+ ATOM 428 C CZ2 . TRP A 1 28 ? 8.186 -1.107 1.181 1.00 0.00 ? 28 TRP A CZ2 1
692
+ ATOM 429 C CZ3 . TRP A 1 28 ? 9.989 0.393 1.702 1.00 0.00 ? 28 TRP A CZ3 1
693
+ ATOM 430 C CH2 . TRP A 1 28 ? 9.050 -0.562 2.086 1.00 0.00 ? 28 TRP A CH2 1
694
+ ATOM 431 H H . TRP A 1 28 ? 7.666 1.385 -4.301 1.00 0.00 ? 28 TRP A H 1
695
+ ATOM 432 H HA . TRP A 1 28 ? 8.730 3.293 -2.408 1.00 0.00 ? 28 TRP A HA 1
696
+ ATOM 433 H HB2 . TRP A 1 28 ? 10.081 0.910 -3.719 1.00 0.00 ? 28 TRP A HB2 1
697
+ ATOM 434 H HB3 . TRP A 1 28 ? 10.655 1.781 -2.301 1.00 0.00 ? 28 TRP A HB3 1
698
+ ATOM 435 H HD1 . TRP A 1 28 ? 7.628 -0.424 -3.335 1.00 0.00 ? 28 TRP A HD1 1
699
+ ATOM 436 H HE1 . TRP A 1 28 ? 6.826 -1.705 -1.252 1.00 0.00 ? 28 TRP A HE1 1
700
+ ATOM 437 H HE3 . TRP A 1 28 ? 10.812 1.563 0.117 1.00 0.00 ? 28 TRP A HE3 1
701
+ ATOM 438 H HZ2 . TRP A 1 28 ? 7.466 -1.835 1.496 1.00 0.00 ? 28 TRP A HZ2 1
702
+ ATOM 439 H HZ3 . TRP A 1 28 ? 10.656 0.801 2.447 1.00 0.00 ? 28 TRP A HZ3 1
703
+ ATOM 440 H HH2 . TRP A 1 28 ? 9.018 -0.869 3.121 1.00 0.00 ? 28 TRP A HH2 1
704
+ ATOM 441 N N . THR A 1 29 ? 10.883 4.075 -3.830 1.00 0.00 ? 29 THR A N 1
705
+ ATOM 442 C CA . THR A 1 29 ? 11.826 4.667 -4.767 1.00 0.00 ? 29 THR A CA 1
706
+ ATOM 443 C C . THR A 1 29 ? 12.528 3.533 -5.516 1.00 0.00 ? 29 THR A C 1
707
+ ATOM 444 O O . THR A 1 29 ? 13.195 3.728 -6.535 1.00 0.00 ? 29 THR A O 1
708
+ ATOM 445 C CB . THR A 1 29 ? 12.846 5.582 -4.049 1.00 0.00 ? 29 THR A CB 1
709
+ ATOM 446 O OG1 . THR A 1 29 ? 13.865 6.014 -4.959 1.00 0.00 ? 29 THR A OG1 1
710
+ ATOM 447 C CG2 . THR A 1 29 ? 13.474 4.876 -2.860 1.00 0.00 ? 29 THR A CG2 1
711
+ ATOM 448 H H . THR A 1 29 ? 11.075 4.094 -2.865 1.00 0.00 ? 29 THR A H 1
712
+ ATOM 449 H HA . THR A 1 29 ? 11.265 5.263 -5.476 1.00 0.00 ? 29 THR A HA 1
713
+ ATOM 450 H HB . THR A 1 29 ? 12.319 6.453 -3.686 1.00 0.00 ? 29 THR A HB 1
714
+ ATOM 451 H HG1 . THR A 1 29 ? 14.041 5.311 -5.597 1.00 0.00 ? 29 THR A HG1 1
715
+ ATOM 452 H HG21 . THR A 1 29 ? 13.901 3.939 -3.182 1.00 0.00 ? 29 THR A HG21 1
716
+ ATOM 453 H HG22 . THR A 1 29 ? 12.714 4.692 -2.113 1.00 0.00 ? 29 THR A HG22 1
717
+ ATOM 454 H HG23 . THR A 1 29 ? 14.247 5.500 -2.440 1.00 0.00 ? 29 THR A HG23 1
718
+ ATOM 455 N N . ASP A 1 30 ? 12.326 2.340 -4.976 1.00 0.00 ? 30 ASP A N 1
719
+ ATOM 456 C CA . ASP A 1 30 ? 12.763 1.083 -5.563 1.00 0.00 ? 30 ASP A CA 1
720
+ ATOM 457 C C . ASP A 1 30 ? 11.648 0.520 -6.448 1.00 0.00 ? 30 ASP A C 1
721
+ ATOM 458 O O . ASP A 1 30 ? 11.585 -0.682 -6.695 1.00 0.00 ? 30 ASP A O 1
722
+ ATOM 459 C CB . ASP A 1 30 ? 13.094 0.081 -4.451 1.00 0.00 ? 30 ASP A CB 1
723
+ ATOM 460 C CG . ASP A 1 30 ? 13.904 0.702 -3.329 1.00 0.00 ? 30 ASP A CG 1
724
+ ATOM 461 O OD1 . ASP A 1 30 ? 13.298 1.352 -2.447 1.00 0.00 ? 30 ASP A OD1 1
725
+ ATOM 462 O OD2 . ASP A 1 30 ? 15.142 0.552 -3.329 1.00 0.00 ? 30 ASP A OD2 1
726
+ ATOM 463 H H . ASP A 1 30 ? 11.869 2.304 -4.110 1.00 0.00 ? 30 ASP A H 1
727
+ ATOM 464 H HA . ASP A 1 30 ? 13.640 1.267 -6.161 1.00 0.00 ? 30 ASP A HA 1
728
+ ATOM 465 H HB2 . ASP A 1 30 ? 12.174 -0.301 -4.034 1.00 0.00 ? 30 ASP A HB2 1
729
+ ATOM 466 H HB3 . ASP A 1 30 ? 13.662 -0.737 -4.869 1.00 0.00 ? 30 ASP A HB3 1
730
+ ATOM 467 N N . MET A 1 31 ? 10.756 1.412 -6.895 1.00 0.00 ? 31 MET A N 1
731
+ ATOM 468 C CA . MET A 1 31 ? 9.476 1.045 -7.528 1.00 0.00 ? 31 MET A CA 1
732
+ ATOM 469 C C . MET A 1 31 ? 9.612 0.118 -8.734 1.00 0.00 ? 31 MET A C 1
733
+ ATOM 470 O O . MET A 1 31 ? 8.616 -0.439 -9.191 1.00 0.00 ? 31 MET A O 1
734
+ ATOM 471 C CB . MET A 1 31 ? 8.733 2.308 -7.964 1.00 0.00 ? 31 MET A CB 1
735
+ ATOM 472 C CG . MET A 1 31 ? 9.507 3.160 -8.960 1.00 0.00 ? 31 MET A CG 1
736
+ ATOM 473 S SD . MET A 1 31 ? 8.662 4.701 -9.357 1.00 0.00 ? 31 MET A SD 1
737
+ ATOM 474 C CE . MET A 1 31 ? 9.840 5.447 -10.482 1.00 0.00 ? 31 MET A CE 1
738
+ ATOM 475 H H . MET A 1 31 ? 10.962 2.364 -6.786 1.00 0.00 ? 31 MET A H 1
739
+ ATOM 476 H HA . MET A 1 31 ? 8.880 0.545 -6.782 1.00 0.00 ? 31 MET A HA 1
740
+ ATOM 477 H HB2 . MET A 1 31 ? 7.796 2.022 -8.420 1.00 0.00 ? 31 MET A HB2 1
741
+ ATOM 478 H HB3 . MET A 1 31 ? 8.529 2.909 -7.091 1.00 0.00 ? 31 MET A HB3 1
742
+ ATOM 479 H HG2 . MET A 1 31 ? 10.473 3.395 -8.539 1.00 0.00 ? 31 MET A HG2 1
743
+ ATOM 480 H HG3 . MET A 1 31 ? 9.639 2.594 -9.869 1.00 0.00 ? 31 MET A HG3 1
744
+ ATOM 481 H HE1 . MET A 1 31 ? 9.982 4.798 -11.334 1.00 0.00 ? 31 MET A HE1 1
745
+ ATOM 482 H HE2 . MET A 1 31 ? 10.783 5.587 -9.975 1.00 0.00 ? 31 MET A HE2 1
746
+ ATOM 483 H HE3 . MET A 1 31 ? 9.465 6.403 -10.814 1.00 0.00 ? 31 MET A HE3 1
747
+ ATOM 484 N N . SER A 1 32 ? 10.822 -0.054 -9.249 1.00 0.00 ? 32 SER A N 1
748
+ ATOM 485 C CA . SER A 1 32 ? 11.048 -1.006 -10.325 1.00 0.00 ? 32 SER A CA 1
749
+ ATOM 486 C C . SER A 1 32 ? 10.642 -2.406 -9.855 1.00 0.00 ? 32 SER A C 1
750
+ ATOM 487 O O . SER A 1 32 ? 10.192 -3.237 -10.640 1.00 0.00 ? 32 SER A O 1
751
+ ATOM 488 C CB . SER A 1 32 ? 12.517 -0.984 -10.758 1.00 0.00 ? 32 SER A CB 1
752
+ ATOM 489 O OG . SER A 1 32 ? 12.709 -1.692 -11.973 1.00 0.00 ? 32 SER A OG 1
753
+ ATOM 490 H H . SER A 1 32 ? 11.576 0.459 -8.892 1.00 0.00 ? 32 SER A H 1
754
+ ATOM 491 H HA . SER A 1 32 ? 10.424 -0.724 -11.161 1.00 0.00 ? 32 SER A HA 1
755
+ ATOM 492 H HB2 . SER A 1 32 ? 12.830 0.040 -10.901 1.00 0.00 ? 32 SER A HB2 1
756
+ ATOM 493 H HB3 . SER A 1 32 ? 13.123 -1.440 -9.989 1.00 0.00 ? 32 SER A HB3 1
757
+ ATOM 494 H HG . SER A 1 32 ? 12.871 -2.630 -11.778 1.00 0.00 ? 32 SER A HG 1
758
+ ATOM 495 N N . ASP A 1 33 ? 10.783 -2.638 -8.554 1.00 0.00 ? 33 ASP A N 1
759
+ ATOM 496 C CA . ASP A 1 33 ? 10.372 -3.891 -7.940 1.00 0.00 ? 33 ASP A CA 1
760
+ ATOM 497 C C . ASP A 1 33 ? 9.250 -3.649 -6.934 1.00 0.00 ? 33 ASP A C 1
761
+ ATOM 498 O O . ASP A 1 33 ? 9.223 -4.268 -5.868 1.00 0.00 ? 33 ASP A O 1
762
+ ATOM 499 C CB . ASP A 1 33 ? 11.556 -4.578 -7.245 1.00 0.00 ? 33 ASP A CB 1
763
+ ATOM 500 C CG . ASP A 1 33 ? 12.552 -5.171 -8.223 1.00 0.00 ? 33 ASP A CG 1
764
+ ATOM 501 O OD1 . ASP A 1 33 ? 12.371 -6.337 -8.635 1.00 0.00 ? 33 ASP A OD1 1
765
+ ATOM 502 O OD2 . ASP A 1 33 ? 13.534 -4.483 -8.575 1.00 0.00 ? 33 ASP A OD2 1
766
+ ATOM 503 H H . ASP A 1 33 ? 11.173 -1.938 -7.982 1.00 0.00 ? 33 ASP A H 1
767
+ ATOM 504 H HA . ASP A 1 33 ? 10.005 -4.537 -8.724 1.00 0.00 ? 33 ASP A HA 1
768
+ ATOM 505 H HB2 . ASP A 1 33 ? 12.072 -3.855 -6.631 1.00 0.00 ? 33 ASP A HB2 1
769
+ ATOM 506 H HB3 . ASP A 1 33 ? 11.182 -5.372 -6.616 1.00 0.00 ? 33 ASP A HB3 1
770
+ ATOM 507 N N . ALA A 1 34 ? 8.342 -2.721 -7.262 1.00 0.00 ? 34 ALA A N 1
771
+ ATOM 508 C CA . ALA A 1 34 ? 7.204 -2.405 -6.394 1.00 0.00 ? 34 ALA A CA 1
772
+ ATOM 509 C C . ALA A 1 34 ? 6.457 -3.674 -6.002 1.00 0.00 ? 34 ALA A C 1
773
+ ATOM 510 O O . ALA A 1 34 ? 6.192 -4.536 -6.847 1.00 0.00 ? 34 ALA A O 1
774
+ ATOM 511 C CB . ALA A 1 34 ? 6.254 -1.426 -7.074 1.00 0.00 ? 34 ALA A CB 1
775
+ ATOM 512 H H . ALA A 1 34 ? 8.437 -2.245 -8.117 1.00 0.00 ? 34 ALA A H 1
776
+ ATOM 513 H HA . ALA A 1 34 ? 7.588 -1.934 -5.500 1.00 0.00 ? 34 ALA A HA 1
777
+ ATOM 514 H HB1 . ALA A 1 34 ? 6.782 -0.515 -7.311 1.00 0.00 ? 34 ALA A HB1 1
778
+ ATOM 515 H HB2 . ALA A 1 34 ? 5.428 -1.201 -6.408 1.00 0.00 ? 34 ALA A HB2 1
779
+ ATOM 516 H HB3 . ALA A 1 34 ? 5.871 -1.867 -7.982 1.00 0.00 ? 34 ALA A HB3 1
780
+ ATOM 517 N N . THR A 1 35 ? 6.121 -3.781 -4.727 1.00 0.00 ? 35 THR A N 1
781
+ ATOM 518 C CA . THR A 1 35 ? 5.539 -5.000 -4.199 1.00 0.00 ? 35 THR A CA 1
782
+ ATOM 519 C C . THR A 1 35 ? 4.249 -4.718 -3.442 1.00 0.00 ? 35 THR A C 1
783
+ ATOM 520 O O . THR A 1 35 ? 4.080 -3.659 -2.830 1.00 0.00 ? 35 THR A O 1
784
+ ATOM 521 C CB . THR A 1 35 ? 6.541 -5.745 -3.284 1.00 0.00 ? 35 THR A CB 1
785
+ ATOM 522 O OG1 . THR A 1 35 ? 5.964 -6.956 -2.771 1.00 0.00 ? 35 THR A OG1 1
786
+ ATOM 523 C CG2 . THR A 1 35 ? 6.998 -4.867 -2.128 1.00 0.00 ? 35 THR A CG2 1
787
+ ATOM 524 H H . THR A 1 35 ? 6.256 -3.016 -4.129 1.00 0.00 ? 35 THR A H 1
788
+ ATOM 525 H HA . THR A 1 35 ? 5.309 -5.643 -5.035 1.00 0.00 ? 35 THR A HA 1
789
+ ATOM 526 H HB . THR A 1 35 ? 7.406 -6.004 -3.876 1.00 0.00 ? 35 THR A HB 1
790
+ ATOM 527 H HG1 . THR A 1 35 ? 5.541 -6.778 -1.922 1.00 0.00 ? 35 THR A HG1 1
791
+ ATOM 528 H HG21 . THR A 1 35 ? 7.664 -5.429 -1.491 1.00 0.00 ? 35 THR A HG21 1
792
+ ATOM 529 H HG22 . THR A 1 35 ? 6.138 -4.545 -1.558 1.00 0.00 ? 35 THR A HG22 1
793
+ ATOM 530 H HG23 . THR A 1 35 ? 7.516 -4.002 -2.517 1.00 0.00 ? 35 THR A HG23 1
794
+ ATOM 531 N N . TRP A 1 36 ? 3.334 -5.666 -3.526 1.00 0.00 ? 36 TRP A N 1
795
+ ATOM 532 C CA . TRP A 1 36 ? 2.094 -5.618 -2.777 1.00 0.00 ? 36 TRP A CA 1
796
+ ATOM 533 C C . TRP A 1 36 ? 2.326 -6.111 -1.358 1.00 0.00 ? 36 TRP A C 1
797
+ ATOM 534 O O . TRP A 1 36 ? 2.512 -7.305 -1.126 1.00 0.00 ? 36 TRP A O 1
798
+ ATOM 535 C CB . TRP A 1 36 ? 1.017 -6.466 -3.456 1.00 0.00 ? 36 TRP A CB 1
799
+ ATOM 536 C CG . TRP A 1 36 ? 0.555 -5.914 -4.766 1.00 0.00 ? 36 TRP A CG 1
800
+ ATOM 537 C CD1 . TRP A 1 36 ? 1.138 -6.094 -5.987 1.00 0.00 ? 36 TRP A CD1 1
801
+ ATOM 538 C CD2 . TRP A 1 36 ? -0.594 -5.091 -4.987 1.00 0.00 ? 36 TRP A CD2 1
802
+ ATOM 539 N NE1 . TRP A 1 36 ? 0.425 -5.425 -6.949 1.00 0.00 ? 36 TRP A NE1 1
803
+ ATOM 540 C CE2 . TRP A 1 36 ? -0.645 -4.809 -6.363 1.00 0.00 ? 36 TRP A CE2 1
804
+ ATOM 541 C CE3 . TRP A 1 36 ? -1.586 -4.570 -4.157 1.00 0.00 ? 36 TRP A CE3 1
805
+ ATOM 542 C CZ2 . TRP A 1 36 ? -1.645 -4.019 -6.925 1.00 0.00 ? 36 TRP A CZ2 1
806
+ ATOM 543 C CZ3 . TRP A 1 36 ? -2.575 -3.788 -4.714 1.00 0.00 ? 36 TRP A CZ3 1
807
+ ATOM 544 C CH2 . TRP A 1 36 ? -2.602 -3.523 -6.087 1.00 0.00 ? 36 TRP A CH2 1
808
+ ATOM 545 H H . TRP A 1 36 ? 3.504 -6.431 -4.124 1.00 0.00 ? 36 TRP A H 1
809
+ ATOM 546 H HA . TRP A 1 36 ? 1.767 -4.588 -2.742 1.00 0.00 ? 36 TRP A HA 1
810
+ ATOM 547 H HB2 . TRP A 1 36 ? 1.408 -7.458 -3.633 1.00 0.00 ? 36 TRP A HB2 1
811
+ ATOM 548 H HB3 . TRP A 1 36 ? 0.158 -6.536 -2.803 1.00 0.00 ? 36 TRP A HB3 1
812
+ ATOM 549 H HD1 . TRP A 1 36 ? 2.035 -6.673 -6.154 1.00 0.00 ? 36 TRP A HD1 1
813
+ ATOM 550 H HE1 . TRP A 1 36 ? 0.647 -5.396 -7.915 1.00 0.00 ? 36 TRP A HE1 1
814
+ ATOM 551 H HE3 . TRP A 1 36 ? -1.585 -4.763 -3.095 1.00 0.00 ? 36 TRP A HE3 1
815
+ ATOM 552 H HZ2 . TRP A 1 36 ? -1.680 -3.807 -7.982 1.00 0.00 ? 36 TRP A HZ2 1
816
+ ATOM 553 H HZ3 . TRP A 1 36 ? -3.348 -3.372 -4.087 1.00 0.00 ? 36 TRP A HZ3 1
817
+ ATOM 554 H HH2 . TRP A 1 36 ? -3.396 -2.904 -6.479 1.00 0.00 ? 36 TRP A HH2 1
818
+ ATOM 555 N N . GLU A 1 37 ? 2.330 -5.186 -0.424 1.00 0.00 ? 37 GLU A N 1
819
+ ATOM 556 C CA . GLU A 1 37 ? 2.535 -5.510 0.973 1.00 0.00 ? 37 GLU A CA 1
820
+ ATOM 557 C C . GLU A 1 37 ? 1.200 -5.502 1.703 1.00 0.00 ? 37 GLU A C 1
821
+ ATOM 558 O O . GLU A 1 37 ? 0.293 -4.752 1.346 1.00 0.00 ? 37 GLU A O 1
822
+ ATOM 559 C CB . GLU A 1 37 ? 3.497 -4.502 1.610 1.00 0.00 ? 37 GLU A CB 1
823
+ ATOM 560 C CG . GLU A 1 37 ? 4.889 -4.535 1.009 1.00 0.00 ? 37 GLU A CG 1
824
+ ATOM 561 C CD . GLU A 1 37 ? 5.716 -5.701 1.505 1.00 0.00 ? 37 GLU A CD 1
825
+ ATOM 562 O OE1 . GLU A 1 37 ? 5.431 -6.849 1.120 1.00 0.00 ? 37 GLU A OE1 1
826
+ ATOM 563 O OE2 . GLU A 1 37 ? 6.664 -5.471 2.282 1.00 0.00 ? 37 GLU A OE2 1
827
+ ATOM 564 H H . GLU A 1 37 ? 2.178 -4.250 -0.682 1.00 0.00 ? 37 GLU A H 1
828
+ ATOM 565 H HA . GLU A 1 37 ? 2.964 -6.499 1.031 1.00 0.00 ? 37 GLU A HA 1
829
+ ATOM 566 H HB2 . GLU A 1 37 ? 3.096 -3.508 1.486 1.00 0.00 ? 37 GLU A HB2 1
830
+ ATOM 567 H HB3 . GLU A 1 37 ? 3.580 -4.719 2.664 1.00 0.00 ? 37 GLU A HB3 1
831
+ ATOM 568 H HG2 . GLU A 1 37 ? 4.794 -4.618 -0.060 1.00 0.00 ? 37 GLU A HG2 1
832
+ ATOM 569 H HG3 . GLU A 1 37 ? 5.401 -3.614 1.256 1.00 0.00 ? 37 GLU A HG3 1
833
+ ATOM 570 N N . PRO A 1 38 ? 1.054 -6.355 2.716 1.00 0.00 ? 38 PRO A N 1
834
+ ATOM 571 C CA . PRO A 1 38 ? -0.154 -6.407 3.537 1.00 0.00 ? 38 PRO A CA 1
835
+ ATOM 572 C C . PRO A 1 38 ? -0.234 -5.230 4.507 1.00 0.00 ? 38 PRO A C 1
836
+ ATOM 573 O O . PRO A 1 38 ? 0.793 -4.807 5.038 1.00 0.00 ? 38 PRO A O 1
837
+ ATOM 574 C CB . PRO A 1 38 ? 0.001 -7.722 4.304 1.00 0.00 ? 38 PRO A CB 1
838
+ ATOM 575 C CG . PRO A 1 38 ? 1.473 -7.940 4.386 1.00 0.00 ? 38 PRO A CG 1
839
+ ATOM 576 C CD . PRO A 1 38 ? 2.062 -7.345 3.131 1.00 0.00 ? 38 PRO A CD 1
840
+ ATOM 577 H HA . PRO A 1 38 ? -1.047 -6.439 2.931 1.00 0.00 ? 38 PRO A HA 1
841
+ ATOM 578 H HB2 . PRO A 1 38 ? -0.441 -7.625 5.284 1.00 0.00 ? 38 PRO A HB2 1
842
+ ATOM 579 H HB3 . PRO A 1 38 ? -0.486 -8.518 3.761 1.00 0.00 ? 38 PRO A HB3 1
843
+ ATOM 580 H HG2 . PRO A 1 38 ? 1.868 -7.440 5.257 1.00 0.00 ? 38 PRO A HG2 1
844
+ ATOM 581 H HG3 . PRO A 1 38 ? 1.685 -8.999 4.433 1.00 0.00 ? 38 PRO A HG3 1
845
+ ATOM 582 H HD2 . PRO A 1 38 ? 3.007 -6.862 3.341 1.00 0.00 ? 38 PRO A HD2 1
846
+ ATOM 583 H HD3 . PRO A 1 38 ? 2.187 -8.103 2.372 1.00 0.00 ? 38 PRO A HD3 1
847
+ ATOM 584 N N . GLN A 1 39 ? -1.442 -4.694 4.709 1.00 0.00 ? 39 GLN A N 1
848
+ ATOM 585 C CA . GLN A 1 39 ? -1.665 -3.488 5.525 1.00 0.00 ? 39 GLN A CA 1
849
+ ATOM 586 C C . GLN A 1 39 ? -0.805 -3.455 6.785 1.00 0.00 ? 39 GLN A C 1
850
+ ATOM 587 O O . GLN A 1 39 ? -0.188 -2.435 7.093 1.00 0.00 ? 39 GLN A O 1
851
+ ATOM 588 C CB . GLN A 1 39 ? -3.130 -3.393 5.940 1.00 0.00 ? 39 GLN A CB 1
852
+ ATOM 589 C CG . GLN A 1 39 ? -4.111 -3.404 4.783 1.00 0.00 ? 39 GLN A CG 1
853
+ ATOM 590 C CD . GLN A 1 39 ? -5.536 -3.172 5.241 1.00 0.00 ? 39 GLN A CD 1
854
+ ATOM 591 O OE1 . GLN A 1 39 ? -6.483 -3.672 4.641 1.00 0.00 ? 39 GLN A OE1 1
855
+ ATOM 592 N NE2 . GLN A 1 39 ? -5.696 -2.415 6.313 1.00 0.00 ? 39 GLN A NE2 1
856
+ ATOM 593 H H . GLN A 1 39 ? -2.214 -5.111 4.277 1.00 0.00 ? 39 GLN A H 1
857
+ ATOM 594 H HA . GLN A 1 39 ? -1.421 -2.629 4.917 1.00 0.00 ? 39 GLN A HA 1
858
+ ATOM 595 H HB2 . GLN A 1 39 ? -3.359 -4.231 6.583 1.00 0.00 ? 39 GLN A HB2 1
859
+ ATOM 596 H HB3 . GLN A 1 39 ? -3.274 -2.478 6.495 1.00 0.00 ? 39 GLN A HB3 1
860
+ ATOM 597 H HG2 . GLN A 1 39 ? -3.840 -2.626 4.088 1.00 0.00 ? 39 GLN A HG2 1
861
+ ATOM 598 H HG3 . GLN A 1 39 ? -4.056 -4.365 4.289 1.00 0.00 ? 39 GLN A HG3 1
862
+ ATOM 599 H HE21 . GLN A 1 39 ? -4.898 -2.052 6.748 1.00 0.00 ? 39 GLN A HE21 1
863
+ ATOM 600 H HE22 . GLN A 1 39 ? -6.613 -2.243 6.629 1.00 0.00 ? 39 GLN A HE22 1
864
+ ATOM 601 N N . ASP A 1 40 ? -0.769 -4.579 7.491 1.00 0.00 ? 40 ASP A N 1
865
+ ATOM 602 C CA . ASP A 1 40 ? -0.041 -4.703 8.755 1.00 0.00 ? 40 ASP A CA 1
866
+ ATOM 603 C C . ASP A 1 40 ? 1.426 -4.305 8.606 1.00 0.00 ? 40 ASP A C 1
867
+ ATOM 604 O O . ASP A 1 40 ? 2.039 -3.790 9.542 1.00 0.00 ? 40 ASP A O 1
868
+ ATOM 605 C CB . ASP A 1 40 ? -0.130 -6.145 9.260 1.00 0.00 ? 40 ASP A CB 1
869
+ ATOM 606 C CG . ASP A 1 40 ? -1.561 -6.633 9.378 1.00 0.00 ? 40 ASP A CG 1
870
+ ATOM 607 O OD1 . ASP A 1 40 ? -2.156 -6.999 8.340 1.00 0.00 ? 40 ASP A OD1 1
871
+ ATOM 608 O OD2 . ASP A 1 40 ? -2.101 -6.649 10.504 1.00 0.00 ? 40 ASP A OD2 1
872
+ ATOM 609 H H . ASP A 1 40 ? -1.263 -5.360 7.158 1.00 0.00 ? 40 ASP A H 1
873
+ ATOM 610 H HA . ASP A 1 40 ? -0.511 -4.052 9.475 1.00 0.00 ? 40 ASP A HA 1
874
+ ATOM 611 H HB2 . ASP A 1 40 ? 0.394 -6.793 8.575 1.00 0.00 ? 40 ASP A HB2 1
875
+ ATOM 612 H HB3 . ASP A 1 40 ? 0.334 -6.208 10.234 1.00 0.00 ? 40 ASP A HB3 1
876
+ ATOM 613 N N . ASN A 1 41 ? 1.977 -4.538 7.424 1.00 0.00 ? 41 ASN A N 1
877
+ ATOM 614 C CA . ASN A 1 41 ? 3.379 -4.241 7.150 1.00 0.00 ? 41 ASN A CA 1
878
+ ATOM 615 C C . ASN A 1 41 ? 3.510 -2.909 6.417 1.00 0.00 ? 41 ASN A C 1
879
+ ATOM 616 O O . ASN A 1 41 ? 4.551 -2.256 6.469 1.00 0.00 ? 41 ASN A O 1
880
+ ATOM 617 C CB . ASN A 1 41 ? 3.994 -5.367 6.312 1.00 0.00 ? 41 ASN A CB 1
881
+ ATOM 618 C CG . ASN A 1 41 ? 5.496 -5.231 6.138 1.00 0.00 ? 41 ASN A CG 1
882
+ ATOM 619 O OD1 . ASN A 1 41 ? 6.272 -5.727 6.956 1.00 0.00 ? 41 ASN A OD1 1
883
+ ATOM 620 N ND2 . ASN A 1 41 ? 5.917 -4.578 5.066 1.00 0.00 ? 41 ASN A ND2 1
884
+ ATOM 621 H H . ASN A 1 41 ? 1.420 -4.910 6.706 1.00 0.00 ? 41 ASN A H 1
885
+ ATOM 622 H HA . ASN A 1 41 ? 3.899 -4.176 8.094 1.00 0.00 ? 41 ASN A HA 1
886
+ ATOM 623 H HB2 . ASN A 1 41 ? 3.794 -6.312 6.793 1.00 0.00 ? 41 ASN A HB2 1
887
+ ATOM 624 H HB3 . ASN A 1 41 ? 3.538 -5.365 5.332 1.00 0.00 ? 41 ASN A HB3 1
888
+ ATOM 625 H HD21 . ASN A 1 41 ? 5.249 -4.219 4.446 1.00 0.00 ? 41 ASN A HD21 1
889
+ ATOM 626 H HD22 . ASN A 1 41 ? 6.887 -4.485 4.929 1.00 0.00 ? 41 ASN A HD22 1
890
+ ATOM 627 N N . VAL A 1 42 ? 2.446 -2.514 5.731 1.00 0.00 ? 42 VAL A N 1
891
+ ATOM 628 C CA . VAL A 1 42 ? 2.440 -1.268 4.978 1.00 0.00 ? 42 VAL A CA 1
892
+ ATOM 629 C C . VAL A 1 42 ? 2.437 -0.067 5.918 1.00 0.00 ? 42 VAL A C 1
893
+ ATOM 630 O O . VAL A 1 42 ? 1.725 -0.051 6.923 1.00 0.00 ? 42 VAL A O 1
894
+ ATOM 631 C CB . VAL A 1 42 ? 1.219 -1.176 4.034 1.00 0.00 ? 42 VAL A CB 1
895
+ ATOM 632 C CG1 . VAL A 1 42 ? 1.266 0.103 3.217 1.00 0.00 ? 42 VAL A CG1 1
896
+ ATOM 633 C CG2 . VAL A 1 42 ? 1.174 -2.368 3.107 1.00 0.00 ? 42 VAL A CG2 1
897
+ ATOM 634 H H . VAL A 1 42 ? 1.640 -3.074 5.737 1.00 0.00 ? 42 VAL A H 1
898
+ ATOM 635 H HA . VAL A 1 42 ? 3.338 -1.239 4.376 1.00 0.00 ? 42 VAL A HA 1
899
+ ATOM 636 H HB . VAL A 1 42 ? 0.310 -1.174 4.629 1.00 0.00 ? 42 VAL A HB 1
900
+ ATOM 637 H HG11 . VAL A 1 42 ? 0.385 0.163 2.596 1.00 0.00 ? 42 VAL A HG11 1
901
+ ATOM 638 H HG12 . VAL A 1 42 ? 2.148 0.098 2.595 1.00 0.00 ? 42 VAL A HG12 1
902
+ ATOM 639 H HG13 . VAL A 1 42 ? 1.295 0.953 3.881 1.00 0.00 ? 42 VAL A HG13 1
903
+ ATOM 640 H HG21 . VAL A 1 42 ? 2.071 -2.391 2.508 1.00 0.00 ? 42 VAL A HG21 1
904
+ ATOM 641 H HG22 . VAL A 1 42 ? 0.311 -2.288 2.461 1.00 0.00 ? 42 VAL A HG22 1
905
+ ATOM 642 H HG23 . VAL A 1 42 ? 1.107 -3.274 3.690 1.00 0.00 ? 42 VAL A HG23 1
906
+ ATOM 643 N N . ASP A 1 43 ? 3.259 0.924 5.587 1.00 0.00 ? 43 ASP A N 1
907
+ ATOM 644 C CA . ASP A 1 43 ? 3.326 2.166 6.350 1.00 0.00 ? 43 ASP A CA 1
908
+ ATOM 645 C C . ASP A 1 43 ? 1.952 2.825 6.392 1.00 0.00 ? 43 ASP A C 1
909
+ ATOM 646 O O . ASP A 1 43 ? 1.422 3.246 5.360 1.00 0.00 ? 43 ASP A O 1
910
+ ATOM 647 C CB . ASP A 1 43 ? 4.349 3.113 5.721 1.00 0.00 ? 43 ASP A CB 1
911
+ ATOM 648 C CG . ASP A 1 43 ? 4.584 4.363 6.545 1.00 0.00 ? 43 ASP A CG 1
912
+ ATOM 649 O OD1 . ASP A 1 43 ? 5.457 4.330 7.442 1.00 0.00 ? 43 ASP A OD1 1
913
+ ATOM 650 O OD2 . ASP A 1 43 ? 3.913 5.386 6.296 1.00 0.00 ? 43 ASP A OD2 1
914
+ ATOM 651 H H . ASP A 1 43 ? 3.837 0.816 4.807 1.00 0.00 ? 43 ASP A H 1
915
+ ATOM 652 H HA . ASP A 1 43 ? 3.633 1.926 7.357 1.00 0.00 ? 43 ASP A HA 1
916
+ ATOM 653 H HB2 . ASP A 1 43 ? 5.289 2.594 5.618 1.00 0.00 ? 43 ASP A HB2 1
917
+ ATOM 654 H HB3 . ASP A 1 43 ? 3.996 3.409 4.746 1.00 0.00 ? 43 ASP A HB3 1
918
+ ATOM 655 N N . SER A 1 44 ? 1.385 2.914 7.587 1.00 0.00 ? 44 SER A N 1
919
+ ATOM 656 C CA . SER A 1 44 ? 0.010 3.363 7.758 1.00 0.00 ? 44 SER A CA 1
920
+ ATOM 657 C C . SER A 1 44 ? -0.127 4.853 7.480 1.00 0.00 ? 44 SER A C 1
921
+ ATOM 658 O O . SER A 1 44 ? -1.218 5.339 7.177 1.00 0.00 ? 44 SER A O 1
922
+ ATOM 659 C CB . SER A 1 44 ? -0.482 3.034 9.167 1.00 0.00 ? 44 SER A CB 1
923
+ ATOM 660 O OG . SER A 1 44 ? 0.477 3.407 10.142 1.00 0.00 ? 44 SER A OG 1
924
+ ATOM 661 H H . SER A 1 44 ? 1.914 2.682 8.380 1.00 0.00 ? 44 SER A H 1
925
+ ATOM 662 H HA . SER A 1 44 ? -0.597 2.827 7.044 1.00 0.00 ? 44 SER A HA 1
926
+ ATOM 663 H HB2 . SER A 1 44 ? -1.398 3.570 9.361 1.00 0.00 ? 44 SER A HB2 1
927
+ ATOM 664 H HB3 . SER A 1 44 ? -0.664 1.970 9.246 1.00 0.00 ? 44 SER A HB3 1
928
+ ATOM 665 H HG . SER A 1 44 ? 0.542 2.711 10.807 1.00 0.00 ? 44 SER A HG 1
929
+ ATOM 666 N N . THR A 1 45 ? 0.981 5.570 7.567 1.00 0.00 ? 45 THR A N 1
930
+ ATOM 667 C CA . THR A 1 45 ? 0.991 6.988 7.270 1.00 0.00 ? 45 THR A CA 1
931
+ ATOM 668 C C . THR A 1 45 ? 0.736 7.199 5.781 1.00 0.00 ? 45 THR A C 1
932
+ ATOM 669 O O . THR A 1 45 ? -0.048 8.059 5.382 1.00 0.00 ? 45 THR A O 1
933
+ ATOM 670 C CB . THR A 1 45 ? 2.334 7.626 7.671 1.00 0.00 ? 45 THR A CB 1
934
+ ATOM 671 O OG1 . THR A 1 45 ? 2.672 7.238 9.012 1.00 0.00 ? 45 THR A OG1 1
935
+ ATOM 672 C CG2 . THR A 1 45 ? 2.266 9.143 7.581 1.00 0.00 ? 45 THR A CG2 1
936
+ ATOM 673 H H . THR A 1 45 ? 1.817 5.130 7.828 1.00 0.00 ? 45 THR A H 1
937
+ ATOM 674 H HA . THR A 1 45 ? 0.200 7.459 7.838 1.00 0.00 ? 45 THR A HA 1
938
+ ATOM 675 H HB . THR A 1 45 ? 3.101 7.272 6.996 1.00 0.00 ? 45 THR A HB 1
939
+ ATOM 676 H HG1 . THR A 1 45 ? 3.610 6.995 9.045 1.00 0.00 ? 45 THR A HG1 1
940
+ ATOM 677 H HG21 . THR A 1 45 ? 3.215 9.566 7.878 1.00 0.00 ? 45 THR A HG21 1
941
+ ATOM 678 H HG22 . THR A 1 45 ? 1.489 9.509 8.236 1.00 0.00 ? 45 THR A HG22 1
942
+ ATOM 679 H HG23 . THR A 1 45 ? 2.046 9.434 6.563 1.00 0.00 ? 45 THR A HG23 1
943
+ ATOM 680 N N . LEU A 1 46 ? 1.388 6.378 4.970 1.00 0.00 ? 46 LEU A N 1
944
+ ATOM 681 C CA . LEU A 1 46 ? 1.181 6.394 3.531 1.00 0.00 ? 46 LEU A CA 1
945
+ ATOM 682 C C . LEU A 1 46 ? -0.199 5.847 3.185 1.00 0.00 ? 46 LEU A C 1
946
+ ATOM 683 O O . LEU A 1 46 ? -0.874 6.362 2.297 1.00 0.00 ? 46 LEU A O 1
947
+ ATOM 684 C CB . LEU A 1 46 ? 2.267 5.574 2.841 1.00 0.00 ? 46 LEU A CB 1
948
+ ATOM 685 C CG . LEU A 1 46 ? 3.691 6.074 3.070 1.00 0.00 ? 46 LEU A CG 1
949
+ ATOM 686 C CD1 . LEU A 1 46 ? 4.695 5.037 2.615 1.00 0.00 ? 46 LEU A CD1 1
950
+ ATOM 687 C CD2 . LEU A 1 46 ? 3.914 7.389 2.343 1.00 0.00 ? 46 LEU A CD2 1
951
+ ATOM 688 H H . LEU A 1 46 ? 2.041 5.746 5.354 1.00 0.00 ? 46 LEU A H 1
952
+ ATOM 689 H HA . LEU A 1 46 ? 1.246 7.419 3.195 1.00 0.00 ? 46 LEU A HA 1
953
+ ATOM 690 H HB2 . LEU A 1 46 ? 2.203 4.555 3.194 1.00 0.00 ? 46 LEU A HB2 1
954
+ ATOM 691 H HB3 . LEU A 1 46 ? 2.076 5.583 1.778 1.00 0.00 ? 46 LEU A HB3 1
955
+ ATOM 692 H HG . LEU A 1 46 ? 3.842 6.245 4.127 1.00 0.00 ? 46 LEU A HG 1
956
+ ATOM 693 H HD11 . LEU A 1 46 ? 4.559 4.132 3.192 1.00 0.00 ? 46 LEU A HD11 1
957
+ ATOM 694 H HD12 . LEU A 1 46 ? 5.695 5.414 2.764 1.00 0.00 ? 46 LEU A HD12 1
958
+ ATOM 695 H HD13 . LEU A 1 46 ? 4.540 4.824 1.568 1.00 0.00 ? 46 LEU A HD13 1
959
+ ATOM 696 H HD21 . LEU A 1 46 ? 3.225 8.130 2.719 1.00 0.00 ? 46 LEU A HD21 1
960
+ ATOM 697 H HD22 . LEU A 1 46 ? 3.748 7.246 1.286 1.00 0.00 ? 46 LEU A HD22 1
961
+ ATOM 698 H HD23 . LEU A 1 46 ? 4.929 7.725 2.506 1.00 0.00 ? 46 LEU A HD23 1
962
+ ATOM 699 N N . VAL A 1 47 ? -0.622 4.807 3.899 1.00 0.00 ? 47 VAL A N 1
963
+ ATOM 700 C CA . VAL A 1 47 ? -1.955 4.239 3.706 1.00 0.00 ? 47 VAL A CA 1
964
+ ATOM 701 C C . VAL A 1 47 ? -3.024 5.296 3.889 1.00 0.00 ? 47 VAL A C 1
965
+ ATOM 702 O O . VAL A 1 47 ? -3.968 5.365 3.109 1.00 0.00 ? 47 VAL A O 1
966
+ ATOM 703 C CB . VAL A 1 47 ? -2.220 3.057 4.658 1.00 0.00 ? 47 VAL A CB 1
967
+ ATOM 704 C CG1 . VAL A 1 47 ? -3.692 2.675 4.691 1.00 0.00 ? 47 VAL A CG1 1
968
+ ATOM 705 C CG2 . VAL A 1 47 ? -1.408 1.877 4.211 1.00 0.00 ? 47 VAL A CG2 1
969
+ ATOM 706 H H . VAL A 1 47 ? -0.020 4.406 4.569 1.00 0.00 ? 47 VAL A H 1
970
+ ATOM 707 H HA . VAL A 1 47 ? -2.007 3.868 2.691 1.00 0.00 ? 47 VAL A HA 1
971
+ ATOM 708 H HB . VAL A 1 47 ? -1.907 3.331 5.654 1.00 0.00 ? 47 VAL A HB 1
972
+ ATOM 709 H HG11 . VAL A 1 47 ? -3.820 1.803 5.317 1.00 0.00 ? 47 VAL A HG11 1
973
+ ATOM 710 H HG12 . VAL A 1 47 ? -4.028 2.452 3.690 1.00 0.00 ? 47 VAL A HG12 1
974
+ ATOM 711 H HG13 . VAL A 1 47 ? -4.268 3.495 5.092 1.00 0.00 ? 47 VAL A HG13 1
975
+ ATOM 712 H HG21 . VAL A 1 47 ? -1.703 1.614 3.205 1.00 0.00 ? 47 VAL A HG21 1
976
+ ATOM 713 H HG22 . VAL A 1 47 ? -1.587 1.044 4.873 1.00 0.00 ? 47 VAL A HG22 1
977
+ ATOM 714 H HG23 . VAL A 1 47 ? -0.363 2.138 4.225 1.00 0.00 ? 47 VAL A HG23 1
978
+ ATOM 715 N N . LEU A 1 48 ? -2.848 6.134 4.901 1.00 0.00 ? 48 LEU A N 1
979
+ ATOM 716 C CA . LEU A 1 48 ? -3.766 7.235 5.151 1.00 0.00 ? 48 LEU A CA 1
980
+ ATOM 717 C C . LEU A 1 48 ? -3.927 8.087 3.903 1.00 0.00 ? 48 LEU A C 1
981
+ ATOM 718 O O . LEU A 1 48 ? -5.018 8.564 3.602 1.00 0.00 ? 48 LEU A O 1
982
+ ATOM 719 C CB . LEU A 1 48 ? -3.266 8.101 6.307 1.00 0.00 ? 48 LEU A CB 1
983
+ ATOM 720 C CG . LEU A 1 48 ? -3.419 7.481 7.695 1.00 0.00 ? 48 LEU A CG 1
984
+ ATOM 721 C CD1 . LEU A 1 48 ? -2.906 8.436 8.762 1.00 0.00 ? 48 LEU A CD1 1
985
+ ATOM 722 C CD2 . LEU A 1 48 ? -4.872 7.119 7.952 1.00 0.00 ? 48 LEU A CD2 1
986
+ ATOM 723 H H . LEU A 1 48 ? -2.073 6.007 5.495 1.00 0.00 ? 48 LEU A H 1
987
+ ATOM 724 H HA . LEU A 1 48 ? -4.725 6.815 5.413 1.00 0.00 ? 48 LEU A HA 1
988
+ ATOM 725 H HB2 . LEU A 1 48 ? -2.219 8.309 6.142 1.00 0.00 ? 48 LEU A HB2 1
989
+ ATOM 726 H HB3 . LEU A 1 48 ? -3.809 9.032 6.292 1.00 0.00 ? 48 LEU A HB3 1
990
+ ATOM 727 H HG . LEU A 1 48 ? -2.830 6.576 7.748 1.00 0.00 ? 48 LEU A HG 1
991
+ ATOM 728 H HD11 . LEU A 1 48 ? -1.857 8.627 8.600 1.00 0.00 ? 48 LEU A HD11 1
992
+ ATOM 729 H HD12 . LEU A 1 48 ? -3.047 7.995 9.738 1.00 0.00 ? 48 LEU A HD12 1
993
+ ATOM 730 H HD13 . LEU A 1 48 ? -3.455 9.365 8.705 1.00 0.00 ? 48 LEU A HD13 1
994
+ ATOM 731 H HD21 . LEU A 1 48 ? -5.474 8.016 7.942 1.00 0.00 ? 48 LEU A HD21 1
995
+ ATOM 732 H HD22 . LEU A 1 48 ? -4.960 6.636 8.914 1.00 0.00 ? 48 LEU A HD22 1
996
+ ATOM 733 H HD23 . LEU A 1 48 ? -5.216 6.448 7.178 1.00 0.00 ? 48 LEU A HD23 1
997
+ ATOM 734 N N . LEU A 1 49 ? -2.842 8.228 3.154 1.00 0.00 ? 49 LEU A N 1
998
+ ATOM 735 C CA . LEU A 1 49 ? -2.840 9.052 1.959 1.00 0.00 ? 49 LEU A CA 1
999
+ ATOM 736 C C . LEU A 1 49 ? -3.679 8.398 0.873 1.00 0.00 ? 49 LEU A C 1
1000
+ ATOM 737 O O . LEU A 1 49 ? -4.336 9.080 0.088 1.00 0.00 ? 49 LEU A O 1
1001
+ ATOM 738 C CB . LEU A 1 49 ? -1.406 9.267 1.467 1.00 0.00 ? 49 LEU A CB 1
1002
+ ATOM 739 C CG . LEU A 1 49 ? -0.424 9.732 2.543 1.00 0.00 ? 49 LEU A CG 1
1003
+ ATOM 740 C CD1 . LEU A 1 49 ? 0.969 9.902 1.961 1.00 0.00 ? 49 LEU A CD1 1
1004
+ ATOM 741 C CD2 . LEU A 1 49 ? -0.902 11.028 3.177 1.00 0.00 ? 49 LEU A CD2 1
1005
+ ATOM 742 H H . LEU A 1 49 ? -2.019 7.743 3.400 1.00 0.00 ? 49 LEU A H 1
1006
+ ATOM 743 H HA . LEU A 1 49 ? -3.276 10.007 2.211 1.00 0.00 ? 49 LEU A HA 1
1007
+ ATOM 744 H HB2 . LEU A 1 49 ? -1.046 8.335 1.056 1.00 0.00 ? 49 LEU A HB2 1
1008
+ ATOM 745 H HB3 . LEU A 1 49 ? -1.422 10.006 0.681 1.00 0.00 ? 49 LEU A HB3 1
1009
+ ATOM 746 H HG . LEU A 1 49 ? -0.371 8.982 3.318 1.00 0.00 ? 49 LEU A HG 1
1010
+ ATOM 747 H HD11 . LEU A 1 49 ? 1.330 8.946 1.610 1.00 0.00 ? 49 LEU A HD11 1
1011
+ ATOM 748 H HD12 . LEU A 1 49 ? 1.633 10.279 2.724 1.00 0.00 ? 49 LEU A HD12 1
1012
+ ATOM 749 H HD13 . LEU A 1 49 ? 0.933 10.598 1.138 1.00 0.00 ? 49 LEU A HD13 1
1013
+ ATOM 750 H HD21 . LEU A 1 49 ? -1.867 10.867 3.636 1.00 0.00 ? 49 LEU A HD21 1
1014
+ ATOM 751 H HD22 . LEU A 1 49 ? -0.986 11.790 2.417 1.00 0.00 ? 49 LEU A HD22 1
1015
+ ATOM 752 H HD23 . LEU A 1 49 ? -0.194 11.343 3.928 1.00 0.00 ? 49 LEU A HD23 1
1016
+ ATOM 753 N N . TYR A 1 50 ? -3.685 7.070 0.856 1.00 0.00 ? 50 TYR A N 1
1017
+ ATOM 754 C CA . TYR A 1 50 ? -4.441 6.336 -0.146 1.00 0.00 ? 50 TYR A CA 1
1018
+ ATOM 755 C C . TYR A 1 50 ? -5.899 6.226 0.278 1.00 0.00 ? 50 TYR A C 1
1019
+ ATOM 756 O O . TYR A 1 50 ? -6.803 6.386 -0.540 1.00 0.00 ? 50 TYR A O 1
1020
+ ATOM 757 C CB . TYR A 1 50 ? -3.855 4.943 -0.392 1.00 0.00 ? 50 TYR A CB 1
1021
+ ATOM 758 C CG . TYR A 1 50 ? -4.581 4.181 -1.484 1.00 0.00 ? 50 TYR A CG 1
1022
+ ATOM 759 C CD1 . TYR A 1 50 ? -4.271 4.382 -2.825 1.00 0.00 ? 50 TYR A CD1 1
1023
+ ATOM 760 C CD2 . TYR A 1 50 ? -5.591 3.278 -1.175 1.00 0.00 ? 50 TYR A CD2 1
1024
+ ATOM 761 C CE1 . TYR A 1 50 ? -4.945 3.703 -3.825 1.00 0.00 ? 50 TYR A CE1 1
1025
+ ATOM 762 C CE2 . TYR A 1 50 ? -6.271 2.598 -2.168 1.00 0.00 ? 50 TYR A CE2 1
1026
+ ATOM 763 C CZ . TYR A 1 50 ? -5.944 2.813 -3.490 1.00 0.00 ? 50 TYR A CZ 1
1027
+ ATOM 764 O OH . TYR A 1 50 ? -6.629 2.140 -4.480 1.00 0.00 ? 50 TYR A OH 1
1028
+ ATOM 765 H H . TYR A 1 50 ? -3.193 6.576 1.552 1.00 0.00 ? 50 TYR A H 1
1029
+ ATOM 766 H HA . TYR A 1 50 ? -4.394 6.902 -1.066 1.00 0.00 ? 50 TYR A HA 1
1030
+ ATOM 767 H HB2 . TYR A 1 50 ? -2.820 5.039 -0.684 1.00 0.00 ? 50 TYR A HB2 1
1031
+ ATOM 768 H HB3 . TYR A 1 50 ? -3.919 4.365 0.519 1.00 0.00 ? 50 TYR A HB3 1
1032
+ ATOM 769 H HD1 . TYR A 1 50 ? -3.488 5.080 -3.084 1.00 0.00 ? 50 TYR A HD1 1
1033
+ ATOM 770 H HD2 . TYR A 1 50 ? -5.846 3.108 -0.140 1.00 0.00 ? 50 TYR A HD2 1
1034
+ ATOM 771 H HE1 . TYR A 1 50 ? -4.688 3.871 -4.860 1.00 0.00 ? 50 TYR A HE1 1
1035
+ ATOM 772 H HE2 . TYR A 1 50 ? -7.050 1.899 -1.906 1.00 0.00 ? 50 TYR A HE2 1
1036
+ ATOM 773 H HH . TYR A 1 50 ? -6.016 1.884 -5.182 1.00 0.00 ? 50 TYR A HH 1
1037
+ ATOM 774 N N . GLN A 1 51 ? -6.126 5.948 1.559 1.00 0.00 ? 51 GLN A N 1
1038
+ ATOM 775 C CA . GLN A 1 51 ? -7.481 5.957 2.102 1.00 0.00 ? 51 GLN A CA 1
1039
+ ATOM 776 C C . GLN A 1 51 ? -8.167 7.293 1.825 1.00 0.00 ? 51 GLN A C 1
1040
+ ATOM 777 O O . GLN A 1 51 ? -9.356 7.333 1.510 1.00 0.00 ? 51 GLN A O 1
1041
+ ATOM 778 C CB . GLN A 1 51 ? -7.485 5.680 3.606 1.00 0.00 ? 51 GLN A CB 1
1042
+ ATOM 779 C CG . GLN A 1 51 ? -7.052 4.269 3.971 1.00 0.00 ? 51 GLN A CG 1
1043
+ ATOM 780 C CD . GLN A 1 51 ? -7.260 3.963 5.443 1.00 0.00 ? 51 GLN A CD 1
1044
+ ATOM 781 O OE1 . GLN A 1 51 ? -6.375 4.188 6.268 1.00 0.00 ? 51 GLN A OE1 1
1045
+ ATOM 782 N NE2 . GLN A 1 51 ? -8.431 3.445 5.789 1.00 0.00 ? 51 GLN A NE2 1
1046
+ ATOM 783 H H . GLN A 1 51 ? -5.364 5.697 2.147 1.00 0.00 ? 51 GLN A H 1
1047
+ ATOM 784 H HA . GLN A 1 51 ? -8.037 5.176 1.604 1.00 0.00 ? 51 GLN A HA 1
1048
+ ATOM 785 H HB2 . GLN A 1 51 ? -6.815 6.377 4.086 1.00 0.00 ? 51 GLN A HB2 1
1049
+ ATOM 786 H HB3 . GLN A 1 51 ? -8.484 5.835 3.985 1.00 0.00 ? 51 GLN A HB3 1
1050
+ ATOM 787 H HG2 . GLN A 1 51 ? -7.624 3.565 3.386 1.00 0.00 ? 51 GLN A HG2 1
1051
+ ATOM 788 H HG3 . GLN A 1 51 ? -6.001 4.159 3.740 1.00 0.00 ? 51 GLN A HG3 1
1052
+ ATOM 789 H HE21 . GLN A 1 51 ? -9.101 3.285 5.082 1.00 0.00 ? 51 GLN A HE21 1
1053
+ ATOM 790 H HE22 . GLN A 1 51 ? -8.591 3.251 6.739 1.00 0.00 ? 51 GLN A HE22 1
1054
+ ATOM 791 N N . GLN A 1 52 ? -7.413 8.384 1.930 1.00 0.00 ? 52 GLN A N 1
1055
+ ATOM 792 C CA . GLN A 1 52 ? -7.959 9.711 1.656 1.00 0.00 ? 52 GLN A CA 1
1056
+ ATOM 793 C C . GLN A 1 52 ? -8.185 9.936 0.159 1.00 0.00 ? 52 GLN A C 1
1057
+ ATOM 794 O O . GLN A 1 52 ? -8.911 10.851 -0.232 1.00 0.00 ? 52 GLN A O 1
1058
+ ATOM 795 C CB . GLN A 1 52 ? -7.050 10.805 2.222 1.00 0.00 ? 52 GLN A CB 1
1059
+ ATOM 796 C CG . GLN A 1 52 ? -6.992 10.823 3.741 1.00 0.00 ? 52 GLN A CG 1
1060
+ ATOM 797 C CD . GLN A 1 52 ? -8.357 10.970 4.383 1.00 0.00 ? 52 GLN A CD 1
1061
+ ATOM 798 O OE1 . GLN A 1 52 ? -9.033 9.984 4.684 1.00 0.00 ? 52 GLN A OE1 1
1062
+ ATOM 799 N NE2 . GLN A 1 52 ? -8.773 12.204 4.597 1.00 0.00 ? 52 GLN A NE2 1
1063
+ ATOM 800 H H . GLN A 1 52 ? -6.474 8.297 2.219 1.00 0.00 ? 52 GLN A H 1
1064
+ ATOM 801 H HA . GLN A 1 52 ? -8.913 9.768 2.155 1.00 0.00 ? 52 GLN A HA 1
1065
+ ATOM 802 H HB2 . GLN A 1 52 ? -6.049 10.654 1.847 1.00 0.00 ? 52 GLN A HB2 1
1066
+ ATOM 803 H HB3 . GLN A 1 52 ? -7.411 11.764 1.885 1.00 0.00 ? 52 GLN A HB3 1
1067
+ ATOM 804 H HG2 . GLN A 1 52 ? -6.551 9.899 4.082 1.00 0.00 ? 52 GLN A HG2 1
1068
+ ATOM 805 H HG3 . GLN A 1 52 ? -6.374 11.652 4.053 1.00 0.00 ? 52 GLN A HG3 1
1069
+ ATOM 806 H HE21 . GLN A 1 52 ? -8.181 12.947 4.332 1.00 0.00 ? 52 GLN A HE21 1
1070
+ ATOM 807 H HE22 . GLN A 1 52 ? -9.654 12.335 5.003 1.00 0.00 ? 52 GLN A HE22 1
1071
+ ATOM 808 N N . GLN A 1 53 ? -7.566 9.107 -0.679 1.00 0.00 ? 53 GLN A N 1
1072
+ ATOM 809 C CA . GLN A 1 53 ? -7.776 9.184 -2.126 1.00 0.00 ? 53 GLN A CA 1
1073
+ ATOM 810 C C . GLN A 1 53 ? -9.100 8.535 -2.504 1.00 0.00 ? 53 GLN A C 1
1074
+ ATOM 811 O O . GLN A 1 53 ? -9.608 8.721 -3.608 1.00 0.00 ? 53 GLN A O 1
1075
+ ATOM 812 C CB . GLN A 1 53 ? -6.638 8.503 -2.891 1.00 0.00 ? 53 GLN A CB 1
1076
+ ATOM 813 C CG . GLN A 1 53 ? -5.312 9.238 -2.811 1.00 0.00 ? 53 GLN A CG 1
1077
+ ATOM 814 C CD . GLN A 1 53 ? -4.205 8.546 -3.585 1.00 0.00 ? 53 GLN A CD 1
1078
+ ATOM 815 O OE1 . GLN A 1 53 ? -3.033 8.630 -3.219 1.00 0.00 ? 53 GLN A OE1 1
1079
+ ATOM 816 N NE2 . GLN A 1 53 ? -4.559 7.864 -4.666 1.00 0.00 ? 53 GLN A NE2 1
1080
+ ATOM 817 H H . GLN A 1 53 ? -6.955 8.428 -0.320 1.00 0.00 ? 53 GLN A H 1
1081
+ ATOM 818 H HA . GLN A 1 53 ? -7.811 10.227 -2.401 1.00 0.00 ? 53 GLN A HA 1
1082
+ ATOM 819 H HB2 . GLN A 1 53 ? -6.497 7.509 -2.491 1.00 0.00 ? 53 GLN A HB2 1
1083
+ ATOM 820 H HB3 . GLN A 1 53 ? -6.917 8.424 -3.931 1.00 0.00 ? 53 GLN A HB3 1
1084
+ ATOM 821 H HG2 . GLN A 1 53 ? -5.443 10.231 -3.214 1.00 0.00 ? 53 GLN A HG2 1
1085
+ ATOM 822 H HG3 . GLN A 1 53 ? -5.016 9.310 -1.775 1.00 0.00 ? 53 GLN A HG3 1
1086
+ ATOM 823 H HE21 . GLN A 1 53 ? -5.515 7.835 -4.913 1.00 0.00 ? 53 GLN A HE21 1
1087
+ ATOM 824 H HE22 . GLN A 1 53 ? -3.856 7.421 -5.181 1.00 0.00 ? 53 GLN A HE22 1
1088
+ ATOM 825 N N . GLN A 1 54 ? -9.651 7.770 -1.577 1.00 0.00 ? 54 GLN A N 1
1089
+ ATOM 826 C CA . GLN A 1 54 ? -10.914 7.094 -1.802 1.00 0.00 ? 54 GLN A CA 1
1090
+ ATOM 827 C C . GLN A 1 54 ? -12.076 8.058 -1.635 1.00 0.00 ? 54 GLN A C 1
1091
+ ATOM 828 O O . GLN A 1 54 ? -12.136 8.810 -0.659 1.00 0.00 ? 54 GLN A O 1
1092
+ ATOM 829 C CB . GLN A 1 54 ? -11.070 5.926 -0.833 1.00 0.00 ? 54 GLN A CB 1
1093
+ ATOM 830 C CG . GLN A 1 54 ? -10.068 4.813 -1.063 1.00 0.00 ? 54 GLN A CG 1
1094
+ ATOM 831 C CD . GLN A 1 54 ? -10.315 4.071 -2.356 1.00 0.00 ? 54 GLN A CD 1
1095
+ ATOM 832 O OE1 . GLN A 1 54 ? -11.060 3.094 -2.385 1.00 0.00 ? 54 GLN A OE1 1
1096
+ ATOM 833 N NE2 . GLN A 1 54 ? -9.695 4.528 -3.434 1.00 0.00 ? 54 GLN A NE2 1
1097
+ ATOM 834 H H . GLN A 1 54 ? -9.200 7.666 -0.713 1.00 0.00 ? 54 GLN A H 1
1098
+ ATOM 835 H HA . GLN A 1 54 ? -10.914 6.716 -2.813 1.00 0.00 ? 54 GLN A HA 1
1099
+ ATOM 836 H HB2 . GLN A 1 54 ? -10.948 6.288 0.176 1.00 0.00 ? 54 GLN A HB2 1
1100
+ ATOM 837 H HB3 . GLN A 1 54 ? -12.062 5.513 -0.941 1.00 0.00 ? 54 GLN A HB3 1
1101
+ ATOM 838 H HG2 . GLN A 1 54 ? -9.080 5.241 -1.096 1.00 0.00 ? 54 GLN A HG2 1
1102
+ ATOM 839 H HG3 . GLN A 1 54 ? -10.134 4.114 -0.245 1.00 0.00 ? 54 GLN A HG3 1
1103
+ ATOM 840 H HE21 . GLN A 1 54 ? -9.118 5.314 -3.339 1.00 0.00 ? 54 GLN A HE21 1
1104
+ ATOM 841 H HE22 . GLN A 1 54 ? -9.838 4.056 -4.289 1.00 0.00 ? 54 GLN A HE22 1
1105
+ ATOM 842 N N . PRO A 1 55 ? -12.997 8.065 -2.601 1.00 0.00 ? 55 PRO A N 1
1106
+ ATOM 843 C CA . PRO A 1 55 ? -14.232 8.841 -2.513 1.00 0.00 ? 55 PRO A CA 1
1107
+ ATOM 844 C C . PRO A 1 55 ? -15.134 8.286 -1.423 1.00 0.00 ? 55 PRO A C 1
1108
+ ATOM 845 O O . PRO A 1 55 ? -15.925 7.370 -1.647 1.00 0.00 ? 55 PRO A O 1
1109
+ ATOM 846 C CB . PRO A 1 55 ? -14.869 8.679 -3.897 1.00 0.00 ? 55 PRO A CB 1
1110
+ ATOM 847 C CG . PRO A 1 55 ? -14.274 7.430 -4.453 1.00 0.00 ? 55 PRO A CG 1
1111
+ ATOM 848 C CD . PRO A 1 55 ? -12.894 7.319 -3.863 1.00 0.00 ? 55 PRO A CD 1
1112
+ ATOM 849 H HA . PRO A 1 55 ? -14.031 9.884 -2.312 1.00 0.00 ? 55 PRO A HA 1
1113
+ ATOM 850 H HB2 . PRO A 1 55 ? -15.940 8.593 -3.793 1.00 0.00 ? 55 PRO A HB2 1
1114
+ ATOM 851 H HB3 . PRO A 1 55 ? -14.630 9.535 -4.509 1.00 0.00 ? 55 PRO A HB3 1
1115
+ ATOM 852 H HG2 . PRO A 1 55 ? -14.874 6.579 -4.165 1.00 0.00 ? 55 PRO A HG2 1
1116
+ ATOM 853 H HG3 . PRO A 1 55 ? -14.214 7.498 -5.529 1.00 0.00 ? 55 PRO A HG3 1
1117
+ ATOM 854 H HD2 . PRO A 1 55 ? -12.639 6.285 -3.674 1.00 0.00 ? 55 PRO A HD2 1
1118
+ ATOM 855 H HD3 . PRO A 1 55 ? -12.166 7.774 -4.518 1.00 0.00 ? 55 PRO A HD3 1
1119
+ ATOM 856 N N . MET A 1 56 ? -14.984 8.839 -0.235 1.00 0.00 ? 56 MET A N 1
1120
+ ATOM 857 C CA . MET A 1 56 ? -15.638 8.320 0.949 1.00 0.00 ? 56 MET A CA 1
1121
+ ATOM 858 C C . MET A 1 56 ? -16.934 9.068 1.228 1.00 0.00 ? 56 MET A C 1
1122
+ ATOM 859 O O . MET A 1 56 ? -16.947 10.300 1.279 1.00 0.00 ? 56 MET A O 1
1123
+ ATOM 860 C CB . MET A 1 56 ? -14.686 8.444 2.137 1.00 0.00 ? 56 MET A CB 1
1124
+ ATOM 861 C CG . MET A 1 56 ? -15.202 7.807 3.416 1.00 0.00 ? 56 MET A CG 1
1125
+ ATOM 862 S SD . MET A 1 56 ? -14.057 7.998 4.796 1.00 0.00 ? 56 MET A SD 1
1126
+ ATOM 863 C CE . MET A 1 56 ? -14.864 6.998 6.042 1.00 0.00 ? 56 MET A CE 1
1127
+ ATOM 864 H H . MET A 1 56 ? -14.411 9.630 -0.152 1.00 0.00 ? 56 MET A H 1
1128
+ ATOM 865 H HA . MET A 1 56 ? -15.862 7.279 0.780 1.00 0.00 ? 56 MET A HA 1
1129
+ ATOM 866 H HB2 . MET A 1 56 ? -13.751 7.972 1.876 1.00 0.00 ? 56 MET A HB2 1
1130
+ ATOM 867 H HB3 . MET A 1 56 ? -14.507 9.492 2.323 1.00 0.00 ? 56 MET A HB3 1
1131
+ ATOM 868 H HG2 . MET A 1 56 ? -16.142 8.269 3.678 1.00 0.00 ? 56 MET A HG2 1
1132
+ ATOM 869 H HG3 . MET A 1 56 ? -15.357 6.753 3.240 1.00 0.00 ? 56 MET A HG3 1
1133
+ ATOM 870 H HE1 . MET A 1 56 ? -15.858 7.379 6.221 1.00 0.00 ? 56 MET A HE1 1
1134
+ ATOM 871 H HE2 . MET A 1 56 ? -14.293 7.034 6.960 1.00 0.00 ? 56 MET A HE2 1
1135
+ ATOM 872 H HE3 . MET A 1 56 ? -14.928 5.976 5.698 1.00 0.00 ? 56 MET A HE3 1
1136
+ ATOM 873 N N . ASN A 1 57 ? -18.014 8.307 1.400 1.00 0.00 ? 57 ASN A N 1
1137
+ ATOM 874 C CA . ASN A 1 57 ? -19.334 8.864 1.706 1.00 0.00 ? 57 ASN A CA 1
1138
+ ATOM 875 C C . ASN A 1 57 ? -19.873 9.658 0.522 1.00 0.00 ? 57 ASN A C 1
1139
+ ATOM 876 O O . ASN A 1 57 ? -19.877 10.890 0.532 1.00 0.00 ? 57 ASN A O 1
1140
+ ATOM 877 C CB . ASN A 1 57 ? -19.294 9.747 2.962 1.00 0.00 ? 57 ASN A CB 1
1141
+ ATOM 878 C CG . ASN A 1 57 ? -19.181 8.957 4.258 1.00 0.00 ? 57 ASN A CG 1
1142
+ ATOM 879 O OD1 . ASN A 1 57 ? -19.626 9.414 5.310 1.00 0.00 ? 57 ASN A OD1 1
1143
+ ATOM 880 N ND2 . ASN A 1 57 ? -18.599 7.770 4.197 1.00 0.00 ? 57 ASN A ND2 1
1144
+ ATOM 881 H H . ASN A 1 57 ? -17.924 7.332 1.302 1.00 0.00 ? 57 ASN A H 1
1145
+ ATOM 882 H HA . ASN A 1 57 ? -19.999 8.034 1.888 1.00 0.00 ? 57 ASN A HA 1
1146
+ ATOM 883 H HB2 . ASN A 1 57 ? -18.442 10.409 2.896 1.00 0.00 ? 57 ASN A HB2 1
1147
+ ATOM 884 H HB3 . ASN A 1 57 ? -20.196 10.338 3.003 1.00 0.00 ? 57 ASN A HB3 1
1148
+ ATOM 885 H HD21 . ASN A 1 57 ? -18.276 7.454 3.326 1.00 0.00 ? 57 ASN A HD21 1
1149
+ ATOM 886 H HD22 . ASN A 1 57 ? -18.513 7.254 5.028 1.00 0.00 ? 57 ASN A HD22 1
1150
+ ATOM 887 N N . GLU A 1 58 ? -20.315 8.939 -0.497 1.00 0.00 ? 58 GLU A N 1
1151
+ ATOM 888 C CA . GLU A 1 58 ? -20.901 9.559 -1.674 1.00 0.00 ? 58 GLU A CA 1
1152
+ ATOM 889 C C . GLU A 1 58 ? -22.385 9.824 -1.443 1.00 0.00 ? 58 GLU A C 1
1153
+ ATOM 890 O O . GLU A 1 58 ? -23.179 8.858 -1.500 1.00 0.00 ? 58 GLU A O 1
1154
+ ATOM 891 C CB . GLU A 1 58 ? -20.713 8.659 -2.894 1.00 0.00 ? 58 GLU A CB 1
1155
+ ATOM 892 C CG . GLU A 1 58 ? -19.259 8.430 -3.271 1.00 0.00 ? 58 GLU A CG 1
1156
+ ATOM 893 C CD . GLU A 1 58 ? -18.580 9.694 -3.755 1.00 0.00 ? 58 GLU A CD 1
1157
+ ATOM 894 O OE1 . GLU A 1 58 ? -18.807 10.080 -4.921 1.00 0.00 ? 58 GLU A OE1 1
1158
+ ATOM 895 O OE2 . GLU A 1 58 ? -17.824 10.306 -2.975 1.00 0.00 ? 58 GLU A OE2 1
1159
+ ATOM 896 O OXT . GLU A 1 58 ? -22.752 10.992 -1.201 1.00 0.00 ? 58 GLU A OXT 1
1160
+ ATOM 897 H H . GLU A 1 58 ? -20.250 7.960 -0.458 1.00 0.00 ? 58 GLU A H 1
1161
+ ATOM 898 H HA . GLU A 1 58 ? -20.398 10.498 -1.844 1.00 0.00 ? 58 GLU A HA 1
1162
+ ATOM 899 H HB2 . GLU A 1 58 ? -21.165 7.701 -2.691 1.00 0.00 ? 58 GLU A HB2 1
1163
+ ATOM 900 H HB3 . GLU A 1 58 ? -21.212 9.110 -3.740 1.00 0.00 ? 58 GLU A HB3 1
1164
+ ATOM 901 H HG2 . GLU A 1 58 ? -18.729 8.063 -2.406 1.00 0.00 ? 58 GLU A HG2 1
1165
+ ATOM 902 H HG3 . GLU A 1 58 ? -19.216 7.693 -4.060 1.00 0.00 ? 58 GLU A HG3 1
1166
+ #
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@@ -0,0 +1,1239 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_2NPT_A
2
+ #
3
+ _pdbx_database_status.entry_id 2NPT_A
4
+ _pdbx_database_status.status_code .
5
+ _pdbx_database_status.status_code_sf ?
6
+ _pdbx_database_status.status_code_mr ?
7
+ _pdbx_database_status.status_code_cs ?
8
+ _pdbx_database_status.recvd_initial_deposition_date ?
9
+ _pdbx_database_status.status_code_nmr_data ?
10
+ _pdbx_database_status.deposit_site ?
11
+ _pdbx_database_status.process_site ?
12
+ _pdbx_database_status.SG_entry ?
13
+ _pdbx_database_status.pdb_format_compatible Y
14
+ _pdbx_database_status.methods_development_category ?
15
+ #
16
+ _entity_poly.entity_id 1
17
+ _entity_poly.type "polypeptide(L)"
18
+ _entity_poly.nstd_linkage no
19
+ _entity_poly.nstd_monomer no
20
+ _entity_poly.pdbx_seq_one_letter_code
21
+ ;SMALGPFPAMQVLVIRIKIPNSGAVDWTVHSQLLFRDVLDVIGQVLPEATTTAFEYEDEDGDRITVRSDEEMKAMLSYYY
22
+ STVMEQQVNGQLIEPLQIFPRA
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;SMALGPFPAMQVLVIRIKIPNSGAVDWTVHSQLLFRDVLDVIGQVLPEATTTAFEYEDEDGDRITVRSDEEMKAMLSYYY
26
+ STVMEQQVNGQLIEPLQIFPRA
27
+ ;
28
+ _entity_poly.pdbx_strand_id A
29
+ _entity_poly.pdbx_target_identifier ?
30
+ #
31
+ loop_
32
+ _entity_poly_seq.entity_id
33
+ _entity_poly_seq.num
34
+ _entity_poly_seq.mon_id
35
+ _entity_poly_seq.hetero
36
+ 1 1 SER n
37
+ 1 2 MET n
38
+ 1 3 ALA n
39
+ 1 4 LEU n
40
+ 1 5 GLY n
41
+ 1 6 PRO n
42
+ 1 7 PHE n
43
+ 1 8 PRO n
44
+ 1 9 ALA n
45
+ 1 10 MET n
46
+ 1 11 GLN n
47
+ 1 12 VAL n
48
+ 1 13 LEU n
49
+ 1 14 VAL n
50
+ 1 15 ILE n
51
+ 1 16 ARG n
52
+ 1 17 ILE n
53
+ 1 18 LYS n
54
+ 1 19 ILE n
55
+ 1 20 PRO n
56
+ 1 21 ASN n
57
+ 1 22 SER n
58
+ 1 23 GLY n
59
+ 1 24 ALA n
60
+ 1 25 VAL n
61
+ 1 26 ASP n
62
+ 1 27 TRP n
63
+ 1 28 THR n
64
+ 1 29 VAL n
65
+ 1 30 HIS n
66
+ 1 31 SER n
67
+ 1 32 GLN n
68
+ 1 33 LEU n
69
+ 1 34 LEU n
70
+ 1 35 PHE n
71
+ 1 36 ARG n
72
+ 1 37 ASP n
73
+ 1 38 VAL n
74
+ 1 39 LEU n
75
+ 1 40 ASP n
76
+ 1 41 VAL n
77
+ 1 42 ILE n
78
+ 1 43 GLY n
79
+ 1 44 GLN n
80
+ 1 45 VAL n
81
+ 1 46 LEU n
82
+ 1 47 PRO n
83
+ 1 48 GLU n
84
+ 1 49 ALA n
85
+ 1 50 THR n
86
+ 1 51 THR n
87
+ 1 52 THR n
88
+ 1 53 ALA n
89
+ 1 54 PHE n
90
+ 1 55 GLU n
91
+ 1 56 TYR n
92
+ 1 57 GLU n
93
+ 1 58 ASP n
94
+ 1 59 GLU n
95
+ 1 60 ASP n
96
+ 1 61 GLY n
97
+ 1 62 ASP n
98
+ 1 63 ARG n
99
+ 1 64 ILE n
100
+ 1 65 THR n
101
+ 1 66 VAL n
102
+ 1 67 ARG n
103
+ 1 68 SER n
104
+ 1 69 ASP n
105
+ 1 70 GLU n
106
+ 1 71 GLU n
107
+ 1 72 MET n
108
+ 1 73 LYS n
109
+ 1 74 ALA n
110
+ 1 75 MET n
111
+ 1 76 LEU n
112
+ 1 77 SER n
113
+ 1 78 TYR n
114
+ 1 79 TYR n
115
+ 1 80 TYR n
116
+ 1 81 SER n
117
+ 1 82 THR n
118
+ 1 83 VAL n
119
+ 1 84 MET n
120
+ 1 85 GLU n
121
+ 1 86 GLN n
122
+ 1 87 GLN n
123
+ 1 88 VAL n
124
+ 1 89 ASN n
125
+ 1 90 GLY n
126
+ 1 91 GLN n
127
+ 1 92 LEU n
128
+ 1 93 ILE n
129
+ 1 94 GLU n
130
+ 1 95 PRO n
131
+ 1 96 LEU n
132
+ 1 97 GLN n
133
+ 1 98 ILE n
134
+ 1 99 PHE n
135
+ 1 100 PRO n
136
+ 1 101 ARG n
137
+ 1 102 ALA n
138
+ #
139
+ _entity.id 1
140
+ _entity.type polymer
141
+ _entity.src_method man
142
+ _entity.pdbx_description ?
143
+ _entity.formula_weight 11544.115
144
+ _entity.pdbx_number_of_molecules 1
145
+ _entity.pdbx_ec ?
146
+ _entity.pdbx_mutation ?
147
+ _entity.pdbx_fragment ?
148
+ _entity.details ?
149
+ #
150
+ loop_
151
+ _pdbx_poly_seq_scheme.asym_id
152
+ _pdbx_poly_seq_scheme.entity_id
153
+ _pdbx_poly_seq_scheme.seq_id
154
+ _pdbx_poly_seq_scheme.mon_id
155
+ _pdbx_poly_seq_scheme.ndb_seq_num
156
+ _pdbx_poly_seq_scheme.pdb_seq_num
157
+ _pdbx_poly_seq_scheme.auth_seq_num
158
+ _pdbx_poly_seq_scheme.pdb_mon_id
159
+ _pdbx_poly_seq_scheme.auth_mon_id
160
+ _pdbx_poly_seq_scheme.pdb_strand_id
161
+ _pdbx_poly_seq_scheme.pdb_ins_code
162
+ _pdbx_poly_seq_scheme.hetero
163
+ A 1 1 SER 1 1 1 SER SER A . n
164
+ A 1 2 MET 2 2 2 MET MET A . n
165
+ A 1 3 ALA 3 3 3 ALA ALA A . n
166
+ A 1 4 LEU 4 4 4 LEU LEU A . n
167
+ A 1 5 GLY 5 5 5 GLY GLY A . n
168
+ A 1 6 PRO 6 6 6 PRO PRO A . n
169
+ A 1 7 PHE 7 7 7 PHE PHE A . n
170
+ A 1 8 PRO 8 8 8 PRO PRO A . n
171
+ A 1 9 ALA 9 9 9 ALA ALA A . n
172
+ A 1 10 MET 10 10 10 MET MET A . n
173
+ A 1 11 GLN 11 11 11 GLN GLN A . n
174
+ A 1 12 VAL 12 12 12 VAL VAL A . n
175
+ A 1 13 LEU 13 13 13 LEU LEU A . n
176
+ A 1 14 VAL 14 14 14 VAL VAL A . n
177
+ A 1 15 ILE 15 15 15 ILE ILE A . n
178
+ A 1 16 ARG 16 16 16 ARG ARG A . n
179
+ A 1 17 ILE 17 17 17 ILE ILE A . n
180
+ A 1 18 LYS 18 18 18 LYS LYS A . n
181
+ A 1 19 ILE 19 19 19 ILE ILE A . n
182
+ A 1 20 PRO 20 20 20 PRO PRO A . n
183
+ A 1 21 ASN 21 21 21 ASN ASN A . n
184
+ A 1 22 SER 22 22 22 SER SER A . n
185
+ A 1 23 GLY 23 23 23 GLY GLY A . n
186
+ A 1 24 ALA 24 24 24 ALA ALA A . n
187
+ A 1 25 VAL 25 25 25 VAL VAL A . n
188
+ A 1 26 ASP 26 26 26 ASP ASP A . n
189
+ A 1 27 TRP 27 27 27 TRP TRP A . n
190
+ A 1 28 THR 28 28 28 THR THR A . n
191
+ A 1 29 VAL 29 29 29 VAL VAL A . n
192
+ A 1 30 HIS 30 30 30 HIS HIS A . n
193
+ A 1 31 SER 31 31 31 SER SER A . n
194
+ A 1 32 GLN 32 32 32 GLN GLN A . n
195
+ A 1 33 LEU 33 33 33 LEU LEU A . n
196
+ A 1 34 LEU 34 34 34 LEU LEU A . n
197
+ A 1 35 PHE 35 35 35 PHE PHE A . n
198
+ A 1 36 ARG 36 36 36 ARG ARG A . n
199
+ A 1 37 ASP 37 37 37 ASP ASP A . n
200
+ A 1 38 VAL 38 38 38 VAL VAL A . n
201
+ A 1 39 LEU 39 39 39 LEU LEU A . n
202
+ A 1 40 ASP 40 40 40 ASP ASP A . n
203
+ A 1 41 VAL 41 41 41 VAL VAL A . n
204
+ A 1 42 ILE 42 42 42 ILE ILE A . n
205
+ A 1 43 GLY 43 43 43 GLY GLY A . n
206
+ A 1 44 GLN 44 44 44 GLN GLN A . n
207
+ A 1 45 VAL 45 45 45 VAL VAL A . n
208
+ A 1 46 LEU 46 46 46 LEU LEU A . n
209
+ A 1 47 PRO 47 47 47 PRO PRO A . n
210
+ A 1 48 GLU 48 48 48 GLU GLU A . n
211
+ A 1 49 ALA 49 49 49 ALA ALA A . n
212
+ A 1 50 THR 50 50 50 THR THR A . n
213
+ A 1 51 THR 51 51 51 THR THR A . n
214
+ A 1 52 THR 52 52 52 THR THR A . n
215
+ A 1 53 ALA 53 53 53 ALA ALA A . n
216
+ A 1 54 PHE 54 54 54 PHE PHE A . n
217
+ A 1 55 GLU 55 55 55 GLU GLU A . n
218
+ A 1 56 TYR 56 56 56 TYR TYR A . n
219
+ A 1 57 GLU 57 57 57 GLU GLU A . n
220
+ A 1 58 ASP 58 58 58 ASP ASP A . n
221
+ A 1 59 GLU 59 59 59 GLU GLU A . n
222
+ A 1 60 ASP 60 60 60 ASP ASP A . n
223
+ A 1 61 GLY 61 61 61 GLY GLY A . n
224
+ A 1 62 ASP 62 62 62 ASP ASP A . n
225
+ A 1 63 ARG 63 63 63 ARG ARG A . n
226
+ A 1 64 ILE 64 64 64 ILE ILE A . n
227
+ A 1 65 THR 65 65 65 THR THR A . n
228
+ A 1 66 VAL 66 66 66 VAL VAL A . n
229
+ A 1 67 ARG 67 67 67 ARG ARG A . n
230
+ A 1 68 SER 68 68 68 SER SER A . n
231
+ A 1 69 ASP 69 69 69 ASP ASP A . n
232
+ A 1 70 GLU 70 70 70 GLU GLU A . n
233
+ A 1 71 GLU 71 71 71 GLU GLU A . n
234
+ A 1 72 MET 72 72 72 MET MET A . n
235
+ A 1 73 LYS 73 73 73 LYS LYS A . n
236
+ A 1 74 ALA 74 74 74 ALA ALA A . n
237
+ A 1 75 MET 75 75 75 MET MET A . n
238
+ A 1 76 LEU 76 76 76 LEU LEU A . n
239
+ A 1 77 SER 77 77 77 SER SER A . n
240
+ A 1 78 TYR 78 78 78 TYR TYR A . n
241
+ A 1 79 TYR 79 79 79 TYR TYR A . n
242
+ A 1 80 TYR 80 80 80 TYR TYR A . n
243
+ A 1 81 SER 81 81 81 SER SER A . n
244
+ A 1 82 THR 82 82 82 THR THR A . n
245
+ A 1 83 VAL 83 83 83 VAL VAL A . n
246
+ A 1 84 MET 84 84 84 MET MET A . n
247
+ A 1 85 GLU 85 85 85 GLU GLU A . n
248
+ A 1 86 GLN 86 86 86 GLN GLN A . n
249
+ A 1 87 GLN 87 87 87 GLN GLN A . n
250
+ A 1 88 VAL 88 88 88 VAL VAL A . n
251
+ A 1 89 ASN 89 89 89 ASN ASN A . n
252
+ A 1 90 GLY 90 90 90 GLY GLY A . n
253
+ A 1 91 GLN 91 91 91 GLN GLN A . n
254
+ A 1 92 LEU 92 92 92 LEU LEU A . n
255
+ A 1 93 ILE 93 93 93 ILE ILE A . n
256
+ A 1 94 GLU 94 94 94 GLU GLU A . n
257
+ A 1 95 PRO 95 95 95 PRO PRO A . n
258
+ A 1 96 LEU 96 96 96 LEU LEU A . n
259
+ A 1 97 GLN 97 97 97 GLN GLN A . n
260
+ A 1 98 ILE 98 98 98 ILE ILE A . n
261
+ A 1 99 PHE 99 99 99 PHE PHE A . n
262
+ A 1 100 PRO 100 100 100 PRO PRO A . n
263
+ A 1 101 ARG 101 101 101 ARG ARG A . n
264
+ A 1 102 ALA 102 102 102 ALA ALA A . n
265
+ #
266
+ loop_
267
+ _chem_comp.id
268
+ _chem_comp.type
269
+ _chem_comp.mon_nstd_flag
270
+ _chem_comp.name
271
+ _chem_comp.pdbx_synonyms
272
+ _chem_comp.formula
273
+ _chem_comp.formula_weight
274
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
275
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
276
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
277
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
278
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
279
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
280
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
281
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
282
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
283
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
284
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
285
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
286
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
287
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
288
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
289
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
290
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
291
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
292
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
293
+ #
294
+ _struct_asym.id A
295
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
296
+ _struct_asym.pdbx_modified N
297
+ _struct_asym.entity_id 1
298
+ _struct_asym.details ?
299
+ #
300
+ _atom_sites.entry_id 2NPT_A
301
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
302
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
303
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
304
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
305
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
306
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
307
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
308
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
309
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
310
+ _atom_sites.fract_transf_vector[1] 0.00000
311
+ _atom_sites.fract_transf_vector[2] 0.00000
312
+ _atom_sites.fract_transf_vector[3] 0.00000
313
+ #
314
+ loop_
315
+ _pdbx_validate_rmsd_angle.id
316
+ _pdbx_validate_rmsd_angle.PDB_model_num
317
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
318
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
319
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
320
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
321
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
322
+ _pdbx_validate_rmsd_angle.label_alt_id_1
323
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
324
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
325
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
326
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
327
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
328
+ _pdbx_validate_rmsd_angle.label_alt_id_2
329
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
330
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
331
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
332
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
333
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
334
+ _pdbx_validate_rmsd_angle.label_alt_id_3
335
+ _pdbx_validate_rmsd_angle.angle_value
336
+ _pdbx_validate_rmsd_angle.angle_target_value
337
+ _pdbx_validate_rmsd_angle.angle_deviation
338
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
339
+ _pdbx_validate_rmsd_angle.linker_flag
340
+ 1 1 NE A ARG 63 ? ? CZ A ARG 63 ? ? NH1 A ARG 63 ? ? 125.02 120.30 4.72 0.50 N
341
+ 2 1 NE A ARG 63 ? ? CZ A ARG 63 ? ? NH2 A ARG 63 ? ? 115.97 120.30 -4.33 0.50 N
342
+ #
343
+ _pdbx_validate_torsion.id 1
344
+ _pdbx_validate_torsion.PDB_model_num 1
345
+ _pdbx_validate_torsion.auth_comp_id SER
346
+ _pdbx_validate_torsion.auth_asym_id A
347
+ _pdbx_validate_torsion.auth_seq_id 22
348
+ _pdbx_validate_torsion.PDB_ins_code ?
349
+ _pdbx_validate_torsion.label_alt_id ?
350
+ _pdbx_validate_torsion.phi -140.15
351
+ _pdbx_validate_torsion.psi -25.05
352
+ #
353
+ loop_
354
+ _pdbx_validate_polymer_linkage.id
355
+ _pdbx_validate_polymer_linkage.PDB_model_num
356
+ _pdbx_validate_polymer_linkage.auth_atom_id_1
357
+ _pdbx_validate_polymer_linkage.auth_asym_id_1
358
+ _pdbx_validate_polymer_linkage.auth_comp_id_1
359
+ _pdbx_validate_polymer_linkage.auth_seq_id_1
360
+ _pdbx_validate_polymer_linkage.PDB_ins_code_1
361
+ _pdbx_validate_polymer_linkage.label_alt_id_1
362
+ _pdbx_validate_polymer_linkage.auth_atom_id_2
363
+ _pdbx_validate_polymer_linkage.auth_asym_id_2
364
+ _pdbx_validate_polymer_linkage.auth_comp_id_2
365
+ _pdbx_validate_polymer_linkage.auth_seq_id_2
366
+ _pdbx_validate_polymer_linkage.PDB_ins_code_2
367
+ _pdbx_validate_polymer_linkage.label_alt_id_2
368
+ _pdbx_validate_polymer_linkage.dist
369
+ 1 1 C A MET 10 ? ? N A GLN 11 ? ? 5.92
370
+ 2 1 C A SER 31 ? ? N A GLN 32 ? ? 6.63
371
+ #
372
+ loop_
373
+ _pdbx_unobs_or_zero_occ_atoms.id
374
+ _pdbx_unobs_or_zero_occ_atoms.PDB_model_num
375
+ _pdbx_unobs_or_zero_occ_atoms.polymer_flag
376
+ _pdbx_unobs_or_zero_occ_atoms.occupancy_flag
377
+ _pdbx_unobs_or_zero_occ_atoms.auth_asym_id
378
+ _pdbx_unobs_or_zero_occ_atoms.auth_comp_id
379
+ _pdbx_unobs_or_zero_occ_atoms.auth_seq_id
380
+ _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
381
+ _pdbx_unobs_or_zero_occ_atoms.auth_atom_id
382
+ _pdbx_unobs_or_zero_occ_atoms.label_alt_id
383
+ _pdbx_unobs_or_zero_occ_atoms.label_asym_id
384
+ _pdbx_unobs_or_zero_occ_atoms.label_comp_id
385
+ _pdbx_unobs_or_zero_occ_atoms.label_seq_id
386
+ _pdbx_unobs_or_zero_occ_atoms.label_atom_id
387
+ 1 1 Y 1 A GLN 11 ? CG ? A GLN 11 CG
388
+ 2 1 Y 1 A GLN 11 ? CD ? A GLN 11 CD
389
+ 3 1 Y 1 A GLN 11 ? OE1 ? A GLN 11 OE1
390
+ 4 1 Y 1 A GLN 11 ? NE2 ? A GLN 11 NE2
391
+ 5 1 Y 1 A HIS 30 ? CG ? A HIS 30 CG
392
+ 6 1 Y 1 A HIS 30 ? ND1 ? A HIS 30 ND1
393
+ 7 1 Y 1 A HIS 30 ? CD2 ? A HIS 30 CD2
394
+ 8 1 Y 1 A HIS 30 ? CE1 ? A HIS 30 CE1
395
+ 9 1 Y 1 A HIS 30 ? NE2 ? A HIS 30 NE2
396
+ 10 1 Y 1 A SER 31 ? OG ? A SER 31 OG
397
+ 11 1 Y 1 A GLN 32 ? CG ? A GLN 32 CG
398
+ 12 1 Y 1 A GLN 32 ? CD ? A GLN 32 CD
399
+ 13 1 Y 1 A GLN 32 ? OE1 ? A GLN 32 OE1
400
+ 14 1 Y 1 A GLN 32 ? NE2 ? A GLN 32 NE2
401
+ 15 1 Y 1 A GLU 85 ? OE1 ? A GLU 85 OE1
402
+ 16 1 Y 1 A GLU 85 ? OE2 ? A GLU 85 OE2
403
+ 17 1 Y 1 A LEU 92 ? CG ? A LEU 92 CG
404
+ 18 1 Y 1 A LEU 92 ? CD1 ? A LEU 92 CD1
405
+ 19 1 Y 1 A LEU 92 ? CD2 ? A LEU 92 CD2
406
+ #
407
+ loop_
408
+ _atom_type.symbol
409
+ C
410
+ N
411
+ O
412
+ S
413
+ #
414
+ _entry.id 2NPT_A
415
+ #
416
+ loop_
417
+ _atom_site.group_PDB
418
+ _atom_site.id
419
+ _atom_site.type_symbol
420
+ _atom_site.label_atom_id
421
+ _atom_site.label_alt_id
422
+ _atom_site.label_comp_id
423
+ _atom_site.label_asym_id
424
+ _atom_site.label_entity_id
425
+ _atom_site.label_seq_id
426
+ _atom_site.pdbx_PDB_ins_code
427
+ _atom_site.Cartn_x
428
+ _atom_site.Cartn_y
429
+ _atom_site.Cartn_z
430
+ _atom_site.occupancy
431
+ _atom_site.B_iso_or_equiv
432
+ _atom_site.pdbx_formal_charge
433
+ _atom_site.auth_seq_id
434
+ _atom_site.auth_comp_id
435
+ _atom_site.auth_asym_id
436
+ _atom_site.auth_atom_id
437
+ _atom_site.pdbx_PDB_model_num
438
+ ATOM 1 N N . SER A 1 1 ? 22.104 88.341 48.801 1.00 32.14 ? 1 SER A N 1
439
+ ATOM 2 C CA . SER A 1 1 ? 21.113 87.358 49.328 1.00 32.71 ? 1 SER A CA 1
440
+ ATOM 3 C C . SER A 1 1 ? 21.380 85.949 48.782 1.00 31.73 ? 1 SER A C 1
441
+ ATOM 4 O O . SER A 1 1 ? 21.942 85.794 47.718 1.00 30.17 ? 1 SER A O 1
442
+ ATOM 5 C CB . SER A 1 1 ? 19.703 87.789 48.970 1.00 33.22 ? 1 SER A CB 1
443
+ ATOM 6 O OG . SER A 1 1 ? 19.490 87.796 47.571 1.00 34.64 ? 1 SER A OG 1
444
+ ATOM 7 N N . MET A 1 2 ? 20.956 84.934 49.523 1.00 31.10 ? 2 MET A N 1
445
+ ATOM 8 C CA . MET A 1 2 ? 21.146 83.532 49.129 1.00 31.44 ? 2 MET A CA 1
446
+ ATOM 9 C C . MET A 1 2 ? 19.820 82.787 49.073 1.00 29.75 ? 2 MET A C 1
447
+ ATOM 10 O O . MET A 1 2 ? 18.945 82.960 49.959 1.00 27.70 ? 2 MET A O 1
448
+ ATOM 11 C CB . MET A 1 2 ? 22.068 82.823 50.120 1.00 31.76 ? 2 MET A CB 1
449
+ ATOM 12 C CG . MET A 1 2 ? 23.533 83.136 49.914 1.00 34.13 ? 2 MET A CG 1
450
+ ATOM 13 S SD . MET A 1 2 ? 24.437 82.422 51.266 1.00 37.91 ? 2 MET A SD 1
451
+ ATOM 14 C CE . MET A 1 2 ? 23.946 83.555 52.572 1.00 40.35 ? 2 MET A CE 1
452
+ ATOM 15 N N . ALA A 1 3 ? 19.670 81.990 48.022 1.00 27.44 ? 3 ALA A N 1
453
+ ATOM 16 C CA . ALA A 1 3 ? 18.507 81.137 47.828 1.00 27.21 ? 3 ALA A CA 1
454
+ ATOM 17 C C . ALA A 1 3 ? 18.945 79.762 47.336 1.00 26.28 ? 3 ALA A C 1
455
+ ATOM 18 O O . ALA A 1 3 ? 20.059 79.581 46.843 1.00 25.34 ? 3 ALA A O 1
456
+ ATOM 19 C CB . ALA A 1 3 ? 17.542 81.778 46.841 1.00 26.92 ? 3 ALA A CB 1
457
+ ATOM 20 N N . LEU A 1 4 ? 18.097 78.760 47.537 1.00 25.27 ? 4 LEU A N 1
458
+ ATOM 21 C CA . LEU A 1 4 ? 18.385 77.446 46.986 1.00 26.36 ? 4 LEU A CA 1
459
+ ATOM 22 C C . LEU A 1 4 ? 18.272 77.456 45.475 1.00 27.70 ? 4 LEU A C 1
460
+ ATOM 23 O O . LEU A 1 4 ? 17.290 77.970 44.888 1.00 28.54 ? 4 LEU A O 1
461
+ ATOM 24 C CB . LEU A 1 4 ? 17.467 76.340 47.551 1.00 26.61 ? 4 LEU A CB 1
462
+ ATOM 25 C CG . LEU A 1 4 ? 17.790 75.866 48.971 1.00 25.77 ? 4 LEU A CG 1
463
+ ATOM 26 C CD1 . LEU A 1 4 ? 16.579 75.130 49.618 1.00 22.06 ? 4 LEU A CD1 1
464
+ ATOM 27 C CD2 . LEU A 1 4 ? 19.070 74.988 49.007 1.00 25.19 ? 4 LEU A CD2 1
465
+ ATOM 28 N N . GLY A 1 5 ? 19.285 76.904 44.832 1.00 27.96 ? 5 GLY A N 1
466
+ ATOM 29 C CA . GLY A 1 5 ? 19.206 76.607 43.433 1.00 29.09 ? 5 GLY A CA 1
467
+ ATOM 30 C C . GLY A 1 5 ? 18.492 75.282 43.209 1.00 31.07 ? 5 GLY A C 1
468
+ ATOM 31 O O . GLY A 1 5 ? 18.079 74.607 44.182 1.00 31.76 ? 5 GLY A O 1
469
+ ATOM 32 N N . PRO A 1 6 ? 18.415 74.859 41.941 1.00 33.21 ? 6 PRO A N 1
470
+ ATOM 33 C CA . PRO A 1 6 ? 17.797 73.595 41.555 1.00 34.32 ? 6 PRO A CA 1
471
+ ATOM 34 C C . PRO A 1 6 ? 18.585 72.427 42.089 1.00 34.45 ? 6 PRO A C 1
472
+ ATOM 35 O O . PRO A 1 6 ? 19.813 72.502 42.115 1.00 34.86 ? 6 PRO A O 1
473
+ ATOM 36 C CB . PRO A 1 6 ? 17.896 73.603 40.024 1.00 34.13 ? 6 PRO A CB 1
474
+ ATOM 37 C CG . PRO A 1 6 ? 19.007 74.545 39.712 1.00 34.84 ? 6 PRO A CG 1
475
+ ATOM 38 C CD . PRO A 1 6 ? 18.972 75.580 40.782 1.00 33.44 ? 6 PRO A CD 1
476
+ ATOM 39 N N . PHE A 1 7 ? 17.864 71.408 42.569 1.00 35.56 ? 7 PHE A N 1
477
+ ATOM 40 C CA . PHE A 1 7 ? 18.416 70.086 42.866 1.00 35.77 ? 7 PHE A CA 1
478
+ ATOM 41 C C . PHE A 1 7 ? 18.136 69.246 41.601 1.00 36.36 ? 7 PHE A C 1
479
+ ATOM 42 O O . PHE A 1 7 ? 16.977 68.945 41.315 1.00 35.61 ? 7 PHE A O 1
480
+ ATOM 43 C CB . PHE A 1 7 ? 17.703 69.409 44.046 1.00 36.59 ? 7 PHE A CB 1
481
+ ATOM 44 C CG . PHE A 1 7 ? 17.916 70.057 45.416 1.00 35.74 ? 7 PHE A CG 1
482
+ ATOM 45 C CD1 . PHE A 1 7 ? 19.079 69.825 46.154 1.00 35.51 ? 7 PHE A CD1 1
483
+ ATOM 46 C CD2 . PHE A 1 7 ? 16.881 70.806 46.008 1.00 36.54 ? 7 PHE A CD2 1
484
+ ATOM 47 C CE1 . PHE A 1 7 ? 19.253 70.386 47.409 1.00 35.94 ? 7 PHE A CE1 1
485
+ ATOM 48 C CE2 . PHE A 1 7 ? 17.040 71.382 47.286 1.00 37.74 ? 7 PHE A CE2 1
486
+ ATOM 49 C CZ . PHE A 1 7 ? 18.232 71.169 47.988 1.00 37.62 ? 7 PHE A CZ 1
487
+ ATOM 50 N N . PRO A 1 8 ? 19.169 68.907 40.817 1.00 37.04 ? 8 PRO A N 1
488
+ ATOM 51 C CA . PRO A 1 8 ? 18.948 68.036 39.637 1.00 37.85 ? 8 PRO A CA 1
489
+ ATOM 52 C C . PRO A 1 8 ? 18.381 66.664 39.979 1.00 38.09 ? 8 PRO A C 1
490
+ ATOM 53 O O . PRO A 1 8 ? 18.683 66.152 41.051 1.00 37.51 ? 8 PRO A O 1
491
+ ATOM 54 C CB . PRO A 1 8 ? 20.364 67.817 39.095 1.00 37.42 ? 8 PRO A CB 1
492
+ ATOM 55 C CG . PRO A 1 8 ? 21.266 68.136 40.239 1.00 38.84 ? 8 PRO A CG 1
493
+ ATOM 56 C CD . PRO A 1 8 ? 20.579 69.299 40.914 1.00 38.45 ? 8 PRO A CD 1
494
+ ATOM 57 N N . ALA A 1 9 ? 17.606 66.079 39.059 1.00 39.21 ? 9 ALA A N 1
495
+ ATOM 58 C CA . ALA A 1 9 ? 17.095 64.702 39.205 1.00 39.89 ? 9 ALA A CA 1
496
+ ATOM 59 C C . ALA A 1 9 ? 18.249 63.805 39.611 1.00 40.68 ? 9 ALA A C 1
497
+ ATOM 60 O O . ALA A 1 9 ? 18.166 63.100 40.615 1.00 41.98 ? 9 ALA A O 1
498
+ ATOM 61 C CB . ALA A 1 9 ? 16.484 64.205 37.916 1.00 39.82 ? 9 ALA A CB 1
499
+ ATOM 62 N N . MET A 1 10 ? 19.321 63.856 38.819 1.00 41.06 ? 10 MET A N 1
500
+ ATOM 63 C CA . MET A 1 10 ? 20.645 63.370 39.212 1.00 41.01 ? 10 MET A CA 1
501
+ ATOM 64 C C . MET A 1 10 ? 21.711 64.153 38.451 1.00 41.53 ? 10 MET A C 1
502
+ ATOM 65 O O . MET A 1 10 ? 22.845 64.267 38.903 1.00 42.24 ? 10 MET A O 1
503
+ ATOM 66 C CB . MET A 1 10 ? 20.812 61.874 38.944 1.00 41.47 ? 10 MET A CB 1
504
+ ATOM 67 C CG . MET A 1 10 ? 20.515 61.428 37.520 1.00 41.75 ? 10 MET A CG 1
505
+ ATOM 68 S SD . MET A 1 10 ? 20.633 59.637 37.376 1.00 38.44 ? 10 MET A SD 1
506
+ ATOM 69 C CE . MET A 1 10 ? 22.394 59.425 37.135 1.00 42.34 ? 10 MET A CE 1
507
+ ATOM 70 N N . GLN A 1 11 ? 26.503 61.140 36.718 1.00 45.44 ? 11 GLN A N 1
508
+ ATOM 71 C CA . GLN A 1 11 ? 25.307 61.973 36.658 1.00 45.01 ? 11 GLN A CA 1
509
+ ATOM 72 C C . GLN A 1 11 ? 24.523 61.834 35.344 1.00 44.58 ? 11 GLN A C 1
510
+ ATOM 73 O O . GLN A 1 11 ? 23.428 62.415 35.223 1.00 46.53 ? 11 GLN A O 1
511
+ ATOM 74 C CB . GLN A 1 11 ? 25.675 63.448 36.884 1.00 44.94 ? 11 GLN A CB 1
512
+ ATOM 75 N N . VAL A 1 12 ? 25.059 61.100 34.366 1.00 42.74 ? 12 VAL A N 1
513
+ ATOM 76 C CA . VAL A 1 12 ? 24.342 60.869 33.097 1.00 40.79 ? 12 VAL A CA 1
514
+ ATOM 77 C C . VAL A 1 12 ? 23.496 59.607 33.275 1.00 37.85 ? 12 VAL A C 1
515
+ ATOM 78 O O . VAL A 1 12 ? 23.861 58.716 34.037 1.00 38.99 ? 12 VAL A O 1
516
+ ATOM 79 C CB . VAL A 1 12 ? 25.307 60.731 31.871 1.00 40.59 ? 12 VAL A CB 1
517
+ ATOM 80 C CG1 . VAL A 1 12 ? 26.197 59.490 31.993 1.00 41.57 ? 12 VAL A CG1 1
518
+ ATOM 81 C CG2 . VAL A 1 12 ? 24.510 60.677 30.574 1.00 42.39 ? 12 VAL A CG2 1
519
+ ATOM 82 N N . LEU A 1 13 ? 22.359 59.539 32.589 1.00 34.51 ? 13 LEU A N 1
520
+ ATOM 83 C CA . LEU A 1 13 ? 21.489 58.361 32.697 1.00 30.90 ? 13 LEU A CA 1
521
+ ATOM 84 C C . LEU A 1 13 ? 21.952 57.305 31.704 1.00 28.52 ? 13 LEU A C 1
522
+ ATOM 85 O O . LEU A 1 13 ? 22.035 57.576 30.522 1.00 27.96 ? 13 LEU A O 1
523
+ ATOM 86 C CB . LEU A 1 13 ? 20.020 58.729 32.413 1.00 31.13 ? 13 LEU A CB 1
524
+ ATOM 87 C CG . LEU A 1 13 ? 18.990 57.584 32.408 1.00 29.32 ? 13 LEU A CG 1
525
+ ATOM 88 C CD1 . LEU A 1 13 ? 18.956 56.923 33.746 1.00 27.96 ? 13 LEU A CD1 1
526
+ ATOM 89 C CD2 . LEU A 1 13 ? 17.612 58.091 32.049 1.00 30.86 ? 13 LEU A CD2 1
527
+ ATOM 90 N N . VAL A 1 14 ? 22.216 56.113 32.222 1.00 26.12 ? 14 VAL A N 1
528
+ ATOM 91 C CA . VAL A 1 14 ? 22.471 54.934 31.430 1.00 23.84 ? 14 VAL A CA 1
529
+ ATOM 92 C C . VAL A 1 14 ? 21.306 53.948 31.641 1.00 23.35 ? 14 VAL A C 1
530
+ ATOM 93 O O . VAL A 1 14 ? 21.057 53.503 32.764 1.00 23.02 ? 14 VAL A O 1
531
+ ATOM 94 C CB . VAL A 1 14 ? 23.818 54.244 31.794 1.00 23.46 ? 14 VAL A CB 1
532
+ ATOM 95 C CG1 . VAL A 1 14 ? 23.989 53.027 30.949 1.00 21.33 ? 14 VAL A CG1 1
533
+ ATOM 96 C CG2 . VAL A 1 14 ? 25.006 55.223 31.574 1.00 22.97 ? 14 VAL A CG2 1
534
+ ATOM 97 N N . ILE A 1 15 ? 20.649 53.579 30.556 1.00 22.82 ? 15 ILE A N 1
535
+ ATOM 98 C CA . ILE A 1 15 ? 19.651 52.513 30.549 1.00 22.57 ? 15 ILE A CA 1
536
+ ATOM 99 C C . ILE A 1 15 ? 20.303 51.256 29.967 1.00 21.63 ? 15 ILE A C 1
537
+ ATOM 100 O O . ILE A 1 15 ? 20.827 51.299 28.830 1.00 20.42 ? 15 ILE A O 1
538
+ ATOM 101 C CB . ILE A 1 15 ? 18.411 52.921 29.703 1.00 22.48 ? 15 ILE A CB 1
539
+ ATOM 102 C CG1 . ILE A 1 15 ? 17.677 54.098 30.388 1.00 24.62 ? 15 ILE A CG1 1
540
+ ATOM 103 C CG2 . ILE A 1 15 ? 17.488 51.728 29.467 1.00 21.62 ? 15 ILE A CG2 1
541
+ ATOM 104 C CD1 . ILE A 1 15 ? 16.364 54.489 29.677 1.00 26.30 ? 15 ILE A CD1 1
542
+ ATOM 105 N N . ARG A 1 16 ? 20.385 50.203 30.790 1.00 20.17 ? 16 ARG A N 1
543
+ ATOM 106 C CA . ARG A 1 16 ? 20.922 48.925 30.352 1.00 19.84 ? 16 ARG A CA 1
544
+ ATOM 107 C C . ARG A 1 16 ? 19.773 48.076 29.836 1.00 19.72 ? 16 ARG A C 1
545
+ ATOM 108 O O . ARG A 1 16 ? 18.921 47.656 30.619 1.00 18.54 ? 16 ARG A O 1
546
+ ATOM 109 C CB . ARG A 1 16 ? 21.680 48.215 31.463 1.00 21.65 ? 16 ARG A CB 1
547
+ ATOM 110 C CG . ARG A 1 16 ? 22.092 46.823 31.107 1.00 20.84 ? 16 ARG A CG 1
548
+ ATOM 111 C CD . ARG A 1 16 ? 23.148 46.307 32.082 1.00 25.79 ? 16 ARG A CD 1
549
+ ATOM 112 N NE . ARG A 1 16 ? 24.378 47.062 31.937 1.00 24.88 ? 16 ARG A NE 1
550
+ ATOM 113 C CZ . ARG A 1 16 ? 25.373 47.127 32.828 1.00 28.42 ? 16 ARG A CZ 1
551
+ ATOM 114 N NH1 . ARG A 1 16 ? 25.313 46.490 33.991 1.00 30.96 ? 16 ARG A NH1 1
552
+ ATOM 115 N NH2 . ARG A 1 16 ? 26.446 47.847 32.549 1.00 29.09 ? 16 ARG A NH2 1
553
+ ATOM 116 N N . ILE A 1 17 ? 19.721 47.848 28.521 1.00 20.60 ? 17 ILE A N 1
554
+ ATOM 117 C CA . ILE A 1 17 ? 18.640 47.054 27.920 1.00 20.28 ? 17 ILE A CA 1
555
+ ATOM 118 C C . ILE A 1 17 ? 19.145 45.604 27.869 1.00 21.57 ? 17 ILE A C 1
556
+ ATOM 119 O O . ILE A 1 17 ? 20.048 45.268 27.086 1.00 20.94 ? 17 ILE A O 1
557
+ ATOM 120 C CB . ILE A 1 17 ? 18.302 47.512 26.500 1.00 21.12 ? 17 ILE A CB 1
558
+ ATOM 121 C CG1 . ILE A 1 17 ? 17.934 48.999 26.440 1.00 22.17 ? 17 ILE A CG1 1
559
+ ATOM 122 C CG2 . ILE A 1 17 ? 17.215 46.609 25.877 1.00 21.67 ? 17 ILE A CG2 1
560
+ ATOM 123 C CD1 . ILE A 1 17 ? 17.882 49.549 25.036 1.00 23.24 ? 17 ILE A CD1 1
561
+ ATOM 124 N N . LYS A 1 18 ? 18.632 44.770 28.758 1.00 20.44 ? 18 LYS A N 1
562
+ ATOM 125 C CA . LYS A 1 18 ? 19.058 43.377 28.827 1.00 22.29 ? 18 LYS A CA 1
563
+ ATOM 126 C C . LYS A 1 18 ? 18.299 42.522 27.793 1.00 21.93 ? 18 LYS A C 1
564
+ ATOM 127 O O . LYS A 1 18 ? 17.048 42.466 27.785 1.00 21.65 ? 18 LYS A O 1
565
+ ATOM 128 C CB . LYS A 1 18 ? 18.821 42.866 30.249 1.00 23.37 ? 18 LYS A CB 1
566
+ ATOM 129 C CG . LYS A 1 18 ? 19.127 41.408 30.423 1.00 25.75 ? 18 LYS A CG 1
567
+ ATOM 130 C CD . LYS A 1 18 ? 20.593 41.149 30.528 1.00 29.74 ? 18 LYS A CD 1
568
+ ATOM 131 C CE . LYS A 1 18 ? 20.897 39.634 30.488 1.00 34.91 ? 18 LYS A CE 1
569
+ ATOM 132 N NZ . LYS A 1 18 ? 21.105 39.161 29.065 1.00 38.17 ? 18 LYS A NZ 1
570
+ ATOM 133 N N . ILE A 1 19 ? 19.054 41.859 26.918 1.00 23.92 ? 19 ILE A N 1
571
+ ATOM 134 C CA . ILE A 1 19 ? 18.483 41.109 25.806 1.00 25.76 ? 19 ILE A CA 1
572
+ ATOM 135 C C . ILE A 1 19 ? 18.573 39.602 26.063 1.00 27.70 ? 19 ILE A C 1
573
+ ATOM 136 O O . ILE A 1 19 ? 19.679 39.104 26.291 1.00 24.15 ? 19 ILE A O 1
574
+ ATOM 137 C CB . ILE A 1 19 ? 19.263 41.324 24.493 1.00 27.18 ? 19 ILE A CB 1
575
+ ATOM 138 C CG1 . ILE A 1 19 ? 19.627 42.803 24.244 1.00 28.88 ? 19 ILE A CG1 1
576
+ ATOM 139 C CG2 . ILE A 1 19 ? 18.474 40.709 23.335 1.00 28.15 ? 19 ILE A CG2 1
577
+ ATOM 140 C CD1 . ILE A 1 19 ? 18.555 43.597 23.648 1.00 30.05 ? 19 ILE A CD1 1
578
+ ATOM 141 N N . PRO A 1 20 ? 17.435 38.863 25.940 1.00 29.92 ? 20 PRO A N 1
579
+ ATOM 142 C CA . PRO A 1 20 ? 17.423 37.427 26.281 1.00 31.63 ? 20 PRO A CA 1
580
+ ATOM 143 C C . PRO A 1 20 ? 18.496 36.631 25.581 1.00 30.59 ? 20 PRO A C 1
581
+ ATOM 144 O O . PRO A 1 20 ? 18.567 36.647 24.327 1.00 33.12 ? 20 PRO A O 1
582
+ ATOM 145 C CB . PRO A 1 20 ? 16.016 36.952 25.839 1.00 32.33 ? 20 PRO A CB 1
583
+ ATOM 146 C CG . PRO A 1 20 ? 15.469 38.036 25.003 1.00 31.99 ? 20 PRO A CG 1
584
+ ATOM 147 C CD . PRO A 1 20 ? 16.108 39.306 25.467 1.00 31.95 ? 20 PRO A CD 1
585
+ ATOM 148 N N . ASN A 1 21 ? 19.343 35.979 26.371 1.00 30.55 ? 21 ASN A N 1
586
+ ATOM 149 C CA . ASN A 1 21 ? 20.380 35.078 25.848 1.00 30.68 ? 21 ASN A CA 1
587
+ ATOM 150 C C . ASN A 1 21 ? 21.307 35.693 24.795 1.00 30.22 ? 21 ASN A C 1
588
+ ATOM 151 O O . ASN A 1 21 ? 21.855 34.977 23.949 1.00 29.69 ? 21 ASN A O 1
589
+ ATOM 152 C CB . ASN A 1 21 ? 19.734 33.799 25.278 1.00 31.27 ? 21 ASN A CB 1
590
+ ATOM 153 C CG . ASN A 1 21 ? 19.022 32.994 26.344 1.00 32.94 ? 21 ASN A CG 1
591
+ ATOM 154 O OD1 . ASN A 1 21 ? 17.825 32.736 26.249 1.00 37.37 ? 21 ASN A OD1 1
592
+ ATOM 155 N ND2 . ASN A 1 21 ? 19.752 32.619 27.373 1.00 35.78 ? 21 ASN A ND2 1
593
+ ATOM 156 N N . SER A 1 22 ? 21.514 37.008 24.880 1.00 29.58 ? 22 SER A N 1
594
+ ATOM 157 C CA . SER A 1 22 ? 22.196 37.737 23.829 1.00 29.44 ? 22 SER A CA 1
595
+ ATOM 158 C C . SER A 1 22 ? 23.171 38.822 24.276 1.00 29.66 ? 22 SER A C 1
596
+ ATOM 159 O O . SER A 1 22 ? 24.072 39.184 23.507 1.00 30.06 ? 22 SER A O 1
597
+ ATOM 160 C CB . SER A 1 22 ? 21.163 38.361 22.918 1.00 29.60 ? 22 SER A CB 1
598
+ ATOM 161 O OG . SER A 1 22 ? 20.340 37.370 22.364 1.00 28.04 ? 22 SER A OG 1
599
+ ATOM 162 N N . GLY A 1 23 ? 22.955 39.361 25.475 1.00 28.30 ? 23 GLY A N 1
600
+ ATOM 163 C CA . GLY A 1 23 ? 23.863 40.288 26.128 1.00 27.68 ? 23 GLY A CA 1
601
+ ATOM 164 C C . GLY A 1 23 ? 23.024 41.464 26.641 1.00 26.37 ? 23 GLY A C 1
602
+ ATOM 165 O O . GLY A 1 23 ? 21.835 41.304 26.939 1.00 25.10 ? 23 GLY A O 1
603
+ ATOM 166 N N . ALA A 1 24 ? 23.652 42.620 26.713 1.00 25.21 ? 24 ALA A N 1
604
+ ATOM 167 C CA . ALA A 1 24 ? 22.994 43.866 27.118 1.00 23.92 ? 24 ALA A CA 1
605
+ ATOM 168 C C . ALA A 1 24 ? 23.603 45.035 26.318 1.00 23.44 ? 24 ALA A C 1
606
+ ATOM 169 O O . ALA A 1 24 ? 24.797 44.985 25.908 1.00 21.35 ? 24 ALA A O 1
607
+ ATOM 170 C CB . ALA A 1 24 ? 23.187 44.104 28.603 1.00 25.01 ? 24 ALA A CB 1
608
+ ATOM 171 N N . VAL A 1 25 ? 22.773 46.043 26.090 1.00 22.02 ? 25 VAL A N 1
609
+ ATOM 172 C CA . VAL A 1 25 ? 23.188 47.291 25.418 1.00 22.36 ? 25 VAL A CA 1
610
+ ATOM 173 C C . VAL A 1 25 ? 22.995 48.418 26.440 1.00 22.34 ? 25 VAL A C 1
611
+ ATOM 174 O O . VAL A 1 25 ? 21.866 48.626 26.943 1.00 21.81 ? 25 VAL A O 1
612
+ ATOM 175 C CB . VAL A 1 25 ? 22.358 47.581 24.184 1.00 23.09 ? 25 VAL A CB 1
613
+ ATOM 176 C CG1 . VAL A 1 25 ? 22.706 48.953 23.617 1.00 23.06 ? 25 VAL A CG1 1
614
+ ATOM 177 C CG2 . VAL A 1 25 ? 22.555 46.426 23.110 1.00 24.31 ? 25 VAL A CG2 1
615
+ ATOM 178 N N . ASP A 1 26 ? 24.072 49.149 26.678 1.00 21.54 ? 26 ASP A N 1
616
+ ATOM 179 C CA . ASP A 1 26 ? 24.067 50.295 27.584 1.00 21.20 ? 26 ASP A CA 1
617
+ ATOM 180 C C . ASP A 1 26 ? 23.859 51.555 26.759 1.00 21.33 ? 26 ASP A C 1
618
+ ATOM 181 O O . ASP A 1 26 ? 24.708 51.937 25.956 1.00 21.15 ? 26 ASP A O 1
619
+ ATOM 182 C CB . ASP A 1 26 ? 25.362 50.387 28.358 1.00 21.95 ? 26 ASP A CB 1
620
+ ATOM 183 C CG . ASP A 1 26 ? 25.454 49.358 29.476 1.00 21.50 ? 26 ASP A CG 1
621
+ ATOM 184 O OD1 . ASP A 1 26 ? 24.468 48.627 29.763 1.00 21.67 ? 26 ASP A OD1 1
622
+ ATOM 185 O OD2 . ASP A 1 26 ? 26.560 49.284 30.042 1.00 23.34 ? 26 ASP A OD2 1
623
+ ATOM 186 N N . TRP A 1 27 ? 22.680 52.157 26.927 1.00 22.18 ? 27 TRP A N 1
624
+ ATOM 187 C CA . TRP A 1 27 ? 22.301 53.344 26.211 1.00 21.54 ? 27 TRP A CA 1
625
+ ATOM 188 C C . TRP A 1 27 ? 22.468 54.554 27.139 1.00 22.62 ? 27 TRP A C 1
626
+ ATOM 189 O O . TRP A 1 27 ? 21.774 54.670 28.165 1.00 20.57 ? 27 TRP A O 1
627
+ ATOM 190 C CB . TRP A 1 27 ? 20.849 53.191 25.748 1.00 24.00 ? 27 TRP A CB 1
628
+ ATOM 191 C CG . TRP A 1 27 ? 20.204 54.436 25.214 1.00 23.69 ? 27 TRP A CG 1
629
+ ATOM 192 C CD1 . TRP A 1 27 ? 20.809 55.455 24.572 1.00 27.22 ? 27 TRP A CD1 1
630
+ ATOM 193 C CD2 . TRP A 1 27 ? 18.799 54.736 25.226 1.00 23.37 ? 27 TRP A CD2 1
631
+ ATOM 194 N NE1 . TRP A 1 27 ? 19.875 56.417 24.222 1.00 27.58 ? 27 TRP A NE1 1
632
+ ATOM 195 C CE2 . TRP A 1 27 ? 18.631 55.977 24.587 1.00 26.03 ? 27 TRP A CE2 1
633
+ ATOM 196 C CE3 . TRP A 1 27 ? 17.676 54.068 25.713 1.00 27.25 ? 27 TRP A CE3 1
634
+ ATOM 197 C CZ2 . TRP A 1 27 ? 17.361 56.594 24.442 1.00 28.30 ? 27 TRP A CZ2 1
635
+ ATOM 198 C CZ3 . TRP A 1 27 ? 16.416 54.663 25.550 1.00 27.95 ? 27 TRP A CZ3 1
636
+ ATOM 199 C CH2 . TRP A 1 27 ? 16.276 55.910 24.923 1.00 25.58 ? 27 TRP A CH2 1
637
+ ATOM 200 N N . THR A 1 28 ? 23.408 55.409 26.797 1.00 23.11 ? 28 THR A N 1
638
+ ATOM 201 C CA . THR A 1 28 ? 23.633 56.644 27.548 1.00 24.56 ? 28 THR A CA 1
639
+ ATOM 202 C C . THR A 1 28 ? 22.707 57.717 27.010 1.00 27.79 ? 28 THR A C 1
640
+ ATOM 203 O O . THR A 1 28 ? 22.808 58.100 25.837 1.00 28.03 ? 28 THR A O 1
641
+ ATOM 204 C CB . THR A 1 28 ? 25.078 57.132 27.464 1.00 24.54 ? 28 THR A CB 1
642
+ ATOM 205 O OG1 . THR A 1 28 ? 25.951 56.125 27.987 1.00 25.05 ? 28 THR A OG1 1
643
+ ATOM 206 C CG2 . THR A 1 28 ? 25.198 58.500 28.233 1.00 25.24 ? 28 THR A CG2 1
644
+ ATOM 207 N N . VAL A 1 29 ? 21.794 58.180 27.862 1.00 29.71 ? 29 VAL A N 1
645
+ ATOM 208 C CA . VAL A 1 29 ? 20.708 59.049 27.446 1.00 32.99 ? 29 VAL A CA 1
646
+ ATOM 209 C C . VAL A 1 29 ? 21.116 60.500 27.644 1.00 36.37 ? 29 VAL A C 1
647
+ ATOM 210 O O . VAL A 1 29 ? 21.507 60.903 28.746 1.00 36.78 ? 29 VAL A O 1
648
+ ATOM 211 C CB . VAL A 1 29 ? 19.410 58.769 28.233 1.00 33.10 ? 29 VAL A CB 1
649
+ ATOM 212 C CG1 . VAL A 1 29 ? 18.303 59.687 27.741 1.00 33.06 ? 29 VAL A CG1 1
650
+ ATOM 213 C CG2 . VAL A 1 29 ? 19.004 57.285 28.112 1.00 31.66 ? 29 VAL A CG2 1
651
+ ATOM 214 N N . HIS A 1 30 ? 21.048 61.248 26.543 1.00 40.24 ? 30 HIS A N 1
652
+ ATOM 215 C CA . HIS A 1 30 ? 21.242 62.708 26.524 1.00 42.74 ? 30 HIS A CA 1
653
+ ATOM 216 C C . HIS A 1 30 ? 20.041 63.424 27.110 1.00 44.70 ? 30 HIS A C 1
654
+ ATOM 217 O O . HIS A 1 30 ? 18.904 63.171 26.681 1.00 45.79 ? 30 HIS A O 1
655
+ ATOM 218 C CB . HIS A 1 30 ? 21.419 63.183 25.082 1.00 42.84 ? 30 HIS A CB 1
656
+ ATOM 219 N N . SER A 1 31 ? 20.279 64.285 28.102 1.00 46.28 ? 31 SER A N 1
657
+ ATOM 220 C CA . SER A 1 31 ? 19.255 65.234 28.558 1.00 47.26 ? 31 SER A CA 1
658
+ ATOM 221 C C . SER A 1 31 ? 19.310 66.485 27.678 1.00 47.78 ? 31 SER A C 1
659
+ ATOM 222 O O . SER A 1 31 ? 19.897 66.474 26.582 1.00 48.80 ? 31 SER A O 1
660
+ ATOM 223 C CB . SER A 1 31 ? 19.436 65.601 30.044 1.00 47.37 ? 31 SER A CB 1
661
+ ATOM 224 N N . GLN A 1 32 ? 12.745 65.584 27.858 1.00 40.64 ? 32 GLN A N 1
662
+ ATOM 225 C CA . GLN A 1 32 ? 12.109 64.505 28.590 1.00 40.15 ? 32 GLN A CA 1
663
+ ATOM 226 C C . GLN A 1 32 ? 12.291 63.217 27.791 1.00 38.84 ? 32 GLN A C 1
664
+ ATOM 227 O O . GLN A 1 32 ? 12.092 63.215 26.566 1.00 39.40 ? 32 GLN A O 1
665
+ ATOM 228 C CB . GLN A 1 32 ? 10.613 64.789 28.795 1.00 40.34 ? 32 GLN A CB 1
666
+ ATOM 229 N N . LEU A 1 33 ? 12.712 62.160 28.481 1.00 37.13 ? 33 LEU A N 1
667
+ ATOM 230 C CA . LEU A 1 33 ? 12.716 60.802 27.923 1.00 34.91 ? 33 LEU A CA 1
668
+ ATOM 231 C C . LEU A 1 33 ? 11.311 60.231 27.840 1.00 32.83 ? 33 LEU A C 1
669
+ ATOM 232 O O . LEU A 1 33 ? 10.652 59.991 28.863 1.00 35.16 ? 33 LEU A O 1
670
+ ATOM 233 C CB . LEU A 1 33 ? 13.564 59.856 28.768 1.00 34.97 ? 33 LEU A CB 1
671
+ ATOM 234 C CG . LEU A 1 33 ? 13.783 58.489 28.114 1.00 33.70 ? 33 LEU A CG 1
672
+ ATOM 235 C CD1 . LEU A 1 33 ? 14.457 58.678 26.774 1.00 31.90 ? 33 LEU A CD1 1
673
+ ATOM 236 C CD2 . LEU A 1 33 ? 14.604 57.553 29.006 1.00 35.37 ? 33 LEU A CD2 1
674
+ ATOM 237 N N . LEU A 1 34 ? 10.888 59.911 26.628 1.00 29.22 ? 34 LEU A N 1
675
+ ATOM 238 C CA . LEU A 1 34 ? 9.563 59.391 26.380 1.00 26.66 ? 34 LEU A CA 1
676
+ ATOM 239 C C . LEU A 1 34 ? 9.524 57.874 26.249 1.00 24.80 ? 34 LEU A C 1
677
+ ATOM 240 O O . LEU A 1 34 ? 10.443 57.268 25.719 1.00 23.85 ? 34 LEU A O 1
678
+ ATOM 241 C CB . LEU A 1 34 ? 9.030 60.001 25.089 1.00 26.31 ? 34 LEU A CB 1
679
+ ATOM 242 C CG . LEU A 1 34 ? 8.738 61.500 25.075 1.00 26.98 ? 34 LEU A CG 1
680
+ ATOM 243 C CD1 . LEU A 1 34 ? 8.493 61.921 23.647 1.00 29.91 ? 34 LEU A CD1 1
681
+ ATOM 244 C CD2 . LEU A 1 34 ? 7.574 61.877 25.988 1.00 27.89 ? 34 LEU A CD2 1
682
+ ATOM 245 N N . PHE A 1 35 ? 8.425 57.292 26.677 1.00 22.83 ? 35 PHE A N 1
683
+ ATOM 246 C CA . PHE A 1 35 ? 8.155 55.862 26.504 1.00 22.34 ? 35 PHE A CA 1
684
+ ATOM 247 C C . PHE A 1 35 ? 8.346 55.403 25.057 1.00 22.06 ? 35 PHE A C 1
685
+ ATOM 248 O O . PHE A 1 35 ? 9.040 54.389 24.782 1.00 21.05 ? 35 PHE A O 1
686
+ ATOM 249 C CB . PHE A 1 35 ? 6.739 55.555 26.984 1.00 22.07 ? 35 PHE A CB 1
687
+ ATOM 250 C CG . PHE A 1 35 ? 6.348 54.127 26.814 1.00 22.53 ? 35 PHE A CG 1
688
+ ATOM 251 C CD1 . PHE A 1 35 ? 6.998 53.120 27.534 1.00 22.24 ? 35 PHE A CD1 1
689
+ ATOM 252 C CD2 . PHE A 1 35 ? 5.316 53.771 25.975 1.00 22.01 ? 35 PHE A CD2 1
690
+ ATOM 253 C CE1 . PHE A 1 35 ? 6.636 51.819 27.392 1.00 24.61 ? 35 PHE A CE1 1
691
+ ATOM 254 C CE2 . PHE A 1 35 ? 4.931 52.446 25.846 1.00 22.92 ? 35 PHE A CE2 1
692
+ ATOM 255 C CZ . PHE A 1 35 ? 5.593 51.472 26.533 1.00 22.57 ? 35 PHE A CZ 1
693
+ ATOM 256 N N . ARG A 1 36 ? 7.791 56.177 24.122 1.00 21.41 ? 36 ARG A N 1
694
+ ATOM 257 C CA . ARG A 1 36 ? 7.940 55.916 22.697 1.00 22.11 ? 36 ARG A CA 1
695
+ ATOM 258 C C . ARG A 1 36 ? 9.415 55.763 22.315 1.00 21.87 ? 36 ARG A C 1
696
+ ATOM 259 O O . ARG A 1 36 ? 9.767 54.900 21.526 1.00 20.75 ? 36 ARG A O 1
697
+ ATOM 260 C CB . ARG A 1 36 ? 7.282 57.059 21.895 1.00 23.07 ? 36 ARG A CB 1
698
+ ATOM 261 C CG . ARG A 1 36 ? 7.528 57.045 20.410 1.00 23.52 ? 36 ARG A CG 1
699
+ ATOM 262 C CD . ARG A 1 36 ? 7.242 58.427 19.832 1.00 25.23 ? 36 ARG A CD 1
700
+ ATOM 263 N NE . ARG A 1 36 ? 8.330 59.336 20.149 1.00 23.14 ? 36 ARG A NE 1
701
+ ATOM 264 C CZ . ARG A 1 36 ? 8.337 60.639 19.883 1.00 23.48 ? 36 ARG A CZ 1
702
+ ATOM 265 N NH1 . ARG A 1 36 ? 7.283 61.204 19.334 1.00 23.68 ? 36 ARG A NH1 1
703
+ ATOM 266 N NH2 . ARG A 1 36 ? 9.396 61.375 20.208 1.00 24.28 ? 36 ARG A NH2 1
704
+ ATOM 267 N N . ASP A 1 37 ? 10.266 56.622 22.867 1.00 22.22 ? 37 ASP A N 1
705
+ ATOM 268 C CA . ASP A 1 37 ? 11.669 56.684 22.467 1.00 23.00 ? 37 ASP A CA 1
706
+ ATOM 269 C C . ASP A 1 37 ? 12.408 55.425 22.983 1.00 21.26 ? 37 ASP A C 1
707
+ ATOM 270 O O . ASP A 1 37 ? 13.298 54.871 22.318 1.00 22.33 ? 37 ASP A O 1
708
+ ATOM 271 C CB . ASP A 1 37 ? 12.333 57.930 23.018 1.00 23.49 ? 37 ASP A CB 1
709
+ ATOM 272 C CG . ASP A 1 37 ? 11.900 59.210 22.306 1.00 26.82 ? 37 ASP A CG 1
710
+ ATOM 273 O OD1 . ASP A 1 37 ? 11.212 59.159 21.282 1.00 25.41 ? 37 ASP A OD1 1
711
+ ATOM 274 O OD2 . ASP A 1 37 ? 12.298 60.268 22.802 1.00 32.75 ? 37 ASP A OD2 1
712
+ ATOM 275 N N . VAL A 1 38 ? 12.034 54.989 24.176 1.00 20.94 ? 38 VAL A N 1
713
+ ATOM 276 C CA . VAL A 1 38 ? 12.598 53.740 24.733 1.00 19.90 ? 38 VAL A CA 1
714
+ ATOM 277 C C . VAL A 1 38 ? 12.216 52.542 23.858 1.00 19.80 ? 38 VAL A C 1
715
+ ATOM 278 O O . VAL A 1 38 ? 13.075 51.761 23.421 1.00 18.99 ? 38 VAL A O 1
716
+ ATOM 279 C CB . VAL A 1 38 ? 12.199 53.520 26.174 1.00 19.82 ? 38 VAL A CB 1
717
+ ATOM 280 C CG1 . VAL A 1 38 ? 12.825 52.197 26.706 1.00 20.94 ? 38 VAL A CG1 1
718
+ ATOM 281 C CG2 . VAL A 1 38 ? 12.541 54.736 27.023 1.00 23.39 ? 38 VAL A CG2 1
719
+ ATOM 282 N N . LEU A 1 39 ? 10.957 52.468 23.459 1.00 20.27 ? 39 LEU A N 1
720
+ ATOM 283 C CA . LEU A 1 39 ? 10.521 51.395 22.545 1.00 20.95 ? 39 LEU A CA 1
721
+ ATOM 284 C C . LEU A 1 39 ? 11.268 51.454 21.211 1.00 22.24 ? 39 LEU A C 1
722
+ ATOM 285 O O . LEU A 1 39 ? 11.617 50.421 20.625 1.00 20.84 ? 39 LEU A O 1
723
+ ATOM 286 C CB . LEU A 1 39 ? 8.993 51.421 22.319 1.00 22.09 ? 39 LEU A CB 1
724
+ ATOM 287 C CG . LEU A 1 39 ? 8.085 51.076 23.503 1.00 22.27 ? 39 LEU A CG 1
725
+ ATOM 288 C CD1 . LEU A 1 39 ? 6.651 50.943 23.090 1.00 24.97 ? 39 LEU A CD1 1
726
+ ATOM 289 C CD2 . LEU A 1 39 ? 8.584 49.807 24.187 1.00 25.61 ? 39 LEU A CD2 1
727
+ ATOM 290 N N . ASP A 1 40 ? 11.562 52.652 20.748 1.00 22.87 ? 40 ASP A N 1
728
+ ATOM 291 C CA . ASP A 1 40 ? 12.258 52.813 19.468 0.50 23.59 ? 40 ASP A CA 1
729
+ ATOM 292 C C . ASP A 1 40 ? 13.685 52.250 19.571 1.00 24.01 ? 40 ASP A C 1
730
+ ATOM 293 O O . ASP A 1 40 ? 14.141 51.520 18.680 1.00 24.06 ? 40 ASP A O 1
731
+ ATOM 294 C CB . ASP A 1 40 ? 12.280 54.288 19.052 0.50 24.29 ? 40 ASP A CB 1
732
+ ATOM 295 C CG . ASP A 1 40 ? 10.927 54.790 18.571 0.50 24.79 ? 40 ASP A CG 1
733
+ ATOM 296 O OD1 . ASP A 1 40 ? 10.047 53.980 18.182 0.50 26.82 ? 40 ASP A OD1 1
734
+ ATOM 297 O OD2 . ASP A 1 40 ? 10.744 56.024 18.558 0.50 26.94 ? 40 ASP A OD2 1
735
+ ATOM 298 N N . VAL A 1 41 ? 14.376 52.572 20.652 1.00 23.14 ? 41 VAL A N 1
736
+ ATOM 299 C CA . VAL A 1 41 ? 15.730 52.052 20.869 1.00 22.99 ? 41 VAL A CA 1
737
+ ATOM 300 C C . VAL A 1 41 ? 15.703 50.524 21.016 1.00 22.05 ? 41 VAL A C 1
738
+ ATOM 301 O O . VAL A 1 41 ? 16.527 49.821 20.391 1.00 21.61 ? 41 VAL A O 1
739
+ ATOM 302 C CB . VAL A 1 41 ? 16.427 52.763 22.021 1.00 23.20 ? 41 VAL A CB 1
740
+ ATOM 303 C CG1 . VAL A 1 41 ? 17.785 52.051 22.387 1.00 24.30 ? 41 VAL A CG1 1
741
+ ATOM 304 C CG2 . VAL A 1 41 ? 16.628 54.251 21.674 1.00 23.67 ? 41 VAL A CG2 1
742
+ ATOM 305 N N . ILE A 1 42 ? 14.757 49.985 21.799 1.00 21.82 ? 42 ILE A N 1
743
+ ATOM 306 C CA . ILE A 1 42 ? 14.588 48.531 21.926 1.00 22.16 ? 42 ILE A CA 1
744
+ ATOM 307 C C . ILE A 1 42 ? 14.386 47.918 20.523 1.00 22.23 ? 42 ILE A C 1
745
+ ATOM 308 O O . ILE A 1 42 ? 14.993 46.916 20.186 1.00 21.97 ? 42 ILE A O 1
746
+ ATOM 309 C CB . ILE A 1 42 ? 13.439 48.121 22.879 1.00 21.91 ? 42 ILE A CB 1
747
+ ATOM 310 C CG1 . ILE A 1 42 ? 13.767 48.553 24.325 1.00 22.27 ? 42 ILE A CG1 1
748
+ ATOM 311 C CG2 . ILE A 1 42 ? 13.258 46.601 22.864 1.00 22.03 ? 42 ILE A CG2 1
749
+ ATOM 312 C CD1 . ILE A 1 42 ? 12.602 48.412 25.266 1.00 19.16 ? 42 ILE A CD1 1
750
+ ATOM 313 N N . GLY A 1 43 ? 13.587 48.565 19.680 1.00 23.04 ? 43 GLY A N 1
751
+ ATOM 314 C CA . GLY A 1 43 ? 13.345 48.009 18.348 1.00 23.35 ? 43 GLY A CA 1
752
+ ATOM 315 C C . GLY A 1 43 ? 14.567 48.010 17.453 1.00 23.60 ? 43 GLY A C 1
753
+ ATOM 316 O O . GLY A 1 43 ? 14.647 47.213 16.524 1.00 24.39 ? 43 GLY A O 1
754
+ ATOM 317 N N . GLN A 1 44 ? 15.497 48.932 17.684 1.00 23.87 ? 44 GLN A N 1
755
+ ATOM 318 C CA . GLN A 1 44 ? 16.783 48.912 16.995 1.00 25.31 ? 44 GLN A CA 1
756
+ ATOM 319 C C . GLN A 1 44 ? 17.705 47.762 17.467 1.00 25.37 ? 44 GLN A C 1
757
+ ATOM 320 O O . GLN A 1 44 ? 18.334 47.071 16.630 1.00 25.31 ? 44 GLN A O 1
758
+ ATOM 321 C CB . GLN A 1 44 ? 17.498 50.245 17.158 1.00 26.42 ? 44 GLN A CB 1
759
+ ATOM 322 C CG . GLN A 1 44 ? 16.775 51.428 16.577 1.00 28.69 ? 44 GLN A CG 1
760
+ ATOM 323 C CD . GLN A 1 44 ? 17.420 52.716 16.979 1.00 33.32 ? 44 GLN A CD 1
761
+ ATOM 324 O OE1 . GLN A 1 44 ? 18.642 52.781 17.121 1.00 37.55 ? 44 GLN A OE1 1
762
+ ATOM 325 N NE2 . GLN A 1 44 ? 16.610 53.744 17.203 1.00 36.85 ? 44 GLN A NE2 1
763
+ ATOM 326 N N . VAL A 1 45 ? 17.805 47.555 18.785 1.00 24.38 ? 45 VAL A N 1
764
+ ATOM 327 C CA . VAL A 1 45 ? 18.772 46.605 19.338 1.00 24.18 ? 45 VAL A CA 1
765
+ ATOM 328 C C . VAL A 1 45 ? 18.237 45.180 19.367 1.00 24.67 ? 45 VAL A C 1
766
+ ATOM 329 O O . VAL A 1 45 ? 19.013 44.220 19.460 1.00 24.51 ? 45 VAL A O 1
767
+ ATOM 330 C CB . VAL A 1 45 ? 19.292 47.023 20.712 1.00 25.16 ? 45 VAL A CB 1
768
+ ATOM 331 C CG1 . VAL A 1 45 ? 19.945 48.402 20.605 1.00 25.35 ? 45 VAL A CG1 1
769
+ ATOM 332 C CG2 . VAL A 1 45 ? 18.212 47.044 21.743 1.00 21.20 ? 45 VAL A CG2 1
770
+ ATOM 333 N N . LEU A 1 46 ? 16.921 45.051 19.329 1.00 24.94 ? 46 LEU A N 1
771
+ ATOM 334 C CA . LEU A 1 46 ? 16.251 43.754 19.346 1.00 27.00 ? 46 LEU A CA 1
772
+ ATOM 335 C C . LEU A 1 46 ? 15.316 43.748 18.128 1.00 27.79 ? 46 LEU A C 1
773
+ ATOM 336 O O . LEU A 1 46 ? 14.117 43.796 18.267 1.00 28.05 ? 46 LEU A O 1
774
+ ATOM 337 C CB . LEU A 1 46 ? 15.545 43.571 20.720 1.00 26.57 ? 46 LEU A CB 1
775
+ ATOM 338 C CG . LEU A 1 46 ? 14.741 42.319 21.055 1.00 28.99 ? 46 LEU A CG 1
776
+ ATOM 339 C CD1 . LEU A 1 46 ? 15.647 41.098 20.939 1.00 28.26 ? 46 LEU A CD1 1
777
+ ATOM 340 C CD2 . LEU A 1 46 ? 14.024 42.419 22.435 1.00 27.95 ? 46 LEU A CD2 1
778
+ ATOM 341 N N . PRO A 1 47 ? 15.890 43.728 16.912 1.00 30.17 ? 47 PRO A N 1
779
+ ATOM 342 C CA . PRO A 1 47 ? 15.119 44.073 15.719 1.00 31.83 ? 47 PRO A CA 1
780
+ ATOM 343 C C . PRO A 1 47 ? 14.169 42.999 15.168 1.00 34.53 ? 47 PRO A C 1
781
+ ATOM 344 O O . PRO A 1 47 ? 13.270 43.343 14.388 1.00 35.01 ? 47 PRO A O 1
782
+ ATOM 345 C CB . PRO A 1 47 ? 16.208 44.398 14.695 1.00 32.01 ? 47 PRO A CB 1
783
+ ATOM 346 C CG . PRO A 1 47 ? 17.368 43.500 15.092 1.00 31.17 ? 47 PRO A CG 1
784
+ ATOM 347 C CD . PRO A 1 47 ? 17.301 43.414 16.597 1.00 30.03 ? 47 PRO A CD 1
785
+ ATOM 348 N N . GLU A 1 48 ? 14.353 41.739 15.557 1.00 36.59 ? 48 GLU A N 1
786
+ ATOM 349 C CA . GLU A 1 48 ? 13.543 40.632 15.028 1.00 38.88 ? 48 GLU A CA 1
787
+ ATOM 350 C C . GLU A 1 48 ? 12.524 40.150 16.035 1.00 39.71 ? 48 GLU A C 1
788
+ ATOM 351 O O . GLU A 1 48 ? 11.952 39.068 15.876 1.00 40.67 ? 48 GLU A O 1
789
+ ATOM 352 C CB . GLU A 1 48 ? 14.432 39.452 14.579 1.00 39.27 ? 48 GLU A CB 1
790
+ ATOM 353 C CG . GLU A 1 48 ? 15.377 39.768 13.424 1.00 42.71 ? 48 GLU A CG 1
791
+ ATOM 354 C CD . GLU A 1 48 ? 14.703 40.555 12.296 1.00 47.72 ? 48 GLU A CD 1
792
+ ATOM 355 O OE1 . GLU A 1 48 ? 13.548 40.207 11.925 1.00 49.98 ? 48 GLU A OE1 1
793
+ ATOM 356 O OE2 . GLU A 1 48 ? 15.330 41.528 11.796 1.00 51.57 ? 48 GLU A OE2 1
794
+ ATOM 357 N N . ALA A 1 49 ? 12.324 40.944 17.086 1.00 40.21 ? 49 ALA A N 1
795
+ ATOM 358 C CA . ALA A 1 49 ? 11.155 40.846 17.939 1.00 40.61 ? 49 ALA A CA 1
796
+ ATOM 359 C C . ALA A 1 49 ? 10.318 42.111 17.748 1.00 40.72 ? 49 ALA A C 1
797
+ ATOM 360 O O . ALA A 1 49 ? 10.775 43.123 17.145 1.00 41.41 ? 49 ALA A O 1
798
+ ATOM 361 C CB . ALA A 1 49 ? 11.557 40.702 19.372 1.00 40.72 ? 49 ALA A CB 1
799
+ ATOM 362 N N . THR A 1 50 ? 9.082 42.052 18.228 1.00 39.82 ? 50 THR A N 1
800
+ ATOM 363 C CA . THR A 1 50 ? 8.276 43.256 18.345 1.00 39.15 ? 50 THR A CA 1
801
+ ATOM 364 C C . THR A 1 50 ? 8.081 43.451 19.841 1.00 37.96 ? 50 THR A C 1
802
+ ATOM 365 O O . THR A 1 50 ? 7.832 42.486 20.599 1.00 38.47 ? 50 THR A O 1
803
+ ATOM 366 C CB . THR A 1 50 ? 6.929 43.193 17.593 1.00 39.97 ? 50 THR A CB 1
804
+ ATOM 367 O OG1 . THR A 1 50 ? 7.150 42.824 16.215 1.00 40.55 ? 50 THR A OG1 1
805
+ ATOM 368 C CG2 . THR A 1 50 ? 6.244 44.555 17.646 1.00 39.67 ? 50 THR A CG2 1
806
+ ATOM 369 N N . THR A 1 51 ? 8.297 44.689 20.265 1.00 35.77 ? 51 THR A N 1
807
+ ATOM 370 C CA . THR A 1 51 ? 8.322 45.012 21.680 1.00 33.20 ? 51 THR A CA 1
808
+ ATOM 371 C C . THR A 1 51 ? 7.291 46.097 21.906 1.00 31.53 ? 51 THR A C 1
809
+ ATOM 372 O O . THR A 1 51 ? 7.388 47.204 21.330 1.00 30.77 ? 51 THR A O 1
810
+ ATOM 373 C CB . THR A 1 51 ? 9.722 45.493 22.132 1.00 32.88 ? 51 THR A CB 1
811
+ ATOM 374 O OG1 . THR A 1 51 ? 10.650 44.410 22.031 1.00 30.35 ? 51 THR A OG1 1
812
+ ATOM 375 C CG2 . THR A 1 51 ? 9.688 45.933 23.567 1.00 32.33 ? 51 THR A CG2 1
813
+ ATOM 376 N N . THR A 1 52 ? 6.330 45.773 22.768 1.00 28.76 ? 52 THR A N 1
814
+ ATOM 377 C CA . THR A 1 52 ? 5.266 46.710 23.126 1.00 28.31 ? 52 THR A CA 1
815
+ ATOM 378 C C . THR A 1 52 ? 5.469 47.336 24.521 1.00 25.69 ? 52 THR A C 1
816
+ ATOM 379 O O . THR A 1 52 ? 4.857 48.360 24.874 1.00 24.17 ? 52 THR A O 1
817
+ ATOM 380 C CB . THR A 1 52 ? 3.883 46.017 23.051 1.00 27.46 ? 52 THR A CB 1
818
+ ATOM 381 O OG1 . THR A 1 52 ? 3.749 45.016 24.064 1.00 31.95 ? 52 THR A OG1 1
819
+ ATOM 382 C CG2 . THR A 1 52 ? 3.673 45.416 21.677 1.00 30.04 ? 52 THR A CG2 1
820
+ ATOM 383 N N . ALA A 1 53 ? 6.321 46.695 25.314 1.00 23.42 ? 53 ALA A N 1
821
+ ATOM 384 C CA . ALA A 1 53 ? 6.552 47.123 26.685 1.00 21.43 ? 53 ALA A CA 1
822
+ ATOM 385 C C . ALA A 1 53 ? 7.931 46.678 27.190 1.00 21.54 ? 53 ALA A C 1
823
+ ATOM 386 O O . ALA A 1 53 ? 8.693 45.982 26.503 1.00 22.19 ? 53 ALA A O 1
824
+ ATOM 387 C CB . ALA A 1 53 ? 5.424 46.585 27.616 1.00 22.47 ? 53 ALA A CB 1
825
+ ATOM 388 N N . PHE A 1 54 ? 8.262 47.106 28.390 1.00 20.70 ? 54 PHE A N 1
826
+ ATOM 389 C CA . PHE A 1 54 ? 9.426 46.538 29.071 1.00 21.50 ? 54 PHE A CA 1
827
+ ATOM 390 C C . PHE A 1 54 ? 9.209 46.504 30.573 1.00 21.56 ? 54 PHE A C 1
828
+ ATOM 391 O O . PHE A 1 54 ? 8.283 47.177 31.095 1.00 21.62 ? 54 PHE A O 1
829
+ ATOM 392 C CB . PHE A 1 54 ? 10.675 47.333 28.716 1.00 20.75 ? 54 PHE A CB 1
830
+ ATOM 393 C CG . PHE A 1 54 ? 10.590 48.760 29.116 1.00 21.10 ? 54 PHE A CG 1
831
+ ATOM 394 C CD1 . PHE A 1 54 ? 10.896 49.141 30.403 1.00 21.35 ? 54 PHE A CD1 1
832
+ ATOM 395 C CD2 . PHE A 1 54 ? 10.182 49.718 28.196 1.00 22.61 ? 54 PHE A CD2 1
833
+ ATOM 396 C CE1 . PHE A 1 54 ? 10.771 50.423 30.802 1.00 23.31 ? 54 PHE A CE1 1
834
+ ATOM 397 C CE2 . PHE A 1 54 ? 10.101 51.041 28.588 1.00 26.03 ? 54 PHE A CE2 1
835
+ ATOM 398 C CZ . PHE A 1 54 ? 10.361 51.366 29.918 1.00 21.86 ? 54 PHE A CZ 1
836
+ ATOM 399 N N . GLU A 1 55 ? 10.074 45.766 31.248 1.00 21.12 ? 55 GLU A N 1
837
+ ATOM 400 C CA . GLU A 1 55 ? 10.046 45.624 32.685 1.00 21.26 ? 55 GLU A CA 1
838
+ ATOM 401 C C . GLU A 1 55 ? 11.290 46.208 33.379 1.00 21.38 ? 55 GLU A C 1
839
+ ATOM 402 O O . GLU A 1 55 ? 12.379 46.278 32.808 1.00 20.13 ? 55 GLU A O 1
840
+ ATOM 403 C CB . GLU A 1 55 ? 9.890 44.123 33.076 1.00 21.82 ? 55 GLU A CB 1
841
+ ATOM 404 C CG . GLU A 1 55 ? 8.616 43.467 32.603 1.00 22.17 ? 55 GLU A CG 1
842
+ ATOM 405 C CD . GLU A 1 55 ? 8.556 41.961 32.802 1.00 24.37 ? 55 GLU A CD 1
843
+ ATOM 406 O OE1 . GLU A 1 55 ? 9.464 41.362 33.412 1.00 29.85 ? 55 GLU A OE1 1
844
+ ATOM 407 O OE2 . GLU A 1 55 ? 7.570 41.379 32.348 1.00 29.40 ? 55 GLU A OE2 1
845
+ ATOM 408 N N . TYR A 1 56 ? 11.127 46.593 34.640 1.00 20.51 ? 56 TYR A N 1
846
+ ATOM 409 C CA . TYR A 1 56 ? 12.243 46.890 35.508 1.00 20.82 ? 56 TYR A CA 1
847
+ ATOM 410 C C . TYR A 1 56 ? 11.990 46.228 36.858 1.00 21.52 ? 56 TYR A C 1
848
+ ATOM 411 O O . TYR A 1 56 ? 10.861 45.809 37.144 1.00 21.42 ? 56 TYR A O 1
849
+ ATOM 412 C CB . TYR A 1 56 ? 12.436 48.365 35.688 1.00 19.83 ? 56 TYR A CB 1
850
+ ATOM 413 C CG . TYR A 1 56 ? 11.331 49.117 36.437 1.00 20.41 ? 56 TYR A CG 1
851
+ ATOM 414 C CD1 . TYR A 1 56 ? 11.486 49.506 37.785 1.00 20.07 ? 56 TYR A CD1 1
852
+ ATOM 415 C CD2 . TYR A 1 56 ? 10.167 49.550 35.743 1.00 21.44 ? 56 TYR A CD2 1
853
+ ATOM 416 C CE1 . TYR A 1 56 ? 10.471 50.245 38.435 1.00 20.75 ? 56 TYR A CE1 1
854
+ ATOM 417 C CE2 . TYR A 1 56 ? 9.164 50.271 36.367 1.00 19.56 ? 56 TYR A CE2 1
855
+ ATOM 418 C CZ . TYR A 1 56 ? 9.318 50.629 37.707 1.00 19.19 ? 56 TYR A CZ 1
856
+ ATOM 419 O OH . TYR A 1 56 ? 8.361 51.354 38.304 1.00 18.76 ? 56 TYR A OH 1
857
+ ATOM 420 N N . GLU A 1 57 ? 13.025 46.157 37.673 1.00 22.32 ? 57 GLU A N 1
858
+ ATOM 421 C CA . GLU A 1 57 ? 12.913 45.583 39.026 0.50 22.94 ? 57 GLU A CA 1
859
+ ATOM 422 C C . GLU A 1 57 ? 12.775 46.694 40.052 1.00 22.49 ? 57 GLU A C 1
860
+ ATOM 423 O O . GLU A 1 57 ? 13.572 47.630 40.093 1.00 23.39 ? 57 GLU A O 1
861
+ ATOM 424 C CB . GLU A 1 57 ? 14.116 44.689 39.344 0.50 23.42 ? 57 GLU A CB 1
862
+ ATOM 425 C CG . GLU A 1 57 ? 13.996 43.914 40.664 0.50 23.96 ? 57 GLU A CG 1
863
+ ATOM 426 C CD . GLU A 1 57 ? 15.210 43.023 40.977 0.50 24.18 ? 57 GLU A CD 1
864
+ ATOM 427 O OE1 . GLU A 1 57 ? 15.451 42.039 40.238 0.50 27.43 ? 57 GLU A OE1 1
865
+ ATOM 428 O OE2 . GLU A 1 57 ? 15.914 43.314 41.969 0.50 25.04 ? 57 GLU A OE2 1
866
+ ATOM 429 N N . ASP A 1 58 ? 11.755 46.609 40.907 1.00 22.65 ? 58 ASP A N 1
867
+ ATOM 430 C CA . ASP A 1 58 ? 11.552 47.641 41.915 1.00 23.86 ? 58 ASP A CA 1
868
+ ATOM 431 C C . ASP A 1 58 ? 12.296 47.282 43.207 1.00 25.27 ? 58 ASP A C 1
869
+ ATOM 432 O O . ASP A 1 58 ? 13.014 46.282 43.268 1.00 25.65 ? 58 ASP A O 1
870
+ ATOM 433 C CB . ASP A 1 58 ? 10.053 47.937 42.145 1.00 23.74 ? 58 ASP A CB 1
871
+ ATOM 434 C CG . ASP A 1 58 ? 9.347 46.882 42.974 1.00 23.31 ? 58 ASP A CG 1
872
+ ATOM 435 O OD1 . ASP A 1 58 ? 9.954 45.839 43.320 1.00 23.49 ? 58 ASP A OD1 1
873
+ ATOM 436 O OD2 . ASP A 1 58 ? 8.142 47.076 43.239 1.00 24.55 ? 58 ASP A OD2 1
874
+ ATOM 437 N N . GLU A 1 59 ? 12.110 48.102 44.219 1.00 26.05 ? 59 GLU A N 1
875
+ ATOM 438 C CA . GLU A 1 59 ? 12.790 47.932 45.499 1.00 27.35 ? 59 GLU A CA 1
876
+ ATOM 439 C C . GLU A 1 59 ? 12.434 46.660 46.270 1.00 28.74 ? 59 GLU A C 1
877
+ ATOM 440 O O . GLU A 1 59 ? 13.165 46.292 47.207 1.00 30.02 ? 59 GLU A O 1
878
+ ATOM 441 C CB . GLU A 1 59 ? 12.504 49.148 46.368 1.00 27.56 ? 59 GLU A CB 1
879
+ ATOM 442 C CG . GLU A 1 59 ? 11.074 49.203 46.950 1.00 27.65 ? 59 GLU A CG 1
880
+ ATOM 443 C CD . GLU A 1 59 ? 10.050 49.828 46.070 1.00 26.03 ? 59 GLU A CD 1
881
+ ATOM 444 O OE1 . GLU A 1 59 ? 10.333 50.155 44.894 1.00 27.04 ? 59 GLU A OE1 1
882
+ ATOM 445 O OE2 . GLU A 1 59 ? 8.914 50.013 46.567 1.00 30.08 ? 59 GLU A OE2 1
883
+ ATOM 446 N N . ASP A 1 60 ? 11.318 46.019 45.911 1.00 28.56 ? 60 ASP A N 1
884
+ ATOM 447 C CA . ASP A 1 60 ? 10.868 44.753 46.469 1.00 29.86 ? 60 ASP A CA 1
885
+ ATOM 448 C C . ASP A 1 60 ? 11.408 43.575 45.654 1.00 28.92 ? 60 ASP A C 1
886
+ ATOM 449 O O . ASP A 1 60 ? 11.119 42.414 45.965 1.00 29.88 ? 60 ASP A O 1
887
+ ATOM 450 C CB . ASP A 1 60 ? 9.323 44.706 46.495 1.00 30.56 ? 60 ASP A CB 1
888
+ ATOM 451 C CG . ASP A 1 60 ? 8.721 45.702 47.481 1.00 33.45 ? 60 ASP A CG 1
889
+ ATOM 452 O OD1 . ASP A 1 60 ? 9.397 46.002 48.491 1.00 34.58 ? 60 ASP A OD1 1
890
+ ATOM 453 O OD2 . ASP A 1 60 ? 7.577 46.186 47.261 1.00 34.31 ? 60 ASP A OD2 1
891
+ ATOM 454 N N . GLY A 1 61 ? 12.169 43.865 44.600 1.00 27.40 ? 61 GLY A N 1
892
+ ATOM 455 C CA . GLY A 1 61 ? 12.656 42.835 43.689 1.00 27.54 ? 61 GLY A CA 1
893
+ ATOM 456 C C . GLY A 1 61 ? 11.613 42.321 42.692 1.00 27.44 ? 61 GLY A C 1
894
+ ATOM 457 O O . GLY A 1 61 ? 11.860 41.333 41.991 1.00 28.52 ? 61 GLY A O 1
895
+ ATOM 458 N N . ASP A 1 62 ? 10.472 43.017 42.575 1.00 25.82 ? 62 ASP A N 1
896
+ ATOM 459 C CA . ASP A 1 62 ? 9.390 42.591 41.660 1.00 24.79 ? 62 ASP A CA 1
897
+ ATOM 460 C C . ASP A 1 62 ? 9.623 43.184 40.269 1.00 23.38 ? 62 ASP A C 1
898
+ ATOM 461 O O . ASP A 1 62 ? 10.043 44.322 40.156 1.00 23.01 ? 62 ASP A O 1
899
+ ATOM 462 C CB . ASP A 1 62 ? 8.033 43.093 42.128 1.00 24.58 ? 62 ASP A CB 1
900
+ ATOM 463 C CG . ASP A 1 62 ? 7.497 42.373 43.346 1.00 28.50 ? 62 ASP A CG 1
901
+ ATOM 464 O OD1 . ASP A 1 62 ? 8.115 41.396 43.804 1.00 30.03 ? 62 ASP A OD1 1
902
+ ATOM 465 O OD2 . ASP A 1 62 ? 6.464 42.825 43.856 1.00 28.49 ? 62 ASP A OD2 1
903
+ ATOM 466 N N . ARG A 1 63 ? 9.277 42.422 39.235 1.00 23.52 ? 63 ARG A N 1
904
+ ATOM 467 C CA . ARG A 1 63 ? 9.267 42.921 37.870 1.00 23.24 ? 63 ARG A CA 1
905
+ ATOM 468 C C . ARG A 1 63 ? 7.991 43.736 37.615 1.00 21.44 ? 63 ARG A C 1
906
+ ATOM 469 O O . ARG A 1 63 ? 6.882 43.236 37.727 1.00 20.47 ? 63 ARG A O 1
907
+ ATOM 470 C CB . ARG A 1 63 ? 9.425 41.789 36.868 1.00 24.04 ? 63 ARG A CB 1
908
+ ATOM 471 C CG . ARG A 1 63 ? 10.815 41.061 37.008 1.00 28.89 ? 63 ARG A CG 1
909
+ ATOM 472 C CD . ARG A 1 63 ? 12.010 41.749 36.294 1.00 33.27 ? 63 ARG A CD 1
910
+ ATOM 473 N NE . ARG A 1 63 ? 12.003 41.289 34.925 1.00 37.67 ? 63 ARG A NE 1
911
+ ATOM 474 C CZ . ARG A 1 63 ? 12.835 40.423 34.355 1.00 32.91 ? 63 ARG A CZ 1
912
+ ATOM 475 N NH1 . ARG A 1 63 ? 13.941 39.932 34.925 1.00 32.94 ? 63 ARG A NH1 1
913
+ ATOM 476 N NH2 . ARG A 1 63 ? 12.565 40.099 33.125 1.00 37.06 ? 63 ARG A NH2 1
914
+ ATOM 477 N N . ILE A 1 64 ? 8.212 45.008 37.290 1.00 19.54 ? 64 ILE A N 1
915
+ ATOM 478 C CA . ILE A 1 64 ? 7.191 45.986 37.003 1.00 19.34 ? 64 ILE A CA 1
916
+ ATOM 479 C C . ILE A 1 64 ? 7.202 46.251 35.497 1.00 20.01 ? 64 ILE A C 1
917
+ ATOM 480 O O . ILE A 1 64 ? 8.251 46.618 34.919 1.00 21.43 ? 64 ILE A O 1
918
+ ATOM 481 C CB . ILE A 1 64 ? 7.500 47.300 37.760 1.00 19.06 ? 64 ILE A CB 1
919
+ ATOM 482 C CG1 . ILE A 1 64 ? 7.776 47.031 39.267 1.00 19.09 ? 64 ILE A CG1 1
920
+ ATOM 483 C CG2 . ILE A 1 64 ? 6.393 48.410 37.554 1.00 19.12 ? 64 ILE A CG2 1
921
+ ATOM 484 C CD1 . ILE A 1 64 ? 6.659 46.211 40.025 1.00 17.03 ? 64 ILE A CD1 1
922
+ ATOM 485 N N . THR A 1 65 ? 6.023 46.139 34.905 1.00 19.74 ? 65 THR A N 1
923
+ ATOM 486 C CA . THR A 1 65 ? 5.833 46.409 33.477 1.00 19.68 ? 65 THR A CA 1
924
+ ATOM 487 C C . THR A 1 65 ? 5.510 47.900 33.256 1.00 20.19 ? 65 THR A C 1
925
+ ATOM 488 O O . THR A 1 65 ? 4.710 48.495 34.013 1.00 20.49 ? 65 THR A O 1
926
+ ATOM 489 C CB . THR A 1 65 ? 4.732 45.527 32.874 1.00 20.49 ? 65 THR A CB 1
927
+ ATOM 490 O OG1 . THR A 1 65 ? 5.068 44.161 33.087 1.00 21.07 ? 65 THR A OG1 1
928
+ ATOM 491 C CG2 . THR A 1 65 ? 4.661 45.752 31.394 1.00 20.35 ? 65 THR A CG2 1
929
+ ATOM 492 N N . VAL A 1 66 ? 6.116 48.466 32.211 1.00 19.77 ? 66 VAL A N 1
930
+ ATOM 493 C CA . VAL A 1 66 ? 5.900 49.860 31.856 1.00 19.02 ? 66 VAL A CA 1
931
+ ATOM 494 C C . VAL A 1 66 ? 5.231 49.873 30.457 1.00 19.13 ? 66 VAL A C 1
932
+ ATOM 495 O O . VAL A 1 66 ? 5.750 49.277 29.495 1.00 19.37 ? 66 VAL A O 1
933
+ ATOM 496 C CB . VAL A 1 66 ? 7.233 50.654 31.832 1.00 17.99 ? 66 VAL A CB 1
934
+ ATOM 497 C CG1 . VAL A 1 66 ? 7.023 52.119 31.309 1.00 19.68 ? 66 VAL A CG1 1
935
+ ATOM 498 C CG2 . VAL A 1 66 ? 7.925 50.644 33.242 1.00 20.15 ? 66 VAL A CG2 1
936
+ ATOM 499 N N . ARG A 1 67 ? 4.090 50.542 30.385 1.00 20.33 ? 67 ARG A N 1
937
+ ATOM 500 C CA . ARG A 1 67 ? 3.266 50.635 29.151 1.00 20.89 ? 67 ARG A CA 1
938
+ ATOM 501 C C . ARG A 1 67 ? 2.851 52.053 28.810 1.00 21.01 ? 67 ARG A C 1
939
+ ATOM 502 O O . ARG A 1 67 ? 2.060 52.247 27.895 1.00 21.74 ? 67 ARG A O 1
940
+ ATOM 503 C CB . ARG A 1 67 ? 2.030 49.730 29.237 1.00 21.36 ? 67 ARG A CB 1
941
+ ATOM 504 C CG . ARG A 1 67 ? 2.360 48.270 29.461 1.00 21.22 ? 67 ARG A CG 1
942
+ ATOM 505 C CD . ARG A 1 67 ? 1.125 47.418 29.266 1.00 23.59 ? 67 ARG A CD 1
943
+ ATOM 506 N NE . ARG A 1 67 ? 1.383 46.012 29.616 1.00 23.80 ? 67 ARG A NE 1
944
+ ATOM 507 C CZ . ARG A 1 67 ? 1.797 45.105 28.737 1.00 23.52 ? 67 ARG A CZ 1
945
+ ATOM 508 N NH1 . ARG A 1 67 ? 2.003 45.444 27.477 1.00 23.75 ? 67 ARG A NH1 1
946
+ ATOM 509 N NH2 . ARG A 1 67 ? 2.034 43.852 29.114 1.00 22.89 ? 67 ARG A NH2 1
947
+ ATOM 510 N N . SER A 1 68 ? 3.416 53.041 29.490 1.00 21.48 ? 68 SER A N 1
948
+ ATOM 511 C CA . SER A 1 68 ? 2.967 54.425 29.378 1.00 21.57 ? 68 SER A CA 1
949
+ ATOM 512 C C . SER A 1 68 ? 4.018 55.412 29.862 1.00 22.00 ? 68 SER A C 1
950
+ ATOM 513 O O . SER A 1 68 ? 4.897 55.084 30.665 1.00 20.75 ? 68 SER A O 1
951
+ ATOM 514 C CB . SER A 1 68 ? 1.657 54.662 30.166 1.00 22.06 ? 68 SER A CB 1
952
+ ATOM 515 O OG . SER A 1 68 ? 1.886 54.876 31.566 1.00 19.42 ? 68 SER A OG 1
953
+ ATOM 516 N N . ASP A 1 69 ? 3.890 56.660 29.439 1.00 21.62 ? 69 ASP A N 1
954
+ ATOM 517 C CA . ASP A 1 69 ? 4.758 57.708 29.972 1.00 22.83 ? 69 ASP A CA 1
955
+ ATOM 518 C C . ASP A 1 69 ? 4.591 58.009 31.471 1.00 22.87 ? 69 ASP A C 1
956
+ ATOM 519 O O . ASP A 1 69 ? 5.583 58.273 32.165 1.00 22.14 ? 69 ASP A O 1
957
+ ATOM 520 C CB . ASP A 1 69 ? 4.597 58.999 29.186 1.00 24.09 ? 69 ASP A CB 1
958
+ ATOM 521 C CG . ASP A 1 69 ? 5.297 58.944 27.872 1.00 24.34 ? 69 ASP A CG 1
959
+ ATOM 522 O OD1 . ASP A 1 69 ? 6.545 58.828 27.855 1.00 27.45 ? 69 ASP A OD1 1
960
+ ATOM 523 O OD2 . ASP A 1 69 ? 4.599 59.078 26.856 1.00 27.29 ? 69 ASP A OD2 1
961
+ ATOM 524 N N . GLU A 1 70 ? 3.364 57.911 31.977 1.00 22.75 ? 70 GLU A N 1
962
+ ATOM 525 C CA . GLU A 1 70 ? 3.142 58.133 33.396 0.60 22.56 ? 70 GLU A CA 1
963
+ ATOM 526 C C . GLU A 1 70 ? 3.903 57.019 34.163 1.00 21.39 ? 70 GLU A C 1
964
+ ATOM 527 O O . GLU A 1 70 ? 4.500 57.273 35.199 1.00 21.15 ? 70 GLU A O 1
965
+ ATOM 528 C CB . GLU A 1 70 ? 1.640 58.170 33.746 0.60 23.29 ? 70 GLU A CB 1
966
+ ATOM 529 C CG . GLU A 1 70 ? 0.954 59.535 33.511 0.60 25.85 ? 70 GLU A CG 1
967
+ ATOM 530 C CD . GLU A 1 70 ? 1.123 60.527 34.677 0.60 32.05 ? 70 GLU A CD 1
968
+ ATOM 531 O OE1 . GLU A 1 70 ? 0.312 60.474 35.637 0.60 36.13 ? 70 GLU A OE1 1
969
+ ATOM 532 O OE2 . GLU A 1 70 ? 2.043 61.379 34.627 0.60 33.18 ? 70 GLU A OE2 1
970
+ ATOM 533 N N . GLU A 1 71 ? 3.900 55.800 33.637 1.00 20.04 ? 71 GLU A N 1
971
+ ATOM 534 C CA . GLU A 1 71 ? 4.610 54.677 34.270 1.00 19.35 ? 71 GLU A CA 1
972
+ ATOM 535 C C . GLU A 1 71 ? 6.128 54.884 34.168 1.00 20.51 ? 71 GLU A C 1
973
+ ATOM 536 O O . GLU A 1 71 ? 6.912 54.595 35.110 1.00 20.12 ? 71 GLU A O 1
974
+ ATOM 537 C CB . GLU A 1 71 ? 4.163 53.365 33.638 1.00 21.02 ? 71 GLU A CB 1
975
+ ATOM 538 C CG . GLU A 1 71 ? 2.712 53.038 34.060 1.00 20.55 ? 71 GLU A CG 1
976
+ ATOM 539 C CD . GLU A 1 71 ? 2.125 51.936 33.253 1.00 25.33 ? 71 GLU A CD 1
977
+ ATOM 540 O OE1 . GLU A 1 71 ? 2.810 50.935 32.991 1.00 25.44 ? 71 GLU A OE1 1
978
+ ATOM 541 O OE2 . GLU A 1 71 ? 0.948 52.057 32.900 1.00 26.05 ? 71 GLU A OE2 1
979
+ ATOM 542 N N . MET A 1 72 ? 6.559 55.403 33.025 1.00 21.81 ? 72 MET A N 1
980
+ ATOM 543 C CA . MET A 1 72 ? 7.963 55.795 32.856 1.00 23.68 ? 72 MET A CA 1
981
+ ATOM 544 C C . MET A 1 72 ? 8.421 56.775 33.916 1.00 22.66 ? 72 MET A C 1
982
+ ATOM 545 O O . MET A 1 72 ? 9.485 56.604 34.539 1.00 22.61 ? 72 MET A O 1
983
+ ATOM 546 C CB . MET A 1 72 ? 8.131 56.498 31.510 1.00 25.28 ? 72 MET A CB 1
984
+ ATOM 547 C CG . MET A 1 72 ? 8.197 55.585 30.385 1.00 29.38 ? 72 MET A CG 1
985
+ ATOM 548 S SD . MET A 1 72 ? 9.856 54.964 30.320 1.00 35.51 ? 72 MET A SD 1
986
+ ATOM 549 C CE . MET A 1 72 ? 10.575 56.365 29.541 1.00 25.52 ? 72 MET A CE 1
987
+ ATOM 550 N N . LYS A 1 73 ? 7.613 57.804 34.150 1.00 23.80 ? 73 LYS A N 1
988
+ ATOM 551 C CA . LYS A 1 73 ? 7.949 58.809 35.148 1.00 25.00 ? 73 LYS A CA 1
989
+ ATOM 552 C C . LYS A 1 73 ? 8.101 58.205 36.573 1.00 23.05 ? 73 LYS A C 1
990
+ ATOM 553 O O . LYS A 1 73 ? 9.039 58.521 37.286 1.00 22.88 ? 73 LYS A O 1
991
+ ATOM 554 C CB . LYS A 1 73 ? 6.958 59.967 35.089 1.00 26.42 ? 73 LYS A CB 1
992
+ ATOM 555 C CG . LYS A 1 73 ? 7.050 60.789 33.790 1.00 31.33 ? 73 LYS A CG 1
993
+ ATOM 556 C CD . LYS A 1 73 ? 5.903 61.870 33.621 1.00 31.48 ? 73 LYS A CD 1
994
+ ATOM 557 C CE . LYS A 1 73 ? 4.842 61.465 32.572 1.00 36.30 ? 73 LYS A CE 1
995
+ ATOM 558 N NZ . LYS A 1 73 ? 3.473 62.029 32.709 1.00 39.26 ? 73 LYS A NZ 1
996
+ ATOM 559 N N . ALA A 1 74 ? 7.215 57.289 36.943 1.00 21.15 ? 74 ALA A N 1
997
+ ATOM 560 C CA . ALA A 1 74 ? 7.307 56.593 38.242 1.00 21.18 ? 74 ALA A CA 1
998
+ ATOM 561 C C . ALA A 1 74 ? 8.602 55.731 38.303 1.00 19.97 ? 74 ALA A C 1
999
+ ATOM 562 O O . ALA A 1 74 ? 9.270 55.667 39.349 1.00 20.12 ? 74 ALA A O 1
1000
+ ATOM 563 C CB . ALA A 1 74 ? 6.068 55.730 38.492 1.00 22.34 ? 74 ALA A CB 1
1001
+ ATOM 564 N N . MET A 1 75 ? 8.951 55.069 37.203 1.00 19.31 ? 75 MET A N 1
1002
+ ATOM 565 C CA . MET A 1 75 ? 10.178 54.297 37.166 1.00 19.39 ? 75 MET A CA 1
1003
+ ATOM 566 C C . MET A 1 75 ? 11.390 55.207 37.349 1.00 19.12 ? 75 MET A C 1
1004
+ ATOM 567 O O . MET A 1 75 ? 12.286 54.941 38.173 1.00 17.88 ? 75 MET A O 1
1005
+ ATOM 568 C CB . MET A 1 75 ? 10.311 53.588 35.816 1.00 20.08 ? 75 MET A CB 1
1006
+ ATOM 569 C CG . MET A 1 75 ? 11.548 52.784 35.697 1.00 20.10 ? 75 MET A CG 1
1007
+ ATOM 570 S SD . MET A 1 75 ? 11.771 52.122 34.044 1.00 19.98 ? 75 MET A SD 1
1008
+ ATOM 571 C CE . MET A 1 75 ? 12.144 53.631 33.082 1.00 18.09 ? 75 MET A CE 1
1009
+ ATOM 572 N N . LEU A 1 76 ? 11.441 56.276 36.553 1.00 19.31 ? 76 LEU A N 1
1010
+ ATOM 573 C CA . LEU A 1 76 ? 12.554 57.211 36.640 1.00 20.75 ? 76 LEU A CA 1
1011
+ ATOM 574 C C . LEU A 1 76 ? 12.684 57.839 38.022 1.00 21.75 ? 76 LEU A C 1
1012
+ ATOM 575 O O . LEU A 1 76 ? 13.774 57.897 38.591 1.00 20.70 ? 76 LEU A O 1
1013
+ ATOM 576 C CB . LEU A 1 76 ? 12.472 58.278 35.541 1.00 20.88 ? 76 LEU A CB 1
1014
+ ATOM 577 C CG . LEU A 1 76 ? 12.697 57.771 34.102 1.00 21.51 ? 76 LEU A CG 1
1015
+ ATOM 578 C CD1 . LEU A 1 76 ? 12.227 58.842 33.121 1.00 23.75 ? 76 LEU A CD1 1
1016
+ ATOM 579 C CD2 . LEU A 1 76 ? 14.196 57.413 33.900 1.00 23.81 ? 76 LEU A CD2 1
1017
+ ATOM 580 N N . SER A 1 77 ? 11.562 58.230 38.617 1.00 22.13 ? 77 SER A N 1
1018
+ ATOM 581 C CA . SER A 1 77 ? 11.585 58.891 39.902 1.00 23.96 ? 77 SER A CA 1
1019
+ ATOM 582 C C . SER A 1 77 ? 12.211 57.976 40.963 1.00 23.20 ? 77 SER A C 1
1020
+ ATOM 583 O O . SER A 1 77 ? 13.066 58.386 41.751 1.00 22.71 ? 77 SER A O 1
1021
+ ATOM 584 C CB . SER A 1 77 ? 10.147 59.353 40.267 1.00 25.15 ? 77 SER A CB 1
1022
+ ATOM 585 O OG . SER A 1 77 ? 10.090 59.811 41.593 1.00 31.10 ? 77 SER A OG 1
1023
+ ATOM 586 N N . TYR A 1 78 ? 11.807 56.720 40.968 1.00 21.80 ? 78 TYR A N 1
1024
+ ATOM 587 C CA . TYR A 1 78 ? 12.375 55.739 41.879 1.00 23.60 ? 78 TYR A CA 1
1025
+ ATOM 588 C C . TYR A 1 78 ? 13.876 55.556 41.646 1.00 22.40 ? 78 TYR A C 1
1026
+ ATOM 589 O O . TYR A 1 78 ? 14.682 55.537 42.616 1.00 21.95 ? 78 TYR A O 1
1027
+ ATOM 590 C CB . TYR A 1 78 ? 11.621 54.423 41.731 1.00 25.45 ? 78 TYR A CB 1
1028
+ ATOM 591 C CG . TYR A 1 78 ? 12.371 53.188 42.160 1.00 29.10 ? 78 TYR A CG 1
1029
+ ATOM 592 C CD1 . TYR A 1 78 ? 12.632 52.946 43.502 1.00 29.92 ? 78 TYR A CD1 1
1030
+ ATOM 593 C CD2 . TYR A 1 78 ? 12.835 52.279 41.206 1.00 32.09 ? 78 TYR A CD2 1
1031
+ ATOM 594 C CE1 . TYR A 1 78 ? 13.333 51.808 43.896 1.00 32.39 ? 78 TYR A CE1 1
1032
+ ATOM 595 C CE2 . TYR A 1 78 ? 13.543 51.147 41.568 1.00 34.57 ? 78 TYR A CE2 1
1033
+ ATOM 596 C CZ . TYR A 1 78 ? 13.785 50.905 42.911 1.00 33.18 ? 78 TYR A CZ 1
1034
+ ATOM 597 O OH . TYR A 1 78 ? 14.531 49.790 43.259 1.00 35.30 ? 78 TYR A OH 1
1035
+ ATOM 598 N N . TYR A 1 79 ? 14.261 55.439 40.381 1.00 19.95 ? 79 TYR A N 1
1036
+ ATOM 599 C CA . TYR A 1 79 ? 15.671 55.263 40.002 1.00 20.63 ? 79 TYR A CA 1
1037
+ ATOM 600 C C . TYR A 1 79 ? 16.527 56.430 40.546 1.00 21.40 ? 79 TYR A C 1
1038
+ ATOM 601 O O . TYR A 1 79 ? 17.530 56.224 41.235 1.00 21.44 ? 79 TYR A O 1
1039
+ ATOM 602 C CB . TYR A 1 79 ? 15.813 55.171 38.497 1.00 21.05 ? 79 TYR A CB 1
1040
+ ATOM 603 C CG . TYR A 1 79 ? 17.258 54.996 38.073 1.00 19.75 ? 79 TYR A CG 1
1041
+ ATOM 604 C CD1 . TYR A 1 79 ? 17.982 53.848 38.436 1.00 19.79 ? 79 TYR A CD1 1
1042
+ ATOM 605 C CD2 . TYR A 1 79 ? 17.925 56.009 37.384 1.00 21.91 ? 79 TYR A CD2 1
1043
+ ATOM 606 C CE1 . TYR A 1 79 ? 19.339 53.675 38.078 1.00 21.64 ? 79 TYR A CE1 1
1044
+ ATOM 607 C CE2 . TYR A 1 79 ? 19.283 55.863 37.037 1.00 23.61 ? 79 TYR A CE2 1
1045
+ ATOM 608 C CZ . TYR A 1 79 ? 19.997 54.705 37.396 1.00 21.19 ? 79 TYR A CZ 1
1046
+ ATOM 609 O OH . TYR A 1 79 ? 21.344 54.596 37.017 1.00 23.67 ? 79 TYR A OH 1
1047
+ ATOM 610 N N . TYR A 1 80 ? 16.066 57.642 40.261 1.00 22.52 ? 80 TYR A N 1
1048
+ ATOM 611 C CA . TYR A 1 80 ? 16.763 58.869 40.672 1.00 24.09 ? 80 TYR A CA 1
1049
+ ATOM 612 C C . TYR A 1 80 ? 16.911 58.918 42.173 1.00 24.94 ? 80 TYR A C 1
1050
+ ATOM 613 O O . TYR A 1 80 ? 17.982 59.305 42.691 1.00 25.13 ? 80 TYR A O 1
1051
+ ATOM 614 C CB . TYR A 1 80 ? 16.017 60.124 40.163 1.00 24.62 ? 80 TYR A CB 1
1052
+ ATOM 615 C CG . TYR A 1 80 ? 15.971 60.292 38.660 1.00 26.55 ? 80 TYR A CG 1
1053
+ ATOM 616 C CD1 . TYR A 1 80 ? 16.980 59.813 37.834 1.00 28.32 ? 80 TYR A CD1 1
1054
+ ATOM 617 C CD2 . TYR A 1 80 ? 14.889 60.933 38.059 1.00 30.35 ? 80 TYR A CD2 1
1055
+ ATOM 618 C CE1 . TYR A 1 80 ? 16.918 59.958 36.468 1.00 28.50 ? 80 TYR A CE1 1
1056
+ ATOM 619 C CE2 . TYR A 1 80 ? 14.818 61.071 36.688 1.00 28.24 ? 80 TYR A CE2 1
1057
+ ATOM 620 C CZ . TYR A 1 80 ? 15.823 60.609 35.912 1.00 29.15 ? 80 TYR A CZ 1
1058
+ ATOM 621 O OH . TYR A 1 80 ? 15.728 60.760 34.553 1.00 33.22 ? 80 TYR A OH 1
1059
+ ATOM 622 N N . SER A 1 81 ? 15.883 58.497 42.905 1.00 25.37 ? 81 SER A N 1
1060
+ ATOM 623 C CA . SER A 1 81 ? 15.960 58.500 44.377 1.00 27.31 ? 81 SER A CA 1
1061
+ ATOM 624 C C . SER A 1 81 ? 16.967 57.476 44.867 1.00 27.73 ? 81 SER A C 1
1062
+ ATOM 625 O O . SER A 1 81 ? 17.695 57.733 45.838 1.00 27.79 ? 81 SER A O 1
1063
+ ATOM 626 C CB . SER A 1 81 ? 14.590 58.237 45.015 1.00 27.40 ? 81 SER A CB 1
1064
+ ATOM 627 O OG . SER A 1 81 ? 13.680 59.281 44.637 1.00 30.53 ? 81 SER A OG 1
1065
+ ATOM 628 N N . THR A 1 82 ? 17.056 56.329 44.185 1.00 28.06 ? 82 THR A N 1
1066
+ ATOM 629 C CA . THR A 1 82 ? 18.081 55.336 44.557 1.00 28.46 ? 82 THR A CA 1
1067
+ ATOM 630 C C . THR A 1 82 ? 19.503 55.874 44.253 1.00 28.82 ? 82 THR A C 1
1068
+ ATOM 631 O O . THR A 1 82 ? 20.388 55.801 45.110 1.00 29.23 ? 82 THR A O 1
1069
+ ATOM 632 C CB . THR A 1 82 ? 17.826 53.986 43.872 1.00 28.93 ? 82 THR A CB 1
1070
+ ATOM 633 O OG1 . THR A 1 82 ? 16.458 53.592 44.089 1.00 30.37 ? 82 THR A OG1 1
1071
+ ATOM 634 C CG2 . THR A 1 82 ? 18.712 52.954 44.467 1.00 28.15 ? 82 THR A CG2 1
1072
+ ATOM 635 N N . VAL A 1 83 ? 19.697 56.445 43.067 1.00 28.89 ? 83 VAL A N 1
1073
+ ATOM 636 C CA . VAL A 1 83 ? 20.991 57.018 42.668 1.00 29.59 ? 83 VAL A CA 1
1074
+ ATOM 637 C C . VAL A 1 83 ? 21.442 58.123 43.638 1.00 30.84 ? 83 VAL A C 1
1075
+ ATOM 638 O O . VAL A 1 83 ? 22.605 58.148 44.053 1.00 29.73 ? 83 VAL A O 1
1076
+ ATOM 639 C CB . VAL A 1 83 ? 20.998 57.508 41.200 1.00 29.28 ? 83 VAL A CB 1
1077
+ ATOM 640 C CG1 . VAL A 1 83 ? 22.342 58.211 40.858 1.00 30.79 ? 83 VAL A CG1 1
1078
+ ATOM 641 C CG2 . VAL A 1 83 ? 20.790 56.340 40.230 1.00 28.31 ? 83 VAL A CG2 1
1079
+ ATOM 642 N N . MET A 1 84 ? 20.534 58.998 44.041 1.00 32.00 ? 84 MET A N 1
1080
+ ATOM 643 C CA . MET A 1 84 ? 20.864 60.048 45.018 1.00 35.23 ? 84 MET A CA 1
1081
+ ATOM 644 C C . MET A 1 84 ? 21.316 59.512 46.398 1.00 35.50 ? 84 MET A C 1
1082
+ ATOM 645 O O . MET A 1 84 ? 22.263 60.046 46.987 1.00 35.11 ? 84 MET A O 1
1083
+ ATOM 646 C CB . MET A 1 84 ? 19.662 60.973 45.191 1.00 34.19 ? 84 MET A CB 1
1084
+ ATOM 647 C CG . MET A 1 84 ? 19.966 62.273 45.912 1.00 38.19 ? 84 MET A CG 1
1085
+ ATOM 648 S SD . MET A 1 84 ? 18.500 63.305 46.047 1.00 41.29 ? 84 MET A SD 1
1086
+ ATOM 649 C CE . MET A 1 84 ? 17.932 63.308 44.359 1.00 39.18 ? 84 MET A CE 1
1087
+ ATOM 650 N N . GLU A 1 85 ? 20.638 58.486 46.920 1.00 36.85 ? 85 GLU A N 1
1088
+ ATOM 651 C CA . GLU A 1 85 ? 21.094 57.784 48.139 1.00 37.87 ? 85 GLU A CA 1
1089
+ ATOM 652 C C . GLU A 1 85 ? 22.531 57.255 48.019 1.00 38.35 ? 85 GLU A C 1
1090
+ ATOM 653 O O . GLU A 1 85 ? 23.363 57.467 48.906 1.00 38.04 ? 85 GLU A O 1
1091
+ ATOM 654 C CB . GLU A 1 85 ? 20.144 56.620 48.475 1.00 38.06 ? 85 GLU A CB 1
1092
+ ATOM 655 C CG . GLU A 1 85 ? 20.591 55.749 49.652 1.00 38.64 ? 85 GLU A CG 1
1093
+ ATOM 656 C CD . GLU A 1 85 ? 19.483 54.836 50.170 1.00 38.35 ? 85 GLU A CD 1
1094
+ ATOM 657 N N . GLN A 1 86 ? 22.814 56.572 46.918 1.00 38.40 ? 86 GLN A N 1
1095
+ ATOM 658 C CA . GLN A 1 86 ? 24.129 56.016 46.657 1.00 39.34 ? 86 GLN A CA 1
1096
+ ATOM 659 C C . GLN A 1 86 ? 25.213 57.049 46.345 1.00 40.52 ? 86 GLN A C 1
1097
+ ATOM 660 O O . GLN A 1 86 ? 26.384 56.870 46.729 1.00 40.35 ? 86 GLN A O 1
1098
+ ATOM 661 C CB . GLN A 1 86 ? 24.029 55.046 45.497 1.00 38.69 ? 86 GLN A CB 1
1099
+ ATOM 662 C CG . GLN A 1 86 ? 23.192 53.842 45.842 1.00 38.23 ? 86 GLN A CG 1
1100
+ ATOM 663 C CD . GLN A 1 86 ? 22.806 53.019 44.626 1.00 37.93 ? 86 GLN A CD 1
1101
+ ATOM 664 O OE1 . GLN A 1 86 ? 22.943 53.458 43.482 1.00 37.24 ? 86 GLN A OE1 1
1102
+ ATOM 665 N NE2 . GLN A 1 86 ? 22.264 51.825 44.880 1.00 39.69 ? 86 GLN A NE2 1
1103
+ ATOM 666 N N . GLN A 1 87 ? 24.848 58.096 45.607 1.00 41.04 ? 87 GLN A N 1
1104
+ ATOM 667 C CA . GLN A 1 87 ? 25.787 59.170 45.316 1.00 41.64 ? 87 GLN A CA 1
1105
+ ATOM 668 C C . GLN A 1 87 ? 26.337 59.775 46.618 1.00 41.63 ? 87 GLN A C 1
1106
+ ATOM 669 O O . GLN A 1 87 ? 27.559 59.981 46.748 1.00 41.71 ? 87 GLN A O 1
1107
+ ATOM 670 C CB . GLN A 1 87 ? 25.132 60.243 44.443 1.00 41.62 ? 87 GLN A CB 1
1108
+ ATOM 671 C CG . GLN A 1 87 ? 25.209 59.974 42.933 1.00 41.79 ? 87 GLN A CG 1
1109
+ ATOM 672 C CD . GLN A 1 87 ? 24.474 61.041 42.117 1.00 42.97 ? 87 GLN A CD 1
1110
+ ATOM 673 O OE1 . GLN A 1 87 ? 23.415 61.548 42.531 1.00 45.90 ? 87 GLN A OE1 1
1111
+ ATOM 674 N NE2 . GLN A 1 87 ? 25.027 61.391 40.958 1.00 44.31 ? 87 GLN A NE2 1
1112
+ ATOM 675 N N . VAL A 1 88 ? 25.446 60.006 47.581 1.00 41.42 ? 88 VAL A N 1
1113
+ ATOM 676 C CA . VAL A 1 88 ? 25.785 60.570 48.887 1.00 41.92 ? 88 VAL A CA 1
1114
+ ATOM 677 C C . VAL A 1 88 ? 26.635 59.651 49.774 1.00 41.90 ? 88 VAL A C 1
1115
+ ATOM 678 O O . VAL A 1 88 ? 27.144 60.106 50.810 1.00 42.15 ? 88 VAL A O 1
1116
+ ATOM 679 C CB . VAL A 1 88 ? 24.494 60.910 49.721 1.00 41.79 ? 88 VAL A CB 1
1117
+ ATOM 680 C CG1 . VAL A 1 88 ? 24.841 61.412 51.142 1.00 43.04 ? 88 VAL A CG1 1
1118
+ ATOM 681 C CG2 . VAL A 1 88 ? 23.580 61.931 48.996 1.00 42.30 ? 88 VAL A CG2 1
1119
+ ATOM 682 N N . ASN A 1 89 ? 26.726 58.366 49.432 1.00 41.31 ? 89 ASN A N 1
1120
+ ATOM 683 C CA . ASN A 1 89 ? 27.513 57.395 50.219 1.00 41.09 ? 89 ASN A CA 1
1121
+ ATOM 684 C C . ASN A 1 89 ? 28.706 56.884 49.442 1.00 40.65 ? 89 ASN A C 1
1122
+ ATOM 685 O O . ASN A 1 89 ? 29.459 56.024 49.930 1.00 40.75 ? 89 ASN A O 1
1123
+ ATOM 686 C CB . ASN A 1 89 ? 26.660 56.183 50.621 1.00 41.38 ? 89 ASN A CB 1
1124
+ ATOM 687 C CG . ASN A 1 89 ? 25.340 56.567 51.272 1.00 43.00 ? 89 ASN A CG 1
1125
+ ATOM 688 O OD1 . ASN A 1 89 ? 25.216 57.616 51.898 1.00 44.83 ? 89 ASN A OD1 1
1126
+ ATOM 689 N ND2 . ASN A 1 89 ? 24.337 55.701 51.114 1.00 42.74 ? 89 ASN A ND2 1
1127
+ ATOM 690 N N . GLY A 1 90 ? 28.863 57.374 48.216 1.00 39.99 ? 90 GLY A N 1
1128
+ ATOM 691 C CA . GLY A 1 90 ? 29.966 56.960 47.351 1.00 39.41 ? 90 GLY A CA 1
1129
+ ATOM 692 C C . GLY A 1 90 ? 29.848 55.525 46.893 1.00 39.52 ? 90 GLY A C 1
1130
+ ATOM 693 O O . GLY A 1 90 ? 30.831 54.924 46.445 1.00 38.26 ? 90 GLY A O 1
1131
+ ATOM 694 N N . GLN A 1 91 ? 28.625 54.982 46.953 1.00 39.24 ? 91 GLN A N 1
1132
+ ATOM 695 C CA . GLN A 1 91 ? 28.387 53.626 46.497 1.00 39.33 ? 91 GLN A CA 1
1133
+ ATOM 696 C C . GLN A 1 91 ? 28.406 53.654 44.998 1.00 38.69 ? 91 GLN A C 1
1134
+ ATOM 697 O O . GLN A 1 91 ? 28.154 54.696 44.397 1.00 39.87 ? 91 GLN A O 1
1135
+ ATOM 698 C CB . GLN A 1 91 ? 27.061 53.092 47.000 1.00 39.44 ? 91 GLN A CB 1
1136
+ ATOM 699 C CG . GLN A 1 91 ? 26.980 53.009 48.491 1.00 40.68 ? 91 GLN A CG 1
1137
+ ATOM 700 C CD . GLN A 1 91 ? 25.694 52.355 48.952 1.00 42.46 ? 91 GLN A CD 1
1138
+ ATOM 701 O OE1 . GLN A 1 91 ? 24.877 52.965 49.635 1.00 44.95 ? 91 GLN A OE1 1
1139
+ ATOM 702 N NE2 . GLN A 1 91 ? 25.501 51.113 48.557 1.00 45.67 ? 91 GLN A NE2 1
1140
+ ATOM 703 N N . LEU A 1 92 ? 28.708 52.519 44.397 1.00 37.48 ? 92 LEU A N 1
1141
+ ATOM 704 C CA . LEU A 1 92 ? 28.753 52.409 42.974 1.00 36.49 ? 92 LEU A CA 1
1142
+ ATOM 705 C C . LEU A 1 92 ? 27.309 52.592 42.510 1.00 35.52 ? 92 LEU A C 1
1143
+ ATOM 706 O O . LEU A 1 92 ? 26.371 52.063 43.128 1.00 35.37 ? 92 LEU A O 1
1144
+ ATOM 707 C CB . LEU A 1 92 ? 29.291 51.050 42.543 1.00 37.19 ? 92 LEU A CB 1
1145
+ ATOM 708 N N . ILE A 1 93 ? 27.149 53.428 41.495 1.00 33.81 ? 93 ILE A N 1
1146
+ ATOM 709 C CA . ILE A 1 93 ? 25.876 53.629 40.828 1.00 32.11 ? 93 ILE A CA 1
1147
+ ATOM 710 C C . ILE A 1 93 ? 25.807 52.631 39.704 1.00 31.68 ? 93 ILE A C 1
1148
+ ATOM 711 O O . ILE A 1 93 ? 26.766 52.513 38.903 1.00 34.29 ? 93 ILE A O 1
1149
+ ATOM 712 C CB . ILE A 1 93 ? 25.757 55.062 40.236 1.00 31.84 ? 93 ILE A CB 1
1150
+ ATOM 713 C CG1 . ILE A 1 93 ? 25.903 56.095 41.333 1.00 32.10 ? 93 ILE A CG1 1
1151
+ ATOM 714 C CG2 . ILE A 1 93 ? 24.398 55.249 39.510 1.00 32.06 ? 93 ILE A CG2 1
1152
+ ATOM 715 C CD1 . ILE A 1 93 ? 25.224 55.726 42.575 1.00 30.67 ? 93 ILE A CD1 1
1153
+ ATOM 716 N N . GLU A 1 94 ? 24.713 51.883 39.647 1.00 28.39 ? 94 GLU A N 1
1154
+ ATOM 717 C CA . GLU A 1 94 ? 24.452 51.027 38.525 1.00 27.84 ? 94 GLU A CA 1
1155
+ ATOM 718 C C . GLU A 1 94 ? 23.418 51.663 37.534 1.00 25.61 ? 94 GLU A C 1
1156
+ ATOM 719 O O . GLU A 1 94 ? 22.574 52.464 37.921 1.00 23.77 ? 94 GLU A O 1
1157
+ ATOM 720 C CB . GLU A 1 94 ? 24.008 49.652 39.012 1.00 29.97 ? 94 GLU A CB 1
1158
+ ATOM 721 C CG . GLU A 1 94 ? 25.020 48.974 39.975 1.00 31.84 ? 94 GLU A CG 1
1159
+ ATOM 722 C CD . GLU A 1 94 ? 26.453 48.835 39.394 1.00 36.60 ? 94 GLU A CD 1
1160
+ ATOM 723 O OE1 . GLU A 1 94 ? 26.581 48.567 38.165 1.00 42.25 ? 94 GLU A OE1 1
1161
+ ATOM 724 O OE2 . GLU A 1 94 ? 27.456 48.981 40.169 1.00 38.68 ? 94 GLU A OE2 1
1162
+ ATOM 725 N N . PRO A 1 95 ? 23.489 51.265 36.260 1.00 23.87 ? 95 PRO A N 1
1163
+ ATOM 726 C CA . PRO A 1 95 ? 22.514 51.754 35.311 1.00 23.18 ? 95 PRO A CA 1
1164
+ ATOM 727 C C . PRO A 1 95 ? 21.107 51.234 35.632 1.00 21.78 ? 95 PRO A C 1
1165
+ ATOM 728 O O . PRO A 1 95 ? 20.931 50.234 36.368 1.00 21.65 ? 95 PRO A O 1
1166
+ ATOM 729 C CB . PRO A 1 95 ? 22.968 51.156 33.969 1.00 23.18 ? 95 PRO A CB 1
1167
+ ATOM 730 C CG . PRO A 1 95 ? 23.714 49.977 34.316 1.00 26.55 ? 95 PRO A CG 1
1168
+ ATOM 731 C CD . PRO A 1 95 ? 24.417 50.304 35.645 1.00 25.76 ? 95 PRO A CD 1
1169
+ ATOM 732 N N . LEU A 1 96 ? 20.146 51.879 35.008 1.00 21.08 ? 96 LEU A N 1
1170
+ ATOM 733 C CA . LEU A 1 96 ? 18.745 51.493 35.094 1.00 22.02 ? 96 LEU A CA 1
1171
+ ATOM 734 C C . LEU A 1 96 ? 18.521 50.362 34.110 1.00 21.70 ? 96 LEU A C 1
1172
+ ATOM 735 O O . LEU A 1 96 ? 18.581 50.543 32.900 1.00 21.17 ? 96 LEU A O 1
1173
+ ATOM 736 C CB . LEU A 1 96 ? 17.848 52.694 34.782 1.00 21.96 ? 96 LEU A CB 1
1174
+ ATOM 737 C CG . LEU A 1 96 ? 16.321 52.449 34.749 1.00 24.45 ? 96 LEU A CG 1
1175
+ ATOM 738 C CD1 . LEU A 1 96 ? 15.836 51.480 35.802 1.00 31.47 ? 96 LEU A CD1 1
1176
+ ATOM 739 C CD2 . LEU A 1 96 ? 15.612 53.876 34.844 1.00 24.53 ? 96 LEU A CD2 1
1177
+ ATOM 740 N N . GLN A 1 97 ? 18.267 49.174 34.639 1.00 20.32 ? 97 GLN A N 1
1178
+ ATOM 741 C CA . GLN A 1 97 ? 18.170 47.985 33.814 1.00 21.03 ? 97 GLN A CA 1
1179
+ ATOM 742 C C . GLN A 1 97 ? 16.716 47.692 33.455 1.00 19.75 ? 97 GLN A C 1
1180
+ ATOM 743 O O . GLN A 1 97 ? 15.832 47.660 34.341 1.00 19.59 ? 97 GLN A O 1
1181
+ ATOM 744 C CB . GLN A 1 97 ? 18.803 46.808 34.545 1.00 21.58 ? 97 GLN A CB 1
1182
+ ATOM 745 C CG . GLN A 1 97 ? 18.738 45.496 33.739 1.00 23.09 ? 97 GLN A CG 1
1183
+ ATOM 746 C CD . GLN A 1 97 ? 19.678 44.401 34.250 1.00 25.75 ? 97 GLN A CD 1
1184
+ ATOM 747 O OE1 . GLN A 1 97 ? 19.574 43.946 35.398 1.00 29.28 ? 97 GLN A OE1 1
1185
+ ATOM 748 N NE2 . GLN A 1 97 ? 20.619 44.001 33.398 1.00 26.45 ? 97 GLN A NE2 1
1186
+ ATOM 749 N N . ILE A 1 98 ? 16.482 47.505 32.157 1.00 20.04 ? 98 ILE A N 1
1187
+ ATOM 750 C CA . ILE A 1 98 ? 15.186 47.124 31.623 1.00 19.23 ? 98 ILE A CA 1
1188
+ ATOM 751 C C . ILE A 1 98 ? 15.230 45.854 30.774 1.00 20.53 ? 98 ILE A C 1
1189
+ ATOM 752 O O . ILE A 1 98 ? 16.289 45.530 30.174 1.00 21.01 ? 98 ILE A O 1
1190
+ ATOM 753 C CB . ILE A 1 98 ? 14.491 48.294 30.848 1.00 19.84 ? 98 ILE A CB 1
1191
+ ATOM 754 C CG1 . ILE A 1 98 ? 15.275 48.679 29.588 1.00 20.36 ? 98 ILE A CG1 1
1192
+ ATOM 755 C CG2 . ILE A 1 98 ? 14.348 49.520 31.716 1.00 19.12 ? 98 ILE A CG2 1
1193
+ ATOM 756 C CD1 . ILE A 1 98 ? 14.490 49.587 28.643 1.00 18.47 ? 98 ILE A CD1 1
1194
+ ATOM 757 N N . PHE A 1 99 ? 14.078 45.195 30.723 1.00 19.35 ? 99 PHE A N 1
1195
+ ATOM 758 C CA . PHE A 1 99 ? 13.895 43.907 30.098 1.00 20.85 ? 99 PHE A CA 1
1196
+ ATOM 759 C C . PHE A 1 99 ? 12.762 44.031 29.072 1.00 21.41 ? 99 PHE A C 1
1197
+ ATOM 760 O O . PHE A 1 99 ? 11.601 44.160 29.452 1.00 20.84 ? 99 PHE A O 1
1198
+ ATOM 761 C CB . PHE A 1 99 ? 13.553 42.865 31.157 1.00 21.99 ? 99 PHE A CB 1
1199
+ ATOM 762 C CG . PHE A 1 99 ? 14.565 42.767 32.268 1.00 22.98 ? 99 PHE A CG 1
1200
+ ATOM 763 C CD1 . PHE A 1 99 ? 14.480 43.616 33.379 1.00 23.96 ? 99 PHE A CD1 1
1201
+ ATOM 764 C CD2 . PHE A 1 99 ? 15.622 41.869 32.190 1.00 23.25 ? 99 PHE A CD2 1
1202
+ ATOM 765 C CE1 . PHE A 1 99 ? 15.429 43.560 34.393 1.00 26.32 ? 99 PHE A CE1 1
1203
+ ATOM 766 C CE2 . PHE A 1 99 ? 16.566 41.791 33.228 1.00 26.09 ? 99 PHE A CE2 1
1204
+ ATOM 767 C CZ . PHE A 1 99 ? 16.462 42.670 34.317 1.00 22.97 ? 99 PHE A CZ 1
1205
+ ATOM 768 N N . PRO A 1 100 ? 13.076 43.968 27.772 1.00 23.49 ? 100 PRO A N 1
1206
+ ATOM 769 C CA . PRO A 1 100 ? 11.973 44.057 26.786 1.00 23.85 ? 100 PRO A CA 1
1207
+ ATOM 770 C C . PRO A 1 100 ? 10.919 42.957 26.957 1.00 26.16 ? 100 PRO A C 1
1208
+ ATOM 771 O O . PRO A 1 100 ? 11.216 41.832 27.347 1.00 25.65 ? 100 PRO A O 1
1209
+ ATOM 772 C CB . PRO A 1 100 ? 12.684 43.922 25.419 1.00 24.51 ? 100 PRO A CB 1
1210
+ ATOM 773 C CG . PRO A 1 100 ? 14.079 44.331 25.700 1.00 25.62 ? 100 PRO A CG 1
1211
+ ATOM 774 C CD . PRO A 1 100 ? 14.373 43.830 27.104 1.00 23.22 ? 100 PRO A CD 1
1212
+ ATOM 775 N N . ARG A 1 101 ? 9.689 43.334 26.682 1.00 28.32 ? 101 ARG A N 1
1213
+ ATOM 776 C CA . ARG A 1 101 ? 8.538 42.507 26.908 1.00 30.71 ? 101 ARG A CA 1
1214
+ ATOM 777 C C . ARG A 1 101 ? 7.687 42.490 25.652 1.00 32.38 ? 101 ARG A C 1
1215
+ ATOM 778 O O . ARG A 1 101 ? 7.336 43.534 25.104 1.00 32.51 ? 101 ARG A O 1
1216
+ ATOM 779 C CB . ARG A 1 101 ? 7.745 43.122 28.058 1.00 31.74 ? 101 ARG A CB 1
1217
+ ATOM 780 C CG . ARG A 1 101 ? 6.892 42.152 28.801 1.00 35.56 ? 101 ARG A CG 1
1218
+ ATOM 781 C CD . ARG A 1 101 ? 5.531 42.725 29.068 1.00 38.71 ? 101 ARG A CD 1
1219
+ ATOM 782 N NE . ARG A 1 101 ? 4.594 41.636 29.279 1.00 40.55 ? 101 ARG A NE 1
1220
+ ATOM 783 C CZ . ARG A 1 101 ? 4.044 41.302 30.439 1.00 40.04 ? 101 ARG A CZ 1
1221
+ ATOM 784 N NH1 . ARG A 1 101 ? 4.311 41.973 31.545 1.00 37.41 ? 101 ARG A NH1 1
1222
+ ATOM 785 N NH2 . ARG A 1 101 ? 3.211 40.274 30.475 1.00 43.52 ? 101 ARG A NH2 1
1223
+ ATOM 786 N N . ALA A 1 102 ? 7.371 41.289 25.194 1.00 34.57 ? 102 ALA A N 1
1224
+ ATOM 787 C CA . ALA A 1 102 ? 6.351 41.093 24.168 1.00 35.82 ? 102 ALA A CA 1
1225
+ ATOM 788 C C . ALA A 1 102 ? 5.031 41.742 24.567 1.00 36.84 ? 102 ALA A C 1
1226
+ ATOM 789 O O . ALA A 1 102 ? 4.419 42.420 23.728 1.00 38.41 ? 102 ALA A O 1
1227
+ ATOM 790 C CB . ALA A 1 102 ? 6.160 39.576 23.889 1.00 35.86 ? 102 ALA A CB 1
1228
+ #
1229
+ loop_
1230
+ _pdbx_audit_revision_history.ordinal
1231
+ _pdbx_audit_revision_history.data_content_type
1232
+ _pdbx_audit_revision_history.major_revision
1233
+ _pdbx_audit_revision_history.minor_revision
1234
+ _pdbx_audit_revision_history.revision_date
1235
+ 1 'Structure model' 1 0 2006-11-28
1236
+ 2 'Structure model' 1 1 2008-05-01
1237
+ 3 'Structure model' 1 2 2011-07-13
1238
+ 4 'Structure model' 1 3 2023-08-30
1239
+ #
mmcifs/2NQ2_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/2NQ3_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/2NQL_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/2NQW_A.cif ADDED
@@ -0,0 +1,1062 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_2NQW_A
2
+ #
3
+ _pdbx_database_status.entry_id 2NQW_A
4
+ _pdbx_database_status.status_code .
5
+ _pdbx_database_status.status_code_sf ?
6
+ _pdbx_database_status.status_code_mr ?
7
+ _pdbx_database_status.status_code_cs ?
8
+ _pdbx_database_status.recvd_initial_deposition_date ?
9
+ _pdbx_database_status.status_code_nmr_data ?
10
+ _pdbx_database_status.deposit_site ?
11
+ _pdbx_database_status.process_site ?
12
+ _pdbx_database_status.SG_entry ?
13
+ _pdbx_database_status.pdb_format_compatible Y
14
+ _pdbx_database_status.methods_development_category ?
15
+ #
16
+ _entity_poly.entity_id 1
17
+ _entity_poly.type "polypeptide(L)"
18
+ _entity_poly.nstd_linkage no
19
+ _entity_poly.nstd_monomer no
20
+ _entity_poly.pdbx_seq_one_letter_code
21
+ ;LPFKVLGDGSYLFEGKTSLSDVRHYLDLPENAFGELGDEVDTLSGLFLEIKQELPHVGDTAVYEPFRFQVTQMDKRRIIE
22
+ IKIFPFE
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;LPFKVLGDGSYLFEGKTSLSDVRHYLDLPENAFGELGDEVDTLSGLFLEIKQELPHVGDTAVYEPFRFQVTQMDKRRIIE
26
+ IKIFPFE
27
+ ;
28
+ _entity_poly.pdbx_strand_id A
29
+ _entity_poly.pdbx_target_identifier ?
30
+ #
31
+ loop_
32
+ _entity_poly_seq.entity_id
33
+ _entity_poly_seq.num
34
+ _entity_poly_seq.mon_id
35
+ _entity_poly_seq.hetero
36
+ 1 1 LEU n
37
+ 1 2 PRO n
38
+ 1 3 PHE n
39
+ 1 4 LYS n
40
+ 1 5 VAL n
41
+ 1 6 LEU n
42
+ 1 7 GLY n
43
+ 1 8 ASP n
44
+ 1 9 GLY n
45
+ 1 10 SER n
46
+ 1 11 TYR n
47
+ 1 12 LEU n
48
+ 1 13 PHE n
49
+ 1 14 GLU n
50
+ 1 15 GLY n
51
+ 1 16 LYS n
52
+ 1 17 THR n
53
+ 1 18 SER n
54
+ 1 19 LEU n
55
+ 1 20 SER n
56
+ 1 21 ASP n
57
+ 1 22 VAL n
58
+ 1 23 ARG n
59
+ 1 24 HIS n
60
+ 1 25 TYR n
61
+ 1 26 LEU n
62
+ 1 27 ASP n
63
+ 1 28 LEU n
64
+ 1 29 PRO n
65
+ 1 30 GLU n
66
+ 1 31 ASN n
67
+ 1 32 ALA n
68
+ 1 33 PHE n
69
+ 1 34 GLY n
70
+ 1 35 GLU n
71
+ 1 36 LEU n
72
+ 1 37 GLY n
73
+ 1 38 ASP n
74
+ 1 39 GLU n
75
+ 1 40 VAL n
76
+ 1 41 ASP n
77
+ 1 42 THR n
78
+ 1 43 LEU n
79
+ 1 44 SER n
80
+ 1 45 GLY n
81
+ 1 46 LEU n
82
+ 1 47 PHE n
83
+ 1 48 LEU n
84
+ 1 49 GLU n
85
+ 1 50 ILE n
86
+ 1 51 LYS n
87
+ 1 52 GLN n
88
+ 1 53 GLU n
89
+ 1 54 LEU n
90
+ 1 55 PRO n
91
+ 1 56 HIS n
92
+ 1 57 VAL n
93
+ 1 58 GLY n
94
+ 1 59 ASP n
95
+ 1 60 THR n
96
+ 1 61 ALA n
97
+ 1 62 VAL n
98
+ 1 63 TYR n
99
+ 1 64 GLU n
100
+ 1 65 PRO n
101
+ 1 66 PHE n
102
+ 1 67 ARG n
103
+ 1 68 PHE n
104
+ 1 69 GLN n
105
+ 1 70 VAL n
106
+ 1 71 THR n
107
+ 1 72 GLN n
108
+ 1 73 MET n
109
+ 1 74 ASP n
110
+ 1 75 LYS n
111
+ 1 76 ARG n
112
+ 1 77 ARG n
113
+ 1 78 ILE n
114
+ 1 79 ILE n
115
+ 1 80 GLU n
116
+ 1 81 ILE n
117
+ 1 82 LYS n
118
+ 1 83 ILE n
119
+ 1 84 PHE n
120
+ 1 85 PRO n
121
+ 1 86 PHE n
122
+ 1 87 GLU n
123
+ #
124
+ _entity.id 1
125
+ _entity.type polymer
126
+ _entity.src_method man
127
+ _entity.pdbx_description ?
128
+ _entity.formula_weight 10018.345
129
+ _entity.pdbx_number_of_molecules 1
130
+ _entity.pdbx_ec ?
131
+ _entity.pdbx_mutation ?
132
+ _entity.pdbx_fragment ?
133
+ _entity.details ?
134
+ #
135
+ loop_
136
+ _pdbx_poly_seq_scheme.asym_id
137
+ _pdbx_poly_seq_scheme.entity_id
138
+ _pdbx_poly_seq_scheme.seq_id
139
+ _pdbx_poly_seq_scheme.mon_id
140
+ _pdbx_poly_seq_scheme.ndb_seq_num
141
+ _pdbx_poly_seq_scheme.pdb_seq_num
142
+ _pdbx_poly_seq_scheme.auth_seq_num
143
+ _pdbx_poly_seq_scheme.pdb_mon_id
144
+ _pdbx_poly_seq_scheme.auth_mon_id
145
+ _pdbx_poly_seq_scheme.pdb_strand_id
146
+ _pdbx_poly_seq_scheme.pdb_ins_code
147
+ _pdbx_poly_seq_scheme.hetero
148
+ A 1 1 LEU 1 1 1 LEU LEU A . n
149
+ A 1 2 PRO 2 2 2 PRO PRO A . n
150
+ A 1 3 PHE 3 3 3 PHE PHE A . n
151
+ A 1 4 LYS 4 4 4 LYS LYS A . n
152
+ A 1 5 VAL 5 5 5 VAL VAL A . n
153
+ A 1 6 LEU 6 6 6 LEU LEU A . n
154
+ A 1 7 GLY 7 7 7 GLY GLY A . n
155
+ A 1 8 ASP 8 8 8 ASP ASP A . n
156
+ A 1 9 GLY 9 9 9 GLY GLY A . n
157
+ A 1 10 SER 10 10 10 SER SER A . n
158
+ A 1 11 TYR 11 11 11 TYR TYR A . n
159
+ A 1 12 LEU 12 12 12 LEU LEU A . n
160
+ A 1 13 PHE 13 13 13 PHE PHE A . n
161
+ A 1 14 GLU 14 14 14 GLU GLU A . n
162
+ A 1 15 GLY 15 15 15 GLY GLY A . n
163
+ A 1 16 LYS 16 16 16 LYS LYS A . n
164
+ A 1 17 THR 17 17 17 THR THR A . n
165
+ A 1 18 SER 18 18 18 SER SER A . n
166
+ A 1 19 LEU 19 19 19 LEU LEU A . n
167
+ A 1 20 SER 20 20 20 SER SER A . n
168
+ A 1 21 ASP 21 21 21 ASP ASP A . n
169
+ A 1 22 VAL 22 22 22 VAL VAL A . n
170
+ A 1 23 ARG 23 23 23 ARG ARG A . n
171
+ A 1 24 HIS 24 24 24 HIS HIS A . n
172
+ A 1 25 TYR 25 25 25 TYR TYR A . n
173
+ A 1 26 LEU 26 26 26 LEU LEU A . n
174
+ A 1 27 ASP 27 27 27 ASP ASP A . n
175
+ A 1 28 LEU 28 28 28 LEU LEU A . n
176
+ A 1 29 PRO 29 29 29 PRO PRO A . n
177
+ A 1 30 GLU 30 30 30 GLU GLU A . n
178
+ A 1 31 ASN 31 31 31 ASN ASN A . n
179
+ A 1 32 ALA 32 32 32 ALA ALA A . n
180
+ A 1 33 PHE 33 33 33 PHE PHE A . n
181
+ A 1 34 GLY 34 34 34 GLY GLY A . n
182
+ A 1 35 GLU 35 35 35 GLU GLU A . n
183
+ A 1 36 LEU 36 36 36 LEU LEU A . n
184
+ A 1 37 GLY 37 37 37 GLY GLY A . n
185
+ A 1 38 ASP 38 38 38 ASP ASP A . n
186
+ A 1 39 GLU 39 39 39 GLU GLU A . n
187
+ A 1 40 VAL 40 40 40 VAL VAL A . n
188
+ A 1 41 ASP 41 41 41 ASP ASP A . n
189
+ A 1 42 THR 42 42 42 THR THR A . n
190
+ A 1 43 LEU 43 43 43 LEU LEU A . n
191
+ A 1 44 SER 44 44 44 SER SER A . n
192
+ A 1 45 GLY 45 45 45 GLY GLY A . n
193
+ A 1 46 LEU 46 46 46 LEU LEU A . n
194
+ A 1 47 PHE 47 47 47 PHE PHE A . n
195
+ A 1 48 LEU 48 48 48 LEU LEU A . n
196
+ A 1 49 GLU 49 49 49 GLU GLU A . n
197
+ A 1 50 ILE 50 50 50 ILE ILE A . n
198
+ A 1 51 LYS 51 51 51 LYS LYS A . n
199
+ A 1 52 GLN 52 52 52 GLN GLN A . n
200
+ A 1 53 GLU 53 53 53 GLU GLU A . n
201
+ A 1 54 LEU 54 54 54 LEU LEU A . n
202
+ A 1 55 PRO 55 55 55 PRO PRO A . n
203
+ A 1 56 HIS 56 56 56 HIS HIS A . n
204
+ A 1 57 VAL 57 57 57 VAL VAL A . n
205
+ A 1 58 GLY 58 58 58 GLY GLY A . n
206
+ A 1 59 ASP 59 59 59 ASP ASP A . n
207
+ A 1 60 THR 60 60 60 THR THR A . n
208
+ A 1 61 ALA 61 61 61 ALA ALA A . n
209
+ A 1 62 VAL 62 62 62 VAL VAL A . n
210
+ A 1 63 TYR 63 63 63 TYR TYR A . n
211
+ A 1 64 GLU 64 64 64 GLU GLU A . n
212
+ A 1 65 PRO 65 65 65 PRO PRO A . n
213
+ A 1 66 PHE 66 66 66 PHE PHE A . n
214
+ A 1 67 ARG 67 67 67 ARG ARG A . n
215
+ A 1 68 PHE 68 68 68 PHE PHE A . n
216
+ A 1 69 GLN 69 69 69 GLN GLN A . n
217
+ A 1 70 VAL 70 70 70 VAL VAL A . n
218
+ A 1 71 THR 71 71 71 THR THR A . n
219
+ A 1 72 GLN 72 72 72 GLN GLN A . n
220
+ A 1 73 MET 73 73 73 MET MET A . n
221
+ A 1 74 ASP 74 74 74 ASP ASP A . n
222
+ A 1 75 LYS 75 75 75 LYS LYS A . n
223
+ A 1 76 ARG 76 76 76 ARG ARG A . n
224
+ A 1 77 ARG 77 77 77 ARG ARG A . n
225
+ A 1 78 ILE 78 78 78 ILE ILE A . n
226
+ A 1 79 ILE 79 79 79 ILE ILE A . n
227
+ A 1 80 GLU 80 80 80 GLU GLU A . n
228
+ A 1 81 ILE 81 81 81 ILE ILE A . n
229
+ A 1 82 LYS 82 82 82 LYS LYS A . n
230
+ A 1 83 ILE 83 83 83 ILE ILE A . n
231
+ A 1 84 PHE 84 84 84 PHE PHE A . n
232
+ A 1 85 PRO 85 85 85 PRO PRO A . n
233
+ A 1 86 PHE 86 86 86 PHE PHE A . n
234
+ A 1 87 GLU 87 87 87 GLU GLU A . n
235
+ #
236
+ loop_
237
+ _chem_comp.id
238
+ _chem_comp.type
239
+ _chem_comp.mon_nstd_flag
240
+ _chem_comp.name
241
+ _chem_comp.pdbx_synonyms
242
+ _chem_comp.formula
243
+ _chem_comp.formula_weight
244
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
245
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
246
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
247
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
248
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
249
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
250
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
251
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
252
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
253
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
254
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
255
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
256
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
257
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
258
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
259
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
260
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
261
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
262
+ #
263
+ _struct_asym.id A
264
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
265
+ _struct_asym.pdbx_modified N
266
+ _struct_asym.entity_id 1
267
+ _struct_asym.details ?
268
+ #
269
+ _struct_mon_prot_cis.pdbx_id 1
270
+ _struct_mon_prot_cis.label_comp_id GLU
271
+ _struct_mon_prot_cis.label_seq_id 64
272
+ _struct_mon_prot_cis.label_asym_id A
273
+ _struct_mon_prot_cis.label_alt_id .
274
+ _struct_mon_prot_cis.pdbx_PDB_ins_code ?
275
+ _struct_mon_prot_cis.auth_comp_id GLU
276
+ _struct_mon_prot_cis.auth_seq_id 64
277
+ _struct_mon_prot_cis.auth_asym_id A
278
+ _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO
279
+ _struct_mon_prot_cis.pdbx_label_seq_id_2 65
280
+ _struct_mon_prot_cis.pdbx_label_asym_id_2 A
281
+ _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ?
282
+ _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO
283
+ _struct_mon_prot_cis.pdbx_auth_seq_id_2 65
284
+ _struct_mon_prot_cis.pdbx_auth_asym_id_2 A
285
+ _struct_mon_prot_cis.pdbx_PDB_model_num 1
286
+ _struct_mon_prot_cis.pdbx_omega_angle 6.41
287
+ #
288
+ _atom_sites.entry_id 2NQW_A
289
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
290
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
291
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
292
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
293
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
294
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
295
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
296
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
297
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
298
+ _atom_sites.fract_transf_vector[1] 0.00000
299
+ _atom_sites.fract_transf_vector[2] 0.00000
300
+ _atom_sites.fract_transf_vector[3] 0.00000
301
+ #
302
+ _pdbx_validate_torsion.id 1
303
+ _pdbx_validate_torsion.PDB_model_num 1
304
+ _pdbx_validate_torsion.auth_comp_id ASP
305
+ _pdbx_validate_torsion.auth_asym_id A
306
+ _pdbx_validate_torsion.auth_seq_id 74
307
+ _pdbx_validate_torsion.PDB_ins_code ?
308
+ _pdbx_validate_torsion.label_alt_id ?
309
+ _pdbx_validate_torsion.phi -90.65
310
+ _pdbx_validate_torsion.psi -154.33
311
+ #
312
+ loop_
313
+ _atom_type.symbol
314
+ C
315
+ N
316
+ O
317
+ S
318
+ #
319
+ _entry.id 2NQW_A
320
+ #
321
+ loop_
322
+ _atom_site.group_PDB
323
+ _atom_site.id
324
+ _atom_site.type_symbol
325
+ _atom_site.label_atom_id
326
+ _atom_site.label_alt_id
327
+ _atom_site.label_comp_id
328
+ _atom_site.label_asym_id
329
+ _atom_site.label_entity_id
330
+ _atom_site.label_seq_id
331
+ _atom_site.pdbx_PDB_ins_code
332
+ _atom_site.Cartn_x
333
+ _atom_site.Cartn_y
334
+ _atom_site.Cartn_z
335
+ _atom_site.occupancy
336
+ _atom_site.B_iso_or_equiv
337
+ _atom_site.pdbx_formal_charge
338
+ _atom_site.auth_seq_id
339
+ _atom_site.auth_comp_id
340
+ _atom_site.auth_asym_id
341
+ _atom_site.auth_atom_id
342
+ _atom_site.pdbx_PDB_model_num
343
+ ATOM 1 N N . LEU A 1 1 ? -5.429 26.145 3.635 1.00 23.43 ? 1 LEU A N 1
344
+ ATOM 2 C CA . LEU A 1 1 ? -4.338 25.112 3.646 1.00 21.04 ? 1 LEU A CA 1
345
+ ATOM 3 C C . LEU A 1 1 ? -3.206 25.566 4.523 1.00 20.08 ? 1 LEU A C 1
346
+ ATOM 4 O O . LEU A 1 1 ? -2.887 26.770 4.562 1.00 21.87 ? 1 LEU A O 1
347
+ ATOM 5 C CB . LEU A 1 1 ? -3.777 24.886 2.248 1.00 20.34 ? 1 LEU A CB 1
348
+ ATOM 6 C CG . LEU A 1 1 ? -4.764 24.373 1.191 1.00 22.33 ? 1 LEU A CG 1
349
+ ATOM 7 C CD1 . LEU A 1 1 ? -4.067 24.336 -0.146 1.00 24.83 ? 1 LEU A CD1 1
350
+ ATOM 8 C CD2 . LEU A 1 1 ? -5.269 22.992 1.573 1.00 25.03 ? 1 LEU A CD2 1
351
+ ATOM 9 N N . PRO A 1 2 ? -2.614 24.617 5.257 1.00 18.74 ? 2 PRO A N 1
352
+ ATOM 10 C CA . PRO A 1 2 ? -1.554 24.993 6.201 1.00 18.12 ? 2 PRO A CA 1
353
+ ATOM 11 C C . PRO A 1 2 ? -0.172 25.145 5.574 1.00 15.42 ? 2 PRO A C 1
354
+ ATOM 12 O O . PRO A 1 2 ? 0.829 25.232 6.351 1.00 15.79 ? 2 PRO A O 1
355
+ ATOM 13 C CB . PRO A 1 2 ? -1.538 23.809 7.168 1.00 18.91 ? 2 PRO A CB 1
356
+ ATOM 14 C CG . PRO A 1 2 ? -1.825 22.606 6.277 1.00 18.63 ? 2 PRO A CG 1
357
+ ATOM 15 C CD . PRO A 1 2 ? -2.895 23.161 5.294 1.00 18.28 ? 2 PRO A CD 1
358
+ ATOM 16 N N . PHE A 1 3 ? -0.104 25.156 4.222 1.00 16.02 ? 3 PHE A N 1
359
+ ATOM 17 C CA . PHE A 1 3 ? 1.143 25.242 3.525 1.00 14.12 ? 3 PHE A CA 1
360
+ ATOM 18 C C . PHE A 1 3 ? 1.126 26.017 2.216 1.00 13.46 ? 3 PHE A C 1
361
+ ATOM 19 O O . PHE A 1 3 ? 0.077 26.186 1.571 1.00 14.80 ? 3 PHE A O 1
362
+ ATOM 20 C CB . PHE A 1 3 ? 1.719 23.837 3.328 1.00 14.67 ? 3 PHE A CB 1
363
+ ATOM 21 C CG . PHE A 1 3 ? 1.131 23.068 2.160 1.00 12.44 ? 3 PHE A CG 1
364
+ ATOM 22 C CD1 . PHE A 1 3 ? 1.948 22.802 1.060 1.00 15.22 ? 3 PHE A CD1 1
365
+ ATOM 23 C CD2 . PHE A 1 3 ? -0.160 22.578 2.176 1.00 13.68 ? 3 PHE A CD2 1
366
+ ATOM 24 C CE1 . PHE A 1 3 ? 1.487 22.063 -0.018 1.00 17.31 ? 3 PHE A CE1 1
367
+ ATOM 25 C CE2 . PHE A 1 3 ? -0.645 21.864 1.077 1.00 16.01 ? 3 PHE A CE2 1
368
+ ATOM 26 C CZ . PHE A 1 3 ? 0.182 21.614 -0.016 1.00 16.19 ? 3 PHE A CZ 1
369
+ ATOM 27 N N . LYS A 1 4 ? 2.322 26.447 1.841 1.00 12.18 ? 4 LYS A N 1
370
+ ATOM 28 C CA . LYS A 1 4 ? 2.553 27.127 0.586 1.00 13.67 ? 4 LYS A CA 1
371
+ ATOM 29 C C . LYS A 1 4 ? 3.506 26.290 -0.274 1.00 11.98 ? 4 LYS A C 1
372
+ ATOM 30 O O . LYS A 1 4 ? 4.461 25.678 0.234 1.00 11.63 ? 4 LYS A O 1
373
+ ATOM 31 C CB . LYS A 1 4 ? 3.169 28.496 0.819 1.00 13.97 ? 4 LYS A CB 1
374
+ ATOM 32 C CG . LYS A 1 4 ? 2.310 29.476 1.634 1.00 19.23 ? 4 LYS A CG 1
375
+ ATOM 33 C CD . LYS A 1 4 ? 3.050 30.793 1.852 1.00 21.14 ? 4 LYS A CD 1
376
+ ATOM 34 C CE . LYS A 1 4 ? 2.523 31.572 3.078 1.00 29.27 ? 4 LYS A CE 1
377
+ ATOM 35 N NZ . LYS A 1 4 ? 1.048 31.508 3.257 1.00 33.94 ? 4 LYS A NZ 1
378
+ ATOM 36 N N . VAL A 1 5 ? 3.212 26.258 -1.573 1.00 12.43 ? 5 VAL A N 1
379
+ ATOM 37 C CA . VAL A 1 5 ? 4.025 25.581 -2.578 1.00 11.82 ? 5 VAL A CA 1
380
+ ATOM 38 C C . VAL A 1 5 ? 4.900 26.643 -3.207 1.00 12.74 ? 5 VAL A C 1
381
+ ATOM 39 O O . VAL A 1 5 ? 4.387 27.600 -3.823 1.00 14.67 ? 5 VAL A O 1
382
+ ATOM 40 C CB . VAL A 1 5 ? 3.096 24.967 -3.656 1.00 12.46 ? 5 VAL A CB 1
383
+ ATOM 41 C CG1 . VAL A 1 5 ? 3.899 24.437 -4.857 1.00 13.66 ? 5 VAL A CG1 1
384
+ ATOM 42 C CG2 . VAL A 1 5 ? 2.280 23.870 -3.010 1.00 13.82 ? 5 VAL A CG2 1
385
+ ATOM 43 N N . LEU A 1 6 ? 6.219 26.519 -3.045 0.50 12.54 ? 6 LEU A N 1
386
+ ATOM 44 C CA . LEU A 1 6 ? 7.114 27.524 -3.608 0.50 13.72 ? 6 LEU A CA 1
387
+ ATOM 45 C C . LEU A 1 6 ? 7.664 27.082 -4.929 0.50 13.85 ? 6 LEU A C 1
388
+ ATOM 46 O O . LEU A 1 6 ? 7.798 25.890 -5.205 0.50 13.50 ? 6 LEU A O 1
389
+ ATOM 47 C CB . LEU A 1 6 ? 8.271 27.847 -2.656 0.50 14.24 ? 6 LEU A CB 1
390
+ ATOM 48 C CG . LEU A 1 6 ? 7.835 28.746 -1.498 0.50 15.59 ? 6 LEU A CG 1
391
+ ATOM 49 C CD1 . LEU A 1 6 ? 7.036 27.941 -0.529 0.50 15.84 ? 6 LEU A CD1 1
392
+ ATOM 50 C CD2 . LEU A 1 6 ? 9.023 29.386 -0.813 0.50 18.42 ? 6 LEU A CD2 1
393
+ ATOM 51 N N . GLY A 1 7 ? 7.996 28.065 -5.757 1.00 14.80 ? 7 GLY A N 1
394
+ ATOM 52 C CA . GLY A 1 7 ? 8.490 27.778 -7.098 1.00 16.88 ? 7 GLY A CA 1
395
+ ATOM 53 C C . GLY A 1 7 ? 9.802 27.015 -7.124 1.00 18.02 ? 7 GLY A C 1
396
+ ATOM 54 O O . GLY A 1 7 ? 10.125 26.293 -8.086 1.00 21.44 ? 7 GLY A O 1
397
+ ATOM 55 N N . ASP A 1 8 ? 10.581 27.105 -6.049 1.00 16.85 ? 8 ASP A N 1
398
+ ATOM 56 C CA . ASP A 1 8 ? 11.820 26.369 -6.045 1.00 17.26 ? 8 ASP A CA 1
399
+ ATOM 57 C C . ASP A 1 8 ? 11.681 24.892 -5.617 1.00 17.25 ? 8 ASP A C 1
400
+ ATOM 58 O O . ASP A 1 8 ? 12.702 24.207 -5.418 1.00 18.36 ? 8 ASP A O 1
401
+ ATOM 59 C CB . ASP A 1 8 ? 12.857 27.101 -5.182 1.00 18.05 ? 8 ASP A CB 1
402
+ ATOM 60 C CG . ASP A 1 8 ? 12.523 27.073 -3.687 1.00 19.13 ? 8 ASP A CG 1
403
+ ATOM 61 O OD1 . ASP A 1 8 ? 11.405 26.650 -3.297 1.00 16.44 ? 8 ASP A OD1 1
404
+ ATOM 62 O OD2 . ASP A 1 8 ? 13.402 27.515 -2.887 1.00 21.45 ? 8 ASP A OD2 1
405
+ ATOM 63 N N . GLY A 1 9 ? 10.437 24.401 -5.458 1.00 14.38 ? 9 GLY A N 1
406
+ ATOM 64 C CA . GLY A 1 9 ? 10.237 23.026 -5.052 1.00 13.88 ? 9 GLY A CA 1
407
+ ATOM 65 C C . GLY A 1 9 ? 10.168 22.806 -3.537 1.00 12.69 ? 9 GLY A C 1
408
+ ATOM 66 O O . GLY A 1 9 ? 9.964 21.686 -3.083 1.00 12.71 ? 9 GLY A O 1
409
+ ATOM 67 N N . SER A 1 10 ? 10.321 23.879 -2.761 1.00 11.13 ? 10 SER A N 1
410
+ ATOM 68 C CA . SER A 1 10 ? 10.219 23.787 -1.297 1.00 9.82 ? 10 SER A CA 1
411
+ ATOM 69 C C . SER A 1 10 ? 8.805 24.129 -0.840 1.00 9.49 ? 10 SER A C 1
412
+ ATOM 70 O O . SER A 1 10 ? 7.917 24.476 -1.656 1.00 9.68 ? 10 SER A O 1
413
+ ATOM 71 C CB . SER A 1 10 ? 11.238 24.734 -0.645 1.00 11.10 ? 10 SER A CB 1
414
+ ATOM 72 O OG . SER A 1 10 ? 10.876 26.086 -0.820 1.00 13.16 ? 10 SER A OG 1
415
+ ATOM 73 N N . TYR A 1 11 ? 8.592 24.013 0.473 1.00 8.94 ? 11 TYR A N 1
416
+ ATOM 74 C CA . TYR A 1 11 ? 7.288 24.256 1.065 1.00 9.42 ? 11 TYR A CA 1
417
+ ATOM 75 C C . TYR A 1 11 ? 7.454 25.094 2.309 1.00 9.19 ? 11 TYR A C 1
418
+ ATOM 76 O O . TYR A 1 11 ? 8.449 24.984 3.006 1.00 11.21 ? 11 TYR A O 1
419
+ ATOM 77 C CB . TYR A 1 11 ? 6.608 22.913 1.455 1.00 9.35 ? 11 TYR A CB 1
420
+ ATOM 78 C CG . TYR A 1 11 ? 6.534 21.974 0.285 1.00 9.24 ? 11 TYR A CG 1
421
+ ATOM 79 C CD1 . TYR A 1 11 ? 5.569 22.155 -0.710 1.00 8.76 ? 11 TYR A CD1 1
422
+ ATOM 80 C CD2 . TYR A 1 11 ? 7.479 20.975 0.129 1.00 9.12 ? 11 TYR A CD2 1
423
+ ATOM 81 C CE1 . TYR A 1 11 ? 5.520 21.327 -1.823 1.00 9.78 ? 11 TYR A CE1 1
424
+ ATOM 82 C CE2 . TYR A 1 11 ? 7.472 20.152 -0.991 1.00 10.35 ? 11 TYR A CE2 1
425
+ ATOM 83 C CZ . TYR A 1 11 ? 6.488 20.341 -1.960 1.00 10.05 ? 11 TYR A CZ 1
426
+ ATOM 84 O OH . TYR A 1 11 ? 6.432 19.520 -3.078 1.00 12.29 ? 11 TYR A OH 1
427
+ ATOM 85 N N . LEU A 1 12 ? 6.439 25.875 2.622 1.00 9.90 ? 12 LEU A N 1
428
+ ATOM 86 C CA . LEU A 1 12 ? 6.360 26.537 3.944 1.00 10.20 ? 12 LEU A CA 1
429
+ ATOM 87 C C . LEU A 1 12 ? 5.132 25.990 4.653 1.00 9.96 ? 12 LEU A C 1
430
+ ATOM 88 O O . LEU A 1 12 ? 4.024 26.024 4.079 1.00 12.00 ? 12 LEU A O 1
431
+ ATOM 89 C CB . LEU A 1 12 ? 6.234 28.046 3.806 1.00 10.53 ? 12 LEU A CB 1
432
+ ATOM 90 C CG . LEU A 1 12 ? 7.413 28.734 3.169 1.00 11.65 ? 12 LEU A CG 1
433
+ ATOM 91 C CD1 . LEU A 1 12 ? 7.097 30.221 2.926 1.00 13.46 ? 12 LEU A CD1 1
434
+ ATOM 92 C CD2 . LEU A 1 12 ? 8.625 28.630 4.118 1.00 13.93 ? 12 LEU A CD2 1
435
+ ATOM 93 N N . PHE A 1 13 ? 5.324 25.470 5.875 1.00 9.77 ? 13 PHE A N 1
436
+ ATOM 94 C CA . PHE A 1 13 ? 4.209 24.931 6.673 1.00 9.66 ? 13 PHE A CA 1
437
+ ATOM 95 C C . PHE A 1 13 ? 4.069 25.700 7.965 1.00 9.52 ? 13 PHE A C 1
438
+ ATOM 96 O O . PHE A 1 13 ? 5.083 26.070 8.594 1.00 10.19 ? 13 PHE A O 1
439
+ ATOM 97 C CB . PHE A 1 13 ? 4.486 23.462 7.043 1.00 10.28 ? 13 PHE A CB 1
440
+ ATOM 98 C CG . PHE A 1 13 ? 4.001 22.476 6.018 1.00 9.70 ? 13 PHE A CG 1
441
+ ATOM 99 C CD1 . PHE A 1 13 ? 2.757 21.863 6.170 1.00 10.68 ? 13 PHE A CD1 1
442
+ ATOM 100 C CD2 . PHE A 1 13 ? 4.753 22.193 4.886 1.00 10.63 ? 13 PHE A CD2 1
443
+ ATOM 101 C CE1 . PHE A 1 13 ? 2.273 20.952 5.192 1.00 11.68 ? 13 PHE A CE1 1
444
+ ATOM 102 C CE2 . PHE A 1 13 ? 4.283 21.302 3.914 1.00 10.55 ? 13 PHE A CE2 1
445
+ ATOM 103 C CZ . PHE A 1 13 ? 3.039 20.676 4.084 1.00 10.65 ? 13 PHE A CZ 1
446
+ ATOM 104 N N . GLU A 1 14 ? 2.835 25.829 8.434 1.00 10.09 ? 14 GLU A N 1
447
+ ATOM 105 C CA . GLU A 1 14 ? 2.609 26.265 9.807 1.00 11.42 ? 14 GLU A CA 1
448
+ ATOM 106 C C . GLU A 1 14 ? 3.284 25.271 10.759 1.00 10.59 ? 14 GLU A C 1
449
+ ATOM 107 O O . GLU A 1 14 ? 3.185 24.048 10.570 1.00 10.88 ? 14 GLU A O 1
450
+ ATOM 108 C CB . GLU A 1 14 ? 1.101 26.339 10.096 1.00 12.47 ? 14 GLU A CB 1
451
+ ATOM 109 C CG . GLU A 1 14 ? 0.397 27.388 9.266 1.00 14.70 ? 14 GLU A CG 1
452
+ ATOM 110 C CD . GLU A 1 14 ? -1.121 27.404 9.456 1.00 18.07 ? 14 GLU A CD 1
453
+ ATOM 111 O OE1 . GLU A 1 14 ? -1.692 26.464 10.040 1.00 21.87 ? 14 GLU A OE1 1
454
+ ATOM 112 O OE2 . GLU A 1 14 ? -1.748 28.364 8.952 1.00 25.53 ? 14 GLU A OE2 1
455
+ ATOM 113 N N . GLY A 1 15 ? 3.919 25.778 11.822 1.00 10.99 ? 15 GLY A N 1
456
+ ATOM 114 C CA . GLY A 1 15 ? 4.620 24.870 12.742 1.00 12.17 ? 15 GLY A CA 1
457
+ ATOM 115 C C . GLY A 1 15 ? 3.692 23.890 13.445 1.00 11.58 ? 15 GLY A C 1
458
+ ATOM 116 O O . GLY A 1 15 ? 4.083 22.755 13.744 1.00 12.62 ? 15 GLY A O 1
459
+ ATOM 117 N N . LYS A 1 16 ? 2.454 24.310 13.698 1.00 11.29 ? 16 LYS A N 1
460
+ ATOM 118 C CA . LYS A 1 16 ? 1.512 23.455 14.404 0.50 11.87 ? 16 LYS A CA 1
461
+ ATOM 119 C C . LYS A 1 16 ? 0.928 22.350 13.546 1.00 11.05 ? 16 LYS A C 1
462
+ ATOM 120 O O . LYS A 1 16 ? 0.147 21.517 14.053 1.00 12.33 ? 16 LYS A O 1
463
+ ATOM 121 C CB . LYS A 1 16 ? 0.349 24.291 14.952 0.50 12.01 ? 16 LYS A CB 1
464
+ ATOM 122 C CG . LYS A 1 16 ? -0.650 24.704 13.859 0.50 13.60 ? 16 LYS A CG 1
465
+ ATOM 123 C CD . LYS A 1 16 ? -1.870 25.447 14.420 0.50 14.56 ? 16 LYS A CD 1
466
+ ATOM 124 C CE . LYS A 1 16 ? -2.793 25.845 13.292 0.50 17.60 ? 16 LYS A CE 1
467
+ ATOM 125 N NZ . LYS A 1 16 ? -3.286 24.673 12.533 0.50 23.32 ? 16 LYS A NZ 1
468
+ ATOM 126 N N . THR A 1 17 ? 1.287 22.302 12.249 1.00 10.57 ? 17 THR A N 1
469
+ ATOM 127 C CA . THR A 1 17 ? 0.664 21.275 11.383 1.00 10.02 ? 17 THR A CA 1
470
+ ATOM 128 C C . THR A 1 17 ? 0.996 19.877 11.905 1.00 9.44 ? 17 THR A C 1
471
+ ATOM 129 O O . THR A 1 17 ? 2.175 19.578 12.196 1.00 10.30 ? 17 THR A O 1
472
+ ATOM 130 C CB . THR A 1 17 ? 1.187 21.402 9.951 1.00 10.00 ? 17 THR A CB 1
473
+ ATOM 131 O OG1 . THR A 1 17 ? 1.029 22.758 9.492 1.00 11.38 ? 17 THR A OG1 1
474
+ ATOM 132 C CG2 . THR A 1 17 ? 0.409 20.452 9.006 1.00 11.21 ? 17 THR A CG2 1
475
+ ATOM 133 N N . SER A 1 18 ? -0.003 18.996 12.018 1.00 9.55 ? 18 SER A N 1
476
+ ATOM 134 C CA . SER A 1 18 ? 0.322 17.655 12.475 1.00 9.41 ? 18 SER A CA 1
477
+ ATOM 135 C C . SER A 1 18 ? 1.227 16.946 11.448 1.00 9.19 ? 18 SER A C 1
478
+ ATOM 136 O O . SER A 1 18 ? 1.150 17.196 10.239 1.00 9.17 ? 18 SER A O 1
479
+ ATOM 137 C CB . SER A 1 18 ? -0.953 16.858 12.692 1.00 10.24 ? 18 SER A CB 1
480
+ ATOM 138 O OG . SER A 1 18 ? -1.602 16.606 11.454 1.00 11.61 ? 18 SER A OG 1
481
+ ATOM 139 N N . LEU A 1 19 ? 2.051 16.022 11.916 1.00 9.43 ? 19 LEU A N 1
482
+ ATOM 140 C CA . LEU A 1 19 ? 2.821 15.207 10.980 1.00 8.94 ? 19 LEU A CA 1
483
+ ATOM 141 C C . LEU A 1 19 ? 1.912 14.421 10.050 1.00 9.02 ? 19 LEU A C 1
484
+ ATOM 142 O O . LEU A 1 19 ? 2.237 14.247 8.879 1.00 9.53 ? 19 LEU A O 1
485
+ ATOM 143 C CB . LEU A 1 19 ? 3.789 14.260 11.713 1.00 9.71 ? 19 LEU A CB 1
486
+ ATOM 144 C CG . LEU A 1 19 ? 4.902 14.985 12.510 1.00 9.33 ? 19 LEU A CG 1
487
+ ATOM 145 C CD1 . LEU A 1 19 ? 5.849 13.919 13.050 1.00 10.93 ? 19 LEU A CD1 1
488
+ ATOM 146 C CD2 . LEU A 1 19 ? 5.651 15.921 11.590 1.00 10.85 ? 19 LEU A CD2 1
489
+ ATOM 147 N N . SER A 1 20 ? 0.768 13.954 10.567 0.50 9.26 ? 20 SER A N 1
490
+ ATOM 148 C CA . SER A 1 20 ? -0.268 13.322 9.716 0.50 9.61 ? 20 SER A CA 1
491
+ ATOM 149 C C . SER A 1 20 ? -0.603 14.207 8.534 0.50 8.96 ? 20 SER A C 1
492
+ ATOM 150 O O . SER A 1 20 ? -0.630 13.752 7.384 0.50 9.35 ? 20 SER A O 1
493
+ ATOM 151 C CB . SER A 1 20 ? -1.548 13.072 10.534 0.50 9.32 ? 20 SER A CB 1
494
+ ATOM 152 O OG . SER A 1 20 ? -1.399 11.852 11.246 0.50 11.64 ? 20 SER A OG 1
495
+ ATOM 153 N N . ASP A 1 21 ? -0.898 15.471 8.820 1.00 9.13 ? 21 ASP A N 1
496
+ ATOM 154 C CA . ASP A 1 21 ? -1.307 16.394 7.773 1.00 9.76 ? 21 ASP A CA 1
497
+ ATOM 155 C C . ASP A 1 21 ? -0.151 16.734 6.843 1.00 8.83 ? 21 ASP A C 1
498
+ ATOM 156 O O . ASP A 1 21 ? -0.369 16.921 5.650 1.00 9.20 ? 21 ASP A O 1
499
+ ATOM 157 C CB . ASP A 1 21 ? -1.945 17.651 8.338 1.00 10.22 ? 21 ASP A CB 1
500
+ ATOM 158 C CG . ASP A 1 21 ? -3.363 17.393 8.855 1.00 11.80 ? 21 ASP A CG 1
501
+ ATOM 159 O OD1 . ASP A 1 21 ? -3.907 16.267 8.655 1.00 13.03 ? 21 ASP A OD1 1
502
+ ATOM 160 O OD2 . ASP A 1 21 ? -3.909 18.316 9.480 1.00 13.24 ? 21 ASP A OD2 1
503
+ ATOM 161 N N . VAL A 1 22 ? 1.079 16.823 7.357 1.00 8.43 ? 22 VAL A N 1
504
+ ATOM 162 C CA . VAL A 1 22 ? 2.215 17.009 6.452 1.00 8.05 ? 22 VAL A CA 1
505
+ ATOM 163 C C . VAL A 1 22 ? 2.307 15.822 5.475 1.00 7.96 ? 22 VAL A C 1
506
+ ATOM 164 O O . VAL A 1 22 ? 2.498 16.019 4.259 1.00 8.91 ? 22 VAL A O 1
507
+ ATOM 165 C CB . VAL A 1 22 ? 3.559 17.176 7.219 1.00 8.74 ? 22 VAL A CB 1
508
+ ATOM 166 C CG1 . VAL A 1 22 ? 4.730 17.285 6.253 1.00 9.86 ? 22 VAL A CG1 1
509
+ ATOM 167 C CG2 . VAL A 1 22 ? 3.524 18.444 8.127 1.00 9.56 ? 22 VAL A CG2 1
510
+ ATOM 168 N N . ARG A 1 23 ? 2.198 14.593 5.982 1.00 8.90 ? 23 ARG A N 1
511
+ ATOM 169 C CA . ARG A 1 23 ? 2.271 13.439 5.099 1.00 9.21 ? 23 ARG A CA 1
512
+ ATOM 170 C C . ARG A 1 23 ? 1.127 13.442 4.110 1.00 8.75 ? 23 ARG A C 1
513
+ ATOM 171 O O . ARG A 1 23 ? 1.304 13.077 2.944 1.00 9.24 ? 23 ARG A O 1
514
+ ATOM 172 C CB . ARG A 1 23 ? 2.261 12.131 5.903 1.00 9.36 ? 23 ARG A CB 1
515
+ ATOM 173 C CG . ARG A 1 23 ? 3.513 11.941 6.778 1.00 9.54 ? 23 ARG A CG 1
516
+ ATOM 174 C CD . ARG A 1 23 ? 3.613 10.510 7.304 1.00 11.41 ? 23 ARG A CD 1
517
+ ATOM 175 N NE . ARG A 1 23 ? 2.484 10.204 8.172 1.00 12.99 ? 23 ARG A NE 1
518
+ ATOM 176 C CZ . ARG A 1 23 ? 2.427 10.372 9.491 1.00 14.11 ? 23 ARG A CZ 1
519
+ ATOM 177 N NH1 . ARG A 1 23 ? 3.494 10.762 10.193 1.00 12.51 ? 23 ARG A NH1 1
520
+ ATOM 178 N NH2 . ARG A 1 23 ? 1.279 10.113 10.139 1.00 16.63 ? 23 ARG A NH2 1
521
+ ATOM 179 N N . HIS A 1 24 ? -0.056 13.877 4.559 1.00 8.54 ? 24 HIS A N 1
522
+ ATOM 180 C CA . HIS A 1 24 ? -1.230 13.983 3.663 1.00 8.33 ? 24 HIS A CA 1
523
+ ATOM 181 C C . HIS A 1 24 ? -0.950 14.960 2.519 1.00 9.03 ? 24 HIS A C 1
524
+ ATOM 182 O O . HIS A 1 24 ? -1.111 14.614 1.337 1.00 10.18 ? 24 HIS A O 1
525
+ ATOM 183 C CB . HIS A 1 24 ? -2.438 14.465 4.472 1.00 8.97 ? 24 HIS A CB 1
526
+ ATOM 184 C CG . HIS A 1 24 ? -3.623 14.830 3.648 1.00 9.76 ? 24 HIS A CG 1
527
+ ATOM 185 N ND1 . HIS A 1 24 ? -4.465 13.879 3.121 1.00 11.92 ? 24 HIS A ND1 1
528
+ ATOM 186 C CD2 . HIS A 1 24 ? -4.063 16.030 3.204 1.00 10.77 ? 24 HIS A CD2 1
529
+ ATOM 187 C CE1 . HIS A 1 24 ? -5.403 14.489 2.406 1.00 12.10 ? 24 HIS A CE1 1
530
+ ATOM 188 N NE2 . HIS A 1 24 ? -5.184 15.797 2.440 1.00 12.20 ? 24 HIS A NE2 1
531
+ ATOM 189 N N . TYR A 1 25 ? -0.515 16.179 2.853 1.00 8.73 ? 25 TYR A N 1
532
+ ATOM 190 C CA . TYR A 1 25 ? -0.369 17.210 1.825 1.00 9.29 ? 25 TYR A CA 1
533
+ ATOM 191 C C . TYR A 1 25 ? 0.857 16.978 0.942 1.00 9.85 ? 25 TYR A C 1
534
+ ATOM 192 O O . TYR A 1 25 ? 0.853 17.432 -0.212 1.00 10.72 ? 25 TYR A O 1
535
+ ATOM 193 C CB . TYR A 1 25 ? -0.309 18.612 2.468 1.00 10.34 ? 25 TYR A CB 1
536
+ ATOM 194 C CG . TYR A 1 25 ? -1.692 19.052 2.919 1.00 10.62 ? 25 TYR A CG 1
537
+ ATOM 195 C CD1 . TYR A 1 25 ? -2.735 19.212 1.993 1.00 13.12 ? 25 TYR A CD1 1
538
+ ATOM 196 C CD2 . TYR A 1 25 ? -1.973 19.278 4.269 1.00 12.90 ? 25 TYR A CD2 1
539
+ ATOM 197 C CE1 . TYR A 1 25 ? -4.014 19.601 2.383 1.00 14.00 ? 25 TYR A CE1 1
540
+ ATOM 198 C CE2 . TYR A 1 25 ? -3.279 19.670 4.670 1.00 13.71 ? 25 TYR A CE2 1
541
+ ATOM 199 C CZ . TYR A 1 25 ? -4.264 19.825 3.710 1.00 13.54 ? 25 TYR A CZ 1
542
+ ATOM 200 O OH . TYR A 1 25 ? -5.521 20.225 4.091 1.00 16.86 ? 25 TYR A OH 1
543
+ ATOM 201 N N . LEU A 1 26 ? 1.895 16.295 1.445 1.00 8.86 ? 26 LEU A N 1
544
+ ATOM 202 C CA . LEU A 1 26 ? 3.092 16.066 0.634 1.00 8.52 ? 26 LEU A CA 1
545
+ ATOM 203 C C . LEU A 1 26 ? 3.120 14.667 0.041 1.00 8.15 ? 26 LEU A C 1
546
+ ATOM 204 O O . LEU A 1 26 ? 4.128 14.279 -0.547 1.00 9.38 ? 26 LEU A O 1
547
+ ATOM 205 C CB . LEU A 1 26 ? 4.372 16.355 1.427 1.00 8.73 ? 26 LEU A CB 1
548
+ ATOM 206 C CG . LEU A 1 26 ? 4.495 17.807 1.892 1.00 9.23 ? 26 LEU A CG 1
549
+ ATOM 207 C CD1 . LEU A 1 26 ? 5.861 17.985 2.565 1.00 10.59 ? 26 LEU A CD1 1
550
+ ATOM 208 C CD2 . LEU A 1 26 ? 4.296 18.794 0.743 1.00 11.51 ? 26 LEU A CD2 1
551
+ ATOM 209 N N . ASP A 1 27 ? 2.024 13.913 0.165 1.00 8.65 ? 27 ASP A N 1
552
+ ATOM 210 C CA . ASP A 1 27 ? 1.946 12.585 -0.432 1.00 8.74 ? 27 ASP A CA 1
553
+ ATOM 211 C C . ASP A 1 27 ? 3.113 11.756 0.022 1.00 10.73 ? 27 ASP A C 1
554
+ ATOM 212 O O . ASP A 1 27 ? 3.689 10.955 -0.785 1.00 9.88 ? 27 ASP A O 1
555
+ ATOM 213 C CB . ASP A 1 27 ? 1.928 12.653 -1.966 1.00 9.57 ? 27 ASP A CB 1
556
+ ATOM 214 C CG . ASP A 1 27 ? 0.782 13.454 -2.500 1.00 10.12 ? 27 ASP A CG 1
557
+ ATOM 215 O OD1 . ASP A 1 27 ? -0.331 13.364 -1.942 1.00 12.52 ? 27 ASP A OD1 1
558
+ ATOM 216 O OD2 . ASP A 1 27 ? 0.964 14.189 -3.511 1.00 13.14 ? 27 ASP A OD2 1
559
+ ATOM 217 N N . LEU A 1 28 ? 3.306 11.672 1.340 1.00 9.04 ? 28 LEU A N 1
560
+ ATOM 218 C CA . LEU A 1 28 ? 4.416 10.889 1.920 1.00 9.38 ? 28 LEU A CA 1
561
+ ATOM 219 C C . LEU A 1 28 ? 3.952 9.549 2.455 1.00 10.63 ? 28 LEU A C 1
562
+ ATOM 220 O O . LEU A 1 28 ? 2.814 9.430 2.914 1.00 11.77 ? 28 LEU A O 1
563
+ ATOM 221 C CB . LEU A 1 28 ? 5.062 11.655 3.073 1.00 9.13 ? 28 LEU A CB 1
564
+ ATOM 222 C CG . LEU A 1 28 ? 5.655 13.012 2.667 1.00 9.75 ? 28 LEU A CG 1
565
+ ATOM 223 C CD1 . LEU A 1 28 ? 6.201 13.727 3.902 1.00 10.20 ? 28 LEU A CD1 1
566
+ ATOM 224 C CD2 . LEU A 1 28 ? 6.738 12.840 1.631 1.00 12.51 ? 28 LEU A CD2 1
567
+ ATOM 225 N N . PRO A 1 29 ? 4.847 8.560 2.452 1.00 11.74 ? 29 PRO A N 1
568
+ ATOM 226 C CA . PRO A 1 29 ? 4.519 7.278 3.101 1.00 12.56 ? 29 PRO A CA 1
569
+ ATOM 227 C C . PRO A 1 29 ? 4.431 7.429 4.632 1.00 11.64 ? 29 PRO A C 1
570
+ ATOM 228 O O . PRO A 1 29 ? 4.978 8.373 5.226 1.00 11.23 ? 29 PRO A O 1
571
+ ATOM 229 C CB . PRO A 1 29 ? 5.693 6.393 2.713 1.00 14.45 ? 29 PRO A CB 1
572
+ ATOM 230 C CG . PRO A 1 29 ? 6.837 7.340 2.598 1.00 15.48 ? 29 PRO A CG 1
573
+ ATOM 231 C CD . PRO A 1 29 ? 6.219 8.584 1.927 1.00 12.98 ? 29 PRO A CD 1
574
+ ATOM 232 N N . GLU A 1 30 ? 3.808 6.450 5.272 1.00 12.58 ? 30 GLU A N 1
575
+ ATOM 233 C CA . GLU A 1 30 ? 3.537 6.534 6.697 1.00 13.25 ? 30 GLU A CA 1
576
+ ATOM 234 C C . GLU A 1 30 ? 4.784 6.641 7.543 1.00 12.37 ? 30 GLU A C 1
577
+ ATOM 235 O O . GLU A 1 30 ? 4.738 7.232 8.619 1.00 13.51 ? 30 GLU A O 1
578
+ ATOM 236 C CB . GLU A 1 30 ? 2.750 5.295 7.139 1.00 16.65 ? 30 GLU A CB 1
579
+ ATOM 237 C CG . GLU A 1 30 ? 1.313 5.376 6.837 1.00 21.86 ? 30 GLU A CG 1
580
+ ATOM 238 C CD . GLU A 1 30 ? 0.595 4.178 7.430 1.00 28.75 ? 30 GLU A CD 1
581
+ ATOM 239 O OE1 . GLU A 1 30 ? 0.970 3.027 7.086 1.00 32.09 ? 30 GLU A OE1 1
582
+ ATOM 240 O OE2 . GLU A 1 30 ? -0.334 4.402 8.241 1.00 34.18 ? 30 GLU A OE2 1
583
+ ATOM 241 N N . ASN A 1 31 ? 5.880 6.048 7.065 1.00 11.62 ? 31 ASN A N 1
584
+ ATOM 242 C CA . ASN A 1 31 ? 7.122 6.041 7.831 1.00 11.33 ? 31 ASN A CA 1
585
+ ATOM 243 C C . ASN A 1 31 ? 8.062 7.167 7.472 1.00 9.67 ? 31 ASN A C 1
586
+ ATOM 244 O O . ASN A 1 31 ? 9.230 7.124 7.847 1.00 10.51 ? 31 ASN A O 1
587
+ ATOM 245 C CB . ASN A 1 31 ? 7.844 4.694 7.676 1.00 13.22 ? 31 ASN A CB 1
588
+ ATOM 246 C CG . ASN A 1 31 ? 8.426 4.493 6.311 1.00 15.71 ? 31 ASN A CG 1
589
+ ATOM 247 O OD1 . ASN A 1 31 ? 8.038 5.141 5.340 1.00 16.45 ? 31 ASN A OD1 1
590
+ ATOM 248 N ND2 . ASN A 1 31 ? 9.423 3.595 6.222 1.00 19.79 ? 31 ASN A ND2 1
591
+ ATOM 249 N N . ALA A 1 32 ? 7.590 8.212 6.799 1.00 9.75 ? 32 ALA A N 1
592
+ ATOM 250 C CA . ALA A 1 32 ? 8.474 9.266 6.322 1.00 9.37 ? 32 ALA A CA 1
593
+ ATOM 251 C C . ALA A 1 32 ? 9.319 9.873 7.451 1.00 8.80 ? 32 ALA A C 1
594
+ ATOM 252 O O . ALA A 1 32 ? 10.480 10.231 7.237 1.00 9.73 ? 32 ALA A O 1
595
+ ATOM 253 C CB . ALA A 1 32 ? 7.658 10.380 5.639 1.00 10.78 ? 32 ALA A CB 1
596
+ ATOM 254 N N . PHE A 1 33 ? 8.715 10.048 8.639 1.00 8.66 ? 33 PHE A N 1
597
+ ATOM 255 C CA . PHE A 1 33 ? 9.423 10.703 9.754 1.00 8.97 ? 33 PHE A CA 1
598
+ ATOM 256 C C . PHE A 1 33 ? 9.870 9.701 10.814 1.00 8.92 ? 33 PHE A C 1
599
+ ATOM 257 O O . PHE A 1 33 ? 10.363 10.103 11.883 1.00 9.63 ? 33 PHE A O 1
600
+ ATOM 258 C CB . PHE A 1 33 ? 8.553 11.838 10.331 1.00 9.30 ? 33 PHE A CB 1
601
+ ATOM 259 C CG . PHE A 1 33 ? 8.126 12.835 9.281 1.00 8.59 ? 33 PHE A CG 1
602
+ ATOM 260 C CD1 . PHE A 1 33 ? 9.076 13.490 8.498 1.00 9.91 ? 33 PHE A CD1 1
603
+ ATOM 261 C CD2 . PHE A 1 33 ? 6.780 13.099 9.081 1.00 9.87 ? 33 PHE A CD2 1
604
+ ATOM 262 C CE1 . PHE A 1 33 ? 8.676 14.414 7.519 1.00 9.41 ? 33 PHE A CE1 1
605
+ ATOM 263 C CE2 . PHE A 1 33 ? 6.373 14.019 8.108 1.00 10.42 ? 33 PHE A CE2 1
606
+ ATOM 264 C CZ . PHE A 1 33 ? 7.307 14.672 7.321 1.00 9.27 ? 33 PHE A CZ 1
607
+ ATOM 265 N N . GLY A 1 34 ? 9.712 8.422 10.483 1.00 8.55 ? 34 GLY A N 1
608
+ ATOM 266 C CA . GLY A 1 34 ? 10.382 7.359 11.247 1.00 9.99 ? 34 GLY A CA 1
609
+ ATOM 267 C C . GLY A 1 34 ? 10.002 7.245 12.705 1.00 9.77 ? 34 GLY A C 1
610
+ ATOM 268 O O . GLY A 1 34 ? 8.979 7.764 13.166 1.00 10.45 ? 34 GLY A O 1
611
+ ATOM 269 N N . GLU A 1 35 ? 10.840 6.556 13.477 0.50 10.16 ? 35 GLU A N 1
612
+ ATOM 270 C CA . GLU A 1 35 ? 10.546 6.355 14.889 0.50 11.22 ? 35 GLU A CA 1
613
+ ATOM 271 C C . GLU A 1 35 ? 10.544 7.670 15.643 0.50 12.12 ? 35 GLU A C 1
614
+ ATOM 272 O O . GLU A 1 35 ? 9.752 7.853 16.568 0.50 13.29 ? 35 GLU A O 1
615
+ ATOM 273 C CB . GLU A 1 35 ? 11.560 5.397 15.529 0.50 11.70 ? 35 GLU A CB 1
616
+ ATOM 274 C CG . GLU A 1 35 ? 11.418 3.990 15.053 0.50 12.23 ? 35 GLU A CG 1
617
+ ATOM 275 C CD . GLU A 1 35 ? 12.330 3.031 15.807 0.50 12.92 ? 35 GLU A CD 1
618
+ ATOM 276 O OE1 . GLU A 1 35 ? 12.162 2.827 17.037 0.50 14.71 ? 35 GLU A OE1 1
619
+ ATOM 277 O OE2 . GLU A 1 35 ? 13.233 2.469 15.181 0.50 10.66 ? 35 GLU A OE2 1
620
+ ATOM 278 N N . LEU A 1 36 ? 11.434 8.588 15.285 1.00 12.60 ? 36 LEU A N 1
621
+ ATOM 279 C CA . LEU A 1 36 ? 11.442 9.855 15.947 0.50 13.20 ? 36 LEU A CA 1
622
+ ATOM 280 C C . LEU A 1 36 ? 10.078 10.565 15.775 1.00 13.13 ? 36 LEU A C 1
623
+ ATOM 281 O O . LEU A 1 36 ? 9.496 11.141 16.725 1.00 13.83 ? 36 LEU A O 1
624
+ ATOM 282 C CB . LEU A 1 36 ? 12.582 10.672 15.350 0.50 15.31 ? 36 LEU A CB 1
625
+ ATOM 283 C CG . LEU A 1 36 ? 13.027 11.799 16.249 0.50 14.53 ? 36 LEU A CG 1
626
+ ATOM 284 C CD1 . LEU A 1 36 ? 13.662 11.284 17.569 0.50 15.36 ? 36 LEU A CD1 1
627
+ ATOM 285 C CD2 . LEU A 1 36 ? 13.988 12.676 15.516 0.50 17.13 ? 36 LEU A CD2 1
628
+ ATOM 286 N N . GLY A 1 37 ? 9.576 10.557 14.544 1.00 12.31 ? 37 GLY A N 1
629
+ ATOM 287 C CA . GLY A 1 37 ? 8.296 11.212 14.283 1.00 13.10 ? 37 GLY A CA 1
630
+ ATOM 288 C C . GLY A 1 37 ? 7.166 10.573 15.052 1.00 12.62 ? 37 GLY A C 1
631
+ ATOM 289 O O . GLY A 1 37 ? 6.177 11.229 15.373 1.00 14.41 ? 37 GLY A O 1
632
+ ATOM 290 N N . ASP A 1 38 ? 7.281 9.281 15.359 1.00 12.82 ? 38 ASP A N 1
633
+ ATOM 291 C CA . ASP A 1 38 ? 6.227 8.594 16.095 1.00 14.14 ? 38 ASP A CA 1
634
+ ATOM 292 C C . ASP A 1 38 ? 6.124 9.112 17.531 1.00 14.35 ? 38 ASP A C 1
635
+ ATOM 293 O O . ASP A 1 38 ? 5.150 8.847 18.209 1.00 16.53 ? 38 ASP A O 1
636
+ ATOM 294 C CB . ASP A 1 38 ? 6.523 7.092 16.146 1.00 16.10 ? 38 ASP A CB 1
637
+ ATOM 295 C CG . ASP A 1 38 ? 6.285 6.388 14.834 1.00 20.16 ? 38 ASP A CG 1
638
+ ATOM 296 O OD1 . ASP A 1 38 ? 5.636 6.949 13.921 1.00 22.22 ? 38 ASP A OD1 1
639
+ ATOM 297 O OD2 . ASP A 1 38 ? 6.754 5.213 14.730 1.00 27.97 ? 38 ASP A OD2 1
640
+ ATOM 298 N N . GLU A 1 39 ? 7.133 9.827 18.006 1.00 13.40 ? 39 GLU A N 1
641
+ ATOM 299 C CA . GLU A 1 39 ? 7.156 10.332 19.379 1.00 15.37 ? 39 GLU A CA 1
642
+ ATOM 300 C C . GLU A 1 39 ? 6.475 11.675 19.540 1.00 13.58 ? 39 GLU A C 1
643
+ ATOM 301 O O . GLU A 1 39 ? 6.334 12.161 20.679 1.00 14.77 ? 39 GLU A O 1
644
+ ATOM 302 C CB . GLU A 1 39 ? 8.628 10.489 19.820 1.00 16.25 ? 39 GLU A CB 1
645
+ ATOM 303 C CG . GLU A 1 39 ? 9.353 9.122 19.868 1.00 21.46 ? 39 GLU A CG 1
646
+ ATOM 304 C CD . GLU A 1 39 ? 10.881 9.143 19.948 1.00 24.20 ? 39 GLU A CD 1
647
+ ATOM 305 O OE1 . GLU A 1 39 ? 11.483 10.235 20.017 1.00 30.24 ? 39 GLU A OE1 1
648
+ ATOM 306 O OE2 . GLU A 1 39 ? 11.465 8.026 19.908 1.00 34.41 ? 39 GLU A OE2 1
649
+ ATOM 307 N N . VAL A 1 40 ? 6.058 12.287 18.427 1.00 12.23 ? 40 VAL A N 1
650
+ ATOM 308 C CA . VAL A 1 40 ? 5.527 13.650 18.479 1.00 12.18 ? 40 VAL A CA 1
651
+ ATOM 309 C C . VAL A 1 40 ? 4.318 13.780 17.574 1.00 12.03 ? 40 VAL A C 1
652
+ ATOM 310 O O . VAL A 1 40 ? 4.019 12.877 16.778 1.00 14.21 ? 40 VAL A O 1
653
+ ATOM 311 C CB . VAL A 1 40 ? 6.622 14.682 18.045 1.00 12.11 ? 40 VAL A CB 1
654
+ ATOM 312 C CG1 . VAL A 1 40 ? 7.807 14.662 18.999 1.00 15.35 ? 40 VAL A CG1 1
655
+ ATOM 313 C CG2 . VAL A 1 40 ? 7.040 14.402 16.584 1.00 14.04 ? 40 VAL A CG2 1
656
+ ATOM 314 N N . ASP A 1 41 ? 3.639 14.918 17.671 0.50 12.01 ? 41 ASP A N 1
657
+ ATOM 315 C CA . ASP A 1 41 ? 2.402 15.136 16.929 0.50 12.19 ? 41 ASP A CA 1
658
+ ATOM 316 C C . ASP A 1 41 ? 2.481 16.145 15.790 0.50 11.11 ? 41 ASP A C 1
659
+ ATOM 317 O O . ASP A 1 41 ? 1.650 16.106 14.881 0.50 11.85 ? 41 ASP A O 1
660
+ ATOM 318 C CB . ASP A 1 41 ? 1.261 15.597 17.866 0.50 13.05 ? 41 ASP A CB 1
661
+ ATOM 319 C CG . ASP A 1 41 ? -0.060 15.684 17.146 0.50 16.25 ? 41 ASP A CG 1
662
+ ATOM 320 O OD1 . ASP A 1 41 ? -0.408 14.681 16.491 0.50 19.64 ? 41 ASP A OD1 1
663
+ ATOM 321 O OD2 . ASP A 1 41 ? -0.720 16.746 17.203 0.50 20.59 ? 41 ASP A OD2 1
664
+ ATOM 322 N N . THR A 1 42 ? 3.424 17.076 15.866 1.00 10.02 ? 42 THR A N 1
665
+ ATOM 323 C CA . THR A 1 42 ? 3.443 18.187 14.914 1.00 9.68 ? 42 THR A CA 1
666
+ ATOM 324 C C . THR A 1 42 ? 4.807 18.387 14.272 1.00 9.50 ? 42 THR A C 1
667
+ ATOM 325 O O . THR A 1 42 ? 5.802 17.839 14.744 1.00 9.32 ? 42 THR A O 1
668
+ ATOM 326 C CB . THR A 1 42 ? 3.036 19.522 15.579 1.00 10.32 ? 42 THR A CB 1
669
+ ATOM 327 O OG1 . THR A 1 42 ? 4.073 19.862 16.503 1.00 11.69 ? 42 THR A OG1 1
670
+ ATOM 328 C CG2 . THR A 1 42 ? 1.659 19.415 16.305 1.00 11.84 ? 42 THR A CG2 1
671
+ ATOM 329 N N . LEU A 1 43 ? 4.831 19.194 13.219 1.00 9.25 ? 43 LEU A N 1
672
+ ATOM 330 C CA . LEU A 1 43 ? 6.073 19.513 12.548 1.00 8.79 ? 43 LEU A CA 1
673
+ ATOM 331 C C . LEU A 1 43 ? 7.061 20.244 13.465 1.00 8.69 ? 43 LEU A C 1
674
+ ATOM 332 O O . LEU A 1 43 ? 8.254 19.918 13.506 1.00 8.88 ? 43 LEU A O 1
675
+ ATOM 333 C CB . LEU A 1 43 ? 5.741 20.311 11.270 1.00 9.70 ? 43 LEU A CB 1
676
+ ATOM 334 C CG . LEU A 1 43 ? 6.926 20.573 10.345 1.00 9.55 ? 43 LEU A CG 1
677
+ ATOM 335 C CD1 . LEU A 1 43 ? 7.574 19.316 9.805 1.00 11.72 ? 43 LEU A CD1 1
678
+ ATOM 336 C CD2 . LEU A 1 43 ? 6.433 21.461 9.210 1.00 10.82 ? 43 LEU A CD2 1
679
+ ATOM 337 N N . SER A 1 44 ? 6.570 21.219 14.229 1.00 8.84 ? 44 SER A N 1
680
+ ATOM 338 C CA . SER A 1 44 ? 7.460 21.871 15.178 0.50 9.16 ? 44 SER A CA 1
681
+ ATOM 339 C C . SER A 1 44 ? 7.902 20.863 16.248 1.00 9.12 ? 44 SER A C 1
682
+ ATOM 340 O O . SER A 1 44 ? 9.063 20.909 16.669 1.00 9.54 ? 44 SER A O 1
683
+ ATOM 341 C CB . SER A 1 44 ? 6.790 23.107 15.777 0.50 9.94 ? 44 SER A CB 1
684
+ ATOM 342 O OG . SER A 1 44 ? 5.640 22.722 16.493 0.50 10.03 ? 44 SER A OG 1
685
+ ATOM 343 N N . GLY A 1 45 ? 7.032 19.927 16.639 1.00 8.70 ? 45 GLY A N 1
686
+ ATOM 344 C CA . GLY A 1 45 ? 7.449 18.891 17.591 1.00 9.31 ? 45 GLY A CA 1
687
+ ATOM 345 C C . GLY A 1 45 ? 8.574 18.040 17.035 1.00 8.45 ? 45 GLY A C 1
688
+ ATOM 346 O O . GLY A 1 45 ? 9.512 17.690 17.774 1.00 9.37 ? 45 GLY A O 1
689
+ ATOM 347 N N . LEU A 1 46 ? 8.503 17.675 15.748 1.00 8.82 ? 46 LEU A N 1
690
+ ATOM 348 C CA . LEU A 1 46 ? 9.582 16.890 15.153 1.00 8.79 ? 46 LEU A CA 1
691
+ ATOM 349 C C . LEU A 1 46 ? 10.887 17.701 15.198 1.00 8.58 ? 46 LEU A C 1
692
+ ATOM 350 O O . LEU A 1 46 ? 11.951 17.159 15.506 1.00 9.07 ? 46 LEU A O 1
693
+ ATOM 351 C CB . LEU A 1 46 ? 9.235 16.529 13.711 1.00 9.31 ? 46 LEU A CB 1
694
+ ATOM 352 C CG . LEU A 1 46 ? 10.308 15.730 12.964 1.00 10.48 ? 46 LEU A CG 1
695
+ ATOM 353 C CD1 . LEU A 1 46 ? 10.606 14.387 13.648 1.00 13.10 ? 46 LEU A CD1 1
696
+ ATOM 354 C CD2 . LEU A 1 46 ? 9.827 15.509 11.533 1.00 11.45 ? 46 LEU A CD2 1
697
+ ATOM 355 N N . PHE A 1 47 ? 10.816 19.003 14.900 1.00 8.66 ? 47 PHE A N 1
698
+ ATOM 356 C CA . PHE A 1 47 ? 12.008 19.840 14.965 1.00 8.20 ? 47 PHE A CA 1
699
+ ATOM 357 C C . PHE A 1 47 ? 12.606 19.799 16.360 1.00 8.30 ? 47 PHE A C 1
700
+ ATOM 358 O O . PHE A 1 47 ? 13.834 19.600 16.515 1.00 8.51 ? 47 PHE A O 1
701
+ ATOM 359 C CB . PHE A 1 47 ? 11.620 21.277 14.551 1.00 8.22 ? 47 PHE A CB 1
702
+ ATOM 360 C CG . PHE A 1 47 ? 12.825 22.107 14.167 1.00 7.70 ? 47 PHE A CG 1
703
+ ATOM 361 C CD1 . PHE A 1 47 ? 13.168 22.232 12.820 1.00 9.36 ? 47 PHE A CD1 1
704
+ ATOM 362 C CD2 . PHE A 1 47 ? 13.612 22.762 15.128 1.00 8.86 ? 47 PHE A CD2 1
705
+ ATOM 363 C CE1 . PHE A 1 47 ? 14.290 22.956 12.424 1.00 8.98 ? 47 PHE A CE1 1
706
+ ATOM 364 C CE2 . PHE A 1 47 ? 14.738 23.466 14.746 1.00 8.62 ? 47 PHE A CE2 1
707
+ ATOM 365 C CZ . PHE A 1 47 ? 15.071 23.558 13.402 1.00 8.96 ? 47 PHE A CZ 1
708
+ ATOM 366 N N . LEU A 1 48 ? 11.752 19.963 17.388 1.00 8.41 ? 48 LEU A N 1
709
+ ATOM 367 C CA . LEU A 1 48 ? 12.251 19.932 18.771 1.00 8.75 ? 48 LEU A CA 1
710
+ ATOM 368 C C . LEU A 1 48 ? 12.820 18.564 19.136 1.00 9.59 ? 48 LEU A C 1
711
+ ATOM 369 O O . LEU A 1 48 ? 13.772 18.457 19.916 1.00 10.05 ? 48 LEU A O 1
712
+ ATOM 370 C CB . LEU A 1 48 ? 11.121 20.268 19.758 1.00 8.94 ? 48 LEU A CB 1
713
+ ATOM 371 C CG . LEU A 1 48 ? 10.522 21.662 19.625 1.00 9.93 ? 48 LEU A CG 1
714
+ ATOM 372 C CD1 . LEU A 1 48 ? 9.395 21.854 20.618 1.00 10.85 ? 48 LEU A CD1 1
715
+ ATOM 373 C CD2 . LEU A 1 48 ? 11.601 22.749 19.825 1.00 11.56 ? 48 LEU A CD2 1
716
+ ATOM 374 N N . GLU A 1 49 ? 12.213 17.501 18.616 1.00 9.97 ? 49 GLU A N 1
717
+ ATOM 375 C CA . GLU A 1 49 ? 12.675 16.138 18.930 1.00 10.85 ? 49 GLU A CA 1
718
+ ATOM 376 C C . GLU A 1 49 ? 14.051 15.887 18.322 1.00 10.95 ? 49 GLU A C 1
719
+ ATOM 377 O O . GLU A 1 49 ? 14.880 15.168 18.918 1.00 12.13 ? 49 GLU A O 1
720
+ ATOM 378 C CB . GLU A 1 49 ? 11.680 15.123 18.355 1.00 12.11 ? 49 GLU A CB 1
721
+ ATOM 379 C CG . GLU A 1 49 ? 11.863 13.706 18.865 1.00 16.59 ? 49 GLU A CG 1
722
+ ATOM 380 C CD . GLU A 1 49 ? 11.409 13.473 20.280 1.00 21.51 ? 49 GLU A CD 1
723
+ ATOM 381 O OE1 . GLU A 1 49 ? 10.719 14.298 20.875 1.00 22.78 ? 49 GLU A OE1 1
724
+ ATOM 382 O OE2 . GLU A 1 49 ? 11.691 12.367 20.799 1.00 29.45 ? 49 GLU A OE2 1
725
+ ATOM 383 N N . ILE A 1 50 ? 14.299 16.460 17.136 1.00 9.52 ? 50 ILE A N 1
726
+ ATOM 384 C CA . ILE A 1 50 ? 15.622 16.326 16.526 1.00 10.02 ? 50 ILE A CA 1
727
+ ATOM 385 C C . ILE A 1 50 ? 16.680 17.161 17.259 1.00 10.62 ? 50 ILE A C 1
728
+ ATOM 386 O O . ILE A 1 50 ? 17.798 16.687 17.527 1.00 11.87 ? 50 ILE A O 1
729
+ ATOM 387 C CB . ILE A 1 50 ? 15.592 16.709 15.023 1.00 9.76 ? 50 ILE A CB 1
730
+ ATOM 388 C CG1 . ILE A 1 50 ? 14.685 15.748 14.227 1.00 10.84 ? 50 ILE A CG1 1
731
+ ATOM 389 C CG2 . ILE A 1 50 ? 16.979 16.755 14.415 1.00 10.76 ? 50 ILE A CG2 1
732
+ ATOM 390 C CD1 . ILE A 1 50 ? 14.288 16.314 12.853 1.00 11.11 ? 50 ILE A CD1 1
733
+ ATOM 391 N N . LYS A 1 51 ? 16.337 18.411 17.572 1.00 9.42 ? 51 LYS A N 1
734
+ ATOM 392 C CA . LYS A 1 51 ? 17.351 19.367 18.036 1.00 9.54 ? 51 LYS A CA 1
735
+ ATOM 393 C C . LYS A 1 51 ? 17.522 19.407 19.554 1.00 10.83 ? 51 LYS A C 1
736
+ ATOM 394 O O . LYS A 1 51 ? 18.589 19.766 20.030 1.00 11.78 ? 51 LYS A O 1
737
+ ATOM 395 C CB . LYS A 1 51 ? 17.066 20.768 17.483 1.00 10.27 ? 51 LYS A CB 1
738
+ ATOM 396 C CG . LYS A 1 51 ? 17.135 20.818 15.959 1.00 10.32 ? 51 LYS A CG 1
739
+ ATOM 397 C CD . LYS A 1 51 ? 18.555 20.580 15.394 1.00 11.22 ? 51 LYS A CD 1
740
+ ATOM 398 C CE . LYS A 1 51 ? 19.567 21.670 15.733 1.00 13.33 ? 51 LYS A CE 1
741
+ ATOM 399 N NZ . LYS A 1 51 ? 19.142 22.992 15.187 1.00 13.05 ? 51 LYS A NZ 1
742
+ ATOM 400 N N . GLN A 1 52 ? 16.466 19.070 20.281 1.00 10.36 ? 52 GLN A N 1
743
+ ATOM 401 C CA . GLN A 1 52 ? 16.535 18.942 21.738 0.50 11.16 ? 52 GLN A CA 1
744
+ ATOM 402 C C . GLN A 1 52 ? 17.067 20.201 22.418 1.00 11.41 ? 52 GLN A C 1
745
+ ATOM 403 O O . GLN A 1 52 ? 17.880 20.139 23.354 1.00 12.63 ? 52 GLN A O 1
746
+ ATOM 404 C CB . GLN A 1 52 ? 17.334 17.697 22.093 0.50 11.91 ? 52 GLN A CB 1
747
+ ATOM 405 C CG . GLN A 1 52 ? 16.523 16.442 21.741 0.50 14.49 ? 52 GLN A CG 1
748
+ ATOM 406 C CD . GLN A 1 52 ? 15.429 16.210 22.762 0.50 15.14 ? 52 GLN A CD 1
749
+ ATOM 407 O OE1 . GLN A 1 52 ? 15.728 15.896 23.888 0.50 13.41 ? 52 GLN A OE1 1
750
+ ATOM 408 N NE2 . GLN A 1 52 ? 14.140 16.464 22.382 0.50 17.65 ? 52 GLN A NE2 1
751
+ ATOM 409 N N . GLU A 1 53 ? 16.574 21.344 21.957 1.00 9.63 ? 53 GLU A N 1
752
+ ATOM 410 C CA . GLU A 1 53 ? 16.934 22.637 22.529 1.00 9.73 ? 53 GLU A CA 1
753
+ ATOM 411 C C . GLU A 1 53 ? 15.847 23.636 22.184 1.00 9.28 ? 53 GLU A C 1
754
+ ATOM 412 O O . GLU A 1 53 ? 15.044 23.390 21.265 1.00 9.53 ? 53 GLU A O 1
755
+ ATOM 413 C CB . GLU A 1 53 ? 18.285 23.103 21.976 1.00 10.41 ? 53 GLU A CB 1
756
+ ATOM 414 C CG . GLU A 1 53 ? 18.241 23.400 20.484 1.00 10.34 ? 53 GLU A CG 1
757
+ ATOM 415 C CD . GLU A 1 53 ? 19.600 23.657 19.862 1.00 11.35 ? 53 GLU A CD 1
758
+ ATOM 416 O OE1 . GLU A 1 53 ? 20.620 23.759 20.590 1.00 16.52 ? 53 GLU A OE1 1
759
+ ATOM 417 O OE2 . GLU A 1 53 ? 19.625 23.778 18.625 1.00 12.39 ? 53 GLU A OE2 1
760
+ ATOM 418 N N . LEU A 1 54 ? 15.812 24.761 22.888 1.00 9.24 ? 54 LEU A N 1
761
+ ATOM 419 C CA . LEU A 1 54 ? 14.833 25.787 22.525 1.00 9.27 ? 54 LEU A CA 1
762
+ ATOM 420 C C . LEU A 1 54 ? 15.194 26.331 21.140 1.00 8.61 ? 54 LEU A C 1
763
+ ATOM 421 O O . LEU A 1 54 ? 16.379 26.551 20.853 1.00 8.90 ? 54 LEU A O 1
764
+ ATOM 422 C CB . LEU A 1 54 ? 14.824 26.918 23.565 1.00 10.21 ? 54 LEU A CB 1
765
+ ATOM 423 C CG . LEU A 1 54 ? 13.921 26.614 24.772 1.00 11.07 ? 54 LEU A CG 1
766
+ ATOM 424 C CD1 . LEU A 1 54 ? 14.529 25.566 25.699 1.00 12.61 ? 54 LEU A CD1 1
767
+ ATOM 425 C CD2 . LEU A 1 54 ? 13.674 27.918 25.527 1.00 13.15 ? 54 LEU A CD2 1
768
+ ATOM 426 N N . PRO A 1 55 ? 14.196 26.558 20.292 1.00 8.26 ? 55 PRO A N 1
769
+ ATOM 427 C CA . PRO A 1 55 ? 14.457 26.967 18.906 1.00 8.36 ? 55 PRO A CA 1
770
+ ATOM 428 C C . PRO A 1 55 ? 14.674 28.465 18.712 1.00 8.41 ? 55 PRO A C 1
771
+ ATOM 429 O O . PRO A 1 55 ? 14.208 29.309 19.527 1.00 8.47 ? 55 PRO A O 1
772
+ ATOM 430 C CB . PRO A 1 55 ? 13.184 26.552 18.164 1.00 9.23 ? 55 PRO A CB 1
773
+ ATOM 431 C CG . PRO A 1 55 ? 12.119 26.719 19.241 1.00 9.48 ? 55 PRO A CG 1
774
+ ATOM 432 C CD . PRO A 1 55 ? 12.775 26.229 20.531 1.00 8.43 ? 55 PRO A CD 1
775
+ ATOM 433 N N . HIS A 1 56 ? 15.364 28.789 17.613 1.00 7.97 ? 56 HIS A N 1
776
+ ATOM 434 C CA . HIS A 1 56 ? 15.491 30.156 17.136 1.00 7.87 ? 56 HIS A CA 1
777
+ ATOM 435 C C . HIS A 1 56 ? 15.165 30.188 15.652 1.00 8.76 ? 56 HIS A C 1
778
+ ATOM 436 O O . HIS A 1 56 ? 15.370 29.204 14.919 1.00 9.04 ? 56 HIS A O 1
779
+ ATOM 437 C CB . HIS A 1 56 ? 16.943 30.660 17.281 1.00 8.59 ? 56 HIS A CB 1
780
+ ATOM 438 C CG . HIS A 1 56 ? 17.347 30.982 18.691 1.00 8.12 ? 56 HIS A CG 1
781
+ ATOM 439 N ND1 . HIS A 1 56 ? 17.838 30.026 19.561 1.00 8.79 ? 56 HIS A ND1 1
782
+ ATOM 440 C CD2 . HIS A 1 56 ? 17.360 32.159 19.376 1.00 9.20 ? 56 HIS A CD2 1
783
+ ATOM 441 C CE1 . HIS A 1 56 ? 18.122 30.600 20.733 1.00 9.16 ? 56 HIS A CE1 1
784
+ ATOM 442 N NE2 . HIS A 1 56 ? 17.838 31.895 20.644 1.00 9.03 ? 56 HIS A NE2 1
785
+ ATOM 443 N N . VAL A 1 57 ? 14.751 31.366 15.187 1.00 8.21 ? 57 VAL A N 1
786
+ ATOM 444 C CA . VAL A 1 57 ? 14.673 31.587 13.738 1.00 9.25 ? 57 VAL A CA 1
787
+ ATOM 445 C C . VAL A 1 57 ? 16.051 31.330 13.117 1.00 8.22 ? 57 VAL A C 1
788
+ ATOM 446 O O . VAL A 1 57 ? 17.114 31.724 13.643 1.00 9.67 ? 57 VAL A O 1
789
+ ATOM 447 C CB . VAL A 1 57 ? 14.212 33.039 13.452 1.00 10.17 ? 57 VAL A CB 1
790
+ ATOM 448 C CG1 . VAL A 1 57 ? 14.269 33.330 11.929 1.00 12.43 ? 57 VAL A CG1 1
791
+ ATOM 449 C CG2 . VAL A 1 57 ? 12.787 33.235 13.971 1.00 12.33 ? 57 VAL A CG2 1
792
+ ATOM 450 N N . GLY A 1 58 ? 16.037 30.625 11.970 1.00 8.99 ? 58 GLY A N 1
793
+ ATOM 451 C CA . GLY A 1 58 ? 17.277 30.270 11.286 1.00 9.52 ? 58 GLY A CA 1
794
+ ATOM 452 C C . GLY A 1 58 ? 17.801 28.889 11.612 1.00 10.14 ? 58 GLY A C 1
795
+ ATOM 453 O O . GLY A 1 58 ? 18.672 28.372 10.927 1.00 11.21 ? 58 GLY A O 1
796
+ ATOM 454 N N . ASP A 1 59 ? 17.292 28.268 12.666 1.00 8.95 ? 59 ASP A N 1
797
+ ATOM 455 C CA . ASP A 1 59 ? 17.754 26.932 13.005 1.00 8.73 ? 59 ASP A CA 1
798
+ ATOM 456 C C . ASP A 1 59 ? 17.344 25.956 11.897 1.00 8.68 ? 59 ASP A C 1
799
+ ATOM 457 O O . ASP A 1 59 ? 16.269 26.094 11.280 1.00 9.11 ? 59 ASP A O 1
800
+ ATOM 458 C CB . ASP A 1 59 ? 17.104 26.452 14.305 1.00 8.76 ? 59 ASP A CB 1
801
+ ATOM 459 C CG . ASP A 1 59 ? 17.679 27.120 15.553 1.00 9.14 ? 59 ASP A CG 1
802
+ ATOM 460 O OD1 . ASP A 1 59 ? 18.573 27.975 15.438 1.00 9.44 ? 59 ASP A OD1 1
803
+ ATOM 461 O OD2 . ASP A 1 59 ? 17.165 26.766 16.650 1.00 8.98 ? 59 ASP A OD2 1
804
+ ATOM 462 N N . THR A 1 60 ? 18.168 24.937 11.715 1.00 8.50 ? 60 THR A N 1
805
+ ATOM 463 C CA . THR A 1 60 ? 17.857 23.877 10.763 1.00 9.39 ? 60 THR A CA 1
806
+ ATOM 464 C C . THR A 1 60 ? 17.941 22.501 11.437 1.00 9.02 ? 60 THR A C 1
807
+ ATOM 465 O O . THR A 1 60 ? 18.563 22.330 12.502 1.00 10.13 ? 60 THR A O 1
808
+ ATOM 466 C CB . THR A 1 60 ? 18.811 23.902 9.557 1.00 10.73 ? 60 THR A CB 1
809
+ ATOM 467 O OG1 . THR A 1 60 ? 20.157 23.639 9.967 1.00 13.72 ? 60 THR A OG1 1
810
+ ATOM 468 C CG2 . THR A 1 60 ? 18.734 25.247 8.810 1.00 12.88 ? 60 THR A CG2 1
811
+ ATOM 469 N N . ALA A 1 61 ? 17.310 21.506 10.813 1.00 9.27 ? 61 ALA A N 1
812
+ ATOM 470 C CA . ALA A 1 61 ? 17.339 20.148 11.331 1.00 9.46 ? 61 ALA A CA 1
813
+ ATOM 471 C C . ALA A 1 61 ? 17.225 19.228 10.135 1.00 9.23 ? 61 ALA A C 1
814
+ ATOM 472 O O . ALA A 1 61 ? 16.586 19.593 9.137 1.00 9.78 ? 61 ALA A O 1
815
+ ATOM 473 C CB . ALA A 1 61 ? 16.187 19.898 12.288 1.00 10.25 ? 61 ALA A CB 1
816
+ ATOM 474 N N . VAL A 1 62 ? 17.795 18.033 10.240 1.00 9.27 ? 62 VAL A N 1
817
+ ATOM 475 C CA . VAL A 1 62 ? 17.748 17.061 9.141 1.00 9.82 ? 62 VAL A CA 1
818
+ ATOM 476 C C . VAL A 1 62 ? 17.125 15.769 9.641 1.00 8.84 ? 62 VAL A C 1
819
+ ATOM 477 O O . VAL A 1 62 ? 17.463 15.291 10.731 1.00 10.14 ? 62 VAL A O 1
820
+ ATOM 478 C CB . VAL A 1 62 ? 19.167 16.804 8.568 1.00 10.52 ? 62 VAL A CB 1
821
+ ATOM 479 C CG1 . VAL A 1 62 ? 19.147 15.668 7.516 1.00 11.86 ? 62 VAL A CG1 1
822
+ ATOM 480 C CG2 . VAL A 1 62 ? 19.701 18.081 7.929 1.00 13.64 ? 62 VAL A CG2 1
823
+ ATOM 481 N N . TYR A 1 63 ? 16.223 15.192 8.840 1.00 8.34 ? 63 TYR A N 1
824
+ ATOM 482 C CA . TYR A 1 63 ? 15.763 13.828 9.059 1.00 8.32 ? 63 TYR A CA 1
825
+ ATOM 483 C C . TYR A 1 63 ? 15.640 13.267 7.639 1.00 8.01 ? 63 TYR A C 1
826
+ ATOM 484 O O . TYR A 1 63 ? 14.620 13.487 6.966 1.00 8.45 ? 63 TYR A O 1
827
+ ATOM 485 C CB . TYR A 1 63 ? 14.401 13.792 9.806 1.00 9.13 ? 63 TYR A CB 1
828
+ ATOM 486 C CG . TYR A 1 63 ? 14.099 12.389 10.303 1.00 8.01 ? 63 TYR A CG 1
829
+ ATOM 487 C CD1 . TYR A 1 63 ? 14.581 11.967 11.539 1.00 9.52 ? 63 TYR A CD1 1
830
+ ATOM 488 C CD2 . TYR A 1 63 ? 13.406 11.481 9.514 1.00 9.14 ? 63 TYR A CD2 1
831
+ ATOM 489 C CE1 . TYR A 1 63 ? 14.376 10.668 11.989 1.00 8.50 ? 63 TYR A CE1 1
832
+ ATOM 490 C CE2 . TYR A 1 63 ? 13.182 10.201 9.938 1.00 9.06 ? 63 TYR A CE2 1
833
+ ATOM 491 C CZ . TYR A 1 63 ? 13.664 9.791 11.177 1.00 8.90 ? 63 TYR A CZ 1
834
+ ATOM 492 O OH . TYR A 1 63 ? 13.453 8.484 11.576 1.00 10.07 ? 63 TYR A OH 1
835
+ ATOM 493 N N . GLU A 1 64 ? 16.714 12.608 7.178 1.00 8.26 ? 64 GLU A N 1
836
+ ATOM 494 C CA . GLU A 1 64 ? 16.844 12.346 5.745 1.00 8.79 ? 64 GLU A CA 1
837
+ ATOM 495 C C . GLU A 1 64 ? 15.587 11.639 5.220 1.00 8.58 ? 64 GLU A C 1
838
+ ATOM 496 O O . GLU A 1 64 ? 15.097 10.703 5.849 1.00 9.13 ? 64 GLU A O 1
839
+ ATOM 497 C CB . GLU A 1 64 ? 18.083 11.504 5.447 1.00 9.94 ? 64 GLU A CB 1
840
+ ATOM 498 C CG . GLU A 1 64 ? 19.405 12.256 5.565 1.00 10.46 ? 64 GLU A CG 1
841
+ ATOM 499 C CD . GLU A 1 64 ? 19.676 13.207 4.421 1.00 11.34 ? 64 GLU A CD 1
842
+ ATOM 500 O OE1 . GLU A 1 64 ? 18.847 13.319 3.511 1.00 13.00 ? 64 GLU A OE1 1
843
+ ATOM 501 O OE2 . GLU A 1 64 ? 20.773 13.810 4.386 1.00 15.33 ? 64 GLU A OE2 1
844
+ ATOM 502 N N . PRO A 1 65 ? 15.094 12.027 4.028 1.00 8.20 ? 65 PRO A N 1
845
+ ATOM 503 C CA . PRO A 1 65 ? 15.659 12.970 3.060 1.00 9.50 ? 65 PRO A CA 1
846
+ ATOM 504 C C . PRO A 1 65 ? 15.242 14.418 3.293 1.00 9.22 ? 65 PRO A C 1
847
+ ATOM 505 O O . PRO A 1 65 ? 15.467 15.244 2.412 1.00 10.83 ? 65 PRO A O 1
848
+ ATOM 506 C CB . PRO A 1 65 ? 15.067 12.470 1.740 1.00 9.80 ? 65 PRO A CB 1
849
+ ATOM 507 C CG . PRO A 1 65 ? 13.679 12.023 2.152 1.00 10.10 ? 65 PRO A CG 1
850
+ ATOM 508 C CD . PRO A 1 65 ? 13.917 11.310 3.486 1.00 8.91 ? 65 PRO A CD 1
851
+ ATOM 509 N N . PHE A 1 66 ? 14.648 14.721 4.447 1.00 8.30 ? 66 PHE A N 1
852
+ ATOM 510 C CA . PHE A 1 66 ? 14.096 16.060 4.688 1.00 8.76 ? 66 PHE A CA 1
853
+ ATOM 511 C C . PHE A 1 66 ? 15.086 16.971 5.375 1.00 8.70 ? 66 PHE A C 1
854
+ ATOM 512 O O . PHE A 1 66 ? 15.855 16.547 6.241 1.00 9.44 ? 66 PHE A O 1
855
+ ATOM 513 C CB . PHE A 1 66 ? 12.836 15.923 5.574 1.00 9.19 ? 66 PHE A CB 1
856
+ ATOM 514 C CG . PHE A 1 66 ? 11.795 15.010 4.978 1.00 8.47 ? 66 PHE A CG 1
857
+ ATOM 515 C CD1 . PHE A 1 66 ? 11.635 13.727 5.468 1.00 9.00 ? 66 PHE A CD1 1
858
+ ATOM 516 C CD2 . PHE A 1 66 ? 11.051 15.400 3.878 1.00 9.48 ? 66 PHE A CD2 1
859
+ ATOM 517 C CE1 . PHE A 1 66 ? 10.713 12.868 4.895 1.00 10.09 ? 66 PHE A CE1 1
860
+ ATOM 518 C CE2 . PHE A 1 66 ? 10.121 14.524 3.282 1.00 10.33 ? 66 PHE A CE2 1
861
+ ATOM 519 C CZ . PHE A 1 66 ? 9.955 13.261 3.784 1.00 10.81 ? 66 PHE A CZ 1
862
+ ATOM 520 N N . ARG A 1 67 ? 15.003 18.242 5.028 1.00 8.47 ? 67 ARG A N 1
863
+ ATOM 521 C CA . ARG A 1 67 ? 15.706 19.285 5.756 1.00 9.73 ? 67 ARG A CA 1
864
+ ATOM 522 C C . ARG A 1 67 ? 14.679 20.352 6.115 1.00 9.18 ? 67 ARG A C 1
865
+ ATOM 523 O O . ARG A 1 67 ? 13.852 20.750 5.267 1.00 9.38 ? 67 ARG A O 1
866
+ ATOM 524 C CB . ARG A 1 67 ? 16.814 19.898 4.890 1.00 10.48 ? 67 ARG A CB 1
867
+ ATOM 525 C CG . ARG A 1 67 ? 17.647 20.938 5.632 1.00 14.75 ? 67 ARG A CG 1
868
+ ATOM 526 C CD . ARG A 1 67 ? 18.733 21.548 4.671 1.00 17.61 ? 67 ARG A CD 1
869
+ ATOM 527 N NE . ARG A 1 67 ? 19.539 22.560 5.362 1.00 26.83 ? 67 ARG A NE 1
870
+ ATOM 528 C CZ . ARG A 1 67 ? 20.556 22.270 6.165 1.00 30.12 ? 67 ARG A CZ 1
871
+ ATOM 529 N NH1 . ARG A 1 67 ? 20.897 20.997 6.348 1.00 32.80 ? 67 ARG A NH1 1
872
+ ATOM 530 N NH2 . ARG A 1 67 ? 21.225 23.252 6.783 1.00 30.40 ? 67 ARG A NH2 1
873
+ ATOM 531 N N . PHE A 1 68 ? 14.736 20.799 7.366 1.00 8.35 ? 68 PHE A N 1
874
+ ATOM 532 C CA . PHE A 1 68 ? 13.766 21.751 7.907 1.00 8.72 ? 68 PHE A CA 1
875
+ ATOM 533 C C . PHE A 1 68 ? 14.479 23.008 8.356 1.00 8.47 ? 68 PHE A C 1
876
+ ATOM 534 O O . PHE A 1 68 ? 15.623 22.940 8.835 1.00 9.24 ? 68 PHE A O 1
877
+ ATOM 535 C CB . PHE A 1 68 ? 13.142 21.146 9.177 1.00 8.73 ? 68 PHE A CB 1
878
+ ATOM 536 C CG . PHE A 1 68 ? 12.515 19.784 8.964 1.00 9.15 ? 68 PHE A CG 1
879
+ ATOM 537 C CD1 . PHE A 1 68 ? 11.364 19.652 8.201 1.00 9.41 ? 68 PHE A CD1 1
880
+ ATOM 538 C CD2 . PHE A 1 68 ? 13.072 18.629 9.507 1.00 11.69 ? 68 PHE A CD2 1
881
+ ATOM 539 C CE1 . PHE A 1 68 ? 10.791 18.409 7.982 1.00 9.68 ? 68 PHE A CE1 1
882
+ ATOM 540 C CE2 . PHE A 1 68 ? 12.479 17.359 9.295 1.00 10.78 ? 68 PHE A CE2 1
883
+ ATOM 541 C CZ . PHE A 1 68 ? 11.315 17.277 8.545 1.00 9.08 ? 68 PHE A CZ 1
884
+ ATOM 542 N N . GLN A 1 69 ? 13.827 24.158 8.214 1.00 8.56 ? 69 GLN A N 1
885
+ ATOM 543 C CA . GLN A 1 69 ? 14.401 25.387 8.734 1.00 8.93 ? 69 GLN A CA 1
886
+ ATOM 544 C C . GLN A 1 69 ? 13.277 26.191 9.408 1.00 8.29 ? 69 GLN A C 1
887
+ ATOM 545 O O . GLN A 1 69 ? 12.172 26.331 8.862 1.00 8.79 ? 69 GLN A O 1
888
+ ATOM 546 C CB . GLN A 1 69 ? 15.000 26.219 7.595 1.00 9.62 ? 69 GLN A CB 1
889
+ ATOM 547 C CG . GLN A 1 69 ? 15.606 27.566 8.042 1.00 12.09 ? 69 GLN A CG 1
890
+ ATOM 548 C CD . GLN A 1 69 ? 16.238 28.275 6.856 1.00 14.60 ? 69 GLN A CD 1
891
+ ATOM 549 O OE1 . GLN A 1 69 ? 16.741 27.622 5.935 1.00 20.31 ? 69 GLN A OE1 1
892
+ ATOM 550 N NE2 . GLN A 1 69 ? 16.279 29.583 6.899 1.00 17.90 ? 69 GLN A NE2 1
893
+ ATOM 551 N N . VAL A 1 70 ? 13.568 26.716 10.609 1.00 8.50 ? 70 VAL A N 1
894
+ ATOM 552 C CA . VAL A 1 70 ? 12.580 27.592 11.277 1.00 8.74 ? 70 VAL A CA 1
895
+ ATOM 553 C C . VAL A 1 70 ? 12.663 28.936 10.572 1.00 9.35 ? 70 VAL A C 1
896
+ ATOM 554 O O . VAL A 1 70 ? 13.680 29.622 10.678 1.00 10.27 ? 70 VAL A O 1
897
+ ATOM 555 C CB . VAL A 1 70 ? 12.886 27.756 12.778 1.00 8.83 ? 70 VAL A CB 1
898
+ ATOM 556 C CG1 . VAL A 1 70 ? 11.960 28.789 13.411 1.00 10.10 ? 70 VAL A CG1 1
899
+ ATOM 557 C CG2 . VAL A 1 70 ? 12.718 26.425 13.458 1.00 10.83 ? 70 VAL A CG2 1
900
+ ATOM 558 N N . THR A 1 71 ? 11.583 29.323 9.880 1.00 9.32 ? 71 THR A N 1
901
+ ATOM 559 C CA . THR A 1 71 ? 11.616 30.595 9.156 1.00 9.81 ? 71 THR A CA 1
902
+ ATOM 560 C C . THR A 1 71 ? 10.909 31.716 9.922 1.00 10.34 ? 71 THR A C 1
903
+ ATOM 561 O O . THR A 1 71 ? 11.212 32.881 9.686 1.00 11.62 ? 71 THR A O 1
904
+ ATOM 562 C CB . THR A 1 71 ? 10.973 30.443 7.775 1.00 10.43 ? 71 THR A CB 1
905
+ ATOM 563 O OG1 . THR A 1 71 ? 9.673 29.859 7.944 1.00 11.96 ? 71 THR A OG1 1
906
+ ATOM 564 C CG2 . THR A 1 71 ? 11.878 29.566 6.880 1.00 11.78 ? 71 THR A CG2 1
907
+ ATOM 565 N N . GLN A 1 72 ? 9.972 31.368 10.807 1.00 9.82 ? 72 GLN A N 1
908
+ ATOM 566 C CA . GLN A 1 72 ? 9.290 32.399 11.619 1.00 10.07 ? 72 GLN A CA 1
909
+ ATOM 567 C C . GLN A 1 72 ? 8.977 31.852 12.993 1.00 9.79 ? 72 GLN A C 1
910
+ ATOM 568 O O . GLN A 1 72 ? 8.621 30.669 13.136 1.00 10.55 ? 72 GLN A O 1
911
+ ATOM 569 C CB . GLN A 1 72 ? 7.973 32.840 10.979 1.00 11.46 ? 72 GLN A CB 1
912
+ ATOM 570 C CG . GLN A 1 72 ? 8.140 33.483 9.607 1.00 13.04 ? 72 GLN A CG 1
913
+ ATOM 571 C CD . GLN A 1 72 ? 6.834 34.087 9.146 1.00 16.17 ? 72 GLN A CD 1
914
+ ATOM 572 O OE1 . GLN A 1 72 ? 6.263 34.963 9.829 1.00 19.06 ? 72 GLN A OE1 1
915
+ ATOM 573 N NE2 . GLN A 1 72 ? 6.351 33.636 8.009 1.00 18.60 ? 72 GLN A NE2 1
916
+ ATOM 574 N N . MET A 1 73 ? 9.082 32.739 13.995 1.00 10.55 ? 73 MET A N 1
917
+ ATOM 575 C CA . MET A 1 73 ? 8.627 32.458 15.348 1.00 10.54 ? 73 MET A CA 1
918
+ ATOM 576 C C . MET A 1 73 ? 7.841 33.649 15.828 1.00 11.37 ? 73 MET A C 1
919
+ ATOM 577 O O . MET A 1 73 ? 8.078 34.764 15.357 1.00 12.07 ? 73 MET A O 1
920
+ ATOM 578 C CB . MET A 1 73 ? 9.803 32.266 16.322 1.00 10.28 ? 73 MET A CB 1
921
+ ATOM 579 C CG . MET A 1 73 ? 10.558 30.964 16.071 1.00 10.06 ? 73 MET A CG 1
922
+ ATOM 580 S SD . MET A 1 73 ? 11.907 30.560 17.383 1.00 14.44 ? 73 MET A SD 1
923
+ ATOM 581 C CE . MET A 1 73 ? 10.743 30.291 18.907 1.00 11.05 ? 73 MET A CE 1
924
+ ATOM 582 N N . ASP A 1 74 ? 6.930 33.420 16.768 1.00 11.30 ? 74 ASP A N 1
925
+ ATOM 583 C CA . ASP A 1 74 ? 6.382 34.536 17.557 1.00 11.73 ? 74 ASP A CA 1
926
+ ATOM 584 C C . ASP A 1 74 ? 7.290 34.669 18.792 1.00 11.14 ? 74 ASP A C 1
927
+ ATOM 585 O O . ASP A 1 74 ? 8.475 34.280 18.709 1.00 11.88 ? 74 ASP A O 1
928
+ ATOM 586 C CB . ASP A 1 74 ? 4.869 34.383 17.810 1.00 12.90 ? 74 ASP A CB 1
929
+ ATOM 587 C CG . ASP A 1 74 ? 4.491 33.115 18.542 1.00 13.09 ? 74 ASP A CG 1
930
+ ATOM 588 O OD1 . ASP A 1 74 ? 5.338 32.531 19.265 1.00 14.84 ? 74 ASP A OD1 1
931
+ ATOM 589 O OD2 . ASP A 1 74 ? 3.300 32.719 18.395 1.00 16.17 ? 74 ASP A OD2 1
932
+ ATOM 590 N N . LYS A 1 75 ? 6.828 35.196 19.916 1.00 11.38 ? 75 LYS A N 1
933
+ ATOM 591 C CA . LYS A 1 75 ? 7.786 35.404 20.999 1.00 10.27 ? 75 LYS A CA 1
934
+ ATOM 592 C C . LYS A 1 75 ? 8.284 34.083 21.581 1.00 10.59 ? 75 LYS A C 1
935
+ ATOM 593 O O . LYS A 1 75 ? 9.401 34.041 22.116 1.00 12.35 ? 75 LYS A O 1
936
+ ATOM 594 C CB . LYS A 1 75 ? 7.155 36.235 22.107 1.00 11.98 ? 75 LYS A CB 1
937
+ ATOM 595 C CG . LYS A 1 75 ? 7.108 37.734 21.719 1.00 12.10 ? 75 LYS A CG 1
938
+ ATOM 596 C CD . LYS A 1 75 ? 6.376 38.506 22.800 1.00 14.55 ? 75 LYS A CD 1
939
+ ATOM 597 C CE . LYS A 1 75 ? 6.151 39.963 22.404 1.00 16.38 ? 75 LYS A CE 1
940
+ ATOM 598 N NZ . LYS A 1 75 ? 7.441 40.694 22.298 1.00 19.20 ? 75 LYS A NZ 1
941
+ ATOM 599 N N . ARG A 1 76 ? 7.513 33.014 21.476 1.00 10.99 ? 76 ARG A N 1
942
+ ATOM 600 C CA . ARG A 1 76 ? 7.883 31.742 22.109 1.00 11.83 ? 76 ARG A CA 1
943
+ ATOM 601 C C . ARG A 1 76 ? 7.766 30.500 21.262 1.00 12.76 ? 76 ARG A C 1
944
+ ATOM 602 O O . ARG A 1 76 ? 8.272 29.461 21.680 1.00 14.89 ? 76 ARG A O 1
945
+ ATOM 603 C CB . ARG A 1 76 ? 7.057 31.484 23.391 1.00 12.93 ? 76 ARG A CB 1
946
+ ATOM 604 C CG . ARG A 1 76 ? 7.193 32.553 24.458 1.00 12.95 ? 76 ARG A CG 1
947
+ ATOM 605 C CD . ARG A 1 76 ? 8.581 32.530 25.075 1.00 13.49 ? 76 ARG A CD 1
948
+ ATOM 606 N NE . ARG A 1 76 ? 8.736 33.628 26.031 1.00 14.16 ? 76 ARG A NE 1
949
+ ATOM 607 C CZ . ARG A 1 76 ? 9.914 34.065 26.457 1.00 14.48 ? 76 ARG A CZ 1
950
+ ATOM 608 N NH1 . ARG A 1 76 ? 11.039 33.437 26.064 1.00 16.94 ? 76 ARG A NH1 1
951
+ ATOM 609 N NH2 . ARG A 1 76 ? 9.981 35.084 27.312 1.00 15.71 ? 76 ARG A NH2 1
952
+ ATOM 610 N N . ARG A 1 77 ? 7.106 30.563 20.109 1.00 11.79 ? 77 ARG A N 1
953
+ ATOM 611 C CA . ARG A 1 77 ? 6.764 29.329 19.363 0.50 12.33 ? 77 ARG A CA 1
954
+ ATOM 612 C C . ARG A 1 77 ? 7.242 29.390 17.934 1.00 11.29 ? 77 ARG A C 1
955
+ ATOM 613 O O . ARG A 1 77 ? 7.203 30.471 17.321 1.00 11.38 ? 77 ARG A O 1
956
+ ATOM 614 C CB . ARG A 1 77 ? 5.224 29.106 19.342 0.50 13.66 ? 77 ARG A CB 1
957
+ ATOM 615 C CG . ARG A 1 77 ? 4.532 29.247 20.688 0.50 16.23 ? 77 ARG A CG 1
958
+ ATOM 616 C CD . ARG A 1 77 ? 5.030 28.225 21.694 0.50 19.65 ? 77 ARG A CD 1
959
+ ATOM 617 N NE . ARG A 1 77 ? 4.134 28.140 22.843 0.50 23.65 ? 77 ARG A NE 1
960
+ ATOM 618 C CZ . ARG A 1 77 ? 3.070 27.340 22.932 0.50 25.06 ? 77 ARG A CZ 1
961
+ ATOM 619 N NH1 . ARG A 1 77 ? 2.746 26.512 21.946 0.50 26.85 ? 77 ARG A NH1 1
962
+ ATOM 620 N NH2 . ARG A 1 77 ? 2.326 27.361 24.029 0.50 28.11 ? 77 ARG A NH2 1
963
+ ATOM 621 N N . ILE A 1 78 ? 7.635 28.224 17.410 1.00 11.03 ? 78 ILE A N 1
964
+ ATOM 622 C CA . ILE A 1 78 ? 7.834 28.093 15.970 1.00 10.80 ? 78 ILE A CA 1
965
+ ATOM 623 C C . ILE A 1 78 ? 6.498 28.215 15.263 1.00 11.58 ? 78 ILE A C 1
966
+ ATOM 624 O O . ILE A 1 78 ? 5.585 27.423 15.537 1.00 13.66 ? 78 ILE A O 1
967
+ ATOM 625 C CB . ILE A 1 78 ? 8.407 26.701 15.653 1.00 10.98 ? 78 ILE A CB 1
968
+ ATOM 626 C CG1 . ILE A 1 78 ? 9.821 26.549 16.245 1.00 11.00 ? 78 ILE A CG1 1
969
+ ATOM 627 C CG2 . ILE A 1 78 ? 8.457 26.513 14.131 1.00 12.08 ? 78 ILE A CG2 1
970
+ ATOM 628 C CD1 . ILE A 1 78 ? 10.299 25.074 16.251 1.00 11.34 ? 78 ILE A CD1 1
971
+ ATOM 629 N N . ILE A 1 79 ? 6.367 29.197 14.372 1.00 10.80 ? 79 ILE A N 1
972
+ ATOM 630 C CA . ILE A 1 79 ? 5.123 29.373 13.632 1.00 12.38 ? 79 ILE A CA 1
973
+ ATOM 631 C C . ILE A 1 79 ? 5.247 29.018 12.146 1.00 10.93 ? 79 ILE A C 1
974
+ ATOM 632 O O . ILE A 1 79 ? 4.218 28.764 11.526 1.00 11.46 ? 79 ILE A O 1
975
+ ATOM 633 C CB . ILE A 1 79 ? 4.491 30.731 13.859 1.00 12.93 ? 79 ILE A CB 1
976
+ ATOM 634 C CG1 . ILE A 1 79 ? 5.311 31.849 13.241 1.00 13.37 ? 79 ILE A CG1 1
977
+ ATOM 635 C CG2 . ILE A 1 79 ? 4.216 30.957 15.363 1.00 15.23 ? 79 ILE A CG2 1
978
+ ATOM 636 C CD1 . ILE A 1 79 ? 4.666 33.271 13.449 1.00 15.39 ? 79 ILE A CD1 1
979
+ ATOM 637 N N . GLU A 1 80 ? 6.465 28.971 11.591 1.00 10.49 ? 80 GLU A N 1
980
+ ATOM 638 C CA . GLU A 1 80 ? 6.594 28.512 10.206 1.00 9.83 ? 80 GLU A CA 1
981
+ ATOM 639 C C . GLU A 1 80 ? 7.895 27.747 10.075 1.00 8.95 ? 80 GLU A C 1
982
+ ATOM 640 O O . GLU A 1 80 ? 8.934 28.175 10.593 1.00 9.58 ? 80 GLU A O 1
983
+ ATOM 641 C CB . GLU A 1 80 ? 6.603 29.684 9.243 1.00 10.71 ? 80 GLU A CB 1
984
+ ATOM 642 C CG . GLU A 1 80 ? 6.540 29.259 7.753 1.00 11.79 ? 80 GLU A CG 1
985
+ ATOM 643 C CD . GLU A 1 80 ? 6.554 30.490 6.871 1.00 13.79 ? 80 GLU A CD 1
986
+ ATOM 644 O OE1 . GLU A 1 80 ? 7.606 31.157 6.810 1.00 14.75 ? 80 GLU A OE1 1
987
+ ATOM 645 O OE2 . GLU A 1 80 ? 5.519 30.791 6.228 1.00 15.42 ? 80 GLU A OE2 1
988
+ ATOM 646 N N . ILE A 1 81 ? 7.789 26.616 9.373 1.00 9.31 ? 81 ILE A N 1
989
+ ATOM 647 C CA . ILE A 1 81 ? 8.932 25.800 9.024 1.00 9.58 ? 81 ILE A CA 1
990
+ ATOM 648 C C . ILE A 1 81 ? 8.966 25.613 7.510 1.00 8.58 ? 81 ILE A C 1
991
+ ATOM 649 O O . ILE A 1 81 ? 7.938 25.280 6.885 1.00 9.61 ? 81 ILE A O 1
992
+ ATOM 650 C CB . ILE A 1 81 ? 8.868 24.426 9.740 1.00 9.86 ? 81 ILE A CB 1
993
+ ATOM 651 C CG1 . ILE A 1 81 ? 9.216 24.625 11.227 1.00 12.53 ? 81 ILE A CG1 1
994
+ ATOM 652 C CG2 . ILE A 1 81 ? 9.823 23.388 9.120 1.00 10.81 ? 81 ILE A CG2 1
995
+ ATOM 653 C CD1 . ILE A 1 81 ? 8.911 23.412 12.119 1.00 13.28 ? 81 ILE A CD1 1
996
+ ATOM 654 N N . LYS A 1 82 ? 10.156 25.816 6.944 1.00 8.51 ? 82 LYS A N 1
997
+ ATOM 655 C CA . LYS A 1 82 ? 10.433 25.456 5.556 1.00 8.66 ? 82 LYS A CA 1
998
+ ATOM 656 C C . LYS A 1 82 ? 10.837 23.996 5.475 1.00 9.13 ? 82 LYS A C 1
999
+ ATOM 657 O O . LYS A 1 82 ? 11.696 23.544 6.251 1.00 9.02 ? 82 LYS A O 1
1000
+ ATOM 658 C CB . LYS A 1 82 ? 11.580 26.315 5.034 1.00 9.37 ? 82 LYS A CB 1
1001
+ ATOM 659 C CG . LYS A 1 82 ? 12.066 25.883 3.670 1.00 9.96 ? 82 LYS A CG 1
1002
+ ATOM 660 C CD . LYS A 1 82 ? 13.092 26.903 3.120 1.00 13.34 ? 82 LYS A CD 1
1003
+ ATOM 661 C CE . LYS A 1 82 ? 13.717 26.335 1.843 1.00 13.94 ? 82 LYS A CE 1
1004
+ ATOM 662 N NZ . LYS A 1 82 ? 14.689 27.327 1.253 1.00 15.07 ? 82 LYS A NZ 1
1005
+ ATOM 663 N N . ILE A 1 83 ? 10.232 23.274 4.514 1.00 8.81 ? 83 ILE A N 1
1006
+ ATOM 664 C CA . ILE A 1 83 ? 10.701 21.925 4.144 1.00 8.79 ? 83 ILE A CA 1
1007
+ ATOM 665 C C . ILE A 1 83 ? 11.377 22.102 2.779 1.00 9.26 ? 83 ILE A C 1
1008
+ ATOM 666 O O . ILE A 1 83 ? 10.750 22.601 1.826 1.00 9.99 ? 83 ILE A O 1
1009
+ ATOM 667 C CB . ILE A 1 83 ? 9.529 20.914 4.093 1.00 9.47 ? 83 ILE A CB 1
1010
+ ATOM 668 C CG1 . ILE A 1 83 ? 8.848 20.826 5.457 1.00 10.16 ? 83 ILE A CG1 1
1011
+ ATOM 669 C CG2 . ILE A 1 83 ? 10.051 19.563 3.588 1.00 10.53 ? 83 ILE A CG2 1
1012
+ ATOM 670 C CD1 . ILE A 1 83 ? 7.644 19.877 5.508 1.00 11.00 ? 83 ILE A CD1 1
1013
+ ATOM 671 N N . PHE A 1 84 ? 12.661 21.754 2.710 1.00 9.74 ? 84 PHE A N 1
1014
+ ATOM 672 C CA . PHE A 1 84 ? 13.402 21.910 1.463 1.00 9.94 ? 84 PHE A CA 1
1015
+ ATOM 673 C C . PHE A 1 84 ? 12.902 20.916 0.417 1.00 10.21 ? 84 PHE A C 1
1016
+ ATOM 674 O O . PHE A 1 84 ? 12.224 19.931 0.743 1.00 10.07 ? 84 PHE A O 1
1017
+ ATOM 675 C CB . PHE A 1 84 ? 14.898 21.702 1.745 1.00 10.75 ? 84 PHE A CB 1
1018
+ ATOM 676 C CG . PHE A 1 84 ? 15.597 22.915 2.300 1.00 11.71 ? 84 PHE A CG 1
1019
+ ATOM 677 C CD1 . PHE A 1 84 ? 16.447 23.665 1.502 1.00 15.44 ? 84 PHE A CD1 1
1020
+ ATOM 678 C CD2 . PHE A 1 84 ? 15.373 23.305 3.617 1.00 12.71 ? 84 PHE A CD2 1
1021
+ ATOM 679 C CE1 . PHE A 1 84 ? 17.093 24.805 2.013 1.00 17.84 ? 84 PHE A CE1 1
1022
+ ATOM 680 C CE2 . PHE A 1 84 ? 16.009 24.421 4.155 1.00 14.20 ? 84 PHE A CE2 1
1023
+ ATOM 681 C CZ . PHE A 1 84 ? 16.869 25.177 3.341 1.00 17.15 ? 84 PHE A CZ 1
1024
+ ATOM 682 N N . PRO A 1 85 ? 13.251 21.156 -0.858 1.00 11.05 ? 85 PRO A N 1
1025
+ ATOM 683 C CA . PRO A 1 85 ? 12.854 20.153 -1.859 1.00 11.46 ? 85 PRO A CA 1
1026
+ ATOM 684 C C . PRO A 1 85 ? 13.481 18.809 -1.501 1.00 12.01 ? 85 PRO A C 1
1027
+ ATOM 685 O O . PRO A 1 85 ? 14.636 18.781 -1.030 1.00 13.66 ? 85 PRO A O 1
1028
+ ATOM 686 C CB . PRO A 1 85 ? 13.466 20.688 -3.163 1.00 13.02 ? 85 PRO A CB 1
1029
+ ATOM 687 C CG . PRO A 1 85 ? 13.779 22.175 -2.878 1.00 12.35 ? 85 PRO A CG 1
1030
+ ATOM 688 C CD . PRO A 1 85 ? 14.071 22.245 -1.417 1.00 12.32 ? 85 PRO A CD 1
1031
+ ATOM 689 N N . PHE A 1 86 ? 12.780 17.706 -1.761 1.00 11.61 ? 86 PHE A N 1
1032
+ ATOM 690 C CA . PHE A 1 86 ? 13.322 16.384 -1.416 1.00 11.73 ? 86 PHE A CA 1
1033
+ ATOM 691 C C . PHE A 1 86 ? 13.095 15.415 -2.567 1.00 12.56 ? 86 PHE A C 1
1034
+ ATOM 692 O O . PHE A 1 86 ? 12.136 15.545 -3.359 1.00 13.19 ? 86 PHE A O 1
1035
+ ATOM 693 C CB . PHE A 1 86 ? 12.714 15.851 -0.097 1.00 11.47 ? 86 PHE A CB 1
1036
+ ATOM 694 C CG . PHE A 1 86 ? 11.231 15.838 -0.087 1.00 10.77 ? 86 PHE A CG 1
1037
+ ATOM 695 C CD1 . PHE A 1 86 ? 10.539 14.687 -0.503 1.00 11.24 ? 86 PHE A CD1 1
1038
+ ATOM 696 C CD2 . PHE A 1 86 ? 10.502 16.954 0.335 1.00 10.97 ? 86 PHE A CD2 1
1039
+ ATOM 697 C CE1 . PHE A 1 86 ? 9.156 14.674 -0.531 1.00 11.41 ? 86 PHE A CE1 1
1040
+ ATOM 698 C CE2 . PHE A 1 86 ? 9.113 16.934 0.299 1.00 12.01 ? 86 PHE A CE2 1
1041
+ ATOM 699 C CZ . PHE A 1 86 ? 8.450 15.798 -0.118 1.00 10.74 ? 86 PHE A CZ 1
1042
+ ATOM 700 N N . GLU A 1 87 ? 13.993 14.461 -2.727 0.50 13.83 ? 87 GLU A N 1
1043
+ ATOM 701 C CA . GLU A 1 87 ? 13.764 13.403 -3.709 0.50 14.97 ? 87 GLU A CA 1
1044
+ ATOM 702 C C . GLU A 1 87 ? 13.244 12.160 -2.964 0.50 14.49 ? 87 GLU A C 1
1045
+ ATOM 703 O O . GLU A 1 87 ? 13.036 12.175 -1.743 0.50 15.10 ? 87 GLU A O 1
1046
+ ATOM 704 C CB . GLU A 1 87 ? 15.049 13.091 -4.512 0.50 14.57 ? 87 GLU A CB 1
1047
+ ATOM 705 C CG . GLU A 1 87 ? 15.438 14.115 -5.615 0.50 17.81 ? 87 GLU A CG 1
1048
+ ATOM 706 C CD . GLU A 1 87 ? 16.691 13.667 -6.428 0.50 17.56 ? 87 GLU A CD 1
1049
+ ATOM 707 O OE1 . GLU A 1 87 ? 16.513 13.178 -7.560 0.50 22.42 ? 87 GLU A OE1 1
1050
+ ATOM 708 O OE2 . GLU A 1 87 ? 17.831 13.809 -5.925 0.50 20.23 ? 87 GLU A OE2 1
1051
+ ATOM 709 O OXT . GLU A 1 87 ? 12.992 11.113 -3.564 0.50 15.16 ? 87 GLU A OXT 1
1052
+ #
1053
+ loop_
1054
+ _pdbx_audit_revision_history.ordinal
1055
+ _pdbx_audit_revision_history.data_content_type
1056
+ _pdbx_audit_revision_history.major_revision
1057
+ _pdbx_audit_revision_history.minor_revision
1058
+ _pdbx_audit_revision_history.revision_date
1059
+ 1 'Structure model' 1 0 2006-11-28
1060
+ 2 'Structure model' 1 1 2008-05-01
1061
+ 3 'Structure model' 1 2 2011-07-13
1062
+ #
mmcifs/2NR5_A.cif ADDED
@@ -0,0 +1,799 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_2NR5_A
2
+ #
3
+ _pdbx_database_status.entry_id 2NR5_A
4
+ _pdbx_database_status.status_code .
5
+ _pdbx_database_status.status_code_sf ?
6
+ _pdbx_database_status.status_code_mr ?
7
+ _pdbx_database_status.status_code_cs ?
8
+ _pdbx_database_status.recvd_initial_deposition_date ?
9
+ _pdbx_database_status.status_code_nmr_data ?
10
+ _pdbx_database_status.deposit_site ?
11
+ _pdbx_database_status.process_site ?
12
+ _pdbx_database_status.SG_entry ?
13
+ _pdbx_database_status.pdb_format_compatible Y
14
+ _pdbx_database_status.methods_development_category ?
15
+ #
16
+ _entity_poly.entity_id 1
17
+ _entity_poly.type "polypeptide(L)"
18
+ _entity_poly.nstd_linkage no
19
+ _entity_poly.nstd_monomer no
20
+ _entity_poly.pdbx_seq_one_letter_code MMTKKERIAIQRSMAEEALGKLKAIRQLCGAEDSDMQEVEIWTNRIKELEDWLWGESPIA
21
+ _entity_poly.pdbx_seq_one_letter_code_can MMTKKERIAIQRSMAEEALGKLKAIRQLCGAEDSDMQEVEIWTNRIKELEDWLWGESPIA
22
+ _entity_poly.pdbx_strand_id A
23
+ _entity_poly.pdbx_target_identifier ?
24
+ #
25
+ loop_
26
+ _entity_poly_seq.entity_id
27
+ _entity_poly_seq.num
28
+ _entity_poly_seq.mon_id
29
+ _entity_poly_seq.hetero
30
+ 1 1 MET n
31
+ 1 2 MET n
32
+ 1 3 THR n
33
+ 1 4 LYS n
34
+ 1 5 LYS n
35
+ 1 6 GLU n
36
+ 1 7 ARG n
37
+ 1 8 ILE n
38
+ 1 9 ALA n
39
+ 1 10 ILE n
40
+ 1 11 GLN n
41
+ 1 12 ARG n
42
+ 1 13 SER n
43
+ 1 14 MET n
44
+ 1 15 ALA n
45
+ 1 16 GLU n
46
+ 1 17 GLU n
47
+ 1 18 ALA n
48
+ 1 19 LEU n
49
+ 1 20 GLY n
50
+ 1 21 LYS n
51
+ 1 22 LEU n
52
+ 1 23 LYS n
53
+ 1 24 ALA n
54
+ 1 25 ILE n
55
+ 1 26 ARG n
56
+ 1 27 GLN n
57
+ 1 28 LEU n
58
+ 1 29 CYS n
59
+ 1 30 GLY n
60
+ 1 31 ALA n
61
+ 1 32 GLU n
62
+ 1 33 ASP n
63
+ 1 34 SER n
64
+ 1 35 ASP n
65
+ 1 36 MET n
66
+ 1 37 GLN n
67
+ 1 38 GLU n
68
+ 1 39 VAL n
69
+ 1 40 GLU n
70
+ 1 41 ILE n
71
+ 1 42 TRP n
72
+ 1 43 THR n
73
+ 1 44 ASN n
74
+ 1 45 ARG n
75
+ 1 46 ILE n
76
+ 1 47 LYS n
77
+ 1 48 GLU n
78
+ 1 49 LEU n
79
+ 1 50 GLU n
80
+ 1 51 ASP n
81
+ 1 52 TRP n
82
+ 1 53 LEU n
83
+ 1 54 TRP n
84
+ 1 55 GLY n
85
+ 1 56 GLU n
86
+ 1 57 SER n
87
+ 1 58 PRO n
88
+ 1 59 ILE n
89
+ 1 60 ALA n
90
+ #
91
+ _entity.id 1
92
+ _entity.type polymer
93
+ _entity.src_method man
94
+ _entity.pdbx_description ?
95
+ _entity.formula_weight 6987.064
96
+ _entity.pdbx_number_of_molecules 1
97
+ _entity.pdbx_ec ?
98
+ _entity.pdbx_mutation ?
99
+ _entity.pdbx_fragment ?
100
+ _entity.details ?
101
+ #
102
+ loop_
103
+ _pdbx_poly_seq_scheme.asym_id
104
+ _pdbx_poly_seq_scheme.entity_id
105
+ _pdbx_poly_seq_scheme.seq_id
106
+ _pdbx_poly_seq_scheme.mon_id
107
+ _pdbx_poly_seq_scheme.ndb_seq_num
108
+ _pdbx_poly_seq_scheme.pdb_seq_num
109
+ _pdbx_poly_seq_scheme.auth_seq_num
110
+ _pdbx_poly_seq_scheme.pdb_mon_id
111
+ _pdbx_poly_seq_scheme.auth_mon_id
112
+ _pdbx_poly_seq_scheme.pdb_strand_id
113
+ _pdbx_poly_seq_scheme.pdb_ins_code
114
+ _pdbx_poly_seq_scheme.hetero
115
+ A 1 1 MET 1 1 1 MET MET A . n
116
+ A 1 2 MET 2 2 2 MET MET A . n
117
+ A 1 3 THR 3 3 3 THR THR A . n
118
+ A 1 4 LYS 4 4 4 LYS LYS A . n
119
+ A 1 5 LYS 5 5 5 LYS LYS A . n
120
+ A 1 6 GLU 6 6 6 GLU GLU A . n
121
+ A 1 7 ARG 7 7 7 ARG ARG A . n
122
+ A 1 8 ILE 8 8 8 ILE ILE A . n
123
+ A 1 9 ALA 9 9 9 ALA ALA A . n
124
+ A 1 10 ILE 10 10 10 ILE ILE A . n
125
+ A 1 11 GLN 11 11 11 GLN GLN A . n
126
+ A 1 12 ARG 12 12 12 ARG ARG A . n
127
+ A 1 13 SER 13 13 13 SER SER A . n
128
+ A 1 14 MET 14 14 14 MET MET A . n
129
+ A 1 15 ALA 15 15 15 ALA ALA A . n
130
+ A 1 16 GLU 16 16 16 GLU GLU A . n
131
+ A 1 17 GLU 17 17 17 GLU GLU A . n
132
+ A 1 18 ALA 18 18 18 ALA ALA A . n
133
+ A 1 19 LEU 19 19 19 LEU LEU A . n
134
+ A 1 20 GLY 20 20 20 GLY GLY A . n
135
+ A 1 21 LYS 21 21 21 LYS LYS A . n
136
+ A 1 22 LEU 22 22 22 LEU LEU A . n
137
+ A 1 23 LYS 23 23 23 LYS LYS A . n
138
+ A 1 24 ALA 24 24 24 ALA ALA A . n
139
+ A 1 25 ILE 25 25 25 ILE ILE A . n
140
+ A 1 26 ARG 26 26 26 ARG ARG A . n
141
+ A 1 27 GLN 27 27 27 GLN GLN A . n
142
+ A 1 28 LEU 28 28 28 LEU LEU A . n
143
+ A 1 29 CYS 29 29 29 CYS CYS A . n
144
+ A 1 30 GLY 30 30 30 GLY GLY A . n
145
+ A 1 31 ALA 31 31 31 ALA ALA A . n
146
+ A 1 32 GLU 32 32 32 GLU GLU A . n
147
+ A 1 33 ASP 33 33 33 ASP ASP A . n
148
+ A 1 34 SER 34 34 34 SER SER A . n
149
+ A 1 35 ASP 35 35 35 ASP ASP A . n
150
+ A 1 36 MET 36 36 36 MET MET A . n
151
+ A 1 37 GLN 37 37 37 GLN GLN A . n
152
+ A 1 38 GLU 38 38 38 GLU GLU A . n
153
+ A 1 39 VAL 39 39 39 VAL VAL A . n
154
+ A 1 40 GLU 40 40 40 GLU GLU A . n
155
+ A 1 41 ILE 41 41 41 ILE ILE A . n
156
+ A 1 42 TRP 42 42 42 TRP TRP A . n
157
+ A 1 43 THR 43 43 43 THR THR A . n
158
+ A 1 44 ASN 44 44 44 ASN ASN A . n
159
+ A 1 45 ARG 45 45 45 ARG ARG A . n
160
+ A 1 46 ILE 46 46 46 ILE ILE A . n
161
+ A 1 47 LYS 47 47 47 LYS LYS A . n
162
+ A 1 48 GLU 48 48 48 GLU GLU A . n
163
+ A 1 49 LEU 49 49 49 LEU LEU A . n
164
+ A 1 50 GLU 50 50 50 GLU GLU A . n
165
+ A 1 51 ASP 51 51 51 ASP ASP A . n
166
+ A 1 52 TRP 52 52 52 TRP TRP A . n
167
+ A 1 53 LEU 53 53 53 LEU LEU A . n
168
+ A 1 54 TRP 54 54 54 TRP TRP A . n
169
+ A 1 55 GLY 55 55 55 GLY GLY A . n
170
+ A 1 56 GLU 56 56 56 GLU GLU A . n
171
+ A 1 57 SER 57 57 57 SER SER A . n
172
+ A 1 58 PRO 58 58 58 PRO PRO A . n
173
+ A 1 59 ILE 59 59 59 ILE ILE A . n
174
+ A 1 60 ALA 60 60 60 ALA ALA A . n
175
+ #
176
+ loop_
177
+ _chem_comp.id
178
+ _chem_comp.type
179
+ _chem_comp.mon_nstd_flag
180
+ _chem_comp.name
181
+ _chem_comp.pdbx_synonyms
182
+ _chem_comp.formula
183
+ _chem_comp.formula_weight
184
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
185
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
186
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
187
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
188
+ CYS "L-peptide linking" y CYSTEINE ? "C3 H7 N O2 S" 121.158
189
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
190
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
191
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
192
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
193
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
194
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
195
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
196
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
197
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
198
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
199
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
200
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
201
+ #
202
+ _struct_asym.id A
203
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
204
+ _struct_asym.pdbx_modified N
205
+ _struct_asym.entity_id 1
206
+ _struct_asym.details ?
207
+ #
208
+ _atom_sites.entry_id 2NR5_A
209
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
210
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
211
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
212
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
213
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
214
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
215
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
216
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
217
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
218
+ _atom_sites.fract_transf_vector[1] 0.00000
219
+ _atom_sites.fract_transf_vector[2] 0.00000
220
+ _atom_sites.fract_transf_vector[3] 0.00000
221
+ #
222
+ loop_
223
+ _pdbx_validate_rmsd_bond.id
224
+ _pdbx_validate_rmsd_bond.PDB_model_num
225
+ _pdbx_validate_rmsd_bond.auth_atom_id_1
226
+ _pdbx_validate_rmsd_bond.auth_asym_id_1
227
+ _pdbx_validate_rmsd_bond.auth_comp_id_1
228
+ _pdbx_validate_rmsd_bond.auth_seq_id_1
229
+ _pdbx_validate_rmsd_bond.PDB_ins_code_1
230
+ _pdbx_validate_rmsd_bond.label_alt_id_1
231
+ _pdbx_validate_rmsd_bond.auth_atom_id_2
232
+ _pdbx_validate_rmsd_bond.auth_asym_id_2
233
+ _pdbx_validate_rmsd_bond.auth_comp_id_2
234
+ _pdbx_validate_rmsd_bond.auth_seq_id_2
235
+ _pdbx_validate_rmsd_bond.PDB_ins_code_2
236
+ _pdbx_validate_rmsd_bond.label_alt_id_2
237
+ _pdbx_validate_rmsd_bond.bond_value
238
+ _pdbx_validate_rmsd_bond.bond_target_value
239
+ _pdbx_validate_rmsd_bond.bond_deviation
240
+ _pdbx_validate_rmsd_bond.bond_standard_deviation
241
+ _pdbx_validate_rmsd_bond.linker_flag
242
+ 1 1 CG A MET 1 ? ? SD A MET 1 ? ? 1.971 1.807 0.164 0.026 N
243
+ 2 1 CG A MET 14 ? ? SD A MET 14 ? ? 1.967 1.807 0.160 0.026 N
244
+ 3 1 CG A MET 36 ? ? SD A MET 36 ? ? 2.005 1.807 0.198 0.026 N
245
+ #
246
+ _pdbx_validate_torsion.id 1
247
+ _pdbx_validate_torsion.PDB_model_num 1
248
+ _pdbx_validate_torsion.auth_comp_id ASP
249
+ _pdbx_validate_torsion.auth_asym_id A
250
+ _pdbx_validate_torsion.auth_seq_id 35
251
+ _pdbx_validate_torsion.PDB_ins_code ?
252
+ _pdbx_validate_torsion.label_alt_id ?
253
+ _pdbx_validate_torsion.phi -39.02
254
+ _pdbx_validate_torsion.psi -70.71
255
+ #
256
+ _pdbx_validate_polymer_linkage.id 1
257
+ _pdbx_validate_polymer_linkage.PDB_model_num 1
258
+ _pdbx_validate_polymer_linkage.auth_atom_id_1 C
259
+ _pdbx_validate_polymer_linkage.auth_asym_id_1 A
260
+ _pdbx_validate_polymer_linkage.auth_comp_id_1 ASP
261
+ _pdbx_validate_polymer_linkage.auth_seq_id_1 33
262
+ _pdbx_validate_polymer_linkage.PDB_ins_code_1 ?
263
+ _pdbx_validate_polymer_linkage.label_alt_id_1 ?
264
+ _pdbx_validate_polymer_linkage.auth_atom_id_2 N
265
+ _pdbx_validate_polymer_linkage.auth_asym_id_2 A
266
+ _pdbx_validate_polymer_linkage.auth_comp_id_2 SER
267
+ _pdbx_validate_polymer_linkage.auth_seq_id_2 34
268
+ _pdbx_validate_polymer_linkage.PDB_ins_code_2 ?
269
+ _pdbx_validate_polymer_linkage.label_alt_id_2 ?
270
+ _pdbx_validate_polymer_linkage.dist 12.08
271
+ #
272
+ loop_
273
+ _atom_type.symbol
274
+ C
275
+ N
276
+ O
277
+ S
278
+ #
279
+ _entry.id 2NR5_A
280
+ #
281
+ loop_
282
+ _atom_site.group_PDB
283
+ _atom_site.id
284
+ _atom_site.type_symbol
285
+ _atom_site.label_atom_id
286
+ _atom_site.label_alt_id
287
+ _atom_site.label_comp_id
288
+ _atom_site.label_asym_id
289
+ _atom_site.label_entity_id
290
+ _atom_site.label_seq_id
291
+ _atom_site.pdbx_PDB_ins_code
292
+ _atom_site.Cartn_x
293
+ _atom_site.Cartn_y
294
+ _atom_site.Cartn_z
295
+ _atom_site.occupancy
296
+ _atom_site.B_iso_or_equiv
297
+ _atom_site.pdbx_formal_charge
298
+ _atom_site.auth_seq_id
299
+ _atom_site.auth_comp_id
300
+ _atom_site.auth_asym_id
301
+ _atom_site.auth_atom_id
302
+ _atom_site.pdbx_PDB_model_num
303
+ ATOM 1 N N . MET A 1 1 ? 53.163 29.508 42.515 1.00 55.74 ? 1 MET A N 1
304
+ ATOM 2 C CA . MET A 1 1 ? 54.411 30.296 42.347 1.00 54.40 ? 1 MET A CA 1
305
+ ATOM 3 C C . MET A 1 1 ? 54.161 31.775 42.596 1.00 51.77 ? 1 MET A C 1
306
+ ATOM 4 O O . MET A 1 1 ? 55.066 32.502 43.010 1.00 51.05 ? 1 MET A O 1
307
+ ATOM 5 C CB . MET A 1 1 ? 54.981 30.096 40.948 1.00 56.12 ? 1 MET A CB 1
308
+ ATOM 6 C CG . MET A 1 1 ? 56.417 30.592 40.793 1.00 60.15 ? 1 MET A CG 1
309
+ ATOM 7 S SD . MET A 1 1 ? 57.751 29.218 41.261 1.00 81.04 ? 1 MET A SD 1
310
+ ATOM 8 C CE . MET A 1 1 ? 56.824 28.299 42.738 1.00 75.39 ? 1 MET A CE 1
311
+ ATOM 9 N N . MET A 1 2 ? 52.939 32.231 42.331 1.00 48.36 ? 2 MET A N 1
312
+ ATOM 10 C CA . MET A 1 2 ? 52.558 33.582 42.738 1.00 46.08 ? 2 MET A CA 1
313
+ ATOM 11 C C . MET A 1 2 ? 52.758 33.749 44.239 1.00 41.73 ? 2 MET A C 1
314
+ ATOM 12 O O . MET A 1 2 ? 52.629 32.791 45.006 1.00 41.88 ? 2 MET A O 1
315
+ ATOM 13 C CB . MET A 1 2 ? 51.089 33.862 42.424 1.00 46.21 ? 2 MET A CB 1
316
+ ATOM 14 C CG . MET A 1 2 ? 50.806 34.056 40.978 1.00 46.94 ? 2 MET A CG 1
317
+ ATOM 15 S SD . MET A 1 2 ? 48.979 34.692 40.791 0.60 48.89 ? 2 MET A SD 1
318
+ ATOM 16 C CE . MET A 1 2 ? 48.727 34.185 38.923 1.00 49.35 ? 2 MET A CE 1
319
+ ATOM 17 N N . THR A 1 3 ? 53.046 34.977 44.643 1.00 37.05 ? 3 THR A N 1
320
+ ATOM 18 C CA . THR A 1 3 ? 53.022 35.334 46.044 1.00 33.69 ? 3 THR A CA 1
321
+ ATOM 19 C C . THR A 1 3 ? 51.598 35.266 46.578 1.00 32.80 ? 3 THR A C 1
322
+ ATOM 20 O O . THR A 1 3 ? 50.630 35.339 45.799 1.00 30.55 ? 3 THR A O 1
323
+ ATOM 21 C CB . THR A 1 3 ? 53.607 36.732 46.274 1.00 33.29 ? 3 THR A CB 1
324
+ ATOM 22 O OG1 . THR A 1 3 ? 52.847 37.718 45.557 1.00 29.77 ? 3 THR A OG1 1
325
+ ATOM 23 C CG2 . THR A 1 3 ? 55.082 36.741 45.812 1.00 31.78 ? 3 THR A CG2 1
326
+ ATOM 24 N N . LYS A 1 4 ? 51.488 35.091 47.895 1.00 30.72 ? 4 LYS A N 1
327
+ ATOM 25 C CA . LYS A 1 4 ? 50.216 35.151 48.577 1.00 29.95 ? 4 LYS A CA 1
328
+ ATOM 26 C C . LYS A 1 4 ? 49.516 36.461 48.231 1.00 29.65 ? 4 LYS A C 1
329
+ ATOM 27 O O . LYS A 1 4 ? 48.347 36.444 47.892 1.00 28.37 ? 4 LYS A O 1
330
+ ATOM 28 C CB . LYS A 1 4 ? 50.386 35.044 50.104 1.00 30.45 ? 4 LYS A CB 1
331
+ ATOM 29 C CG . LYS A 1 4 ? 49.102 34.929 50.912 1.00 30.40 ? 4 LYS A CG 1
332
+ ATOM 30 C CD . LYS A 1 4 ? 48.324 33.694 50.463 1.00 31.20 ? 4 LYS A CD 1
333
+ ATOM 31 C CE . LYS A 1 4 ? 47.061 33.424 51.207 1.00 31.68 ? 4 LYS A CE 1
334
+ ATOM 32 N NZ . LYS A 1 4 ? 46.491 32.092 50.754 1.00 30.05 ? 4 LYS A NZ 1
335
+ ATOM 33 N N . LYS A 1 5 ? 50.218 37.593 48.297 1.00 29.17 ? 5 LYS A N 1
336
+ ATOM 34 C CA . LYS A 1 5 ? 49.549 38.888 48.074 1.00 29.36 ? 5 LYS A CA 1
337
+ ATOM 35 C C . LYS A 1 5 ? 48.936 38.953 46.669 1.00 27.27 ? 5 LYS A C 1
338
+ ATOM 36 O O . LYS A 1 5 ? 47.836 39.473 46.485 1.00 26.02 ? 5 LYS A O 1
339
+ ATOM 37 C CB . LYS A 1 5 ? 50.510 40.052 48.324 1.00 30.47 ? 5 LYS A CB 1
340
+ ATOM 38 C CG . LYS A 1 5 ? 49.949 41.449 48.144 1.00 32.16 ? 5 LYS A CG 1
341
+ ATOM 39 C CD . LYS A 1 5 ? 51.066 42.518 48.151 1.00 33.49 ? 5 LYS A CD 1
342
+ ATOM 40 C CE . LYS A 1 5 ? 50.510 43.954 47.945 1.00 36.39 ? 5 LYS A CE 1
343
+ ATOM 41 N NZ . LYS A 1 5 ? 50.044 44.196 46.559 1.00 40.80 ? 5 LYS A NZ 1
344
+ ATOM 42 N N . GLU A 1 6 ? 49.628 38.410 45.686 1.00 25.79 ? 6 GLU A N 1
345
+ ATOM 43 C CA . GLU A 1 6 ? 49.089 38.371 44.315 1.00 26.69 ? 6 GLU A CA 1
346
+ ATOM 44 C C . GLU A 1 6 ? 47.861 37.480 44.220 1.00 25.56 ? 6 GLU A C 1
347
+ ATOM 45 O O . GLU A 1 6 ? 46.868 37.854 43.589 1.00 24.17 ? 6 GLU A O 1
348
+ ATOM 46 C CB . GLU A 1 6 ? 50.118 37.830 43.350 1.00 26.48 ? 6 GLU A CB 1
349
+ ATOM 47 C CG . GLU A 1 6 ? 51.236 38.806 43.018 1.00 28.43 ? 6 GLU A CG 1
350
+ ATOM 48 C CD . GLU A 1 6 ? 52.366 38.074 42.315 1.00 29.45 ? 6 GLU A CD 1
351
+ ATOM 49 O OE1 . GLU A 1 6 ? 53.239 37.480 42.994 1.00 32.41 ? 6 GLU A OE1 1
352
+ ATOM 50 O OE2 . GLU A 1 6 ? 52.352 38.050 41.072 1.00 30.60 ? 6 GLU A OE2 1
353
+ ATOM 51 N N . ARG A 1 7 ? 47.944 36.297 44.838 1.00 25.75 ? 7 ARG A N 1
354
+ ATOM 52 C CA . ARG A 1 7 ? 46.825 35.334 44.872 1.00 25.20 ? 7 ARG A CA 1
355
+ ATOM 53 C C . ARG A 1 7 ? 45.576 35.997 45.539 1.00 23.90 ? 7 ARG A C 1
356
+ ATOM 54 O O . ARG A 1 7 ? 44.430 35.873 45.057 1.00 22.88 ? 7 ARG A O 1
357
+ ATOM 55 C CB . ARG A 1 7 ? 47.289 34.057 45.615 1.00 26.65 ? 7 ARG A CB 1
358
+ ATOM 56 C CG . ARG A 1 7 ? 46.797 32.684 45.132 1.00 29.18 ? 7 ARG A CG 1
359
+ ATOM 57 C CD . ARG A 1 7 ? 46.937 32.386 43.640 1.00 34.60 ? 7 ARG A CD 1
360
+ ATOM 58 N NE . ARG A 1 7 ? 47.839 31.302 43.220 1.00 35.16 ? 7 ARG A NE 1
361
+ ATOM 59 C CZ . ARG A 1 7 ? 47.727 30.005 43.537 1.00 38.99 ? 7 ARG A CZ 1
362
+ ATOM 60 N NH1 . ARG A 1 7 ? 46.789 29.569 44.365 1.00 40.61 ? 7 ARG A NH1 1
363
+ ATOM 61 N NH2 . ARG A 1 7 ? 48.608 29.132 43.059 1.00 39.72 ? 7 ARG A NH2 1
364
+ ATOM 62 N N . ILE A 1 8 ? 45.797 36.767 46.595 1.00 21.86 ? 8 ILE A N 1
365
+ ATOM 63 C CA . ILE A 1 8 ? 44.700 37.389 47.288 1.00 22.43 ? 8 ILE A CA 1
366
+ ATOM 64 C C . ILE A 1 8 ? 44.063 38.480 46.375 1.00 21.03 ? 8 ILE A C 1
367
+ ATOM 65 O O . ILE A 1 8 ? 42.851 38.655 46.387 1.00 19.80 ? 8 ILE A O 1
368
+ ATOM 66 C CB . ILE A 1 8 ? 45.165 37.994 48.640 1.00 22.08 ? 8 ILE A CB 1
369
+ ATOM 67 C CG1 . ILE A 1 8 ? 45.454 36.869 49.667 1.00 23.95 ? 8 ILE A CG1 1
370
+ ATOM 68 C CG2 . ILE A 1 8 ? 44.111 39.011 49.155 1.00 22.42 ? 8 ILE A CG2 1
371
+ ATOM 69 C CD1 . ILE A 1 8 ? 46.010 37.382 50.998 1.00 24.38 ? 8 ILE A CD1 1
372
+ ATOM 70 N N . ALA A 1 9 ? 44.875 39.198 45.587 1.00 19.79 ? 9 ALA A N 1
373
+ ATOM 71 C CA . ALA A 1 9 ? 44.321 40.229 44.695 1.00 19.64 ? 9 ALA A CA 1
374
+ ATOM 72 C C . ALA A 1 9 ? 43.418 39.559 43.677 1.00 19.51 ? 9 ALA A C 1
375
+ ATOM 73 O O . ALA A 1 9 ? 42.353 40.064 43.370 1.00 19.42 ? 9 ALA A O 1
376
+ ATOM 74 C CB . ALA A 1 9 ? 45.392 40.990 43.991 1.00 18.44 ? 9 ALA A CB 1
377
+ ATOM 75 N N . ILE A 1 10 ? 43.893 38.446 43.120 1.00 19.36 ? 10 ILE A N 1
378
+ ATOM 76 C CA . ILE A 1 10 ? 43.114 37.662 42.160 1.00 20.48 ? 10 ILE A CA 1
379
+ ATOM 77 C C . ILE A 1 10 ? 41.807 37.186 42.782 1.00 17.93 ? 10 ILE A C 1
380
+ ATOM 78 O O . ILE A 1 10 ? 40.736 37.271 42.165 1.00 18.72 ? 10 ILE A O 1
381
+ ATOM 79 C CB . ILE A 1 10 ? 43.968 36.487 41.553 1.00 20.64 ? 10 ILE A CB 1
382
+ ATOM 80 C CG1 . ILE A 1 10 ? 44.998 37.039 40.551 1.00 24.24 ? 10 ILE A CG1 1
383
+ ATOM 81 C CG2 . ILE A 1 10 ? 43.119 35.453 40.805 1.00 21.73 ? 10 ILE A CG2 1
384
+ ATOM 82 C CD1 . ILE A 1 10 ? 46.245 36.112 40.476 1.00 23.11 ? 10 ILE A CD1 1
385
+ ATOM 83 N N . GLN A 1 11 ? 41.884 36.647 43.990 1.00 17.11 ? 11 GLN A N 1
386
+ ATOM 84 C CA . GLN A 1 11 ? 40.716 36.200 44.687 1.00 16.99 ? 11 GLN A CA 1
387
+ ATOM 85 C C . GLN A 1 11 ? 39.724 37.355 44.922 1.00 17.01 ? 11 GLN A C 1
388
+ ATOM 86 O O . GLN A 1 11 ? 38.508 37.187 44.772 1.00 16.26 ? 11 GLN A O 1
389
+ ATOM 87 C CB . GLN A 1 11 ? 41.081 35.519 46.011 1.00 16.06 ? 11 GLN A CB 1
390
+ ATOM 88 C CG . GLN A 1 11 ? 41.689 34.170 45.856 1.00 17.21 ? 11 GLN A CG 1
391
+ ATOM 89 C CD . GLN A 1 11 ? 42.078 33.567 47.208 1.00 17.61 ? 11 GLN A CD 1
392
+ ATOM 90 O OE1 . GLN A 1 11 ? 42.720 34.234 48.056 1.00 17.75 ? 11 GLN A OE1 1
393
+ ATOM 91 N NE2 . GLN A 1 11 ? 41.641 32.341 47.432 1.00 17.47 ? 11 GLN A NE2 1
394
+ ATOM 92 N N . ARG A 1 12 ? 40.240 38.519 45.288 1.00 17.71 ? 12 ARG A N 1
395
+ ATOM 93 C CA . ARG A 1 12 ? 39.380 39.690 45.479 1.00 17.31 ? 12 ARG A CA 1
396
+ ATOM 94 C C . ARG A 1 12 ? 38.688 40.122 44.166 1.00 16.58 ? 12 ARG A C 1
397
+ ATOM 95 O O . ARG A 1 12 ? 37.507 40.498 44.201 1.00 15.35 ? 12 ARG A O 1
398
+ ATOM 96 C CB . ARG A 1 12 ? 40.173 40.845 46.087 1.00 17.92 ? 12 ARG A CB 1
399
+ ATOM 97 C CG . ARG A 1 12 ? 40.550 40.626 47.570 1.00 19.10 ? 12 ARG A CG 1
400
+ ATOM 98 C CD . ARG A 1 12 ? 41.619 41.682 48.048 1.00 22.18 ? 12 ARG A CD 1
401
+ ATOM 99 N NE . ARG A 1 12 ? 41.104 43.029 47.959 1.00 23.99 ? 12 ARG A NE 1
402
+ ATOM 100 C CZ . ARG A 1 12 ? 40.398 43.661 48.923 1.00 24.35 ? 12 ARG A CZ 1
403
+ ATOM 101 N NH1 . ARG A 1 12 ? 40.098 43.083 50.064 1.00 23.33 ? 12 ARG A NH1 1
404
+ ATOM 102 N NH2 . ARG A 1 12 ? 39.988 44.898 48.721 1.00 26.33 ? 12 ARG A NH2 1
405
+ ATOM 103 N N . SER A 1 13 ? 39.420 40.075 43.039 1.00 17.08 ? 13 SER A N 1
406
+ ATOM 104 C CA . SER A 1 13 ? 38.883 40.386 41.711 0.50 17.04 ? 13 SER A CA 1
407
+ ATOM 105 C C . SER A 1 13 ? 37.710 39.428 41.419 1.00 17.53 ? 13 SER A C 1
408
+ ATOM 106 O O . SER A 1 13 ? 36.616 39.846 41.037 1.00 16.63 ? 13 SER A O 1
409
+ ATOM 107 C CB . SER A 1 13 ? 40.032 40.256 40.680 0.50 17.27 ? 13 SER A CB 1
410
+ ATOM 108 O OG . SER A 1 13 ? 39.743 40.762 39.400 0.50 17.08 ? 13 SER A OG 1
411
+ ATOM 109 N N . MET A 1 14 ? 37.940 38.132 41.641 1.00 17.21 ? 14 MET A N 1
412
+ ATOM 110 C CA . MET A 1 14 ? 36.919 37.114 41.446 1.00 16.88 ? 14 MET A CA 1
413
+ ATOM 111 C C . MET A 1 14 ? 35.712 37.291 42.396 1.00 15.49 ? 14 MET A C 1
414
+ ATOM 112 O O . MET A 1 14 ? 34.549 37.045 42.008 1.00 15.38 ? 14 MET A O 1
415
+ ATOM 113 C CB . MET A 1 14 ? 37.536 35.713 41.603 1.00 17.54 ? 14 MET A CB 1
416
+ ATOM 114 C CG . MET A 1 14 ? 38.532 35.398 40.578 1.00 16.90 ? 14 MET A CG 1
417
+ ATOM 115 S SD . MET A 1 14 ? 39.620 33.841 41.088 0.70 22.33 ? 14 MET A SD 1
418
+ ATOM 116 C CE . MET A 1 14 ? 38.270 32.482 40.971 1.00 17.56 ? 14 MET A CE 1
419
+ ATOM 117 N N . ALA A 1 15 ? 35.972 37.739 43.631 1.00 15.49 ? 15 ALA A N 1
420
+ ATOM 118 C CA . ALA A 1 15 ? 34.896 37.979 44.587 1.00 15.17 ? 15 ALA A CA 1
421
+ ATOM 119 C C . ALA A 1 15 ? 33.952 39.105 44.082 1.00 15.09 ? 15 ALA A C 1
422
+ ATOM 120 O O . ALA A 1 15 ? 32.753 39.015 44.263 1.00 15.41 ? 15 ALA A O 1
423
+ ATOM 121 C CB . ALA A 1 15 ? 35.433 38.245 46.061 1.00 16.37 ? 15 ALA A CB 1
424
+ ATOM 122 N N . GLU A 1 16 ? 34.500 40.120 43.423 1.00 15.19 ? 16 GLU A N 1
425
+ ATOM 123 C CA . GLU A 1 16 ? 33.674 41.182 42.840 1.00 15.55 ? 16 GLU A CA 1
426
+ ATOM 124 C C . GLU A 1 16 ? 32.692 40.578 41.789 1.00 15.92 ? 16 GLU A C 1
427
+ ATOM 125 O O . GLU A 1 16 ? 31.533 41.015 41.684 1.00 15.64 ? 16 GLU A O 1
428
+ ATOM 126 C CB . GLU A 1 16 ? 34.545 42.294 42.234 1.00 14.09 ? 16 GLU A CB 1
429
+ ATOM 127 C CG . GLU A 1 16 ? 35.345 43.141 43.226 1.00 16.46 ? 16 GLU A CG 1
430
+ ATOM 128 C CD . GLU A 1 16 ? 34.517 44.116 44.048 1.00 18.61 ? 16 GLU A CD 1
431
+ ATOM 129 O OE1 . GLU A 1 16 ? 33.289 43.969 44.205 1.00 18.10 ? 16 GLU A OE1 1
432
+ ATOM 130 O OE2 . GLU A 1 16 ? 35.167 45.028 44.574 1.00 19.29 ? 16 GLU A OE2 1
433
+ ATOM 131 N N . GLU A 1 17 ? 33.178 39.610 41.005 1.00 16.63 ? 17 GLU A N 1
434
+ ATOM 132 C CA . GLU A 1 17 ? 32.379 38.923 39.981 1.00 17.50 ? 17 GLU A CA 1
435
+ ATOM 133 C C . GLU A 1 17 ? 31.292 38.034 40.622 1.00 16.26 ? 17 GLU A C 1
436
+ ATOM 134 O O . GLU A 1 17 ? 30.128 37.988 40.158 1.00 16.20 ? 17 GLU A O 1
437
+ ATOM 135 C CB . GLU A 1 17 ? 33.295 38.146 38.981 1.00 17.67 ? 17 GLU A CB 1
438
+ ATOM 136 C CG . GLU A 1 17 ? 34.303 39.048 38.253 1.00 20.75 ? 17 GLU A CG 1
439
+ ATOM 137 C CD . GLU A 1 17 ? 34.930 38.464 36.958 1.00 24.24 ? 17 GLU A CD 1
440
+ ATOM 138 O OE1 . GLU A 1 17 ? 34.228 37.824 36.144 1.00 30.32 ? 17 GLU A OE1 1
441
+ ATOM 139 O OE2 . GLU A 1 17 ? 36.126 38.747 36.713 1.00 33.00 ? 17 GLU A OE2 1
442
+ ATOM 140 N N . ALA A 1 18 ? 31.612 37.349 41.709 1.00 15.45 ? 18 ALA A N 1
443
+ ATOM 141 C CA . ALA A 1 18 ? 30.642 36.582 42.470 1.00 15.48 ? 18 ALA A CA 1
444
+ ATOM 142 C C . ALA A 1 18 ? 29.521 37.495 43.008 1.00 15.50 ? 18 ALA A C 1
445
+ ATOM 143 O O . ALA A 1 18 ? 28.363 37.199 42.880 1.00 14.97 ? 18 ALA A O 1
446
+ ATOM 144 C CB . ALA A 1 18 ? 31.293 35.826 43.653 1.00 15.64 ? 18 ALA A CB 1
447
+ ATOM 145 N N . LEU A 1 19 ? 29.919 38.598 43.611 1.00 16.50 ? 19 LEU A N 1
448
+ ATOM 146 C CA . LEU A 1 19 ? 28.997 39.598 44.098 1.00 15.47 ? 19 LEU A CA 1
449
+ ATOM 147 C C . LEU A 1 19 ? 28.128 40.157 42.951 1.00 16.03 ? 19 LEU A C 1
450
+ ATOM 148 O O . LEU A 1 19 ? 26.913 40.283 43.111 1.00 15.97 ? 19 LEU A O 1
451
+ ATOM 149 C CB . LEU A 1 19 ? 29.774 40.695 44.854 1.00 15.79 ? 19 LEU A CB 1
452
+ ATOM 150 C CG . LEU A 1 19 ? 30.346 40.424 46.244 1.00 16.68 ? 19 LEU A CG 1
453
+ ATOM 151 C CD1 . LEU A 1 19 ? 31.223 41.579 46.797 1.00 16.36 ? 19 LEU A CD1 1
454
+ ATOM 152 C CD2 . LEU A 1 19 ? 29.209 40.173 47.190 1.00 17.95 ? 19 LEU A CD2 1
455
+ ATOM 153 N N . GLY A 1 20 ? 28.744 40.468 41.812 1.00 14.62 ? 20 GLY A N 1
456
+ ATOM 154 C CA . GLY A 1 20 ? 28.015 40.886 40.620 1.00 15.82 ? 20 GLY A CA 1
457
+ ATOM 155 C C . GLY A 1 20 ? 26.907 39.916 40.238 1.00 16.48 ? 20 GLY A C 1
458
+ ATOM 156 O O . GLY A 1 20 ? 25.811 40.348 39.877 1.00 16.47 ? 20 GLY A O 1
459
+ ATOM 157 N N . LYS A 1 21 ? 27.167 38.602 40.326 1.00 16.09 ? 21 LYS A N 1
460
+ ATOM 158 C CA . LYS A 1 21 ? 26.200 37.603 39.883 1.00 16.40 ? 21 LYS A CA 1
461
+ ATOM 159 C C . LYS A 1 21 ? 25.055 37.554 40.903 1.00 16.80 ? 21 LYS A C 1
462
+ ATOM 160 O O . LYS A 1 21 ? 23.884 37.432 40.543 1.00 16.31 ? 21 LYS A O 1
463
+ ATOM 161 C CB . LYS A 1 21 ? 26.865 36.216 39.738 1.00 16.37 ? 21 LYS A CB 1
464
+ ATOM 162 C CG . LYS A 1 21 ? 25.954 35.096 39.205 1.00 18.37 ? 21 LYS A CG 1
465
+ ATOM 163 C CD . LYS A 1 21 ? 25.505 35.262 37.764 1.00 23.67 ? 21 LYS A CD 1
466
+ ATOM 164 C CE . LYS A 1 21 ? 26.553 34.980 36.729 1.00 26.67 ? 21 LYS A CE 1
467
+ ATOM 165 N NZ . LYS A 1 21 ? 25.917 35.048 35.359 1.00 28.05 ? 21 LYS A NZ 1
468
+ ATOM 166 N N . LEU A 1 22 ? 25.376 37.731 42.169 1.00 16.44 ? 22 LEU A N 1
469
+ ATOM 167 C CA . LEU A 1 22 ? 24.307 37.733 43.184 1.00 16.72 ? 22 LEU A CA 1
470
+ ATOM 168 C C . LEU A 1 22 ? 23.376 38.961 43.049 1.00 16.49 ? 22 LEU A C 1
471
+ ATOM 169 O O . LEU A 1 22 ? 22.129 38.879 43.225 1.00 17.31 ? 22 LEU A O 1
472
+ ATOM 170 C CB . LEU A 1 22 ? 24.906 37.660 44.578 1.00 16.61 ? 22 LEU A CB 1
473
+ ATOM 171 C CG . LEU A 1 22 ? 25.589 36.336 44.941 1.00 17.86 ? 22 LEU A CG 1
474
+ ATOM 172 C CD1 . LEU A 1 22 ? 26.370 36.475 46.233 1.00 18.00 ? 22 LEU A CD1 1
475
+ ATOM 173 C CD2 . LEU A 1 22 ? 24.551 35.195 44.974 1.00 15.30 ? 22 LEU A CD2 1
476
+ ATOM 174 N N . LYS A 1 23 ? 24.004 40.094 42.785 1.00 16.31 ? 23 LYS A N 1
477
+ ATOM 175 C CA . LYS A 1 23 ? 23.310 41.325 42.526 1.00 15.96 ? 23 LYS A CA 1
478
+ ATOM 176 C C . LYS A 1 23 ? 22.456 41.262 41.254 1.00 16.31 ? 23 LYS A C 1
479
+ ATOM 177 O O . LYS A 1 23 ? 21.299 41.722 41.236 1.00 16.64 ? 23 LYS A O 1
480
+ ATOM 178 C CB . LYS A 1 23 ? 24.300 42.472 42.499 1.00 15.61 ? 23 LYS A CB 1
481
+ ATOM 179 C CG . LYS A 1 23 ? 24.863 42.766 43.894 1.00 17.70 ? 23 LYS A CG 1
482
+ ATOM 180 C CD . LYS A 1 23 ? 25.934 43.820 43.866 1.00 17.18 ? 23 LYS A CD 1
483
+ ATOM 181 C CE . LYS A 1 23 ? 26.597 44.082 45.237 1.00 18.98 ? 23 LYS A CE 1
484
+ ATOM 182 N NZ . LYS A 1 23 ? 27.681 45.149 45.134 1.00 18.81 ? 23 LYS A NZ 1
485
+ ATOM 183 N N . ALA A 1 24 ? 22.971 40.582 40.232 1.00 14.08 ? 24 ALA A N 1
486
+ ATOM 184 C CA . ALA A 1 24 ? 22.180 40.254 39.041 1.00 14.89 ? 24 ALA A CA 1
487
+ ATOM 185 C C . ALA A 1 24 ? 20.914 39.445 39.334 1.00 15.71 ? 24 ALA A C 1
488
+ ATOM 186 O O . ALA A 1 24 ? 19.807 39.755 38.811 1.00 16.02 ? 24 ALA A O 1
489
+ ATOM 187 C CB . ALA A 1 24 ? 23.106 39.526 37.975 1.00 13.51 ? 24 ALA A CB 1
490
+ ATOM 188 N N . ILE A 1 25 ? 21.055 38.419 40.158 1.00 15.20 ? 25 ILE A N 1
491
+ ATOM 189 C CA . ILE A 1 25 ? 19.939 37.670 40.644 1.00 16.59 ? 25 ILE A CA 1
492
+ ATOM 190 C C . ILE A 1 25 ? 18.856 38.581 41.242 1.00 17.45 ? 25 ILE A C 1
493
+ ATOM 191 O O . ILE A 1 25 ? 17.707 38.501 40.830 1.00 17.64 ? 25 ILE A O 1
494
+ ATOM 192 C CB . ILE A 1 25 ? 20.367 36.632 41.697 1.00 16.09 ? 25 ILE A CB 1
495
+ ATOM 193 C CG1 . ILE A 1 25 ? 21.226 35.541 41.022 1.00 17.11 ? 25 ILE A CG1 1
496
+ ATOM 194 C CG2 . ILE A 1 25 ? 19.121 35.994 42.392 1.00 14.80 ? 25 ILE A CG2 1
497
+ ATOM 195 C CD1 . ILE A 1 25 ? 21.678 34.359 41.931 1.00 17.23 ? 25 ILE A CD1 1
498
+ ATOM 196 N N . ARG A 1 26 ? 19.254 39.426 42.190 1.00 17.19 ? 26 ARG A N 1
499
+ ATOM 197 C CA . ARG A 1 26 ? 18.364 40.361 42.856 1.00 17.48 ? 26 ARG A CA 1
500
+ ATOM 198 C C . ARG A 1 26 ? 17.535 41.205 41.879 1.00 17.52 ? 26 ARG A C 1
501
+ ATOM 199 O O . ARG A 1 26 ? 16.351 41.480 42.128 1.00 16.90 ? 26 ARG A O 1
502
+ ATOM 200 C CB . ARG A 1 26 ? 19.189 41.238 43.800 1.00 17.34 ? 26 ARG A CB 1
503
+ ATOM 201 C CG . ARG A 1 26 ? 18.404 42.348 44.474 1.00 17.25 ? 26 ARG A CG 1
504
+ ATOM 202 C CD . ARG A 1 26 ? 19.291 43.080 45.457 1.00 19.84 ? 26 ARG A CD 1
505
+ ATOM 203 N NE . ARG A 1 26 ? 18.682 44.310 45.940 1.00 19.06 ? 26 ARG A NE 1
506
+ ATOM 204 C CZ . ARG A 1 26 ? 18.571 45.431 45.223 1.00 21.73 ? 26 ARG A CZ 1
507
+ ATOM 205 N NH1 . ARG A 1 26 ? 18.008 46.506 45.782 1.00 22.26 ? 26 ARG A NH1 1
508
+ ATOM 206 N NH2 . ARG A 1 26 ? 19.030 45.511 43.978 1.00 20.29 ? 26 ARG A NH2 1
509
+ ATOM 207 N N . GLN A 1 27 ? 18.137 41.631 40.777 1.00 18.26 ? 27 GLN A N 1
510
+ ATOM 208 C CA . GLN A 1 27 ? 17.470 42.538 39.843 1.00 19.73 ? 27 GLN A CA 1
511
+ ATOM 209 C C . GLN A 1 27 ? 16.290 41.880 39.133 1.00 20.77 ? 27 GLN A C 1
512
+ ATOM 210 O O . GLN A 1 27 ? 15.414 42.584 38.611 1.00 19.62 ? 27 GLN A O 1
513
+ ATOM 211 C CB . GLN A 1 27 ? 18.447 43.108 38.816 1.00 18.65 ? 27 GLN A CB 1
514
+ ATOM 212 C CG . GLN A 1 27 ? 19.532 44.017 39.341 1.00 18.75 ? 27 GLN A CG 1
515
+ ATOM 213 C CD . GLN A 1 27 ? 18.994 45.358 39.816 1.00 19.43 ? 27 GLN A CD 1
516
+ ATOM 214 O OE1 . GLN A 1 27 ? 17.830 45.645 39.596 1.00 19.33 ? 27 GLN A OE1 1
517
+ ATOM 215 N NE2 . GLN A 1 27 ? 19.824 46.166 40.455 1.00 17.17 ? 27 GLN A NE2 1
518
+ ATOM 216 N N . LEU A 1 28 ? 16.238 40.548 39.147 1.00 21.54 ? 28 LEU A N 1
519
+ ATOM 217 C CA . LEU A 1 28 ? 15.191 39.766 38.489 1.00 22.78 ? 28 LEU A CA 1
520
+ ATOM 218 C C . LEU A 1 28 ? 13.899 39.580 39.300 1.00 24.17 ? 28 LEU A C 1
521
+ ATOM 219 O O . LEU A 1 28 ? 12.849 39.230 38.740 1.00 24.96 ? 28 LEU A O 1
522
+ ATOM 220 C CB . LEU A 1 28 ? 15.746 38.395 38.076 1.00 22.47 ? 28 LEU A CB 1
523
+ ATOM 221 C CG . LEU A 1 28 ? 16.751 38.463 36.927 1.00 21.59 ? 28 LEU A CG 1
524
+ ATOM 222 C CD1 . LEU A 1 28 ? 17.006 37.043 36.423 1.00 25.59 ? 28 LEU A CD1 1
525
+ ATOM 223 C CD2 . LEU A 1 28 ? 16.270 39.349 35.760 1.00 19.67 ? 28 LEU A CD2 1
526
+ ATOM 224 N N . CYS A 1 29 ? 13.974 39.851 40.595 1.00 24.64 ? 29 CYS A N 1
527
+ ATOM 225 C CA . CYS A 1 29 ? 12.822 39.786 41.466 1.00 25.98 ? 29 CYS A CA 1
528
+ ATOM 226 C C . CYS A 1 29 ? 11.605 40.569 40.933 1.00 27.09 ? 29 CYS A C 1
529
+ ATOM 227 O O . CYS A 1 29 ? 11.699 41.754 40.643 1.00 27.42 ? 29 CYS A O 1
530
+ ATOM 228 C CB . CYS A 1 29 ? 13.157 40.346 42.822 1.00 25.98 ? 29 CYS A CB 1
531
+ ATOM 229 S SG . CYS A 1 29 ? 14.303 39.332 43.815 1.00 22.69 ? 29 CYS A SG 1
532
+ ATOM 230 N N . GLY A 1 30 ? 10.468 39.885 40.854 1.00 28.68 ? 30 GLY A N 1
533
+ ATOM 231 C CA . GLY A 1 30 ? 9.225 40.493 40.371 1.00 30.67 ? 30 GLY A CA 1
534
+ ATOM 232 C C . GLY A 1 30 ? 9.222 40.877 38.906 1.00 31.96 ? 30 GLY A C 1
535
+ ATOM 233 O O . GLY A 1 30 ? 8.261 41.539 38.437 1.00 33.04 ? 30 GLY A O 1
536
+ ATOM 234 N N . ALA A 1 31 ? 10.252 40.470 38.152 1.00 33.03 ? 31 ALA A N 1
537
+ ATOM 235 C CA . ALA A 1 31 ? 10.345 40.867 36.727 1.00 34.16 ? 31 ALA A CA 1
538
+ ATOM 236 C C . ALA A 1 31 ? 9.025 40.548 35.994 1.00 35.33 ? 31 ALA A C 1
539
+ ATOM 237 O O . ALA A 1 31 ? 8.636 41.220 35.028 1.00 34.67 ? 31 ALA A O 1
540
+ ATOM 238 C CB . ALA A 1 31 ? 11.505 40.164 36.030 1.00 33.53 ? 31 ALA A CB 1
541
+ ATOM 239 N N . GLU A 1 32 ? 8.386 39.480 36.444 1.00 36.81 ? 32 GLU A N 1
542
+ ATOM 240 C CA . GLU A 1 32 ? 7.183 38.942 35.832 1.00 38.40 ? 32 GLU A CA 1
543
+ ATOM 241 C C . GLU A 1 32 ? 5.900 39.538 36.425 1.00 39.72 ? 32 GLU A C 1
544
+ ATOM 242 O O . GLU A 1 32 ? 4.811 39.205 35.966 1.00 40.78 ? 32 GLU A O 1
545
+ ATOM 243 C CB . GLU A 1 32 ? 7.157 37.411 36.014 1.00 38.47 ? 32 GLU A CB 1
546
+ ATOM 244 C CG . GLU A 1 32 ? 6.775 36.914 37.424 1.00 38.21 ? 32 GLU A CG 1
547
+ ATOM 245 C CD . GLU A 1 32 ? 7.863 37.102 38.504 1.00 38.11 ? 32 GLU A CD 1
548
+ ATOM 246 O OE1 . GLU A 1 32 ? 7.562 36.815 39.674 1.00 35.92 ? 32 GLU A OE1 1
549
+ ATOM 247 O OE2 . GLU A 1 32 ? 8.998 37.546 38.206 1.00 34.38 ? 32 GLU A OE2 1
550
+ ATOM 248 N N . ASP A 1 33 ? 6.024 40.371 37.458 1.00 40.92 ? 33 ASP A N 1
551
+ ATOM 249 C CA . ASP A 1 33 ? 4.865 41.052 38.046 1.00 41.61 ? 33 ASP A CA 1
552
+ ATOM 250 C C . ASP A 1 33 ? 4.576 42.271 37.203 1.00 41.52 ? 33 ASP A C 1
553
+ ATOM 251 O O . ASP A 1 33 ? 5.340 43.214 37.266 1.00 41.05 ? 33 ASP A O 1
554
+ ATOM 252 C CB . ASP A 1 33 ? 5.146 41.541 39.476 1.00 42.87 ? 33 ASP A CB 1
555
+ ATOM 253 C CG . ASP A 1 33 ? 5.166 40.430 40.491 1.00 45.63 ? 33 ASP A CG 1
556
+ ATOM 254 O OD1 . ASP A 1 33 ? 5.816 40.625 41.556 1.00 50.01 ? 33 ASP A OD1 1
557
+ ATOM 255 O OD2 . ASP A 1 33 ? 4.513 39.385 40.250 1.00 48.94 ? 33 ASP A OD2 1
558
+ ATOM 256 N N . SER A 1 34 ? 4.992 39.391 48.925 1.00 46.27 ? 34 SER A N 1
559
+ ATOM 257 C CA . SER A 1 34 ? 6.418 39.538 49.235 1.00 45.99 ? 34 SER A CA 1
560
+ ATOM 258 C C . SER A 1 34 ? 7.201 40.442 48.261 1.00 45.23 ? 34 SER A C 1
561
+ ATOM 259 O O . SER A 1 34 ? 8.394 40.590 48.450 1.00 45.93 ? 34 SER A O 1
562
+ ATOM 260 C CB . SER A 1 34 ? 7.092 38.146 49.301 1.00 46.63 ? 34 SER A CB 1
563
+ ATOM 261 O OG . SER A 1 34 ? 8.299 38.140 50.082 1.00 47.85 ? 34 SER A OG 1
564
+ ATOM 262 N N . ASP A 1 35 ? 6.550 41.068 47.264 1.00 44.67 ? 35 ASP A N 1
565
+ ATOM 263 C CA . ASP A 1 35 ? 7.299 41.756 46.175 1.00 42.97 ? 35 ASP A CA 1
566
+ ATOM 264 C C . ASP A 1 35 ? 8.567 42.513 46.642 1.00 41.24 ? 35 ASP A C 1
567
+ ATOM 265 O O . ASP A 1 35 ? 9.685 42.059 46.359 1.00 41.37 ? 35 ASP A O 1
568
+ ATOM 266 C CB . ASP A 1 35 ? 6.423 42.577 45.193 1.00 43.97 ? 35 ASP A CB 1
569
+ ATOM 267 C CG . ASP A 1 35 ? 5.628 43.702 45.846 1.00 47.99 ? 35 ASP A CG 1
570
+ ATOM 268 O OD1 . ASP A 1 35 ? 4.833 43.451 46.783 1.00 53.51 ? 35 ASP A OD1 1
571
+ ATOM 269 O OD2 . ASP A 1 35 ? 5.771 44.859 45.374 1.00 54.76 ? 35 ASP A OD2 1
572
+ ATOM 270 N N . MET A 1 36 ? 8.422 43.629 47.361 1.00 38.18 ? 36 MET A N 1
573
+ ATOM 271 C CA . MET A 1 36 ? 9.606 44.399 47.725 1.00 35.78 ? 36 MET A CA 1
574
+ ATOM 272 C C . MET A 1 36 ? 10.374 43.757 48.895 1.00 33.20 ? 36 MET A C 1
575
+ ATOM 273 O O . MET A 1 36 ? 11.576 43.953 48.992 1.00 29.75 ? 36 MET A O 1
576
+ ATOM 274 C CB . MET A 1 36 ? 9.288 45.889 47.951 1.00 36.26 ? 36 MET A CB 1
577
+ ATOM 275 C CG . MET A 1 36 ? 8.978 46.663 46.616 1.00 37.56 ? 36 MET A CG 1
578
+ ATOM 276 S SD . MET A 1 36 ? 10.444 46.603 45.249 0.60 39.37 ? 36 MET A SD 1
579
+ ATOM 277 C CE . MET A 1 36 ? 11.961 46.798 46.414 1.00 43.29 ? 36 MET A CE 1
580
+ ATOM 278 N N . GLN A 1 37 ? 9.714 42.958 49.748 1.00 30.84 ? 37 GLN A N 1
581
+ ATOM 279 C CA . GLN A 1 37 ? 10.457 42.245 50.803 1.00 31.23 ? 37 GLN A CA 1
582
+ ATOM 280 C C . GLN A 1 37 ? 11.371 41.158 50.203 1.00 28.59 ? 37 GLN A C 1
583
+ ATOM 281 O O . GLN A 1 37 ? 12.458 40.923 50.703 1.00 27.90 ? 37 GLN A O 1
584
+ ATOM 282 C CB . GLN A 1 37 ? 9.549 41.649 51.868 1.00 31.51 ? 37 GLN A CB 1
585
+ ATOM 283 C CG . GLN A 1 37 ? 8.852 42.743 52.769 1.00 33.64 ? 37 GLN A CG 1
586
+ ATOM 284 C CD . GLN A 1 37 ? 8.191 42.155 54.041 1.00 35.97 ? 37 GLN A CD 1
587
+ ATOM 285 O OE1 . GLN A 1 37 ? 8.337 40.959 54.333 1.00 39.87 ? 37 GLN A OE1 1
588
+ ATOM 286 N NE2 . GLN A 1 37 ? 7.487 43.010 54.815 1.00 37.26 ? 37 GLN A NE2 1
589
+ ATOM 287 N N . GLU A 1 38 ? 10.935 40.543 49.113 1.00 28.10 ? 38 GLU A N 1
590
+ ATOM 288 C CA . GLU A 1 38 ? 11.785 39.563 48.400 1.00 26.93 ? 38 GLU A CA 1
591
+ ATOM 289 C C . GLU A 1 38 ? 13.139 40.221 48.055 1.00 25.23 ? 38 GLU A C 1
592
+ ATOM 290 O O . GLU A 1 38 ? 14.201 39.699 48.352 1.00 24.47 ? 38 GLU A O 1
593
+ ATOM 291 C CB . GLU A 1 38 ? 11.109 39.118 47.107 1.00 27.47 ? 38 GLU A CB 1
594
+ ATOM 292 C CG . GLU A 1 38 ? 11.909 38.053 46.403 1.00 26.84 ? 38 GLU A CG 1
595
+ ATOM 293 C CD . GLU A 1 38 ? 11.191 37.410 45.243 1.00 28.72 ? 38 GLU A CD 1
596
+ ATOM 294 O OE1 . GLU A 1 38 ? 10.227 38.000 44.676 1.00 30.13 ? 38 GLU A OE1 1
597
+ ATOM 295 O OE2 . GLU A 1 38 ? 11.614 36.283 44.887 1.00 29.48 ? 38 GLU A OE2 1
598
+ ATOM 296 N N . VAL A 1 39 ? 13.060 41.385 47.442 1.00 23.54 ? 39 VAL A N 1
599
+ ATOM 297 C CA . VAL A 1 39 ? 14.239 42.147 47.030 1.00 22.89 ? 39 VAL A CA 1
600
+ ATOM 298 C C . VAL A 1 39 ? 15.086 42.489 48.264 1.00 22.87 ? 39 VAL A C 1
601
+ ATOM 299 O O . VAL A 1 39 ? 16.319 42.332 48.269 1.00 21.19 ? 39 VAL A O 1
602
+ ATOM 300 C CB . VAL A 1 39 ? 13.797 43.427 46.274 1.00 21.59 ? 39 VAL A CB 1
603
+ ATOM 301 C CG1 . VAL A 1 39 ? 14.983 44.412 46.030 1.00 20.58 ? 39 VAL A CG1 1
604
+ ATOM 302 C CG2 . VAL A 1 39 ? 13.078 43.039 44.977 1.00 24.08 ? 39 VAL A CG2 1
605
+ ATOM 303 N N . GLU A 1 40 ? 14.418 42.966 49.317 1.00 21.97 ? 40 GLU A N 1
606
+ ATOM 304 C CA . GLU A 1 40 ? 15.092 43.335 50.555 1.00 22.32 ? 40 GLU A CA 1
607
+ ATOM 305 C C . GLU A 1 40 ? 15.866 42.154 51.202 1.00 21.62 ? 40 GLU A C 1
608
+ ATOM 306 O O . GLU A 1 40 ? 16.932 42.343 51.781 1.00 21.66 ? 40 GLU A O 1
609
+ ATOM 307 C CB . GLU A 1 40 ? 14.042 43.867 51.552 1.00 22.37 ? 40 GLU A CB 1
610
+ ATOM 308 C CG . GLU A 1 40 ? 14.608 44.446 52.799 1.00 24.12 ? 40 GLU A CG 1
611
+ ATOM 309 C CD . GLU A 1 40 ? 13.509 44.975 53.759 1.00 24.73 ? 40 GLU A CD 1
612
+ ATOM 310 O OE1 . GLU A 1 40 ? 12.473 45.391 53.245 1.00 21.71 ? 40 GLU A OE1 1
613
+ ATOM 311 O OE2 . GLU A 1 40 ? 13.718 44.983 55.000 1.00 27.55 ? 40 GLU A OE2 1
614
+ ATOM 312 N N . ILE A 1 41 ? 15.296 40.968 51.120 1.00 21.96 ? 41 ILE A N 1
615
+ ATOM 313 C CA . ILE A 1 41 ? 15.949 39.745 51.606 1.00 21.81 ? 41 ILE A CA 1
616
+ ATOM 314 C C . ILE A 1 41 ? 17.311 39.535 50.882 1.00 20.43 ? 41 ILE A C 1
617
+ ATOM 315 O O . ILE A 1 41 ? 18.337 39.321 51.521 1.00 18.17 ? 41 ILE A O 1
618
+ ATOM 316 C CB . ILE A 1 41 ? 15.021 38.536 51.473 1.00 21.92 ? 41 ILE A CB 1
619
+ ATOM 317 C CG1 . ILE A 1 41 ? 13.902 38.589 52.533 1.00 23.73 ? 41 ILE A CG1 1
620
+ ATOM 318 C CG2 . ILE A 1 41 ? 15.780 37.248 51.746 1.00 22.25 ? 41 ILE A CG2 1
621
+ ATOM 319 C CD1 . ILE A 1 41 ? 12.606 37.800 52.212 1.00 23.33 ? 41 ILE A CD1 1
622
+ ATOM 320 N N . TRP A 1 42 ? 17.304 39.659 49.565 1.00 20.31 ? 42 TRP A N 1
623
+ ATOM 321 C CA . TRP A 1 42 ? 18.534 39.595 48.785 1.00 20.35 ? 42 TRP A CA 1
624
+ ATOM 322 C C . TRP A 1 42 ? 19.532 40.718 49.176 1.00 20.21 ? 42 TRP A C 1
625
+ ATOM 323 O O . TRP A 1 42 ? 20.735 40.460 49.377 1.00 18.17 ? 42 TRP A O 1
626
+ ATOM 324 C CB . TRP A 1 42 ? 18.215 39.628 47.293 1.00 20.81 ? 42 TRP A CB 1
627
+ ATOM 325 C CG . TRP A 1 42 ? 17.699 38.335 46.760 1.00 19.23 ? 42 TRP A CG 1
628
+ ATOM 326 C CD1 . TRP A 1 42 ? 16.416 38.034 46.399 1.00 20.53 ? 42 TRP A CD1 1
629
+ ATOM 327 C CD2 . TRP A 1 42 ? 18.470 37.158 46.506 1.00 19.16 ? 42 TRP A CD2 1
630
+ ATOM 328 N NE1 . TRP A 1 42 ? 16.337 36.731 45.984 1.00 21.73 ? 42 TRP A NE1 1
631
+ ATOM 329 C CE2 . TRP A 1 42 ? 17.582 36.170 46.012 1.00 19.30 ? 42 TRP A CE2 1
632
+ ATOM 330 C CE3 . TRP A 1 42 ? 19.812 36.839 46.674 1.00 20.29 ? 42 TRP A CE3 1
633
+ ATOM 331 C CZ2 . TRP A 1 42 ? 18.004 34.866 45.672 1.00 21.08 ? 42 TRP A CZ2 1
634
+ ATOM 332 C CZ3 . TRP A 1 42 ? 20.248 35.517 46.312 1.00 20.58 ? 42 TRP A CZ3 1
635
+ ATOM 333 C CH2 . TRP A 1 42 ? 19.339 34.568 45.841 1.00 20.49 ? 42 TRP A CH2 1
636
+ ATOM 334 N N . THR A 1 43 ? 19.056 41.967 49.255 1.00 19.37 ? 43 THR A N 1
637
+ ATOM 335 C CA . THR A 1 43 ? 19.906 43.085 49.664 1.00 19.96 ? 43 THR A CA 1
638
+ ATOM 336 C C . THR A 1 43 ? 20.666 42.753 50.954 1.00 20.32 ? 43 THR A C 1
639
+ ATOM 337 O O . THR A 1 43 ? 21.891 42.918 51.069 1.00 20.92 ? 43 THR A O 1
640
+ ATOM 338 C CB . THR A 1 43 ? 19.083 44.369 49.904 1.00 20.18 ? 43 THR A CB 1
641
+ ATOM 339 O OG1 . THR A 1 43 ? 18.371 44.719 48.719 1.00 21.93 ? 43 THR A OG1 1
642
+ ATOM 340 C CG2 . THR A 1 43 ? 19.964 45.506 50.302 1.00 21.77 ? 43 THR A CG2 1
643
+ ATOM 341 N N . ASN A 1 44 ? 19.904 42.301 51.923 1.00 21.43 ? 44 ASN A N 1
644
+ ATOM 342 C CA . ASN A 1 44 ? 20.393 42.036 53.267 1.00 22.21 ? 44 ASN A CA 1
645
+ ATOM 343 C C . ASN A 1 44 ? 21.444 40.862 53.220 1.00 20.88 ? 44 ASN A C 1
646
+ ATOM 344 O O . ASN A 1 44 ? 22.515 40.955 53.766 1.00 21.07 ? 44 ASN A O 1
647
+ ATOM 345 C CB . ASN A 1 44 ? 19.185 41.740 54.159 1.00 22.37 ? 44 ASN A CB 1
648
+ ATOM 346 C CG . ASN A 1 44 ? 18.308 43.036 54.490 1.00 25.90 ? 44 ASN A CG 1
649
+ ATOM 347 O OD1 . ASN A 1 44 ? 18.645 44.225 54.148 1.00 27.31 ? 44 ASN A OD1 1
650
+ ATOM 348 N ND2 . ASN A 1 44 ? 17.125 42.776 55.120 1.00 28.12 ? 44 ASN A ND2 1
651
+ ATOM 349 N N . ARG A 1 45 ? 21.154 39.800 52.499 1.00 20.62 ? 45 ARG A N 1
652
+ ATOM 350 C CA . ARG A 1 45 ? 22.102 38.688 52.388 1.00 20.98 ? 45 ARG A CA 1
653
+ ATOM 351 C C . ARG A 1 45 ? 23.405 39.024 51.599 1.00 20.28 ? 45 ARG A C 1
654
+ ATOM 352 O O . ARG A 1 45 ? 24.503 38.575 51.947 1.00 18.75 ? 45 ARG A O 1
655
+ ATOM 353 C CB . ARG A 1 45 ? 21.399 37.472 51.792 1.00 21.26 ? 45 ARG A CB 1
656
+ ATOM 354 C CG . ARG A 1 45 ? 22.117 36.189 52.035 1.00 25.42 ? 45 ARG A CG 1
657
+ ATOM 355 C CD . ARG A 1 45 ? 22.023 35.724 53.500 1.00 30.08 ? 45 ARG A CD 1
658
+ ATOM 356 N NE . ARG A 1 45 ? 22.868 34.539 53.657 1.00 32.13 ? 45 ARG A NE 1
659
+ ATOM 357 C CZ . ARG A 1 45 ? 24.198 34.570 53.557 1.00 34.92 ? 45 ARG A CZ 1
660
+ ATOM 358 N NH1 . ARG A 1 45 ? 24.847 35.753 53.369 1.00 34.17 ? 45 ARG A NH1 1
661
+ ATOM 359 N NH2 . ARG A 1 45 ? 24.890 33.431 53.681 1.00 30.31 ? 45 ARG A NH2 1
662
+ ATOM 360 N N . ILE A 1 46 ? 23.277 39.787 50.528 1.00 19.00 ? 46 ILE A N 1
663
+ ATOM 361 C CA . ILE A 1 46 ? 24.416 40.199 49.724 1.00 18.96 ? 46 ILE A CA 1
664
+ ATOM 362 C C . ILE A 1 46 ? 25.312 41.135 50.530 1.00 19.73 ? 46 ILE A C 1
665
+ ATOM 363 O O . ILE A 1 46 ? 26.531 40.963 50.595 1.00 18.56 ? 46 ILE A O 1
666
+ ATOM 364 C CB . ILE A 1 46 ? 23.944 40.849 48.356 1.00 17.15 ? 46 ILE A CB 1
667
+ ATOM 365 C CG1 . ILE A 1 46 ? 23.265 39.779 47.498 1.00 20.31 ? 46 ILE A CG1 1
668
+ ATOM 366 C CG2 . ILE A 1 46 ? 25.128 41.457 47.617 1.00 18.56 ? 46 ILE A CG2 1
669
+ ATOM 367 C CD1 . ILE A 1 46 ? 22.476 40.346 46.340 1.00 17.28 ? 46 ILE A CD1 1
670
+ ATOM 368 N N . LYS A 1 47 ? 24.689 42.078 51.222 1.00 21.19 ? 47 LYS A N 1
671
+ ATOM 369 C CA . LYS A 1 47 ? 25.419 42.969 52.101 1.00 21.70 ? 47 LYS A CA 1
672
+ ATOM 370 C C . LYS A 1 47 ? 26.186 42.206 53.197 1.00 21.33 ? 47 LYS A C 1
673
+ ATOM 371 O O . LYS A 1 47 ? 27.320 42.549 53.484 1.00 21.14 ? 47 LYS A O 1
674
+ ATOM 372 C CB . LYS A 1 47 ? 24.437 43.957 52.748 1.00 22.69 ? 47 LYS A CB 1
675
+ ATOM 373 C CG . LYS A 1 47 ? 25.046 44.867 53.807 1.00 24.65 ? 47 LYS A CG 1
676
+ ATOM 374 C CD . LYS A 1 47 ? 26.056 45.735 53.210 1.00 27.14 ? 47 LYS A CD 1
677
+ ATOM 375 C CE . LYS A 1 47 ? 26.202 47.058 54.017 1.00 31.32 ? 47 LYS A CE 1
678
+ ATOM 376 N NZ . LYS A 1 47 ? 27.112 46.926 55.132 1.00 30.87 ? 47 LYS A NZ 1
679
+ ATOM 377 N N . GLU A 1 48 ? 25.560 41.197 53.797 1.00 22.01 ? 48 GLU A N 1
680
+ ATOM 378 C CA . GLU A 1 48 ? 26.206 40.411 54.840 1.00 23.49 ? 48 GLU A CA 1
681
+ ATOM 379 C C . GLU A 1 48 ? 27.451 39.723 54.250 1.00 22.58 ? 48 GLU A C 1
682
+ ATOM 380 O O . GLU A 1 48 ? 28.544 39.759 54.834 1.00 22.46 ? 48 GLU A O 1
683
+ ATOM 381 C CB . GLU A 1 48 ? 25.224 39.374 55.335 1.00 24.12 ? 48 GLU A CB 1
684
+ ATOM 382 C CG . GLU A 1 48 ? 25.764 38.462 56.400 1.00 28.69 ? 48 GLU A CG 1
685
+ ATOM 383 C CD . GLU A 1 48 ? 24.711 37.476 56.828 1.00 30.58 ? 48 GLU A CD 1
686
+ ATOM 384 O OE1 . GLU A 1 48 ? 24.320 36.592 56.004 1.00 36.31 ? 48 GLU A OE1 1
687
+ ATOM 385 O OE2 . GLU A 1 48 ? 24.266 37.616 57.988 1.00 40.70 ? 48 GLU A OE2 1
688
+ ATOM 386 N N . LEU A 1 49 ? 27.302 39.179 53.041 1.00 21.70 ? 49 LEU A N 1
689
+ ATOM 387 C CA . LEU A 1 49 ? 28.446 38.553 52.363 1.00 21.81 ? 49 LEU A CA 1
690
+ ATOM 388 C C . LEU A 1 49 ? 29.542 39.540 51.988 1.00 21.37 ? 49 LEU A C 1
691
+ ATOM 389 O O . LEU A 1 49 ? 30.741 39.286 52.215 1.00 20.24 ? 49 LEU A O 1
692
+ ATOM 390 C CB . LEU A 1 49 ? 27.967 37.753 51.145 1.00 21.46 ? 49 LEU A CB 1
693
+ ATOM 391 C CG . LEU A 1 49 ? 29.084 37.080 50.322 1.00 21.60 ? 49 LEU A CG 1
694
+ ATOM 392 C CD1 . LEU A 1 49 ? 29.761 36.000 51.133 1.00 20.91 ? 49 LEU A CD1 1
695
+ ATOM 393 C CD2 . LEU A 1 49 ? 28.514 36.519 48.982 1.00 20.95 ? 49 LEU A CD2 1
696
+ ATOM 394 N N . GLU A 1 50 ? 29.154 40.677 51.409 1.00 20.81 ? 50 GLU A N 1
697
+ ATOM 395 C CA . GLU A 1 50 ? 30.106 41.714 51.050 1.00 23.93 ? 50 GLU A CA 1
698
+ ATOM 396 C C . GLU A 1 50 ? 30.857 42.222 52.304 1.00 23.99 ? 50 GLU A C 1
699
+ ATOM 397 O O . GLU A 1 50 ? 32.096 42.360 52.300 1.00 23.81 ? 50 GLU A O 1
700
+ ATOM 398 C CB . GLU A 1 50 ? 29.360 42.833 50.308 1.00 24.22 ? 50 GLU A CB 1
701
+ ATOM 399 C CG . GLU A 1 50 ? 30.154 43.718 49.418 1.00 28.81 ? 50 GLU A CG 1
702
+ ATOM 400 C CD . GLU A 1 50 ? 29.213 44.544 48.554 1.00 31.06 ? 50 GLU A CD 1
703
+ ATOM 401 O OE1 . GLU A 1 50 ? 28.341 45.258 49.136 1.00 36.59 ? 50 GLU A OE1 1
704
+ ATOM 402 O OE2 . GLU A 1 50 ? 29.300 44.449 47.318 1.00 37.18 ? 50 GLU A OE2 1
705
+ ATOM 403 N N . ASP A 1 51 ? 30.116 42.412 53.399 1.00 24.45 ? 51 ASP A N 1
706
+ ATOM 404 C CA . ASP A 1 51 ? 30.702 42.850 54.668 1.00 24.94 ? 51 ASP A CA 1
707
+ ATOM 405 C C . ASP A 1 51 ? 31.751 41.828 55.169 1.00 24.14 ? 51 ASP A C 1
708
+ ATOM 406 O O . ASP A 1 51 ? 32.823 42.209 55.649 1.00 25.77 ? 51 ASP A O 1
709
+ ATOM 407 C CB . ASP A 1 51 ? 29.631 42.980 55.757 1.00 24.74 ? 51 ASP A CB 1
710
+ ATOM 408 C CG . ASP A 1 51 ? 28.842 44.324 55.705 1.00 29.08 ? 51 ASP A CG 1
711
+ ATOM 409 O OD1 . ASP A 1 51 ? 29.165 45.239 54.910 1.00 30.13 ? 51 ASP A OD1 1
712
+ ATOM 410 O OD2 . ASP A 1 51 ? 27.862 44.397 56.480 1.00 33.05 ? 51 ASP A OD2 1
713
+ ATOM 411 N N . TRP A 1 52 ? 31.405 40.553 55.102 1.00 23.23 ? 52 TRP A N 1
714
+ ATOM 412 C CA . TRP A 1 52 ? 32.331 39.456 55.433 1.00 22.80 ? 52 TRP A CA 1
715
+ ATOM 413 C C . TRP A 1 52 ? 33.563 39.438 54.535 1.00 22.34 ? 52 TRP A C 1
716
+ ATOM 414 O O . TRP A 1 52 ? 34.711 39.442 55.018 1.00 20.82 ? 52 TRP A O 1
717
+ ATOM 415 C CB . TRP A 1 52 ? 31.602 38.103 55.369 1.00 23.18 ? 52 TRP A CB 1
718
+ ATOM 416 C CG . TRP A 1 52 ? 32.504 36.994 55.752 1.00 23.54 ? 52 TRP A CG 1
719
+ ATOM 417 C CD1 . TRP A 1 52 ? 32.859 36.636 57.016 1.00 25.93 ? 52 TRP A CD1 1
720
+ ATOM 418 C CD2 . TRP A 1 52 ? 33.227 36.134 54.863 1.00 22.57 ? 52 TRP A CD2 1
721
+ ATOM 419 N NE1 . TRP A 1 52 ? 33.753 35.590 56.974 1.00 27.34 ? 52 TRP A NE1 1
722
+ ATOM 420 C CE2 . TRP A 1 52 ? 33.985 35.243 55.669 1.00 25.17 ? 52 TRP A CE2 1
723
+ ATOM 421 C CE3 . TRP A 1 52 ? 33.264 35.989 53.475 1.00 23.20 ? 52 TRP A CE3 1
724
+ ATOM 422 C CZ2 . TRP A 1 52 ? 34.801 34.253 55.131 1.00 25.25 ? 52 TRP A CZ2 1
725
+ ATOM 423 C CZ3 . TRP A 1 52 ? 34.088 34.985 52.923 1.00 24.48 ? 52 TRP A CZ3 1
726
+ ATOM 424 C CH2 . TRP A 1 52 ? 34.841 34.129 53.753 1.00 23.68 ? 52 TRP A CH2 1
727
+ ATOM 425 N N . LEU A 1 53 ? 33.336 39.446 53.212 1.00 22.11 ? 53 LEU A N 1
728
+ ATOM 426 C CA . LEU A 1 53 ? 34.436 39.479 52.267 1.00 21.82 ? 53 LEU A CA 1
729
+ ATOM 427 C C . LEU A 1 53 ? 35.498 40.522 52.568 1.00 22.50 ? 53 LEU A C 1
730
+ ATOM 428 O O . LEU A 1 53 ? 36.703 40.204 52.576 1.00 22.29 ? 53 LEU A O 1
731
+ ATOM 429 C CB . LEU A 1 53 ? 33.952 39.646 50.812 1.00 21.03 ? 53 LEU A CB 1
732
+ ATOM 430 C CG . LEU A 1 53 ? 33.244 38.376 50.283 1.00 18.50 ? 53 LEU A CG 1
733
+ ATOM 431 C CD1 . LEU A 1 53 ? 32.325 38.687 49.023 1.00 19.57 ? 53 LEU A CD1 1
734
+ ATOM 432 C CD2 . LEU A 1 53 ? 34.262 37.257 49.928 1.00 18.58 ? 53 LEU A CD2 1
735
+ ATOM 433 N N . TRP A 1 54 ? 35.067 41.773 52.717 1.00 22.71 ? 54 TRP A N 1
736
+ ATOM 434 C CA . TRP A 1 54 ? 35.990 42.891 52.767 1.00 23.99 ? 54 TRP A CA 1
737
+ ATOM 435 C C . TRP A 1 54 ? 36.381 43.239 54.186 1.00 24.65 ? 54 TRP A C 1
738
+ ATOM 436 O O . TRP A 1 54 ? 37.308 44.010 54.374 1.00 24.44 ? 54 TRP A O 1
739
+ ATOM 437 C CB . TRP A 1 54 ? 35.438 44.150 52.081 1.00 24.12 ? 54 TRP A CB 1
740
+ ATOM 438 C CG . TRP A 1 54 ? 34.866 43.938 50.723 1.00 23.40 ? 54 TRP A CG 1
741
+ ATOM 439 C CD1 . TRP A 1 54 ? 33.636 44.386 50.251 1.00 23.22 ? 54 TRP A CD1 1
742
+ ATOM 440 C CD2 . TRP A 1 54 ? 35.460 43.197 49.670 1.00 21.92 ? 54 TRP A CD2 1
743
+ ATOM 441 N NE1 . TRP A 1 54 ? 33.471 43.989 48.948 1.00 23.92 ? 54 TRP A NE1 1
744
+ ATOM 442 C CE2 . TRP A 1 54 ? 34.570 43.261 48.561 1.00 24.04 ? 54 TRP A CE2 1
745
+ ATOM 443 C CE3 . TRP A 1 54 ? 36.678 42.500 49.527 1.00 22.54 ? 54 TRP A CE3 1
746
+ ATOM 444 C CZ2 . TRP A 1 54 ? 34.867 42.646 47.341 1.00 22.28 ? 54 TRP A CZ2 1
747
+ ATOM 445 C CZ3 . TRP A 1 54 ? 36.958 41.882 48.321 1.00 22.06 ? 54 TRP A CZ3 1
748
+ ATOM 446 C CH2 . TRP A 1 54 ? 36.054 41.967 47.241 1.00 22.06 ? 54 TRP A CH2 1
749
+ ATOM 447 N N . GLY A 1 55 ? 35.674 42.688 55.162 1.00 25.33 ? 55 GLY A N 1
750
+ ATOM 448 C CA . GLY A 1 55 ? 35.963 42.958 56.575 1.00 26.68 ? 55 GLY A CA 1
751
+ ATOM 449 C C . GLY A 1 55 ? 36.517 41.831 57.429 1.00 27.79 ? 55 GLY A C 1
752
+ ATOM 450 O O . GLY A 1 55 ? 37.303 42.111 58.335 1.00 28.36 ? 55 GLY A O 1
753
+ ATOM 451 N N . GLU A 1 56 ? 36.089 40.584 57.194 1.00 27.95 ? 56 GLU A N 1
754
+ ATOM 452 C CA . GLU A 1 56 ? 36.429 39.436 58.063 1.00 28.30 ? 56 GLU A CA 1
755
+ ATOM 453 C C . GLU A 1 56 ? 37.158 38.279 57.372 1.00 28.01 ? 56 GLU A C 1
756
+ ATOM 454 O O . GLU A 1 56 ? 37.875 37.490 58.038 1.00 27.03 ? 56 GLU A O 1
757
+ ATOM 455 C CB . GLU A 1 56 ? 35.181 38.806 58.677 1.00 29.47 ? 56 GLU A CB 1
758
+ ATOM 456 C CG . GLU A 1 56 ? 34.238 39.745 59.515 1.00 35.48 ? 56 GLU A CG 1
759
+ ATOM 457 C CD . GLU A 1 56 ? 32.804 39.163 59.582 1.00 40.60 ? 56 GLU A CD 1
760
+ ATOM 458 O OE1 . GLU A 1 56 ? 32.612 38.157 60.294 1.00 44.52 ? 56 GLU A OE1 1
761
+ ATOM 459 O OE2 . GLU A 1 56 ? 31.876 39.675 58.887 1.00 44.81 ? 56 GLU A OE2 1
762
+ ATOM 460 N N . SER A 1 57 ? 36.934 38.131 56.066 1.00 26.01 ? 57 SER A N 1
763
+ ATOM 461 C CA . SER A 1 57 ? 37.393 36.959 55.319 1.00 24.65 ? 57 SER A CA 1
764
+ ATOM 462 C C . SER A 1 57 ? 38.915 36.878 55.150 1.00 23.08 ? 57 SER A C 1
765
+ ATOM 463 O O . SER A 1 57 ? 39.634 37.823 55.408 1.00 22.30 ? 57 SER A O 1
766
+ ATOM 464 C CB . SER A 1 57 ? 36.772 36.976 53.895 1.00 22.62 ? 57 SER A CB 1
767
+ ATOM 465 O OG . SER A 1 57 ? 37.510 37.838 53.043 1.00 21.34 ? 57 SER A OG 1
768
+ ATOM 466 N N . PRO A 1 58 ? 39.415 35.742 54.648 1.00 22.78 ? 58 PRO A N 1
769
+ ATOM 467 C CA . PRO A 1 58 ? 40.847 35.724 54.380 1.00 22.90 ? 58 PRO A CA 1
770
+ ATOM 468 C C . PRO A 1 58 ? 41.373 36.724 53.349 1.00 22.69 ? 58 PRO A C 1
771
+ ATOM 469 O O . PRO A 1 58 ? 42.590 37.005 53.308 1.00 23.41 ? 58 PRO A O 1
772
+ ATOM 470 C CB . PRO A 1 58 ? 41.108 34.297 53.944 1.00 22.59 ? 58 PRO A CB 1
773
+ ATOM 471 C CG . PRO A 1 58 ? 39.944 33.494 54.477 1.00 22.20 ? 58 PRO A CG 1
774
+ ATOM 472 C CD . PRO A 1 58 ? 38.784 34.423 54.452 1.00 23.14 ? 58 PRO A CD 1
775
+ ATOM 473 N N . ILE A 1 59 ? 40.477 37.286 52.532 1.00 21.21 ? 59 ILE A N 1
776
+ ATOM 474 C CA . ILE A 1 59 ? 40.916 38.259 51.552 1.00 21.60 ? 59 ILE A CA 1
777
+ ATOM 475 C C . ILE A 1 59 ? 40.628 39.726 51.952 1.00 22.73 ? 59 ILE A C 1
778
+ ATOM 476 O O . ILE A 1 59 ? 40.877 40.625 51.146 1.00 22.96 ? 59 ILE A O 1
779
+ ATOM 477 C CB . ILE A 1 59 ? 40.375 37.894 50.108 1.00 19.99 ? 59 ILE A CB 1
780
+ ATOM 478 C CG1 . ILE A 1 59 ? 38.855 37.948 50.071 1.00 21.78 ? 59 ILE A CG1 1
781
+ ATOM 479 C CG2 . ILE A 1 59 ? 40.899 36.486 49.685 1.00 18.56 ? 59 ILE A CG2 1
782
+ ATOM 480 C CD1 . ILE A 1 59 ? 38.274 37.691 48.636 1.00 21.44 ? 59 ILE A CD1 1
783
+ ATOM 481 N N . ALA A 1 60 ? 40.144 39.952 53.187 1.00 23.79 ? 60 ALA A N 1
784
+ ATOM 482 C CA . ALA A 1 60 ? 39.896 41.292 53.747 1.00 23.25 ? 60 ALA A CA 1
785
+ ATOM 483 C C . ALA A 1 60 ? 41.189 42.102 53.864 1.00 25.52 ? 60 ALA A C 1
786
+ ATOM 484 O O . ALA A 1 60 ? 41.142 43.328 53.798 1.00 25.72 ? 60 ALA A O 1
787
+ ATOM 485 C CB . ALA A 1 60 ? 39.151 41.205 55.130 1.00 23.28 ? 60 ALA A CB 1
788
+ ATOM 486 O OXT . ALA A 1 60 ? 42.320 41.585 53.926 1.00 26.23 ? 60 ALA A OXT 1
789
+ #
790
+ loop_
791
+ _pdbx_audit_revision_history.ordinal
792
+ _pdbx_audit_revision_history.data_content_type
793
+ _pdbx_audit_revision_history.major_revision
794
+ _pdbx_audit_revision_history.minor_revision
795
+ _pdbx_audit_revision_history.revision_date
796
+ 1 'Structure model' 1 0 2006-12-12
797
+ 2 'Structure model' 1 1 2008-05-01
798
+ 3 'Structure model' 1 2 2011-07-13
799
+ #
mmcifs/2NR7_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/2NRH_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/2NRJ_A.cif ADDED
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@@ -0,0 +1,1031 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_2NS0_A
2
+ #
3
+ _pdbx_database_status.entry_id 2NS0_A
4
+ _pdbx_database_status.status_code .
5
+ _pdbx_database_status.status_code_sf ?
6
+ _pdbx_database_status.status_code_mr ?
7
+ _pdbx_database_status.status_code_cs ?
8
+ _pdbx_database_status.recvd_initial_deposition_date ?
9
+ _pdbx_database_status.status_code_nmr_data ?
10
+ _pdbx_database_status.deposit_site ?
11
+ _pdbx_database_status.process_site ?
12
+ _pdbx_database_status.SG_entry ?
13
+ _pdbx_database_status.pdb_format_compatible Y
14
+ _pdbx_database_status.methods_development_category ?
15
+ #
16
+ _entity_poly.entity_id 1
17
+ _entity_poly.type "polypeptide(L)"
18
+ _entity_poly.nstd_linkage no
19
+ _entity_poly.nstd_monomer no
20
+ _entity_poly.pdbx_seq_one_letter_code
21
+ ;MTVSDRELEECIRALLDARADSASICPSDVARAVAPDDWRPLMEPVREAAGRLADAGEVEVTQKGAVVDPRSARGPIRIR
22
+ WTRTD
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;MTVSDRELEECIRALLDARADSASICPSDVARAVAPDDWRPLMEPVREAAGRLADAGEVEVTQKGAVVDPRSARGPIRIR
26
+ WTRTD
27
+ ;
28
+ _entity_poly.pdbx_strand_id A
29
+ _entity_poly.pdbx_target_identifier ?
30
+ #
31
+ loop_
32
+ _entity_poly_seq.entity_id
33
+ _entity_poly_seq.num
34
+ _entity_poly_seq.mon_id
35
+ _entity_poly_seq.hetero
36
+ 1 1 MET n
37
+ 1 2 THR n
38
+ 1 3 VAL n
39
+ 1 4 SER n
40
+ 1 5 ASP n
41
+ 1 6 ARG n
42
+ 1 7 GLU n
43
+ 1 8 LEU n
44
+ 1 9 GLU n
45
+ 1 10 GLU n
46
+ 1 11 CYS n
47
+ 1 12 ILE n
48
+ 1 13 ARG n
49
+ 1 14 ALA n
50
+ 1 15 LEU n
51
+ 1 16 LEU n
52
+ 1 17 ASP n
53
+ 1 18 ALA n
54
+ 1 19 ARG n
55
+ 1 20 ALA n
56
+ 1 21 ASP n
57
+ 1 22 SER n
58
+ 1 23 ALA n
59
+ 1 24 SER n
60
+ 1 25 ILE n
61
+ 1 26 CYS n
62
+ 1 27 PRO n
63
+ 1 28 SER n
64
+ 1 29 ASP n
65
+ 1 30 VAL n
66
+ 1 31 ALA n
67
+ 1 32 ARG n
68
+ 1 33 ALA n
69
+ 1 34 VAL n
70
+ 1 35 ALA n
71
+ 1 36 PRO n
72
+ 1 37 ASP n
73
+ 1 38 ASP n
74
+ 1 39 TRP n
75
+ 1 40 ARG n
76
+ 1 41 PRO n
77
+ 1 42 LEU n
78
+ 1 43 MET n
79
+ 1 44 GLU n
80
+ 1 45 PRO n
81
+ 1 46 VAL n
82
+ 1 47 ARG n
83
+ 1 48 GLU n
84
+ 1 49 ALA n
85
+ 1 50 ALA n
86
+ 1 51 GLY n
87
+ 1 52 ARG n
88
+ 1 53 LEU n
89
+ 1 54 ALA n
90
+ 1 55 ASP n
91
+ 1 56 ALA n
92
+ 1 57 GLY n
93
+ 1 58 GLU n
94
+ 1 59 VAL n
95
+ 1 60 GLU n
96
+ 1 61 VAL n
97
+ 1 62 THR n
98
+ 1 63 GLN n
99
+ 1 64 LYS n
100
+ 1 65 GLY n
101
+ 1 66 ALA n
102
+ 1 67 VAL n
103
+ 1 68 VAL n
104
+ 1 69 ASP n
105
+ 1 70 PRO n
106
+ 1 71 ARG n
107
+ 1 72 SER n
108
+ 1 73 ALA n
109
+ 1 74 ARG n
110
+ 1 75 GLY n
111
+ 1 76 PRO n
112
+ 1 77 ILE n
113
+ 1 78 ARG n
114
+ 1 79 ILE n
115
+ 1 80 ARG n
116
+ 1 81 TRP n
117
+ 1 82 THR n
118
+ 1 83 ARG n
119
+ 1 84 THR n
120
+ 1 85 ASP n
121
+ #
122
+ _entity.id 1
123
+ _entity.type polymer
124
+ _entity.src_method man
125
+ _entity.pdbx_description ?
126
+ _entity.formula_weight 9328.509
127
+ _entity.pdbx_number_of_molecules 1
128
+ _entity.pdbx_ec ?
129
+ _entity.pdbx_mutation ?
130
+ _entity.pdbx_fragment ?
131
+ _entity.details ?
132
+ #
133
+ loop_
134
+ _pdbx_poly_seq_scheme.asym_id
135
+ _pdbx_poly_seq_scheme.entity_id
136
+ _pdbx_poly_seq_scheme.seq_id
137
+ _pdbx_poly_seq_scheme.mon_id
138
+ _pdbx_poly_seq_scheme.ndb_seq_num
139
+ _pdbx_poly_seq_scheme.pdb_seq_num
140
+ _pdbx_poly_seq_scheme.auth_seq_num
141
+ _pdbx_poly_seq_scheme.pdb_mon_id
142
+ _pdbx_poly_seq_scheme.auth_mon_id
143
+ _pdbx_poly_seq_scheme.pdb_strand_id
144
+ _pdbx_poly_seq_scheme.pdb_ins_code
145
+ _pdbx_poly_seq_scheme.hetero
146
+ A 1 1 MET 1 1 1 MET MET A . n
147
+ A 1 2 THR 2 2 2 THR THR A . n
148
+ A 1 3 VAL 3 3 3 VAL VAL A . n
149
+ A 1 4 SER 4 4 4 SER SER A . n
150
+ A 1 5 ASP 5 5 5 ASP ASP A . n
151
+ A 1 6 ARG 6 6 6 ARG ARG A . n
152
+ A 1 7 GLU 7 7 7 GLU GLU A . n
153
+ A 1 8 LEU 8 8 8 LEU LEU A . n
154
+ A 1 9 GLU 9 9 9 GLU GLU A . n
155
+ A 1 10 GLU 10 10 10 GLU GLU A . n
156
+ A 1 11 CYS 11 11 11 CYS CYS A . n
157
+ A 1 12 ILE 12 12 12 ILE ILE A . n
158
+ A 1 13 ARG 13 13 13 ARG ARG A . n
159
+ A 1 14 ALA 14 14 14 ALA ALA A . n
160
+ A 1 15 LEU 15 15 15 LEU LEU A . n
161
+ A 1 16 LEU 16 16 16 LEU LEU A . n
162
+ A 1 17 ASP 17 17 17 ASP ASP A . n
163
+ A 1 18 ALA 18 18 18 ALA ALA A . n
164
+ A 1 19 ARG 19 19 19 ARG ARG A . n
165
+ A 1 20 ALA 20 20 20 ALA ALA A . n
166
+ A 1 21 ASP 21 21 21 ASP ASP A . n
167
+ A 1 22 SER 22 22 22 SER SER A . n
168
+ A 1 23 ALA 23 23 23 ALA ALA A . n
169
+ A 1 24 SER 24 24 24 SER SER A . n
170
+ A 1 25 ILE 25 25 25 ILE ILE A . n
171
+ A 1 26 CYS 26 26 26 CYS CYS A . n
172
+ A 1 27 PRO 27 27 27 PRO PRO A . n
173
+ A 1 28 SER 28 28 28 SER SER A . n
174
+ A 1 29 ASP 29 29 29 ASP ASP A . n
175
+ A 1 30 VAL 30 30 30 VAL VAL A . n
176
+ A 1 31 ALA 31 31 31 ALA ALA A . n
177
+ A 1 32 ARG 32 32 32 ARG ARG A . n
178
+ A 1 33 ALA 33 33 33 ALA ALA A . n
179
+ A 1 34 VAL 34 34 34 VAL VAL A . n
180
+ A 1 35 ALA 35 35 35 ALA ALA A . n
181
+ A 1 36 PRO 36 36 36 PRO PRO A . n
182
+ A 1 37 ASP 37 37 37 ASP ASP A . n
183
+ A 1 38 ASP 38 38 38 ASP ASP A . n
184
+ A 1 39 TRP 39 39 39 TRP TRP A . n
185
+ A 1 40 ARG 40 40 40 ARG ARG A . n
186
+ A 1 41 PRO 41 41 41 PRO PRO A . n
187
+ A 1 42 LEU 42 42 42 LEU LEU A . n
188
+ A 1 43 MET 43 43 43 MET MET A . n
189
+ A 1 44 GLU 44 44 44 GLU GLU A . n
190
+ A 1 45 PRO 45 45 45 PRO PRO A . n
191
+ A 1 46 VAL 46 46 46 VAL VAL A . n
192
+ A 1 47 ARG 47 47 47 ARG ARG A . n
193
+ A 1 48 GLU 48 48 48 GLU GLU A . n
194
+ A 1 49 ALA 49 49 49 ALA ALA A . n
195
+ A 1 50 ALA 50 50 50 ALA ALA A . n
196
+ A 1 51 GLY 51 51 51 GLY GLY A . n
197
+ A 1 52 ARG 52 52 52 ARG ARG A . n
198
+ A 1 53 LEU 53 53 53 LEU LEU A . n
199
+ A 1 54 ALA 54 54 54 ALA ALA A . n
200
+ A 1 55 ASP 55 55 55 ASP ASP A . n
201
+ A 1 56 ALA 56 56 56 ALA ALA A . n
202
+ A 1 57 GLY 57 57 57 GLY GLY A . n
203
+ A 1 58 GLU 58 58 58 GLU GLU A . n
204
+ A 1 59 VAL 59 59 59 VAL VAL A . n
205
+ A 1 60 GLU 60 60 60 GLU GLU A . n
206
+ A 1 61 VAL 61 61 61 VAL VAL A . n
207
+ A 1 62 THR 62 62 62 THR THR A . n
208
+ A 1 63 GLN 63 63 63 GLN GLN A . n
209
+ A 1 64 LYS 64 64 64 LYS LYS A . n
210
+ A 1 65 GLY 65 65 65 GLY GLY A . n
211
+ A 1 66 ALA 66 66 66 ALA ALA A . n
212
+ A 1 67 VAL 67 67 67 VAL VAL A . n
213
+ A 1 68 VAL 68 68 68 VAL VAL A . n
214
+ A 1 69 ASP 69 69 69 ASP ASP A . n
215
+ A 1 70 PRO 70 70 70 PRO PRO A . n
216
+ A 1 71 ARG 71 71 71 ARG ARG A . n
217
+ A 1 72 SER 72 72 72 SER SER A . n
218
+ A 1 73 ALA 73 73 73 ALA ALA A . n
219
+ A 1 74 ARG 74 74 74 ARG ARG A . n
220
+ A 1 75 GLY 75 75 75 GLY GLY A . n
221
+ A 1 76 PRO 76 76 76 PRO PRO A . n
222
+ A 1 77 ILE 77 77 77 ILE ILE A . n
223
+ A 1 78 ARG 78 78 78 ARG ARG A . n
224
+ A 1 79 ILE 79 79 79 ILE ILE A . n
225
+ A 1 80 ARG 80 80 80 ARG ARG A . n
226
+ A 1 81 TRP 81 81 81 TRP TRP A . n
227
+ A 1 82 THR 82 82 82 THR THR A . n
228
+ A 1 83 ARG 83 83 83 ARG ARG A . n
229
+ A 1 84 THR 84 84 84 THR THR A . n
230
+ A 1 85 ASP 85 85 85 ASP ASP A . n
231
+ #
232
+ loop_
233
+ _chem_comp.id
234
+ _chem_comp.type
235
+ _chem_comp.mon_nstd_flag
236
+ _chem_comp.name
237
+ _chem_comp.pdbx_synonyms
238
+ _chem_comp.formula
239
+ _chem_comp.formula_weight
240
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
241
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
242
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
243
+ CYS "L-peptide linking" y CYSTEINE ? "C3 H7 N O2 S" 121.158
244
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
245
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
246
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
247
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
248
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
249
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
250
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
251
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
252
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
253
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
254
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
255
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
256
+ #
257
+ _struct_asym.id A
258
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
259
+ _struct_asym.pdbx_modified N
260
+ _struct_asym.entity_id 1
261
+ _struct_asym.details ?
262
+ #
263
+ _atom_sites.entry_id 2NS0_A
264
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
265
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
266
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
267
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
268
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
269
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
270
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
271
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
272
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
273
+ _atom_sites.fract_transf_vector[1] 0.00000
274
+ _atom_sites.fract_transf_vector[2] 0.00000
275
+ _atom_sites.fract_transf_vector[3] 0.00000
276
+ #
277
+ loop_
278
+ _pdbx_validate_rmsd_bond.id
279
+ _pdbx_validate_rmsd_bond.PDB_model_num
280
+ _pdbx_validate_rmsd_bond.auth_atom_id_1
281
+ _pdbx_validate_rmsd_bond.auth_asym_id_1
282
+ _pdbx_validate_rmsd_bond.auth_comp_id_1
283
+ _pdbx_validate_rmsd_bond.auth_seq_id_1
284
+ _pdbx_validate_rmsd_bond.PDB_ins_code_1
285
+ _pdbx_validate_rmsd_bond.label_alt_id_1
286
+ _pdbx_validate_rmsd_bond.auth_atom_id_2
287
+ _pdbx_validate_rmsd_bond.auth_asym_id_2
288
+ _pdbx_validate_rmsd_bond.auth_comp_id_2
289
+ _pdbx_validate_rmsd_bond.auth_seq_id_2
290
+ _pdbx_validate_rmsd_bond.PDB_ins_code_2
291
+ _pdbx_validate_rmsd_bond.label_alt_id_2
292
+ _pdbx_validate_rmsd_bond.bond_value
293
+ _pdbx_validate_rmsd_bond.bond_target_value
294
+ _pdbx_validate_rmsd_bond.bond_deviation
295
+ _pdbx_validate_rmsd_bond.bond_standard_deviation
296
+ _pdbx_validate_rmsd_bond.linker_flag
297
+ 1 1 CG A MET 1 ? ? SD A MET 1 ? ? 2.013 1.807 0.206 0.026 N
298
+ 2 1 CG A MET 43 ? ? SD A MET 43 ? ? 1.991 1.807 0.184 0.026 N
299
+ #
300
+ _pdbx_validate_rmsd_angle.id 1
301
+ _pdbx_validate_rmsd_angle.PDB_model_num 1
302
+ _pdbx_validate_rmsd_angle.auth_atom_id_1 NE
303
+ _pdbx_validate_rmsd_angle.auth_asym_id_1 A
304
+ _pdbx_validate_rmsd_angle.auth_comp_id_1 ARG
305
+ _pdbx_validate_rmsd_angle.auth_seq_id_1 80
306
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1 ?
307
+ _pdbx_validate_rmsd_angle.label_alt_id_1 ?
308
+ _pdbx_validate_rmsd_angle.auth_atom_id_2 CZ
309
+ _pdbx_validate_rmsd_angle.auth_asym_id_2 A
310
+ _pdbx_validate_rmsd_angle.auth_comp_id_2 ARG
311
+ _pdbx_validate_rmsd_angle.auth_seq_id_2 80
312
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2 ?
313
+ _pdbx_validate_rmsd_angle.label_alt_id_2 ?
314
+ _pdbx_validate_rmsd_angle.auth_atom_id_3 NH2
315
+ _pdbx_validate_rmsd_angle.auth_asym_id_3 A
316
+ _pdbx_validate_rmsd_angle.auth_comp_id_3 ARG
317
+ _pdbx_validate_rmsd_angle.auth_seq_id_3 80
318
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3 ?
319
+ _pdbx_validate_rmsd_angle.label_alt_id_3 ?
320
+ _pdbx_validate_rmsd_angle.angle_value 117.03
321
+ _pdbx_validate_rmsd_angle.angle_target_value 120.30
322
+ _pdbx_validate_rmsd_angle.angle_deviation -3.27
323
+ _pdbx_validate_rmsd_angle.angle_standard_deviation 0.50
324
+ _pdbx_validate_rmsd_angle.linker_flag N
325
+ #
326
+ loop_
327
+ _pdbx_validate_torsion.id
328
+ _pdbx_validate_torsion.PDB_model_num
329
+ _pdbx_validate_torsion.auth_comp_id
330
+ _pdbx_validate_torsion.auth_asym_id
331
+ _pdbx_validate_torsion.auth_seq_id
332
+ _pdbx_validate_torsion.PDB_ins_code
333
+ _pdbx_validate_torsion.label_alt_id
334
+ _pdbx_validate_torsion.phi
335
+ _pdbx_validate_torsion.psi
336
+ 1 1 SER A 22 ? ? 70.88 -12.84
337
+ 2 1 ASP A 38 ? ? -171.22 79.22
338
+ #
339
+ loop_
340
+ _atom_type.symbol
341
+ C
342
+ N
343
+ O
344
+ S
345
+ #
346
+ _entry.id 2NS0_A
347
+ #
348
+ loop_
349
+ _atom_site.group_PDB
350
+ _atom_site.id
351
+ _atom_site.type_symbol
352
+ _atom_site.label_atom_id
353
+ _atom_site.label_alt_id
354
+ _atom_site.label_comp_id
355
+ _atom_site.label_asym_id
356
+ _atom_site.label_entity_id
357
+ _atom_site.label_seq_id
358
+ _atom_site.pdbx_PDB_ins_code
359
+ _atom_site.Cartn_x
360
+ _atom_site.Cartn_y
361
+ _atom_site.Cartn_z
362
+ _atom_site.occupancy
363
+ _atom_site.B_iso_or_equiv
364
+ _atom_site.pdbx_formal_charge
365
+ _atom_site.auth_seq_id
366
+ _atom_site.auth_comp_id
367
+ _atom_site.auth_asym_id
368
+ _atom_site.auth_atom_id
369
+ _atom_site.pdbx_PDB_model_num
370
+ ATOM 1 N N . MET A 1 1 ? 34.660 35.482 20.373 1.00 31.44 ? 1 MET A N 1
371
+ ATOM 2 C CA . MET A 1 1 ? 34.169 35.818 18.988 1.00 33.44 ? 1 MET A CA 1
372
+ ATOM 3 C C . MET A 1 1 ? 33.891 37.310 18.820 1.00 29.72 ? 1 MET A C 1
373
+ ATOM 4 O O . MET A 1 1 ? 34.435 37.945 17.923 1.00 28.86 ? 1 MET A O 1
374
+ ATOM 5 C CB . MET A 1 1 ? 32.909 35.035 18.610 1.00 33.12 ? 1 MET A CB 1
375
+ ATOM 6 C CG . MET A 1 1 ? 33.142 33.724 17.883 1.00 36.04 ? 1 MET A CG 1
376
+ ATOM 7 S SD . MET A 1 1 ? 31.596 33.154 16.726 1.00 44.78 ? 1 MET A SD 1
377
+ ATOM 8 C CE . MET A 1 1 ? 31.766 34.406 15.217 0.50 42.36 ? 1 MET A CE 1
378
+ ATOM 9 N N . THR A 1 2 ? 33.047 37.874 19.681 1.00 27.01 ? 2 THR A N 1
379
+ ATOM 10 C CA . THR A 1 2 ? 32.728 39.297 19.591 1.00 24.62 ? 2 THR A CA 1
380
+ ATOM 11 C C . THR A 1 2 ? 33.248 40.112 20.777 1.00 23.16 ? 2 THR A C 1
381
+ ATOM 12 O O . THR A 1 2 ? 33.415 41.331 20.670 1.00 21.48 ? 2 THR A O 1
382
+ ATOM 13 C CB . THR A 1 2 ? 31.205 39.526 19.409 1.00 24.94 ? 2 THR A CB 1
383
+ ATOM 14 O OG1 . THR A 1 2 ? 30.491 38.962 20.512 1.00 23.78 ? 2 THR A OG1 1
384
+ ATOM 15 C CG2 . THR A 1 2 ? 30.719 38.895 18.108 1.00 25.26 ? 2 THR A CG2 1
385
+ ATOM 16 N N . VAL A 1 3 ? 33.475 39.430 21.908 1.00 22.12 ? 3 VAL A N 1
386
+ ATOM 17 C CA . VAL A 1 3 ? 33.960 40.052 23.163 1.00 21.25 ? 3 VAL A CA 1
387
+ ATOM 18 C C . VAL A 1 3 ? 35.053 39.164 23.778 1.00 20.82 ? 3 VAL A C 1
388
+ ATOM 19 O O . VAL A 1 3 ? 34.908 37.960 23.824 1.00 21.48 ? 3 VAL A O 1
389
+ ATOM 20 C CB . VAL A 1 3 ? 32.810 40.328 24.214 1.00 20.99 ? 3 VAL A CB 1
390
+ ATOM 21 C CG1 . VAL A 1 3 ? 33.264 41.283 25.254 1.00 21.11 ? 3 VAL A CG1 1
391
+ ATOM 22 C CG2 . VAL A 1 3 ? 31.559 40.931 23.581 1.00 20.58 ? 3 VAL A CG2 1
392
+ ATOM 23 N N . SER A 1 4 ? 36.167 39.750 24.200 1.00 21.04 ? 4 SER A N 1
393
+ ATOM 24 C CA . SER A 1 4 ? 37.258 38.976 24.847 1.00 20.13 ? 4 SER A CA 1
394
+ ATOM 25 C C . SER A 1 4 ? 36.935 38.740 26.304 1.00 20.69 ? 4 SER A C 1
395
+ ATOM 26 O O . SER A 1 4 ? 36.162 39.492 26.901 1.00 20.46 ? 4 SER A O 1
396
+ ATOM 27 C CB . SER A 1 4 ? 38.597 39.711 24.730 1.00 19.68 ? 4 SER A CB 1
397
+ ATOM 28 O OG . SER A 1 4 ? 38.551 40.900 25.499 1.00 17.92 ? 4 SER A OG 1
398
+ ATOM 29 N N . ASP A 1 5 ? 37.515 37.693 26.876 1.00 20.54 ? 5 ASP A N 1
399
+ ATOM 30 C CA . ASP A 1 5 ? 37.458 37.455 28.312 1.00 20.73 ? 5 ASP A CA 1
400
+ ATOM 31 C C . ASP A 1 5 ? 37.815 38.689 29.118 1.00 20.76 ? 5 ASP A C 1
401
+ ATOM 32 O O . ASP A 1 5 ? 37.104 39.046 30.050 1.00 20.76 ? 5 ASP A O 1
402
+ ATOM 33 C CB . ASP A 1 5 ? 38.440 36.360 28.678 1.00 20.35 ? 5 ASP A CB 1
403
+ ATOM 34 C CG . ASP A 1 5 ? 38.029 35.015 28.118 1.00 23.27 ? 5 ASP A CG 1
404
+ ATOM 35 O OD1 . ASP A 1 5 ? 36.910 34.965 27.533 1.00 23.87 ? 5 ASP A OD1 1
405
+ ATOM 36 O OD2 . ASP A 1 5 ? 38.829 34.028 28.261 1.00 24.11 ? 5 ASP A OD2 1
406
+ ATOM 37 N N . ARG A 1 6 ? 38.927 39.315 28.769 1.00 20.03 ? 6 ARG A N 1
407
+ ATOM 38 C CA . ARG A 1 6 ? 39.391 40.553 29.403 1.00 21.36 ? 6 ARG A CA 1
408
+ ATOM 39 C C . ARG A 1 6 ? 38.332 41.669 29.349 1.00 20.66 ? 6 ARG A C 1
409
+ ATOM 40 O O . ARG A 1 6 ? 38.112 42.387 30.323 1.00 20.24 ? 6 ARG A O 1
410
+ ATOM 41 C CB . ARG A 1 6 ? 40.675 41.020 28.720 1.00 22.95 ? 6 ARG A CB 1
411
+ ATOM 42 C CG . ARG A 1 6 ? 41.341 42.191 29.417 1.00 28.75 ? 6 ARG A CG 1
412
+ ATOM 43 C CD . ARG A 1 6 ? 42.844 42.270 29.084 1.00 37.09 ? 6 ARG A CD 1
413
+ ATOM 44 N NE . ARG A 1 6 ? 43.061 42.881 27.771 1.00 43.19 ? 6 ARG A NE 1
414
+ ATOM 45 C CZ . ARG A 1 6 ? 44.253 43.094 27.197 1.00 45.00 ? 6 ARG A CZ 1
415
+ ATOM 46 N NH1 . ARG A 1 6 ? 45.383 42.757 27.818 1.00 44.86 ? 6 ARG A NH1 1
416
+ ATOM 47 N NH2 . ARG A 1 6 ? 44.306 43.650 25.983 1.00 45.66 ? 6 ARG A NH2 1
417
+ ATOM 48 N N . GLU A 1 7 ? 37.678 41.833 28.206 1.00 20.00 ? 7 GLU A N 1
418
+ ATOM 49 C CA . GLU A 1 7 ? 36.644 42.845 28.076 1.00 19.73 ? 7 GLU A CA 1
419
+ ATOM 50 C C . GLU A 1 7 ? 35.481 42.617 29.049 1.00 18.77 ? 7 GLU A C 1
420
+ ATOM 51 O O . GLU A 1 7 ? 34.920 43.565 29.574 1.00 17.10 ? 7 GLU A O 1
421
+ ATOM 52 C CB . GLU A 1 7 ? 36.060 42.827 26.674 1.00 20.31 ? 7 GLU A CB 1
422
+ ATOM 53 C CG . GLU A 1 7 ? 36.620 43.762 25.645 1.00 26.67 ? 7 GLU A CG 1
423
+ ATOM 54 C CD . GLU A 1 7 ? 35.797 43.609 24.357 1.00 33.64 ? 7 GLU A CD 1
424
+ ATOM 55 O OE1 . GLU A 1 7 ? 34.644 44.171 24.309 1.00 37.18 ? 7 GLU A OE1 1
425
+ ATOM 56 O OE2 . GLU A 1 7 ? 36.254 42.858 23.455 1.00 30.03 ? 7 GLU A OE2 1
426
+ ATOM 57 N N . LEU A 1 8 ? 35.079 41.355 29.205 1.00 17.83 ? 8 LEU A N 1
427
+ ATOM 58 C CA . LEU A 1 8 ? 33.980 41.007 30.068 1.00 17.45 ? 8 LEU A CA 1
428
+ ATOM 59 C C . LEU A 1 8 ? 34.375 41.244 31.513 1.00 18.07 ? 8 LEU A C 1
429
+ ATOM 60 O O . LEU A 1 8 ? 33.570 41.764 32.304 1.00 16.47 ? 8 LEU A O 1
430
+ ATOM 61 C CB . LEU A 1 8 ? 33.567 39.551 29.868 1.00 17.58 ? 8 LEU A CB 1
431
+ ATOM 62 C CG . LEU A 1 8 ? 32.939 39.272 28.486 1.00 17.62 ? 8 LEU A CG 1
432
+ ATOM 63 C CD1 . LEU A 1 8 ? 32.639 37.792 28.225 1.00 16.00 ? 8 LEU A CD1 1
433
+ ATOM 64 C CD2 . LEU A 1 8 ? 31.673 40.063 28.382 1.00 16.79 ? 8 LEU A CD2 1
434
+ ATOM 65 N N . GLU A 1 9 ? 35.612 40.861 31.846 1.00 17.49 ? 9 GLU A N 1
435
+ ATOM 66 C CA . GLU A 1 9 ? 36.112 41.098 33.175 1.00 19.44 ? 9 GLU A CA 1
436
+ ATOM 67 C C . GLU A 1 9 ? 36.105 42.578 33.539 1.00 19.46 ? 9 GLU A C 1
437
+ ATOM 68 O O . GLU A 1 9 ? 35.695 42.941 34.641 1.00 19.54 ? 9 GLU A O 1
438
+ ATOM 69 C CB . GLU A 1 9 ? 37.473 40.430 33.389 1.00 18.72 ? 9 GLU A CB 1
439
+ ATOM 70 C CG . GLU A 1 9 ? 37.368 38.878 33.484 1.00 19.52 ? 9 GLU A CG 1
440
+ ATOM 71 C CD . GLU A 1 9 ? 38.719 38.182 33.261 1.00 22.84 ? 9 GLU A CD 1
441
+ ATOM 72 O OE1 . GLU A 1 9 ? 39.766 38.819 33.535 1.00 28.17 ? 9 GLU A OE1 1
442
+ ATOM 73 O OE2 . GLU A 1 9 ? 38.743 37.025 32.783 1.00 25.33 ? 9 GLU A OE2 1
443
+ ATOM 74 N N . GLU A 1 10 ? 36.565 43.415 32.617 1.00 19.87 ? 10 GLU A N 1
444
+ ATOM 75 C CA . GLU A 1 10 ? 36.663 44.874 32.811 1.00 20.38 ? 10 GLU A CA 1
445
+ ATOM 76 C C . GLU A 1 10 ? 35.291 45.480 32.929 1.00 19.81 ? 10 GLU A C 1
446
+ ATOM 77 O O . GLU A 1 10 ? 35.089 46.402 33.686 1.00 20.00 ? 10 GLU A O 1
447
+ ATOM 78 C CB . GLU A 1 10 ? 37.430 45.518 31.639 1.00 20.69 ? 10 GLU A CB 1
448
+ ATOM 79 C CG . GLU A 1 10 ? 37.136 47.025 31.390 1.00 23.39 ? 10 GLU A CG 1
449
+ ATOM 80 C CD . GLU A 1 10 ? 37.538 47.954 32.540 1.00 27.95 ? 10 GLU A CD 1
450
+ ATOM 81 O OE1 . GLU A 1 10 ? 38.089 47.460 33.547 1.00 31.47 ? 10 GLU A OE1 1
451
+ ATOM 82 O OE2 . GLU A 1 10 ? 37.304 49.201 32.437 1.00 29.97 ? 10 GLU A OE2 1
452
+ ATOM 83 N N . CYS A 1 11 ? 34.327 44.929 32.197 1.00 20.48 ? 11 CYS A N 1
453
+ ATOM 84 C CA . CYS A 1 11 ? 32.946 45.396 32.285 1.00 19.94 ? 11 CYS A CA 1
454
+ ATOM 85 C C . CYS A 1 11 ? 32.307 45.057 33.638 1.00 19.67 ? 11 CYS A C 1
455
+ ATOM 86 O O . CYS A 1 11 ? 31.636 45.917 34.207 1.00 20.50 ? 11 CYS A O 1
456
+ ATOM 87 C CB . CYS A 1 11 ? 32.108 44.845 31.137 1.00 19.83 ? 11 CYS A CB 1
457
+ ATOM 88 S SG . CYS A 1 11 ? 30.414 45.444 31.207 1.00 22.94 ? 11 CYS A SG 1
458
+ ATOM 89 N N . ILE A 1 12 ? 32.492 43.828 34.144 1.00 19.10 ? 12 ILE A N 1
459
+ ATOM 90 C CA . ILE A 1 12 ? 32.061 43.474 35.520 1.00 18.10 ? 12 ILE A CA 1
460
+ ATOM 91 C C . ILE A 1 12 ? 32.623 44.482 36.523 1.00 19.09 ? 12 ILE A C 1
461
+ ATOM 92 O O . ILE A 1 12 ? 31.874 45.030 37.369 1.00 18.73 ? 12 ILE A O 1
462
+ ATOM 93 C CB . ILE A 1 12 ? 32.459 42.026 35.926 1.00 18.93 ? 12 ILE A CB 1
463
+ ATOM 94 C CG1 . ILE A 1 12 ? 31.655 40.999 35.135 1.00 17.69 ? 12 ILE A CG1 1
464
+ ATOM 95 C CG2 . ILE A 1 12 ? 32.187 41.759 37.454 1.00 19.34 ? 12 ILE A CG2 1
465
+ ATOM 96 C CD1 . ILE A 1 12 ? 32.269 39.583 35.099 1.00 17.17 ? 12 ILE A CD1 1
466
+ ATOM 97 N N . ARG A 1 13 ? 33.927 44.760 36.427 1.00 18.59 ? 13 ARG A N 1
467
+ ATOM 98 C CA . ARG A 1 13 ? 34.585 45.705 37.377 1.00 19.53 ? 13 ARG A CA 1
468
+ ATOM 99 C C . ARG A 1 13 ? 34.012 47.097 37.232 1.00 19.27 ? 13 ARG A C 1
469
+ ATOM 100 O O . ARG A 1 13 ? 33.734 47.751 38.208 1.00 21.07 ? 13 ARG A O 1
470
+ ATOM 101 C CB . ARG A 1 13 ? 36.103 45.766 37.203 1.00 18.34 ? 13 ARG A CB 1
471
+ ATOM 102 C CG . ARG A 1 13 ? 36.786 44.487 37.634 1.00 19.83 ? 13 ARG A CG 1
472
+ ATOM 103 C CD . ARG A 1 13 ? 38.284 44.649 37.560 1.00 22.55 ? 13 ARG A CD 1
473
+ ATOM 104 N NE . ARG A 1 13 ? 38.993 43.401 37.785 1.00 20.59 ? 13 ARG A NE 1
474
+ ATOM 105 C CZ . ARG A 1 13 ? 39.764 42.801 36.890 1.00 24.79 ? 13 ARG A CZ 1
475
+ ATOM 106 N NH1 . ARG A 1 13 ? 39.886 43.310 35.681 1.00 29.39 ? 13 ARG A NH1 1
476
+ ATOM 107 N NH2 . ARG A 1 13 ? 40.413 41.680 37.195 1.00 23.86 ? 13 ARG A NH2 1
477
+ ATOM 108 N N . ALA A 1 14 ? 33.828 47.530 36.004 1.00 19.63 ? 14 ALA A N 1
478
+ ATOM 109 C CA . ALA A 1 14 ? 33.352 48.867 35.722 1.00 20.39 ? 14 ALA A CA 1
479
+ ATOM 110 C C . ALA A 1 14 ? 31.944 49.041 36.256 1.00 21.06 ? 14 ALA A C 1
480
+ ATOM 111 O O . ALA A 1 14 ? 31.639 50.092 36.835 1.00 20.98 ? 14 ALA A O 1
481
+ ATOM 112 C CB . ALA A 1 14 ? 33.367 49.132 34.225 1.00 20.66 ? 14 ALA A CB 1
482
+ ATOM 113 N N . LEU A 1 15 ? 31.066 48.052 36.023 1.00 20.31 ? 15 LEU A N 1
483
+ ATOM 114 C CA . LEU A 1 15 ? 29.684 48.174 36.510 1.00 20.47 ? 15 LEU A CA 1
484
+ ATOM 115 C C . LEU A 1 15 ? 29.642 48.114 38.040 1.00 20.27 ? 15 LEU A C 1
485
+ ATOM 116 O O . LEU A 1 15 ? 28.973 48.914 38.650 1.00 21.05 ? 15 LEU A O 1
486
+ ATOM 117 C CB . LEU A 1 15 ? 28.763 47.120 35.917 1.00 19.23 ? 15 LEU A CB 1
487
+ ATOM 118 C CG . LEU A 1 15 ? 28.521 47.196 34.399 1.00 21.33 ? 15 LEU A CG 1
488
+ ATOM 119 C CD1 . LEU A 1 15 ? 27.759 45.996 33.905 1.00 20.08 ? 15 LEU A CD1 1
489
+ ATOM 120 C CD2 . LEU A 1 15 ? 27.824 48.465 34.015 1.00 23.11 ? 15 LEU A CD2 1
490
+ ATOM 121 N N . LEU A 1 16 ? 30.375 47.188 38.653 1.00 20.61 ? 16 LEU A N 1
491
+ ATOM 122 C CA . LEU A 1 16 ? 30.392 47.081 40.123 1.00 21.09 ? 16 LEU A CA 1
492
+ ATOM 123 C C . LEU A 1 16 ? 30.954 48.336 40.721 1.00 21.80 ? 16 LEU A C 1
493
+ ATOM 124 O O . LEU A 1 16 ? 30.405 48.852 41.723 1.00 23.26 ? 16 LEU A O 1
494
+ ATOM 125 C CB . LEU A 1 16 ? 31.184 45.861 40.609 1.00 20.83 ? 16 LEU A CB 1
495
+ ATOM 126 C CG . LEU A 1 16 ? 30.467 44.525 40.445 1.00 19.27 ? 16 LEU A CG 1
496
+ ATOM 127 C CD1 . LEU A 1 16 ? 31.314 43.407 40.927 1.00 19.14 ? 16 LEU A CD1 1
497
+ ATOM 128 C CD2 . LEU A 1 16 ? 29.180 44.495 41.235 1.00 18.65 ? 16 LEU A CD2 1
498
+ ATOM 129 N N . ASP A 1 17 ? 32.057 48.805 40.130 1.00 21.91 ? 17 ASP A N 1
499
+ ATOM 130 C CA . ASP A 1 17 ? 32.742 50.008 40.602 1.00 23.31 ? 17 ASP A CA 1
500
+ ATOM 131 C C . ASP A 1 17 ? 31.778 51.196 40.639 1.00 23.30 ? 17 ASP A C 1
501
+ ATOM 132 O O . ASP A 1 17 ? 31.898 52.025 41.523 1.00 23.41 ? 17 ASP A O 1
502
+ ATOM 133 C CB . ASP A 1 17 ? 34.003 50.357 39.792 1.00 22.41 ? 17 ASP A CB 1
503
+ ATOM 134 C CG . ASP A 1 17 ? 34.882 51.336 40.503 1.00 26.73 ? 17 ASP A CG 1
504
+ ATOM 135 O OD1 . ASP A 1 17 ? 35.727 50.905 41.323 1.00 32.24 ? 17 ASP A OD1 1
505
+ ATOM 136 O OD2 . ASP A 1 17 ? 34.733 52.562 40.291 1.00 28.09 ? 17 ASP A OD2 1
506
+ ATOM 137 N N . ALA A 1 18 ? 30.825 51.287 39.718 1.00 22.72 ? 18 ALA A N 1
507
+ ATOM 138 C CA . ALA A 1 18 ? 29.927 52.448 39.685 1.00 22.62 ? 18 ALA A CA 1
508
+ ATOM 139 C C . ALA A 1 18 ? 28.800 52.376 40.742 1.00 22.56 ? 18 ALA A C 1
509
+ ATOM 140 O O . ALA A 1 18 ? 28.103 53.352 40.993 1.00 23.02 ? 18 ALA A O 1
510
+ ATOM 141 C CB . ALA A 1 18 ? 29.324 52.614 38.284 1.00 22.39 ? 18 ALA A CB 1
511
+ ATOM 142 N N . ARG A 1 19 ? 28.624 51.221 41.378 1.00 22.54 ? 19 ARG A N 1
512
+ ATOM 143 C CA . ARG A 1 19 ? 27.513 50.997 42.298 0.50 22.49 ? 19 ARG A CA 1
513
+ ATOM 144 C C . ARG A 1 19 ? 27.953 51.138 43.754 1.00 22.27 ? 19 ARG A C 1
514
+ ATOM 145 O O . ARG A 1 19 ? 29.166 51.102 44.043 1.00 22.67 ? 19 ARG A O 1
515
+ ATOM 146 C CB . ARG A 1 19 ? 26.915 49.622 42.035 0.50 22.84 ? 19 ARG A CB 1
516
+ ATOM 147 C CG . ARG A 1 19 ? 26.144 49.583 40.735 0.50 23.86 ? 19 ARG A CG 1
517
+ ATOM 148 C CD . ARG A 1 19 ? 25.062 48.516 40.759 0.50 26.41 ? 19 ARG A CD 1
518
+ ATOM 149 N NE . ARG A 1 19 ? 24.414 48.388 39.449 0.50 28.47 ? 19 ARG A NE 1
519
+ ATOM 150 C CZ . ARG A 1 19 ? 23.318 47.675 39.220 0.50 28.60 ? 19 ARG A CZ 1
520
+ ATOM 151 N NH1 . ARG A 1 19 ? 22.718 47.035 40.228 0.50 27.51 ? 19 ARG A NH1 1
521
+ ATOM 152 N NH2 . ARG A 1 19 ? 22.821 47.621 37.991 0.50 25.45 ? 19 ARG A NH2 1
522
+ ATOM 153 N N . ALA A 1 20 ? 26.985 51.303 44.658 1.00 21.15 ? 20 ALA A N 1
523
+ ATOM 154 C CA . ALA A 1 20 ? 27.212 51.397 46.104 1.00 19.76 ? 20 ALA A CA 1
524
+ ATOM 155 C C . ALA A 1 20 ? 27.849 50.130 46.662 1.00 19.97 ? 20 ALA A C 1
525
+ ATOM 156 O O . ALA A 1 20 ? 27.686 49.032 46.076 1.00 19.99 ? 20 ALA A O 1
526
+ ATOM 157 C CB . ALA A 1 20 ? 25.866 51.604 46.824 1.00 18.84 ? 20 ALA A CB 1
527
+ ATOM 158 N N . ASP A 1 21 ? 28.544 50.290 47.792 0.50 19.88 ? 21 ASP A N 1
528
+ ATOM 159 C CA . ASP A 1 21 ? 28.948 49.158 48.622 0.50 19.90 ? 21 ASP A CA 1
529
+ ATOM 160 C C . ASP A 1 21 ? 27.749 48.238 48.907 0.50 20.18 ? 21 ASP A C 1
530
+ ATOM 161 O O . ASP A 1 21 ? 26.631 48.694 49.160 0.50 19.68 ? 21 ASP A O 1
531
+ ATOM 162 C CB . ASP A 1 21 ? 29.535 49.621 49.953 0.50 19.31 ? 21 ASP A CB 1
532
+ ATOM 163 C CG . ASP A 1 21 ? 30.830 50.395 49.800 0.50 18.42 ? 21 ASP A CG 1
533
+ ATOM 164 O OD1 . ASP A 1 21 ? 31.346 50.538 48.668 0.50 17.34 ? 21 ASP A OD1 1
534
+ ATOM 165 O OD2 . ASP A 1 21 ? 31.334 50.881 50.847 0.50 17.15 ? 21 ASP A OD2 1
535
+ ATOM 166 N N . SER A 1 22 ? 28.007 46.937 48.832 0.50 20.54 ? 22 SER A N 1
536
+ ATOM 167 C CA . SER A 1 22 ? 27.003 45.905 49.042 0.50 20.81 ? 22 SER A CA 1
537
+ ATOM 168 C C . SER A 1 22 ? 25.947 45.773 47.932 0.50 20.94 ? 22 SER A C 1
538
+ ATOM 169 O O . SER A 1 22 ? 25.237 44.765 47.906 0.50 20.82 ? 22 SER A O 1
539
+ ATOM 170 C CB . SER A 1 22 ? 26.404 45.992 50.455 0.50 21.08 ? 22 SER A CB 1
540
+ ATOM 171 O OG . SER A 1 22 ? 27.404 45.668 51.434 0.50 21.57 ? 22 SER A OG 1
541
+ ATOM 172 N N . ALA A 1 23 ? 25.855 46.746 47.013 1.00 21.23 ? 23 ALA A N 1
542
+ ATOM 173 C CA . ALA A 1 23 ? 25.104 46.517 45.767 1.00 21.42 ? 23 ALA A CA 1
543
+ ATOM 174 C C . ALA A 1 23 ? 25.627 45.349 44.922 1.00 21.47 ? 23 ALA A C 1
544
+ ATOM 175 O O . ALA A 1 23 ? 26.716 44.814 45.150 1.00 22.29 ? 23 ALA A O 1
545
+ ATOM 176 C CB . ALA A 1 23 ? 25.040 47.785 44.929 1.00 21.88 ? 23 ALA A CB 1
546
+ ATOM 177 N N . SER A 1 24 ? 24.820 44.936 43.950 1.00 21.04 ? 24 SER A N 1
547
+ ATOM 178 C CA . SER A 1 24 ? 25.213 43.882 43.062 1.00 19.94 ? 24 SER A CA 1
548
+ ATOM 179 C C . SER A 1 24 ? 24.654 44.152 41.666 1.00 19.92 ? 24 SER A C 1
549
+ ATOM 180 O O . SER A 1 24 ? 23.848 45.070 41.471 1.00 19.23 ? 24 SER A O 1
550
+ ATOM 181 C CB . SER A 1 24 ? 24.741 42.534 43.589 1.00 19.47 ? 24 SER A CB 1
551
+ ATOM 182 O OG . SER A 1 24 ? 23.340 42.436 43.449 1.00 21.24 ? 24 SER A OG 1
552
+ ATOM 183 N N . ILE A 1 25 ? 25.150 43.360 40.699 1.00 18.71 ? 25 ILE A N 1
553
+ ATOM 184 C CA . ILE A 1 25 ? 24.740 43.397 39.312 1.00 17.15 ? 25 ILE A CA 1
554
+ ATOM 185 C C . ILE A 1 25 ? 24.367 41.991 38.961 1.00 16.61 ? 25 ILE A C 1
555
+ ATOM 186 O O . ILE A 1 25 ? 24.614 41.074 39.732 1.00 15.49 ? 25 ILE A O 1
556
+ ATOM 187 C CB . ILE A 1 25 ? 25.859 43.932 38.320 1.00 17.49 ? 25 ILE A CB 1
557
+ ATOM 188 C CG1 . ILE A 1 25 ? 27.121 43.045 38.333 1.00 16.05 ? 25 ILE A CG1 1
558
+ ATOM 189 C CG2 . ILE A 1 25 ? 26.159 45.431 38.593 1.00 16.62 ? 25 ILE A CG2 1
559
+ ATOM 190 C CD1 . ILE A 1 25 ? 28.162 43.407 37.268 1.00 17.54 ? 25 ILE A CD1 1
560
+ ATOM 191 N N . CYS A 1 26 ? 23.755 41.830 37.799 1.00 15.83 ? 26 CYS A N 1
561
+ ATOM 192 C CA . CYS A 1 26 ? 23.430 40.503 37.297 1.00 15.81 ? 26 CYS A CA 1
562
+ ATOM 193 C C . CYS A 1 26 ? 24.149 40.353 35.957 1.00 15.86 ? 26 CYS A C 1
563
+ ATOM 194 O O . CYS A 1 26 ? 24.630 41.352 35.366 1.00 15.14 ? 26 CYS A O 1
564
+ ATOM 195 C CB . CYS A 1 26 ? 21.905 40.342 37.144 1.00 15.06 ? 26 CYS A CB 1
565
+ ATOM 196 S SG . CYS A 1 26 ? 21.153 41.577 36.069 1.00 18.49 ? 26 CYS A SG 1
566
+ ATOM 197 N N . PRO A 1 27 ? 24.283 39.110 35.488 1.00 15.73 ? 27 PRO A N 1
567
+ ATOM 198 C CA . PRO A 1 27 ? 24.959 38.854 34.203 1.00 15.83 ? 27 PRO A CA 1
568
+ ATOM 199 C C . PRO A 1 27 ? 24.368 39.654 33.017 1.00 16.75 ? 27 PRO A C 1
569
+ ATOM 200 O O . PRO A 1 27 ? 25.112 40.140 32.183 1.00 17.23 ? 27 PRO A O 1
570
+ ATOM 201 C CB . PRO A 1 27 ? 24.741 37.342 33.978 1.00 15.72 ? 27 PRO A CB 1
571
+ ATOM 202 C CG . PRO A 1 27 ? 24.562 36.777 35.346 1.00 15.94 ? 27 PRO A CG 1
572
+ ATOM 203 C CD . PRO A 1 27 ? 23.870 37.872 36.174 1.00 14.96 ? 27 PRO A CD 1
573
+ ATOM 204 N N . SER A 1 28 ? 23.052 39.815 32.951 1.00 17.63 ? 28 SER A N 1
574
+ ATOM 205 C CA . SER A 1 28 ? 22.481 40.620 31.870 1.00 17.33 ? 28 SER A CA 1
575
+ ATOM 206 C C . SER A 1 28 ? 22.930 42.089 31.887 1.00 17.88 ? 28 SER A C 1
576
+ ATOM 207 O O . SER A 1 28 ? 22.986 42.698 30.835 1.00 17.09 ? 28 SER A O 1
577
+ ATOM 208 C CB . SER A 1 28 ? 20.943 40.472 31.754 1.00 18.11 ? 28 SER A CB 1
578
+ ATOM 209 O OG . SER A 1 28 ? 20.207 41.204 32.749 1.00 18.11 ? 28 SER A OG 1
579
+ ATOM 210 N N . ASP A 1 29 ? 23.253 42.650 33.054 1.00 17.59 ? 29 ASP A N 1
580
+ ATOM 211 C CA . ASP A 1 29 ? 23.775 44.023 33.129 1.00 18.82 ? 29 ASP A CA 1
581
+ ATOM 212 C C . ASP A 1 29 ? 25.114 44.110 32.365 1.00 19.10 ? 29 ASP A C 1
582
+ ATOM 213 O O . ASP A 1 29 ? 25.366 45.084 31.655 1.00 19.34 ? 29 ASP A O 1
583
+ ATOM 214 C CB . ASP A 1 29 ? 24.061 44.446 34.586 1.00 17.99 ? 29 ASP A CB 1
584
+ ATOM 215 C CG . ASP A 1 29 ? 22.793 44.711 35.419 1.00 17.75 ? 29 ASP A CG 1
585
+ ATOM 216 O OD1 . ASP A 1 29 ? 21.705 45.041 34.884 1.00 15.64 ? 29 ASP A OD1 1
586
+ ATOM 217 O OD2 . ASP A 1 29 ? 22.907 44.613 36.648 1.00 17.94 ? 29 ASP A OD2 1
587
+ ATOM 218 N N . VAL A 1 30 ? 25.986 43.116 32.561 1.00 19.59 ? 30 VAL A N 1
588
+ ATOM 219 C CA . VAL A 1 30 ? 27.253 43.004 31.829 1.00 19.05 ? 30 VAL A CA 1
589
+ ATOM 220 C C . VAL A 1 30 ? 27.001 42.778 30.324 1.00 18.89 ? 30 VAL A C 1
590
+ ATOM 221 O O . VAL A 1 30 ? 27.527 43.495 29.492 1.00 19.21 ? 30 VAL A O 1
591
+ ATOM 222 C CB . VAL A 1 30 ? 28.140 41.835 32.413 1.00 19.29 ? 30 VAL A CB 1
592
+ ATOM 223 C CG1 . VAL A 1 30 ? 29.599 41.886 31.851 1.00 21.79 ? 30 VAL A CG1 1
593
+ ATOM 224 C CG2 . VAL A 1 30 ? 28.154 41.857 33.913 1.00 18.65 ? 30 VAL A CG2 1
594
+ ATOM 225 N N . ALA A 1 31 ? 26.227 41.752 29.963 1.00 18.68 ? 31 ALA A N 1
595
+ ATOM 226 C CA . ALA A 1 31 ? 25.974 41.438 28.556 1.00 18.27 ? 31 ALA A CA 1
596
+ ATOM 227 C C . ALA A 1 31 ? 25.400 42.651 27.807 1.00 18.54 ? 31 ALA A C 1
597
+ ATOM 228 O O . ALA A 1 31 ? 25.819 42.904 26.689 1.00 18.46 ? 31 ALA A O 1
598
+ ATOM 229 C CB . ALA A 1 31 ? 25.075 40.247 28.417 1.00 17.48 ? 31 ALA A CB 1
599
+ ATOM 230 N N . ARG A 1 32 ? 24.486 43.400 28.432 1.00 18.91 ? 32 ARG A N 1
600
+ ATOM 231 C CA . ARG A 1 32 ? 23.841 44.547 27.801 1.00 19.68 ? 32 ARG A CA 1
601
+ ATOM 232 C C . ARG A 1 32 ? 24.857 45.671 27.671 1.00 19.29 ? 32 ARG A C 1
602
+ ATOM 233 O O . ARG A 1 32 ? 24.815 46.436 26.733 1.00 18.64 ? 32 ARG A O 1
603
+ ATOM 234 C CB . ARG A 1 32 ? 22.631 45.079 28.592 1.00 20.31 ? 32 ARG A CB 1
604
+ ATOM 235 C CG . ARG A 1 32 ? 21.273 44.313 28.441 1.00 22.31 ? 32 ARG A CG 1
605
+ ATOM 236 C CD . ARG A 1 32 ? 20.027 44.996 29.212 1.00 20.88 ? 32 ARG A CD 1
606
+ ATOM 237 N NE . ARG A 1 32 ? 18.807 44.167 29.113 1.00 25.24 ? 32 ARG A NE 1
607
+ ATOM 238 C CZ . ARG A 1 32 ? 17.956 44.152 28.064 1.00 31.04 ? 32 ARG A CZ 1
608
+ ATOM 239 N NH1 . ARG A 1 32 ? 18.114 44.941 26.979 1.00 30.75 ? 32 ARG A NH1 1
609
+ ATOM 240 N NH2 . ARG A 1 32 ? 16.899 43.358 28.093 1.00 32.78 ? 32 ARG A NH2 1
610
+ ATOM 241 N N . ALA A 1 33 ? 25.750 45.802 28.636 1.00 19.82 ? 33 ALA A N 1
611
+ ATOM 242 C CA . ALA A 1 33 ? 26.724 46.895 28.564 1.00 19.80 ? 33 ALA A CA 1
612
+ ATOM 243 C C . ALA A 1 33 ? 27.692 46.647 27.417 1.00 20.03 ? 33 ALA A C 1
613
+ ATOM 244 O O . ALA A 1 33 ? 28.024 47.574 26.742 1.00 20.01 ? 33 ALA A O 1
614
+ ATOM 245 C CB . ALA A 1 33 ? 27.476 47.075 29.879 1.00 19.73 ? 33 ALA A CB 1
615
+ ATOM 246 N N . VAL A 1 34 ? 28.137 45.404 27.195 1.00 20.56 ? 34 VAL A N 1
616
+ ATOM 247 C CA . VAL A 1 34 ? 29.034 45.090 26.064 1.00 21.01 ? 34 VAL A CA 1
617
+ ATOM 248 C C . VAL A 1 34 ? 28.338 44.923 24.705 1.00 20.83 ? 34 VAL A C 1
618
+ ATOM 249 O O . VAL A 1 34 ? 28.932 45.237 23.701 1.00 20.95 ? 34 VAL A O 1
619
+ ATOM 250 C CB . VAL A 1 34 ? 29.998 43.891 26.326 1.00 21.77 ? 34 VAL A CB 1
620
+ ATOM 251 C CG1 . VAL A 1 34 ? 30.906 44.172 27.551 1.00 22.82 ? 34 VAL A CG1 1
621
+ ATOM 252 C CG2 . VAL A 1 34 ? 29.238 42.616 26.550 1.00 22.77 ? 34 VAL A CG2 1
622
+ ATOM 253 N N . ALA A 1 35 ? 27.084 44.450 24.683 1.00 19.97 ? 35 ALA A N 1
623
+ ATOM 254 C CA . ALA A 1 35 ? 26.391 44.100 23.448 1.00 18.77 ? 35 ALA A CA 1
624
+ ATOM 255 C C . ALA A 1 35 ? 24.884 44.407 23.546 1.00 18.56 ? 35 ALA A C 1
625
+ ATOM 256 O O . ALA A 1 35 ? 24.044 43.507 23.479 1.00 18.18 ? 35 ALA A O 1
626
+ ATOM 257 C CB . ALA A 1 35 ? 26.639 42.607 23.095 1.00 19.17 ? 35 ALA A CB 1
627
+ ATOM 258 N N . PRO A 1 36 ? 24.545 45.685 23.681 1.00 18.26 ? 36 PRO A N 1
628
+ ATOM 259 C CA . PRO A 1 36 ? 23.194 46.165 23.964 1.00 19.38 ? 36 PRO A CA 1
629
+ ATOM 260 C C . PRO A 1 36 ? 22.160 45.659 22.936 1.00 20.03 ? 36 PRO A C 1
630
+ ATOM 261 O O . PRO A 1 36 ? 21.018 45.332 23.281 1.00 19.66 ? 36 PRO A O 1
631
+ ATOM 262 C CB . PRO A 1 36 ? 23.352 47.690 23.908 1.00 18.79 ? 36 PRO A CB 1
632
+ ATOM 263 C CG . PRO A 1 36 ? 24.590 47.928 23.075 1.00 18.99 ? 36 PRO A CG 1
633
+ ATOM 264 C CD . PRO A 1 36 ? 25.488 46.804 23.531 1.00 19.23 ? 36 PRO A CD 1
634
+ ATOM 265 N N . ASP A 1 37 ? 22.613 45.545 21.703 1.00 20.72 ? 37 ASP A N 1
635
+ ATOM 266 C CA . ASP A 1 37 ? 21.796 45.174 20.590 1.00 22.79 ? 37 ASP A CA 1
636
+ ATOM 267 C C . ASP A 1 37 ? 21.633 43.653 20.521 1.00 22.67 ? 37 ASP A C 1
637
+ ATOM 268 O O . ASP A 1 37 ? 20.815 43.164 19.724 1.00 25.17 ? 37 ASP A O 1
638
+ ATOM 269 C CB . ASP A 1 37 ? 22.490 45.637 19.303 1.00 23.76 ? 37 ASP A CB 1
639
+ ATOM 270 C CG . ASP A 1 37 ? 22.489 47.188 19.104 1.00 28.73 ? 37 ASP A CG 1
640
+ ATOM 271 O OD1 . ASP A 1 37 ? 22.264 47.995 20.055 1.00 34.12 ? 37 ASP A OD1 1
641
+ ATOM 272 O OD2 . ASP A 1 37 ? 22.742 47.607 17.948 1.00 32.47 ? 37 ASP A OD2 1
642
+ ATOM 273 N N . ASP A 1 38 ? 22.420 42.891 21.286 1.00 20.76 ? 38 ASP A N 1
643
+ ATOM 274 C CA . ASP A 1 38 ? 22.323 41.426 21.205 1.00 19.85 ? 38 ASP A CA 1
644
+ ATOM 275 C C . ASP A 1 38 ? 23.148 40.785 22.308 1.00 19.86 ? 38 ASP A C 1
645
+ ATOM 276 O O . ASP A 1 38 ? 24.264 40.283 22.088 1.00 19.63 ? 38 ASP A O 1
646
+ ATOM 277 C CB . ASP A 1 38 ? 22.769 40.927 19.828 1.00 19.27 ? 38 ASP A CB 1
647
+ ATOM 278 C CG . ASP A 1 38 ? 22.419 39.478 19.570 1.00 18.68 ? 38 ASP A CG 1
648
+ ATOM 279 O OD1 . ASP A 1 38 ? 21.576 38.891 20.277 1.00 16.46 ? 38 ASP A OD1 1
649
+ ATOM 280 O OD2 . ASP A 1 38 ? 22.964 38.930 18.603 1.00 15.20 ? 38 ASP A OD2 1
650
+ ATOM 281 N N . TRP A 1 39 ? 22.565 40.780 23.500 1.00 19.51 ? 39 TRP A N 1
651
+ ATOM 282 C CA . TRP A 1 39 ? 23.278 40.410 24.716 1.00 19.41 ? 39 TRP A CA 1
652
+ ATOM 283 C C . TRP A 1 39 ? 23.106 38.940 25.159 1.00 18.36 ? 39 TRP A C 1
653
+ ATOM 284 O O . TRP A 1 39 ? 23.940 38.434 25.919 1.00 17.08 ? 39 TRP A O 1
654
+ ATOM 285 C CB . TRP A 1 39 ? 22.902 41.400 25.840 1.00 20.60 ? 39 TRP A CB 1
655
+ ATOM 286 C CG . TRP A 1 39 ? 21.433 41.459 26.107 1.00 21.23 ? 39 TRP A CG 1
656
+ ATOM 287 C CD1 . TRP A 1 39 ? 20.546 42.377 25.616 1.00 24.38 ? 39 TRP A CD1 1
657
+ ATOM 288 C CD2 . TRP A 1 39 ? 20.669 40.564 26.938 1.00 22.31 ? 39 TRP A CD2 1
658
+ ATOM 289 N NE1 . TRP A 1 39 ? 19.262 42.084 26.056 1.00 25.41 ? 39 TRP A NE1 1
659
+ ATOM 290 C CE2 . TRP A 1 39 ? 19.318 40.991 26.886 1.00 24.12 ? 39 TRP A CE2 1
660
+ ATOM 291 C CE3 . TRP A 1 39 ? 20.998 39.446 27.726 1.00 21.27 ? 39 TRP A CE3 1
661
+ ATOM 292 C CZ2 . TRP A 1 39 ? 18.288 40.323 27.584 1.00 23.86 ? 39 TRP A CZ2 1
662
+ ATOM 293 C CZ3 . TRP A 1 39 ? 19.983 38.797 28.428 1.00 22.87 ? 39 TRP A CZ3 1
663
+ ATOM 294 C CH2 . TRP A 1 39 ? 18.641 39.238 28.351 1.00 23.32 ? 39 TRP A CH2 1
664
+ ATOM 295 N N . ARG A 1 40 ? 22.047 38.260 24.707 1.00 18.18 ? 40 ARG A N 1
665
+ ATOM 296 C CA . ARG A 1 40 ? 21.748 36.898 25.208 1.00 19.34 ? 40 ARG A CA 1
666
+ ATOM 297 C C . ARG A 1 40 ? 22.890 35.917 24.930 1.00 18.31 ? 40 ARG A C 1
667
+ ATOM 298 O O . ARG A 1 40 ? 23.183 35.062 25.765 1.00 17.54 ? 40 ARG A O 1
668
+ ATOM 299 C CB . ARG A 1 40 ? 20.402 36.312 24.692 1.00 18.93 ? 40 ARG A CB 1
669
+ ATOM 300 C CG . ARG A 1 40 ? 19.182 36.885 25.428 1.00 21.06 ? 40 ARG A CG 1
670
+ ATOM 301 C CD . ARG A 1 40 ? 17.824 36.230 25.107 1.00 22.41 ? 40 ARG A CD 1
671
+ ATOM 302 N NE . ARG A 1 40 ? 17.343 35.504 26.271 1.00 33.65 ? 40 ARG A NE 1
672
+ ATOM 303 C CZ . ARG A 1 40 ? 16.745 36.052 27.332 1.00 38.26 ? 40 ARG A CZ 1
673
+ ATOM 304 N NH1 . ARG A 1 40 ? 16.503 37.355 27.389 1.00 38.57 ? 40 ARG A NH1 1
674
+ ATOM 305 N NH2 . ARG A 1 40 ? 16.375 35.279 28.354 1.00 42.40 ? 40 ARG A NH2 1
675
+ ATOM 306 N N . PRO A 1 41 ? 23.533 36.027 23.749 1.00 17.60 ? 41 PRO A N 1
676
+ ATOM 307 C CA . PRO A 1 41 ? 24.648 35.120 23.525 1.00 18.10 ? 41 PRO A CA 1
677
+ ATOM 308 C C . PRO A 1 41 ? 25.845 35.317 24.475 1.00 18.78 ? 41 PRO A C 1
678
+ ATOM 309 O O . PRO A 1 41 ? 26.709 34.436 24.588 1.00 20.48 ? 41 PRO A O 1
679
+ ATOM 310 C CB . PRO A 1 41 ? 25.033 35.413 22.084 1.00 17.75 ? 41 PRO A CB 1
680
+ ATOM 311 C CG . PRO A 1 41 ? 23.774 36.003 21.471 1.00 17.08 ? 41 PRO A CG 1
681
+ ATOM 312 C CD . PRO A 1 41 ? 23.289 36.867 22.569 1.00 16.78 ? 41 PRO A CD 1
682
+ ATOM 313 N N . LEU A 1 42 ? 25.912 36.443 25.148 1.00 18.67 ? 42 LEU A N 1
683
+ ATOM 314 C CA . LEU A 1 42 ? 26.998 36.666 26.118 1.00 19.61 ? 42 LEU A CA 1
684
+ ATOM 315 C C . LEU A 1 42 ? 26.756 36.111 27.523 1.00 19.39 ? 42 LEU A C 1
685
+ ATOM 316 O O . LEU A 1 42 ? 27.623 36.221 28.358 1.00 19.36 ? 42 LEU A O 1
686
+ ATOM 317 C CB . LEU A 1 42 ? 27.376 38.151 26.186 1.00 18.63 ? 42 LEU A CB 1
687
+ ATOM 318 C CG . LEU A 1 42 ? 28.007 38.599 24.877 1.00 21.19 ? 42 LEU A CG 1
688
+ ATOM 319 C CD1 . LEU A 1 42 ? 28.343 40.056 25.006 1.00 22.02 ? 42 LEU A CD1 1
689
+ ATOM 320 C CD2 . LEU A 1 42 ? 29.253 37.824 24.603 1.00 25.61 ? 42 LEU A CD2 1
690
+ ATOM 321 N N . MET A 1 43 ? 25.601 35.489 27.753 1.00 19.52 ? 43 MET A N 1
691
+ ATOM 322 C CA . MET A 1 43 ? 25.239 35.018 29.087 1.00 20.82 ? 43 MET A CA 1
692
+ ATOM 323 C C . MET A 1 43 ? 26.222 33.995 29.673 1.00 20.45 ? 43 MET A C 1
693
+ ATOM 324 O O . MET A 1 43 ? 26.720 34.190 30.781 1.00 19.70 ? 43 MET A O 1
694
+ ATOM 325 C CB . MET A 1 43 ? 23.797 34.494 29.133 1.00 21.15 ? 43 MET A CB 1
695
+ ATOM 326 C CG . MET A 1 43 ? 22.716 35.559 29.010 1.00 26.69 ? 43 MET A CG 1
696
+ ATOM 327 S SD . MET A 1 43 ? 22.719 36.866 30.512 1.00 40.33 ? 43 MET A SD 1
697
+ ATOM 328 C CE . MET A 1 43 ? 24.215 37.917 29.994 1.00 36.89 ? 43 MET A CE 1
698
+ ATOM 329 N N . GLU A 1 44 ? 26.529 32.923 28.945 1.00 20.42 ? 44 GLU A N 1
699
+ ATOM 330 C CA . GLU A 1 44 ? 27.537 31.969 29.457 1.00 20.55 ? 44 GLU A CA 1
700
+ ATOM 331 C C . GLU A 1 44 ? 28.970 32.558 29.519 1.00 19.44 ? 44 GLU A C 1
701
+ ATOM 332 O O . GLU A 1 44 ? 29.645 32.356 30.503 1.00 19.82 ? 44 GLU A O 1
702
+ ATOM 333 C CB . GLU A 1 44 ? 27.486 30.616 28.724 1.00 21.83 ? 44 GLU A CB 1
703
+ ATOM 334 C CG . GLU A 1 44 ? 26.127 29.915 28.892 1.00 26.65 ? 44 GLU A CG 1
704
+ ATOM 335 C CD . GLU A 1 44 ? 25.761 29.686 30.367 1.00 33.68 ? 44 GLU A CD 1
705
+ ATOM 336 O OE1 . GLU A 1 44 ? 26.501 28.925 31.032 1.00 36.06 ? 44 GLU A OE1 1
706
+ ATOM 337 O OE2 . GLU A 1 44 ? 24.759 30.274 30.864 1.00 33.42 ? 44 GLU A OE2 1
707
+ ATOM 338 N N . PRO A 1 45 ? 29.440 33.266 28.471 1.00 18.74 ? 45 PRO A N 1
708
+ ATOM 339 C CA . PRO A 1 45 ? 30.704 34.002 28.647 1.00 18.60 ? 45 PRO A CA 1
709
+ ATOM 340 C C . PRO A 1 45 ? 30.786 34.917 29.899 1.00 18.06 ? 45 PRO A C 1
710
+ ATOM 341 O O . PRO A 1 45 ? 31.841 34.970 30.555 1.00 18.30 ? 45 PRO A O 1
711
+ ATOM 342 C CB . PRO A 1 45 ? 30.811 34.815 27.339 1.00 17.75 ? 45 PRO A CB 1
712
+ ATOM 343 C CG . PRO A 1 45 ? 30.128 33.965 26.340 1.00 17.82 ? 45 PRO A CG 1
713
+ ATOM 344 C CD . PRO A 1 45 ? 28.950 33.373 27.074 1.00 19.01 ? 45 PRO A CD 1
714
+ ATOM 345 N N . VAL A 1 46 ? 29.691 35.610 30.239 1.00 18.79 ? 46 VAL A N 1
715
+ ATOM 346 C CA . VAL A 1 46 ? 29.669 36.492 31.409 1.00 17.15 ? 46 VAL A CA 1
716
+ ATOM 347 C C . VAL A 1 46 ? 29.774 35.681 32.691 1.00 17.36 ? 46 VAL A C 1
717
+ ATOM 348 O O . VAL A 1 46 ? 30.477 36.076 33.609 1.00 17.16 ? 46 VAL A O 1
718
+ ATOM 349 C CB . VAL A 1 46 ? 28.404 37.406 31.464 1.00 17.52 ? 46 VAL A CB 1
719
+ ATOM 350 C CG1 . VAL A 1 46 ? 28.265 37.975 32.832 1.00 19.16 ? 46 VAL A CG1 1
720
+ ATOM 351 C CG2 . VAL A 1 46 ? 28.492 38.582 30.465 1.00 13.86 ? 46 VAL A CG2 1
721
+ ATOM 352 N N . ARG A 1 47 ? 29.074 34.549 32.776 1.00 17.62 ? 47 ARG A N 1
722
+ ATOM 353 C CA . ARG A 1 47 ? 29.244 33.606 33.912 1.00 16.70 ? 47 ARG A CA 1
723
+ ATOM 354 C C . ARG A 1 47 ? 30.661 33.095 34.073 1.00 16.91 ? 47 ARG A C 1
724
+ ATOM 355 O O . ARG A 1 47 ? 31.151 32.974 35.206 1.00 17.71 ? 47 ARG A O 1
725
+ ATOM 356 C CB . ARG A 1 47 ? 28.281 32.425 33.816 1.00 17.25 ? 47 ARG A CB 1
726
+ ATOM 357 C CG . ARG A 1 47 ? 26.834 32.857 33.963 1.00 19.38 ? 47 ARG A CG 1
727
+ ATOM 358 C CD . ARG A 1 47 ? 25.884 31.648 34.009 1.00 24.36 ? 47 ARG A CD 1
728
+ ATOM 359 N NE . ARG A 1 47 ? 24.580 31.986 34.588 1.00 28.81 ? 47 ARG A NE 1
729
+ ATOM 360 C CZ . ARG A 1 47 ? 24.047 31.428 35.689 1.00 31.33 ? 47 ARG A CZ 1
730
+ ATOM 361 N NH1 . ARG A 1 47 ? 24.679 30.482 36.393 1.00 33.80 ? 47 ARG A NH1 1
731
+ ATOM 362 N NH2 . ARG A 1 47 ? 22.860 31.815 36.106 1.00 29.96 ? 47 ARG A NH2 1
732
+ ATOM 363 N N . GLU A 1 48 ? 31.337 32.803 32.965 1.00 16.59 ? 48 GLU A N 1
733
+ ATOM 364 C CA . GLU A 1 48 ? 32.725 32.340 33.025 1.00 16.76 ? 48 GLU A CA 1
734
+ ATOM 365 C C . GLU A 1 48 ? 33.621 33.432 33.573 1.00 15.90 ? 48 GLU A C 1
735
+ ATOM 366 O O . GLU A 1 48 ? 34.454 33.175 34.433 1.00 16.33 ? 48 GLU A O 1
736
+ ATOM 367 C CB . GLU A 1 48 ? 33.243 31.846 31.666 1.00 15.49 ? 48 GLU A CB 1
737
+ ATOM 368 C CG . GLU A 1 48 ? 32.573 30.590 31.170 1.00 19.46 ? 48 GLU A CG 1
738
+ ATOM 369 C CD . GLU A 1 48 ? 32.956 29.372 31.975 1.00 23.49 ? 48 GLU A CD 1
739
+ ATOM 370 O OE1 . GLU A 1 48 ? 34.081 29.327 32.543 1.00 25.52 ? 48 GLU A OE1 1
740
+ ATOM 371 O OE2 . GLU A 1 48 ? 32.133 28.438 32.036 1.00 29.36 ? 48 GLU A OE2 1
741
+ ATOM 372 N N . ALA A 1 49 ? 33.423 34.655 33.085 1.00 15.92 ? 49 ALA A N 1
742
+ ATOM 373 C CA . ALA A 1 49 ? 34.164 35.819 33.583 1.00 16.21 ? 49 ALA A CA 1
743
+ ATOM 374 C C . ALA A 1 49 ? 33.981 36.061 35.079 1.00 17.06 ? 49 ALA A C 1
744
+ ATOM 375 O O . ALA A 1 49 ? 34.984 36.225 35.817 1.00 19.14 ? 49 ALA A O 1
745
+ ATOM 376 C CB . ALA A 1 49 ? 33.810 37.079 32.767 1.00 14.62 ? 49 ALA A CB 1
746
+ ATOM 377 N N . ALA A 1 50 ? 32.726 36.119 35.528 1.00 17.39 ? 50 ALA A N 1
747
+ ATOM 378 C CA . ALA A 1 50 ? 32.406 36.192 36.957 1.00 17.94 ? 50 ALA A CA 1
748
+ ATOM 379 C C . ALA A 1 50 ? 33.109 35.044 37.732 1.00 18.36 ? 50 ALA A C 1
749
+ ATOM 380 O O . ALA A 1 50 ? 33.612 35.242 38.825 1.00 18.01 ? 50 ALA A O 1
750
+ ATOM 381 C CB . ALA A 1 50 ? 30.868 36.161 37.144 1.00 18.04 ? 50 ALA A CB 1
751
+ ATOM 382 N N . GLY A 1 51 ? 33.158 33.846 37.144 1.00 18.39 ? 51 GLY A N 1
752
+ ATOM 383 C CA . GLY A 1 51 ? 33.809 32.673 37.807 1.00 17.64 ? 51 GLY A CA 1
753
+ ATOM 384 C C . GLY A 1 51 ? 35.308 32.907 37.995 1.00 17.65 ? 51 GLY A C 1
754
+ ATOM 385 O O . GLY A 1 51 ? 35.873 32.644 39.064 1.00 17.84 ? 51 GLY A O 1
755
+ ATOM 386 N N . ARG A 1 52 ? 35.954 33.420 36.957 1.00 17.68 ? 52 ARG A N 1
756
+ ATOM 387 C CA . ARG A 1 52 ? 37.354 33.797 37.070 1.00 18.67 ? 52 ARG A CA 1
757
+ ATOM 388 C C . ARG A 1 52 ? 37.622 34.886 38.130 1.00 18.16 ? 52 ARG A C 1
758
+ ATOM 389 O O . ARG A 1 52 ? 38.572 34.776 38.899 1.00 17.85 ? 52 ARG A O 1
759
+ ATOM 390 C CB . ARG A 1 52 ? 37.931 34.190 35.694 1.00 19.00 ? 52 ARG A CB 1
760
+ ATOM 391 C CG . ARG A 1 52 ? 38.085 32.993 34.746 1.00 19.47 ? 52 ARG A CG 1
761
+ ATOM 392 C CD . ARG A 1 52 ? 38.809 33.374 33.417 1.00 20.15 ? 52 ARG A CD 1
762
+ ATOM 393 N NE . ARG A 1 52 ? 38.162 34.503 32.753 1.00 20.71 ? 52 ARG A NE 1
763
+ ATOM 394 C CZ . ARG A 1 52 ? 37.177 34.405 31.855 1.00 21.55 ? 52 ARG A CZ 1
764
+ ATOM 395 N NH1 . ARG A 1 52 ? 36.716 33.219 31.457 1.00 17.95 ? 52 ARG A NH1 1
765
+ ATOM 396 N NH2 . ARG A 1 52 ? 36.662 35.512 31.336 1.00 18.92 ? 52 ARG A NH2 1
766
+ ATOM 397 N N . LEU A 1 53 ? 36.796 35.933 38.175 1.00 17.98 ? 53 LEU A N 1
767
+ ATOM 398 C CA . LEU A 1 53 ? 36.968 36.981 39.173 1.00 17.80 ? 53 LEU A CA 1
768
+ ATOM 399 C C . LEU A 1 53 ? 36.638 36.509 40.588 1.00 17.26 ? 53 LEU A C 1
769
+ ATOM 400 O O . LEU A 1 53 ? 37.211 36.990 41.561 1.00 16.91 ? 53 LEU A O 1
770
+ ATOM 401 C CB . LEU A 1 53 ? 36.132 38.221 38.813 1.00 17.49 ? 53 LEU A CB 1
771
+ ATOM 402 C CG . LEU A 1 53 ? 36.620 38.938 37.557 1.00 18.99 ? 53 LEU A CG 1
772
+ ATOM 403 C CD1 . LEU A 1 53 ? 35.743 40.196 37.333 1.00 21.23 ? 53 LEU A CD1 1
773
+ ATOM 404 C CD2 . LEU A 1 53 ? 38.058 39.292 37.641 1.00 18.23 ? 53 LEU A CD2 1
774
+ ATOM 405 N N . ALA A 1 54 ? 35.707 35.564 40.698 1.00 17.12 ? 54 ALA A N 1
775
+ ATOM 406 C CA . ALA A 1 54 ? 35.417 34.885 41.960 1.00 16.39 ? 54 ALA A CA 1
776
+ ATOM 407 C C . ALA A 1 54 ? 36.595 34.029 42.417 1.00 16.29 ? 54 ALA A C 1
777
+ ATOM 408 O O . ALA A 1 54 ? 36.962 34.076 43.570 1.00 16.97 ? 54 ALA A O 1
778
+ ATOM 409 C CB . ALA A 1 54 ? 34.106 34.038 41.847 1.00 15.64 ? 54 ALA A CB 1
779
+ ATOM 410 N N . ASP A 1 55 ? 37.184 33.249 41.518 1.00 17.03 ? 55 ASP A N 1
780
+ ATOM 411 C CA . ASP A 1 55 ? 38.372 32.440 41.846 1.00 16.22 ? 55 ASP A CA 1
781
+ ATOM 412 C C . ASP A 1 55 ? 39.535 33.327 42.377 1.00 16.78 ? 55 ASP A C 1
782
+ ATOM 413 O O . ASP A 1 55 ? 40.295 32.917 43.265 1.00 16.72 ? 55 ASP A O 1
783
+ ATOM 414 C CB . ASP A 1 55 ? 38.851 31.645 40.630 1.00 16.70 ? 55 ASP A CB 1
784
+ ATOM 415 C CG . ASP A 1 55 ? 37.874 30.520 40.209 1.00 17.21 ? 55 ASP A CG 1
785
+ ATOM 416 O OD1 . ASP A 1 55 ? 36.999 30.136 41.013 1.00 15.25 ? 55 ASP A OD1 1
786
+ ATOM 417 O OD2 . ASP A 1 55 ? 37.968 30.049 39.051 1.00 14.59 ? 55 ASP A OD2 1
787
+ ATOM 418 N N . ALA A 1 56 ? 39.633 34.549 41.852 1.00 17.28 ? 56 ALA A N 1
788
+ ATOM 419 C CA . ALA A 1 56 ? 40.682 35.483 42.204 1.00 16.74 ? 56 ALA A CA 1
789
+ ATOM 420 C C . ALA A 1 56 ? 40.342 36.203 43.505 1.00 16.18 ? 56 ALA A C 1
790
+ ATOM 421 O O . ALA A 1 56 ? 41.156 36.895 44.043 1.00 17.30 ? 56 ALA A O 1
791
+ ATOM 422 C CB . ALA A 1 56 ? 40.868 36.464 41.094 1.00 16.43 ? 56 ALA A CB 1
792
+ ATOM 423 N N . GLY A 1 57 ? 39.121 36.019 43.993 1.00 17.10 ? 57 GLY A N 1
793
+ ATOM 424 C CA . GLY A 1 57 ? 38.691 36.577 45.244 1.00 15.81 ? 57 GLY A CA 1
794
+ ATOM 425 C C . GLY A 1 57 ? 38.225 38.012 45.137 1.00 16.14 ? 57 GLY A C 1
795
+ ATOM 426 O O . GLY A 1 57 ? 37.883 38.589 46.157 1.00 15.57 ? 57 GLY A O 1
796
+ ATOM 427 N N . GLU A 1 58 ? 38.181 38.564 43.918 1.00 16.12 ? 58 GLU A N 1
797
+ ATOM 428 C CA . GLU A 1 58 ? 37.745 39.957 43.665 1.00 16.82 ? 58 GLU A CA 1
798
+ ATOM 429 C C . GLU A 1 58 ? 36.226 40.202 43.836 1.00 16.72 ? 58 GLU A C 1
799
+ ATOM 430 O O . GLU A 1 58 ? 35.794 41.259 44.348 1.00 15.87 ? 58 GLU A O 1
800
+ ATOM 431 C CB . GLU A 1 58 ? 38.122 40.362 42.243 1.00 16.98 ? 58 GLU A CB 1
801
+ ATOM 432 C CG . GLU A 1 58 ? 39.626 40.333 42.026 1.00 20.27 ? 58 GLU A CG 1
802
+ ATOM 433 C CD . GLU A 1 58 ? 40.077 41.117 40.794 1.00 22.00 ? 58 GLU A CD 1
803
+ ATOM 434 O OE1 . GLU A 1 58 ? 39.241 41.802 40.169 1.00 22.42 ? 58 GLU A OE1 1
804
+ ATOM 435 O OE2 . GLU A 1 58 ? 41.288 41.054 40.493 1.00 24.11 ? 58 GLU A OE2 1
805
+ ATOM 436 N N . VAL A 1 59 ? 35.431 39.244 43.371 1.00 16.08 ? 59 VAL A N 1
806
+ ATOM 437 C CA . VAL A 1 59 ? 33.994 39.323 43.471 1.00 16.17 ? 59 VAL A CA 1
807
+ ATOM 438 C C . VAL A 1 59 ? 33.476 38.030 44.080 1.00 17.44 ? 59 VAL A C 1
808
+ ATOM 439 O O . VAL A 1 59 ? 34.206 37.030 44.109 1.00 16.79 ? 59 VAL A O 1
809
+ ATOM 440 C CB . VAL A 1 59 ? 33.313 39.559 42.063 1.00 16.28 ? 59 VAL A CB 1
810
+ ATOM 441 C CG1 . VAL A 1 59 ? 33.908 40.805 41.339 1.00 15.11 ? 59 VAL A CG1 1
811
+ ATOM 442 C CG2 . VAL A 1 59 ? 33.328 38.298 41.199 1.00 15.92 ? 59 VAL A CG2 1
812
+ ATOM 443 N N . GLU A 1 60 ? 32.235 38.069 44.577 1.00 17.77 ? 60 GLU A N 1
813
+ ATOM 444 C CA . GLU A 1 60 ? 31.475 36.862 44.908 1.00 18.99 ? 60 GLU A CA 1
814
+ ATOM 445 C C . GLU A 1 60 ? 30.201 36.815 44.079 1.00 19.47 ? 60 GLU A C 1
815
+ ATOM 446 O O . GLU A 1 60 ? 29.587 37.859 43.751 1.00 20.03 ? 60 GLU A O 1
816
+ ATOM 447 C CB . GLU A 1 60 ? 31.064 36.835 46.387 1.00 19.26 ? 60 GLU A CB 1
817
+ ATOM 448 C CG . GLU A 1 60 ? 32.228 36.685 47.345 1.00 21.05 ? 60 GLU A CG 1
818
+ ATOM 449 C CD . GLU A 1 60 ? 31.850 37.005 48.757 1.00 22.28 ? 60 GLU A CD 1
819
+ ATOM 450 O OE1 . GLU A 1 60 ? 31.201 38.062 48.984 1.00 26.91 ? 60 GLU A OE1 1
820
+ ATOM 451 O OE2 . GLU A 1 60 ? 32.176 36.177 49.636 1.00 23.61 ? 60 GLU A OE2 1
821
+ ATOM 452 N N . VAL A 1 61 ? 29.770 35.601 43.788 1.00 18.94 ? 61 VAL A N 1
822
+ ATOM 453 C CA . VAL A 1 61 ? 28.527 35.413 43.069 1.00 19.44 ? 61 VAL A CA 1
823
+ ATOM 454 C C . VAL A 1 61 ? 27.580 34.778 44.091 1.00 20.13 ? 61 VAL A C 1
824
+ ATOM 455 O O . VAL A 1 61 ? 27.998 33.871 44.856 1.00 20.23 ? 61 VAL A O 1
825
+ ATOM 456 C CB . VAL A 1 61 ? 28.729 34.442 41.856 1.00 19.42 ? 61 VAL A CB 1
826
+ ATOM 457 C CG1 . VAL A 1 61 ? 27.378 34.088 41.210 1.00 20.46 ? 61 VAL A CG1 1
827
+ ATOM 458 C CG2 . VAL A 1 61 ? 29.771 34.988 40.830 1.00 17.47 ? 61 VAL A CG2 1
828
+ ATOM 459 N N . THR A 1 62 ? 26.333 35.260 44.130 1.00 20.18 ? 62 THR A N 1
829
+ ATOM 460 C CA . THR A 1 62 ? 25.325 34.739 45.047 1.00 20.14 ? 62 THR A CA 1
830
+ ATOM 461 C C . THR A 1 62 ? 24.062 34.335 44.307 1.00 19.81 ? 62 THR A C 1
831
+ ATOM 462 O O . THR A 1 62 ? 23.750 34.842 43.236 1.00 20.43 ? 62 THR A O 1
832
+ ATOM 463 C CB . THR A 1 62 ? 24.941 35.737 46.198 1.00 19.66 ? 62 THR A CB 1
833
+ ATOM 464 O OG1 . THR A 1 62 ? 24.248 36.859 45.652 1.00 22.34 ? 62 THR A OG1 1
834
+ ATOM 465 C CG2 . THR A 1 62 ? 26.201 36.230 46.993 1.00 22.29 ? 62 THR A CG2 1
835
+ ATOM 466 N N . GLN A 1 63 ? 23.347 33.395 44.898 1.00 19.39 ? 63 GLN A N 1
836
+ ATOM 467 C CA . GLN A 1 63 ? 22.043 32.984 44.424 1.00 18.81 ? 63 GLN A CA 1
837
+ ATOM 468 C C . GLN A 1 63 ? 21.193 32.710 45.654 1.00 17.97 ? 63 GLN A C 1
838
+ ATOM 469 O O . GLN A 1 63 ? 21.571 31.947 46.533 1.00 16.31 ? 63 GLN A O 1
839
+ ATOM 470 C CB . GLN A 1 63 ? 22.153 31.735 43.572 1.00 18.16 ? 63 GLN A CB 1
840
+ ATOM 471 C CG . GLN A 1 63 ? 20.853 31.468 42.894 1.00 21.76 ? 63 GLN A CG 1
841
+ ATOM 472 C CD . GLN A 1 63 ? 20.942 30.309 41.962 1.00 23.23 ? 63 GLN A CD 1
842
+ ATOM 473 O OE1 . GLN A 1 63 ? 20.864 30.490 40.753 1.00 28.13 ? 63 GLN A OE1 1
843
+ ATOM 474 N NE2 . GLN A 1 63 ? 21.092 29.110 42.502 1.00 20.34 ? 63 GLN A NE2 1
844
+ ATOM 475 N N . LYS A 1 64 ? 20.047 33.364 45.711 1.00 18.44 ? 64 LYS A N 1
845
+ ATOM 476 C CA . LYS A 1 64 ? 19.204 33.320 46.871 1.00 18.68 ? 64 LYS A CA 1
846
+ ATOM 477 C C . LYS A 1 64 ? 19.943 33.596 48.183 1.00 18.69 ? 64 LYS A C 1
847
+ ATOM 478 O O . LYS A 1 64 ? 19.662 32.966 49.212 1.00 18.06 ? 64 LYS A O 1
848
+ ATOM 479 C CB . LYS A 1 64 ? 18.456 31.976 46.900 1.00 20.01 ? 64 LYS A CB 1
849
+ ATOM 480 C CG . LYS A 1 64 ? 17.656 31.813 45.626 1.00 18.19 ? 64 LYS A CG 1
850
+ ATOM 481 C CD . LYS A 1 64 ? 17.031 30.531 45.531 1.00 18.62 ? 64 LYS A CD 1
851
+ ATOM 482 C CE . LYS A 1 64 ? 16.467 30.430 44.170 1.00 20.11 ? 64 LYS A CE 1
852
+ ATOM 483 N NZ . LYS A 1 64 ? 15.796 29.166 44.073 1.00 24.85 ? 64 LYS A NZ 1
853
+ ATOM 484 N N . GLY A 1 65 ? 20.848 34.566 48.142 1.00 18.63 ? 65 GLY A N 1
854
+ ATOM 485 C CA . GLY A 1 65 ? 21.607 34.973 49.320 1.00 20.11 ? 65 GLY A CA 1
855
+ ATOM 486 C C . GLY A 1 65 ? 22.893 34.172 49.641 1.00 20.52 ? 65 GLY A C 1
856
+ ATOM 487 O O . GLY A 1 65 ? 23.750 34.637 50.447 1.00 21.67 ? 65 GLY A O 1
857
+ ATOM 488 N N . ALA A 1 66 ? 23.032 32.990 49.042 1.00 19.83 ? 66 ALA A N 1
858
+ ATOM 489 C CA . ALA A 1 66 ? 24.149 32.093 49.286 1.00 19.02 ? 66 ALA A CA 1
859
+ ATOM 490 C C . ALA A 1 66 ? 25.274 32.286 48.261 1.00 19.15 ? 66 ALA A C 1
860
+ ATOM 491 O O . ALA A 1 66 ? 24.996 32.458 47.076 1.00 19.31 ? 66 ALA A O 1
861
+ ATOM 492 C CB . ALA A 1 66 ? 23.653 30.632 49.267 1.00 20.12 ? 66 ALA A CB 1
862
+ ATOM 493 N N . VAL A 1 67 ? 26.539 32.235 48.690 1.00 17.89 ? 67 VAL A N 1
863
+ ATOM 494 C CA . VAL A 1 67 ? 27.639 32.292 47.725 1.00 16.77 ? 67 VAL A CA 1
864
+ ATOM 495 C C . VAL A 1 67 ? 27.641 30.989 46.896 1.00 17.89 ? 67 VAL A C 1
865
+ ATOM 496 O O . VAL A 1 67 ? 27.553 29.867 47.464 1.00 17.08 ? 67 VAL A O 1
866
+ ATOM 497 C CB . VAL A 1 67 ? 29.032 32.577 48.404 1.00 17.70 ? 67 VAL A CB 1
867
+ ATOM 498 C CG1 . VAL A 1 67 ? 30.209 32.396 47.383 1.00 16.88 ? 67 VAL A CG1 1
868
+ ATOM 499 C CG2 . VAL A 1 67 ? 29.078 34.002 48.999 1.00 16.35 ? 67 VAL A CG2 1
869
+ ATOM 500 N N . VAL A 1 68 ? 27.702 31.148 45.560 1.00 16.73 ? 68 VAL A N 1
870
+ ATOM 501 C CA . VAL A 1 68 ? 27.694 30.019 44.604 1.00 17.08 ? 68 VAL A CA 1
871
+ ATOM 502 C C . VAL A 1 68 ? 28.785 30.220 43.502 1.00 17.57 ? 68 VAL A C 1
872
+ ATOM 503 O O . VAL A 1 68 ? 29.307 31.326 43.311 1.00 16.32 ? 68 VAL A O 1
873
+ ATOM 504 C CB . VAL A 1 68 ? 26.269 29.833 43.890 1.00 17.96 ? 68 VAL A CB 1
874
+ ATOM 505 C CG1 . VAL A 1 68 ? 25.114 29.489 44.880 1.00 15.44 ? 68 VAL A CG1 1
875
+ ATOM 506 C CG2 . VAL A 1 68 ? 25.923 31.084 43.013 1.00 12.94 ? 68 VAL A CG2 1
876
+ ATOM 507 N N . ASP A 1 69 ? 29.076 29.146 42.757 1.00 16.53 ? 69 ASP A N 1
877
+ ATOM 508 C CA . ASP A 1 69 ? 29.903 29.202 41.576 1.00 16.40 ? 69 ASP A CA 1
878
+ ATOM 509 C C . ASP A 1 69 ? 28.945 29.479 40.421 1.00 16.36 ? 69 ASP A C 1
879
+ ATOM 510 O O . ASP A 1 69 ? 28.028 28.670 40.174 1.00 16.62 ? 69 ASP A O 1
880
+ ATOM 511 C CB . ASP A 1 69 ? 30.552 27.819 41.384 1.00 17.04 ? 69 ASP A CB 1
881
+ ATOM 512 C CG . ASP A 1 69 ? 31.502 27.752 40.177 1.00 18.50 ? 69 ASP A CG 1
882
+ ATOM 513 O OD1 . ASP A 1 69 ? 31.465 28.596 39.284 1.00 17.30 ? 69 ASP A OD1 1
883
+ ATOM 514 O OD2 . ASP A 1 69 ? 32.256 26.784 40.108 1.00 22.42 ? 69 ASP A OD2 1
884
+ ATOM 515 N N . PRO A 1 70 ? 29.154 30.602 39.691 1.00 16.06 ? 70 PRO A N 1
885
+ ATOM 516 C CA . PRO A 1 70 ? 28.296 30.997 38.552 1.00 16.95 ? 70 PRO A CA 1
886
+ ATOM 517 C C . PRO A 1 70 ? 28.357 30.002 37.398 1.00 18.07 ? 70 PRO A C 1
887
+ ATOM 518 O O . PRO A 1 70 ? 27.450 29.960 36.561 1.00 18.36 ? 70 PRO A O 1
888
+ ATOM 519 C CB . PRO A 1 70 ? 28.945 32.304 38.067 1.00 15.72 ? 70 PRO A CB 1
889
+ ATOM 520 C CG . PRO A 1 70 ? 30.344 32.179 38.461 1.00 15.69 ? 70 PRO A CG 1
890
+ ATOM 521 C CD . PRO A 1 70 ? 30.252 31.577 39.851 1.00 15.35 ? 70 PRO A CD 1
891
+ ATOM 522 N N . ARG A 1 71 ? 29.432 29.222 37.353 1.00 19.62 ? 71 ARG A N 1
892
+ ATOM 523 C CA . ARG A 1 71 ? 29.610 28.226 36.289 1.00 20.99 ? 71 ARG A CA 1
893
+ ATOM 524 C C . ARG A 1 71 ? 28.713 27.015 36.504 1.00 21.23 ? 71 ARG A C 1
894
+ ATOM 525 O O . ARG A 1 71 ? 28.388 26.318 35.542 1.00 22.33 ? 71 ARG A O 1
895
+ ATOM 526 C CB . ARG A 1 71 ? 31.101 27.843 36.128 1.00 20.17 ? 71 ARG A CB 1
896
+ ATOM 527 C CG . ARG A 1 71 ? 31.937 28.973 35.500 1.00 23.21 ? 71 ARG A CG 1
897
+ ATOM 528 C CD . ARG A 1 71 ? 33.391 28.919 35.941 1.00 23.27 ? 71 ARG A CD 1
898
+ ATOM 529 N NE . ARG A 1 71 ? 33.506 29.039 37.404 1.00 26.31 ? 71 ARG A NE 1
899
+ ATOM 530 C CZ . ARG A 1 71 ? 34.633 29.347 38.035 1.00 27.57 ? 71 ARG A CZ 1
900
+ ATOM 531 N NH1 . ARG A 1 71 ? 35.755 29.569 37.355 1.00 26.83 ? 71 ARG A NH1 1
901
+ ATOM 532 N NH2 . ARG A 1 71 ? 34.640 29.431 39.349 1.00 27.24 ? 71 ARG A NH2 1
902
+ ATOM 533 N N . SER A 1 72 ? 28.296 26.793 37.754 1.00 22.03 ? 72 SER A N 1
903
+ ATOM 534 C CA . SER A 1 72 ? 27.446 25.637 38.173 1.00 21.72 ? 72 SER A CA 1
904
+ ATOM 535 C C . SER A 1 72 ? 25.979 25.953 38.433 1.00 20.92 ? 72 SER A C 1
905
+ ATOM 536 O O . SER A 1 72 ? 25.125 25.091 38.271 1.00 20.65 ? 72 SER A O 1
906
+ ATOM 537 C CB . SER A 1 72 ? 27.971 25.049 39.467 1.00 21.06 ? 72 SER A CB 1
907
+ ATOM 538 O OG . SER A 1 72 ? 29.226 24.483 39.222 1.00 27.61 ? 72 SER A OG 1
908
+ ATOM 539 N N . ALA A 1 73 ? 25.723 27.178 38.882 1.00 20.03 ? 73 ALA A N 1
909
+ ATOM 540 C CA . ALA A 1 73 ? 24.411 27.650 39.370 1.00 20.56 ? 73 ALA A CA 1
910
+ ATOM 541 C C . ALA A 1 73 ? 23.397 27.753 38.239 1.00 20.91 ? 73 ALA A C 1
911
+ ATOM 542 O O . ALA A 1 73 ? 23.706 28.224 37.164 1.00 20.35 ? 73 ALA A O 1
912
+ ATOM 543 C CB . ALA A 1 73 ? 24.540 29.039 40.091 1.00 20.58 ? 73 ALA A CB 1
913
+ ATOM 544 N N . ARG A 1 74 ? 22.177 27.309 38.525 1.00 21.97 ? 74 ARG A N 1
914
+ ATOM 545 C CA . ARG A 1 74 ? 21.061 27.336 37.586 1.00 22.44 ? 74 ARG A CA 1
915
+ ATOM 546 C C . ARG A 1 74 ? 20.225 28.587 37.838 1.00 22.45 ? 74 ARG A C 1
916
+ ATOM 547 O O . ARG A 1 74 ? 19.804 28.874 38.958 1.00 22.11 ? 74 ARG A O 1
917
+ ATOM 548 C CB . ARG A 1 74 ? 20.201 26.062 37.738 1.00 22.63 ? 74 ARG A CB 1
918
+ ATOM 549 C CG . ARG A 1 74 ? 18.851 26.126 37.014 1.00 22.73 ? 74 ARG A CG 1
919
+ ATOM 550 C CD . ARG A 1 74 ? 17.916 24.956 37.401 1.00 23.41 ? 74 ARG A CD 1
920
+ ATOM 551 N NE . ARG A 1 74 ? 18.543 23.652 37.153 1.00 26.00 ? 74 ARG A NE 1
921
+ ATOM 552 C CZ . ARG A 1 74 ? 18.531 23.031 35.969 1.00 27.76 ? 74 ARG A CZ 1
922
+ ATOM 553 N NH1 . ARG A 1 74 ? 17.903 23.594 34.929 1.00 26.05 ? 74 ARG A NH1 1
923
+ ATOM 554 N NH2 . ARG A 1 74 ? 19.138 21.843 35.822 1.00 22.11 ? 74 ARG A NH2 1
924
+ ATOM 555 N N . GLY A 1 75 ? 20.002 29.346 36.777 1.00 22.72 ? 75 GLY A N 1
925
+ ATOM 556 C CA . GLY A 1 75 ? 19.156 30.510 36.858 1.00 22.58 ? 75 GLY A CA 1
926
+ ATOM 557 C C . GLY A 1 75 ? 19.813 31.731 37.460 1.00 22.68 ? 75 GLY A C 1
927
+ ATOM 558 O O . GLY A 1 75 ? 21.025 31.750 37.642 1.00 24.02 ? 75 GLY A O 1
928
+ ATOM 559 N N . PRO A 1 76 ? 19.008 32.785 37.713 1.00 22.15 ? 76 PRO A N 1
929
+ ATOM 560 C CA . PRO A 1 76 ? 19.471 34.113 38.087 1.00 21.14 ? 76 PRO A CA 1
930
+ ATOM 561 C C . PRO A 1 76 ? 20.415 34.157 39.287 1.00 19.85 ? 76 PRO A C 1
931
+ ATOM 562 O O . PRO A 1 76 ? 20.171 33.523 40.318 1.00 20.18 ? 76 PRO A O 1
932
+ ATOM 563 C CB . PRO A 1 76 ? 18.166 34.884 38.372 1.00 21.61 ? 76 PRO A CB 1
933
+ ATOM 564 C CG . PRO A 1 76 ? 17.143 34.222 37.522 1.00 22.86 ? 76 PRO A CG 1
934
+ ATOM 565 C CD . PRO A 1 76 ? 17.533 32.755 37.560 1.00 22.07 ? 76 PRO A CD 1
935
+ ATOM 566 N N . ILE A 1 77 ? 21.488 34.916 39.127 1.00 17.20 ? 77 ILE A N 1
936
+ ATOM 567 C CA . ILE A 1 77 ? 22.490 35.045 40.139 1.00 16.98 ? 77 ILE A CA 1
937
+ ATOM 568 C C . ILE A 1 77 ? 22.828 36.537 40.280 1.00 16.81 ? 77 ILE A C 1
938
+ ATOM 569 O O . ILE A 1 77 ? 22.474 37.348 39.412 1.00 17.01 ? 77 ILE A O 1
939
+ ATOM 570 C CB . ILE A 1 77 ? 23.780 34.252 39.780 1.00 16.94 ? 77 ILE A CB 1
940
+ ATOM 571 C CG1 . ILE A 1 77 ? 24.341 34.743 38.397 1.00 18.49 ? 77 ILE A CG1 1
941
+ ATOM 572 C CG2 . ILE A 1 77 ? 23.511 32.699 39.883 1.00 16.37 ? 77 ILE A CG2 1
942
+ ATOM 573 C CD1 . ILE A 1 77 ? 25.726 34.234 37.934 1.00 16.09 ? 77 ILE A CD1 1
943
+ ATOM 574 N N . ARG A 1 78 ? 23.503 36.883 41.372 1.00 17.35 ? 78 ARG A N 1
944
+ ATOM 575 C CA . ARG A 1 78 ? 23.956 38.267 41.616 1.00 17.42 ? 78 ARG A CA 1
945
+ ATOM 576 C C . ARG A 1 78 ? 25.475 38.304 41.650 1.00 17.34 ? 78 ARG A C 1
946
+ ATOM 577 O O . ARG A 1 78 ? 26.095 37.325 42.044 1.00 16.20 ? 78 ARG A O 1
947
+ ATOM 578 C CB . ARG A 1 78 ? 23.425 38.771 42.966 1.00 18.11 ? 78 ARG A CB 1
948
+ ATOM 579 C CG . ARG A 1 78 ? 21.900 38.800 43.113 1.00 17.26 ? 78 ARG A CG 1
949
+ ATOM 580 C CD . ARG A 1 78 ? 21.228 39.581 41.971 1.00 17.40 ? 78 ARG A CD 1
950
+ ATOM 581 N NE . ARG A 1 78 ? 21.618 41.003 41.896 1.00 13.52 ? 78 ARG A NE 1
951
+ ATOM 582 C CZ . ARG A 1 78 ? 21.113 41.837 40.987 1.00 14.47 ? 78 ARG A CZ 1
952
+ ATOM 583 N NH1 . ARG A 1 78 ? 20.232 41.395 40.107 1.00 15.21 ? 78 ARG A NH1 1
953
+ ATOM 584 N NH2 . ARG A 1 78 ? 21.467 43.109 40.940 1.00 16.52 ? 78 ARG A NH2 1
954
+ ATOM 585 N N . ILE A 1 79 ? 26.081 39.423 41.236 1.00 17.81 ? 79 ILE A N 1
955
+ ATOM 586 C CA . ILE A 1 79 ? 27.559 39.586 41.331 1.00 17.49 ? 79 ILE A CA 1
956
+ ATOM 587 C C . ILE A 1 79 ? 27.895 40.801 42.176 1.00 18.02 ? 79 ILE A C 1
957
+ ATOM 588 O O . ILE A 1 79 ? 27.359 41.865 41.922 1.00 18.23 ? 79 ILE A O 1
958
+ ATOM 589 C CB . ILE A 1 79 ? 28.231 39.740 39.919 1.00 17.52 ? 79 ILE A CB 1
959
+ ATOM 590 C CG1 . ILE A 1 79 ? 27.771 38.619 38.967 1.00 18.52 ? 79 ILE A CG1 1
960
+ ATOM 591 C CG2 . ILE A 1 79 ? 29.746 39.795 40.022 1.00 17.20 ? 79 ILE A CG2 1
961
+ ATOM 592 C CD1 . ILE A 1 79 ? 28.017 38.945 37.419 1.00 18.94 ? 79 ILE A CD1 1
962
+ ATOM 593 N N . ARG A 1 80 ? 28.763 40.634 43.178 1.00 17.09 ? 80 ARG A N 1
963
+ ATOM 594 C CA . ARG A 1 80 ? 29.126 41.697 44.126 1.00 17.66 ? 80 ARG A CA 1
964
+ ATOM 595 C C . ARG A 1 80 ? 30.642 41.687 44.362 1.00 17.71 ? 80 ARG A C 1
965
+ ATOM 596 O O . ARG A 1 80 ? 31.310 40.639 44.227 1.00 18.07 ? 80 ARG A O 1
966
+ ATOM 597 C CB . ARG A 1 80 ? 28.393 41.504 45.494 1.00 16.55 ? 80 ARG A CB 1
967
+ ATOM 598 C CG . ARG A 1 80 ? 28.909 40.304 46.314 1.00 15.73 ? 80 ARG A CG 1
968
+ ATOM 599 C CD . ARG A 1 80 ? 27.892 39.855 47.341 1.00 19.51 ? 80 ARG A CD 1
969
+ ATOM 600 N NE . ARG A 1 80 ? 28.482 38.934 48.316 1.00 20.27 ? 80 ARG A NE 1
970
+ ATOM 601 C CZ . ARG A 1 80 ? 27.842 38.366 49.339 1.00 21.23 ? 80 ARG A CZ 1
971
+ ATOM 602 N NH1 . ARG A 1 80 ? 26.525 38.580 49.592 1.00 15.87 ? 80 ARG A NH1 1
972
+ ATOM 603 N NH2 . ARG A 1 80 ? 28.551 37.582 50.129 1.00 18.25 ? 80 ARG A NH2 1
973
+ ATOM 604 N N . TRP A 1 81 ? 31.194 42.847 44.694 1.00 18.88 ? 81 TRP A N 1
974
+ ATOM 605 C CA . TRP A 1 81 ? 32.554 42.913 45.239 1.00 18.55 ? 81 TRP A CA 1
975
+ ATOM 606 C C . TRP A 1 81 ? 32.616 42.041 46.491 1.00 20.04 ? 81 TRP A C 1
976
+ ATOM 607 O O . TRP A 1 81 ? 31.695 42.044 47.322 1.00 19.68 ? 81 TRP A O 1
977
+ ATOM 608 C CB . TRP A 1 81 ? 32.859 44.346 45.650 1.00 19.60 ? 81 TRP A CB 1
978
+ ATOM 609 C CG . TRP A 1 81 ? 33.081 45.347 44.534 1.00 17.44 ? 81 TRP A CG 1
979
+ ATOM 610 C CD1 . TRP A 1 81 ? 32.512 46.591 44.426 1.00 18.04 ? 81 TRP A CD1 1
980
+ ATOM 611 C CD2 . TRP A 1 81 ? 33.942 45.194 43.388 1.00 18.06 ? 81 TRP A CD2 1
981
+ ATOM 612 N NE1 . TRP A 1 81 ? 32.979 47.220 43.315 1.00 16.88 ? 81 TRP A NE1 1
982
+ ATOM 613 C CE2 . TRP A 1 81 ? 33.852 46.386 42.648 1.00 17.15 ? 81 TRP A CE2 1
983
+ ATOM 614 C CE3 . TRP A 1 81 ? 34.802 44.167 42.937 1.00 15.66 ? 81 TRP A CE3 1
984
+ ATOM 615 C CZ2 . TRP A 1 81 ? 34.598 46.607 41.456 1.00 19.93 ? 81 TRP A CZ2 1
985
+ ATOM 616 C CZ3 . TRP A 1 81 ? 35.528 44.366 41.765 1.00 19.68 ? 81 TRP A CZ3 1
986
+ ATOM 617 C CH2 . TRP A 1 81 ? 35.419 45.586 41.027 1.00 18.64 ? 81 TRP A CH2 1
987
+ ATOM 618 N N . THR A 1 82 ? 33.692 41.287 46.645 1.00 20.22 ? 82 THR A N 1
988
+ ATOM 619 C CA . THR A 1 82 ? 34.010 40.687 47.936 1.00 21.58 ? 82 THR A CA 1
989
+ ATOM 620 C C . THR A 1 82 ? 34.239 41.814 48.964 1.00 23.58 ? 82 THR A C 1
990
+ ATOM 621 O O . THR A 1 82 ? 34.901 42.833 48.669 1.00 23.13 ? 82 THR A O 1
991
+ ATOM 622 C CB . THR A 1 82 ? 35.271 39.832 47.822 1.00 21.00 ? 82 THR A CB 1
992
+ ATOM 623 O OG1 . THR A 1 82 ? 35.066 38.868 46.797 1.00 19.09 ? 82 THR A OG1 1
993
+ ATOM 624 C CG2 . THR A 1 82 ? 35.583 39.076 49.105 1.00 21.36 ? 82 THR A CG2 1
994
+ ATOM 625 N N . ARG A 1 83 ? 33.682 41.647 50.162 1.00 25.32 ? 83 ARG A N 1
995
+ ATOM 626 C CA . ARG A 1 83 ? 33.905 42.632 51.225 1.00 27.44 ? 83 ARG A CA 1
996
+ ATOM 627 C C . ARG A 1 83 ? 34.448 42.060 52.536 1.00 28.93 ? 83 ARG A C 1
997
+ ATOM 628 O O . ARG A 1 83 ? 34.330 42.678 53.591 1.00 29.38 ? 83 ARG A O 1
998
+ ATOM 629 C CB . ARG A 1 83 ? 32.637 43.472 51.465 1.00 28.56 ? 83 ARG A CB 1
999
+ ATOM 630 C CG . ARG A 1 83 ? 32.374 44.504 50.337 1.00 28.27 ? 83 ARG A CG 1
1000
+ ATOM 631 C CD . ARG A 1 83 ? 31.337 45.546 50.783 1.00 27.41 ? 83 ARG A CD 1
1001
+ ATOM 632 N NE . ARG A 1 83 ? 31.804 46.318 51.924 1.00 24.80 ? 83 ARG A NE 1
1002
+ ATOM 633 C CZ . ARG A 1 83 ? 32.560 47.407 51.812 1.00 28.16 ? 83 ARG A CZ 1
1003
+ ATOM 634 N NH1 . ARG A 1 83 ? 32.932 47.841 50.599 1.00 24.18 ? 83 ARG A NH1 1
1004
+ ATOM 635 N NH2 . ARG A 1 83 ? 32.970 48.053 52.908 1.00 27.89 ? 83 ARG A NH2 1
1005
+ ATOM 636 N N . THR A 1 84 ? 35.082 40.886 52.453 1.00 29.95 ? 84 THR A N 1
1006
+ ATOM 637 C CA . THR A 1 84 ? 35.643 40.226 53.611 1.00 30.21 ? 84 THR A CA 1
1007
+ ATOM 638 C C . THR A 1 84 ? 36.695 41.155 54.240 1.00 31.70 ? 84 THR A C 1
1008
+ ATOM 639 O O . THR A 1 84 ? 37.504 41.792 53.543 1.00 31.77 ? 84 THR A O 1
1009
+ ATOM 640 C CB . THR A 1 84 ? 36.265 38.812 53.249 1.00 30.35 ? 84 THR A CB 1
1010
+ ATOM 641 O OG1 . THR A 1 84 ? 35.499 38.180 52.210 1.00 27.07 ? 84 THR A OG1 1
1011
+ ATOM 642 C CG2 . THR A 1 84 ? 36.350 37.875 54.522 1.00 28.79 ? 84 THR A CG2 1
1012
+ ATOM 643 N N . ASP A 1 85 ? 36.655 41.239 55.565 1.00 32.55 ? 85 ASP A N 1
1013
+ ATOM 644 C CA . ASP A 1 85 ? 37.593 42.064 56.325 1.00 33.07 ? 85 ASP A CA 1
1014
+ ATOM 645 C C . ASP A 1 85 ? 39.029 41.659 56.037 1.00 33.00 ? 85 ASP A C 1
1015
+ ATOM 646 O O . ASP A 1 85 ? 39.391 40.505 55.895 1.00 32.08 ? 85 ASP A O 1
1016
+ ATOM 647 C CB . ASP A 1 85 ? 37.301 41.977 57.827 1.00 32.19 ? 85 ASP A CB 1
1017
+ ATOM 648 C CG . ASP A 1 85 ? 35.998 42.657 58.221 1.00 33.97 ? 85 ASP A CG 1
1018
+ ATOM 649 O OD1 . ASP A 1 85 ? 35.737 43.795 57.777 1.00 35.72 ? 85 ASP A OD1 1
1019
+ ATOM 650 O OD2 . ASP A 1 85 ? 35.224 42.062 58.990 1.00 34.57 ? 85 ASP A OD2 1
1020
+ ATOM 651 O OXT . ASP A 1 85 ? 39.877 42.521 55.956 1.00 34.66 ? 85 ASP A OXT 1
1021
+ #
1022
+ loop_
1023
+ _pdbx_audit_revision_history.ordinal
1024
+ _pdbx_audit_revision_history.data_content_type
1025
+ _pdbx_audit_revision_history.major_revision
1026
+ _pdbx_audit_revision_history.minor_revision
1027
+ _pdbx_audit_revision_history.revision_date
1028
+ 1 'Structure model' 1 0 2006-12-05
1029
+ 2 'Structure model' 1 1 2008-05-01
1030
+ 3 'Structure model' 1 2 2011-07-13
1031
+ #
mmcifs/2NS6_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/2NS9_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/2NSA_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/2NSC_A.cif ADDED
@@ -0,0 +1,1298 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_2NSC_A
2
+ #
3
+ _pdbx_database_status.entry_id 2NSC_A
4
+ _pdbx_database_status.status_code .
5
+ _pdbx_database_status.status_code_sf ?
6
+ _pdbx_database_status.status_code_mr ?
7
+ _pdbx_database_status.status_code_cs ?
8
+ _pdbx_database_status.recvd_initial_deposition_date ?
9
+ _pdbx_database_status.status_code_nmr_data ?
10
+ _pdbx_database_status.deposit_site ?
11
+ _pdbx_database_status.process_site ?
12
+ _pdbx_database_status.SG_entry ?
13
+ _pdbx_database_status.pdb_format_compatible Y
14
+ _pdbx_database_status.methods_development_category ?
15
+ #
16
+ _entity_poly.entity_id 1
17
+ _entity_poly.type "polypeptide(L)"
18
+ _entity_poly.nstd_linkage no
19
+ _entity_poly.nstd_monomer no
20
+ _entity_poly.pdbx_seq_one_letter_code
21
+ ;MEVKELERDKNRVVLEYVFGAEEIAQAEDKAVRYLNQRVEIPGFRKGRIPKNVLKMKLGEEFQEYTLDFLMDLIPDTLKD
22
+ RKLILSPIVTERELKDVTARVVVEVHEEP
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;MEVKELERDKNRVVLEYVFGAEEIAQAEDKAVRYLNQRVEIPGFRKGRIPKNVLKMKLGEEFQEYTLDFLMDLIPDTLKD
26
+ RKLILSPIVTERELKDVTARVVVEVHEEP
27
+ ;
28
+ _entity_poly.pdbx_strand_id A
29
+ _entity_poly.pdbx_target_identifier ?
30
+ #
31
+ loop_
32
+ _entity_poly_seq.entity_id
33
+ _entity_poly_seq.num
34
+ _entity_poly_seq.mon_id
35
+ _entity_poly_seq.hetero
36
+ 1 1 MET n
37
+ 1 2 GLU n
38
+ 1 3 VAL n
39
+ 1 4 LYS n
40
+ 1 5 GLU n
41
+ 1 6 LEU n
42
+ 1 7 GLU n
43
+ 1 8 ARG n
44
+ 1 9 ASP n
45
+ 1 10 LYS n
46
+ 1 11 ASN n
47
+ 1 12 ARG n
48
+ 1 13 VAL n
49
+ 1 14 VAL n
50
+ 1 15 LEU n
51
+ 1 16 GLU n
52
+ 1 17 TYR n
53
+ 1 18 VAL n
54
+ 1 19 PHE n
55
+ 1 20 GLY n
56
+ 1 21 ALA n
57
+ 1 22 GLU n
58
+ 1 23 GLU n
59
+ 1 24 ILE n
60
+ 1 25 ALA n
61
+ 1 26 GLN n
62
+ 1 27 ALA n
63
+ 1 28 GLU n
64
+ 1 29 ASP n
65
+ 1 30 LYS n
66
+ 1 31 ALA n
67
+ 1 32 VAL n
68
+ 1 33 ARG n
69
+ 1 34 TYR n
70
+ 1 35 LEU n
71
+ 1 36 ASN n
72
+ 1 37 GLN n
73
+ 1 38 ARG n
74
+ 1 39 VAL n
75
+ 1 40 GLU n
76
+ 1 41 ILE n
77
+ 1 42 PRO n
78
+ 1 43 GLY n
79
+ 1 44 PHE n
80
+ 1 45 ARG n
81
+ 1 46 LYS n
82
+ 1 47 GLY n
83
+ 1 48 ARG n
84
+ 1 49 ILE n
85
+ 1 50 PRO n
86
+ 1 51 LYS n
87
+ 1 52 ASN n
88
+ 1 53 VAL n
89
+ 1 54 LEU n
90
+ 1 55 LYS n
91
+ 1 56 MET n
92
+ 1 57 LYS n
93
+ 1 58 LEU n
94
+ 1 59 GLY n
95
+ 1 60 GLU n
96
+ 1 61 GLU n
97
+ 1 62 PHE n
98
+ 1 63 GLN n
99
+ 1 64 GLU n
100
+ 1 65 TYR n
101
+ 1 66 THR n
102
+ 1 67 LEU n
103
+ 1 68 ASP n
104
+ 1 69 PHE n
105
+ 1 70 LEU n
106
+ 1 71 MET n
107
+ 1 72 ASP n
108
+ 1 73 LEU n
109
+ 1 74 ILE n
110
+ 1 75 PRO n
111
+ 1 76 ASP n
112
+ 1 77 THR n
113
+ 1 78 LEU n
114
+ 1 79 LYS n
115
+ 1 80 ASP n
116
+ 1 81 ARG n
117
+ 1 82 LYS n
118
+ 1 83 LEU n
119
+ 1 84 ILE n
120
+ 1 85 LEU n
121
+ 1 86 SER n
122
+ 1 87 PRO n
123
+ 1 88 ILE n
124
+ 1 89 VAL n
125
+ 1 90 THR n
126
+ 1 91 GLU n
127
+ 1 92 ARG n
128
+ 1 93 GLU n
129
+ 1 94 LEU n
130
+ 1 95 LYS n
131
+ 1 96 ASP n
132
+ 1 97 VAL n
133
+ 1 98 THR n
134
+ 1 99 ALA n
135
+ 1 100 ARG n
136
+ 1 101 VAL n
137
+ 1 102 VAL n
138
+ 1 103 VAL n
139
+ 1 104 GLU n
140
+ 1 105 VAL n
141
+ 1 106 HIS n
142
+ 1 107 GLU n
143
+ 1 108 GLU n
144
+ 1 109 PRO n
145
+ #
146
+ _entity.id 1
147
+ _entity.type polymer
148
+ _entity.src_method man
149
+ _entity.pdbx_description ?
150
+ _entity.formula_weight 12818.841
151
+ _entity.pdbx_number_of_molecules 1
152
+ _entity.pdbx_ec ?
153
+ _entity.pdbx_mutation ?
154
+ _entity.pdbx_fragment ?
155
+ _entity.details ?
156
+ #
157
+ loop_
158
+ _pdbx_poly_seq_scheme.asym_id
159
+ _pdbx_poly_seq_scheme.entity_id
160
+ _pdbx_poly_seq_scheme.seq_id
161
+ _pdbx_poly_seq_scheme.mon_id
162
+ _pdbx_poly_seq_scheme.ndb_seq_num
163
+ _pdbx_poly_seq_scheme.pdb_seq_num
164
+ _pdbx_poly_seq_scheme.auth_seq_num
165
+ _pdbx_poly_seq_scheme.pdb_mon_id
166
+ _pdbx_poly_seq_scheme.auth_mon_id
167
+ _pdbx_poly_seq_scheme.pdb_strand_id
168
+ _pdbx_poly_seq_scheme.pdb_ins_code
169
+ _pdbx_poly_seq_scheme.hetero
170
+ A 1 1 MET 1 1 1 MET MET A . n
171
+ A 1 2 GLU 2 2 2 GLU GLU A . n
172
+ A 1 3 VAL 3 3 3 VAL VAL A . n
173
+ A 1 4 LYS 4 4 4 LYS LYS A . n
174
+ A 1 5 GLU 5 5 5 GLU GLU A . n
175
+ A 1 6 LEU 6 6 6 LEU LEU A . n
176
+ A 1 7 GLU 7 7 7 GLU GLU A . n
177
+ A 1 8 ARG 8 8 8 ARG ARG A . n
178
+ A 1 9 ASP 9 9 9 ASP ASP A . n
179
+ A 1 10 LYS 10 10 10 LYS LYS A . n
180
+ A 1 11 ASN 11 11 11 ASN ASN A . n
181
+ A 1 12 ARG 12 12 12 ARG ARG A . n
182
+ A 1 13 VAL 13 13 13 VAL VAL A . n
183
+ A 1 14 VAL 14 14 14 VAL VAL A . n
184
+ A 1 15 LEU 15 15 15 LEU LEU A . n
185
+ A 1 16 GLU 16 16 16 GLU GLU A . n
186
+ A 1 17 TYR 17 17 17 TYR TYR A . n
187
+ A 1 18 VAL 18 18 18 VAL VAL A . n
188
+ A 1 19 PHE 19 19 19 PHE PHE A . n
189
+ A 1 20 GLY 20 20 20 GLY GLY A . n
190
+ A 1 21 ALA 21 21 21 ALA ALA A . n
191
+ A 1 22 GLU 22 22 22 GLU GLU A . n
192
+ A 1 23 GLU 23 23 23 GLU GLU A . n
193
+ A 1 24 ILE 24 24 24 ILE ILE A . n
194
+ A 1 25 ALA 25 25 25 ALA ALA A . n
195
+ A 1 26 GLN 26 26 26 GLN GLN A . n
196
+ A 1 27 ALA 27 27 27 ALA ALA A . n
197
+ A 1 28 GLU 28 28 28 GLU GLU A . n
198
+ A 1 29 ASP 29 29 29 ASP ASP A . n
199
+ A 1 30 LYS 30 30 30 LYS LYS A . n
200
+ A 1 31 ALA 31 31 31 ALA ALA A . n
201
+ A 1 32 VAL 32 32 32 VAL VAL A . n
202
+ A 1 33 ARG 33 33 33 ARG ARG A . n
203
+ A 1 34 TYR 34 34 34 TYR TYR A . n
204
+ A 1 35 LEU 35 35 35 LEU LEU A . n
205
+ A 1 36 ASN 36 36 36 ASN ASN A . n
206
+ A 1 37 GLN 37 37 37 GLN GLN A . n
207
+ A 1 38 ARG 38 38 38 ARG ARG A . n
208
+ A 1 39 VAL 39 39 39 VAL VAL A . n
209
+ A 1 40 GLU 40 40 40 GLU GLU A . n
210
+ A 1 41 ILE 41 41 41 ILE ILE A . n
211
+ A 1 42 PRO 42 42 42 PRO PRO A . n
212
+ A 1 43 GLY 43 43 43 GLY GLY A . n
213
+ A 1 44 PHE 44 44 44 PHE PHE A . n
214
+ A 1 45 ARG 45 45 45 ARG ARG A . n
215
+ A 1 46 LYS 46 46 46 LYS LYS A . n
216
+ A 1 47 GLY 47 47 47 GLY GLY A . n
217
+ A 1 48 ARG 48 48 48 ARG ARG A . n
218
+ A 1 49 ILE 49 49 49 ILE ILE A . n
219
+ A 1 50 PRO 50 50 50 PRO PRO A . n
220
+ A 1 51 LYS 51 51 51 LYS LYS A . n
221
+ A 1 52 ASN 52 52 52 ASN ASN A . n
222
+ A 1 53 VAL 53 53 53 VAL VAL A . n
223
+ A 1 54 LEU 54 54 54 LEU LEU A . n
224
+ A 1 55 LYS 55 55 55 LYS LYS A . n
225
+ A 1 56 MET 56 56 56 MET MET A . n
226
+ A 1 57 LYS 57 57 57 LYS LYS A . n
227
+ A 1 58 LEU 58 58 58 LEU LEU A . n
228
+ A 1 59 GLY 59 59 59 GLY GLY A . n
229
+ A 1 60 GLU 60 60 60 GLU GLU A . n
230
+ A 1 61 GLU 61 61 61 GLU GLU A . n
231
+ A 1 62 PHE 62 62 62 PHE PHE A . n
232
+ A 1 63 GLN 63 63 63 GLN GLN A . n
233
+ A 1 64 GLU 64 64 64 GLU GLU A . n
234
+ A 1 65 TYR 65 65 65 TYR TYR A . n
235
+ A 1 66 THR 66 66 66 THR THR A . n
236
+ A 1 67 LEU 67 67 67 LEU LEU A . n
237
+ A 1 68 ASP 68 68 68 ASP ASP A . n
238
+ A 1 69 PHE 69 69 69 PHE PHE A . n
239
+ A 1 70 LEU 70 70 70 LEU LEU A . n
240
+ A 1 71 MET 71 71 71 MET MET A . n
241
+ A 1 72 ASP 72 72 72 ASP ASP A . n
242
+ A 1 73 LEU 73 73 73 LEU LEU A . n
243
+ A 1 74 ILE 74 74 74 ILE ILE A . n
244
+ A 1 75 PRO 75 75 75 PRO PRO A . n
245
+ A 1 76 ASP 76 76 76 ASP ASP A . n
246
+ A 1 77 THR 77 77 77 THR THR A . n
247
+ A 1 78 LEU 78 78 78 LEU LEU A . n
248
+ A 1 79 LYS 79 79 79 LYS LYS A . n
249
+ A 1 80 ASP 80 80 80 ASP ASP A . n
250
+ A 1 81 ARG 81 81 81 ARG ARG A . n
251
+ A 1 82 LYS 82 82 82 LYS LYS A . n
252
+ A 1 83 LEU 83 83 83 LEU LEU A . n
253
+ A 1 84 ILE 84 84 84 ILE ILE A . n
254
+ A 1 85 LEU 85 85 85 LEU LEU A . n
255
+ A 1 86 SER 86 86 86 SER SER A . n
256
+ A 1 87 PRO 87 87 87 PRO PRO A . n
257
+ A 1 88 ILE 88 88 88 ILE ILE A . n
258
+ A 1 89 VAL 89 89 89 VAL VAL A . n
259
+ A 1 90 THR 90 90 90 THR THR A . n
260
+ A 1 91 GLU 91 91 91 GLU GLU A . n
261
+ A 1 92 ARG 92 92 92 ARG ARG A . n
262
+ A 1 93 GLU 93 93 93 GLU GLU A . n
263
+ A 1 94 LEU 94 94 94 LEU LEU A . n
264
+ A 1 95 LYS 95 95 95 LYS LYS A . n
265
+ A 1 96 ASP 96 96 96 ASP ASP A . n
266
+ A 1 97 VAL 97 97 97 VAL VAL A . n
267
+ A 1 98 THR 98 98 98 THR THR A . n
268
+ A 1 99 ALA 99 99 99 ALA ALA A . n
269
+ A 1 100 ARG 100 100 100 ARG ARG A . n
270
+ A 1 101 VAL 101 101 101 VAL VAL A . n
271
+ A 1 102 VAL 102 102 102 VAL VAL A . n
272
+ A 1 103 VAL 103 103 103 VAL VAL A . n
273
+ A 1 104 GLU 104 104 104 GLU GLU A . n
274
+ A 1 105 VAL 105 105 105 VAL VAL A . n
275
+ A 1 106 HIS 106 106 106 HIS HIS A . n
276
+ A 1 107 GLU 107 107 107 GLU GLU A . n
277
+ A 1 108 GLU 108 108 108 GLU GLU A . n
278
+ A 1 109 PRO 109 109 109 PRO PRO A . n
279
+ #
280
+ loop_
281
+ _chem_comp.id
282
+ _chem_comp.type
283
+ _chem_comp.mon_nstd_flag
284
+ _chem_comp.name
285
+ _chem_comp.pdbx_synonyms
286
+ _chem_comp.formula
287
+ _chem_comp.formula_weight
288
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
289
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
290
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
291
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
292
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
293
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
294
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
295
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
296
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
297
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
298
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
299
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
300
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
301
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
302
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
303
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
304
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
305
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
306
+ #
307
+ _struct_asym.id A
308
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
309
+ _struct_asym.pdbx_modified N
310
+ _struct_asym.entity_id 1
311
+ _struct_asym.details ?
312
+ #
313
+ _atom_sites.entry_id 2NSC_A
314
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
315
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
316
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
317
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
318
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
319
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
320
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
321
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
322
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
323
+ _atom_sites.fract_transf_vector[1] 0.00000
324
+ _atom_sites.fract_transf_vector[2] 0.00000
325
+ _atom_sites.fract_transf_vector[3] 0.00000
326
+ #
327
+ loop_
328
+ _pdbx_validate_torsion.id
329
+ _pdbx_validate_torsion.PDB_model_num
330
+ _pdbx_validate_torsion.auth_comp_id
331
+ _pdbx_validate_torsion.auth_asym_id
332
+ _pdbx_validate_torsion.auth_seq_id
333
+ _pdbx_validate_torsion.PDB_ins_code
334
+ _pdbx_validate_torsion.label_alt_id
335
+ _pdbx_validate_torsion.phi
336
+ _pdbx_validate_torsion.psi
337
+ 1 1 LYS A 10 ? ? 65.68 -116.24
338
+ 2 1 LYS A 46 ? ? -51.85 109.84
339
+ #
340
+ loop_
341
+ _pdbx_unobs_or_zero_occ_atoms.id
342
+ _pdbx_unobs_or_zero_occ_atoms.PDB_model_num
343
+ _pdbx_unobs_or_zero_occ_atoms.polymer_flag
344
+ _pdbx_unobs_or_zero_occ_atoms.occupancy_flag
345
+ _pdbx_unobs_or_zero_occ_atoms.auth_asym_id
346
+ _pdbx_unobs_or_zero_occ_atoms.auth_comp_id
347
+ _pdbx_unobs_or_zero_occ_atoms.auth_seq_id
348
+ _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
349
+ _pdbx_unobs_or_zero_occ_atoms.auth_atom_id
350
+ _pdbx_unobs_or_zero_occ_atoms.label_alt_id
351
+ _pdbx_unobs_or_zero_occ_atoms.label_asym_id
352
+ _pdbx_unobs_or_zero_occ_atoms.label_comp_id
353
+ _pdbx_unobs_or_zero_occ_atoms.label_seq_id
354
+ _pdbx_unobs_or_zero_occ_atoms.label_atom_id
355
+ 1 1 Y 1 A PRO 109 ? CG ? A PRO 109 CG
356
+ 2 1 Y 1 A PRO 109 ? CD ? A PRO 109 CD
357
+ #
358
+ loop_
359
+ _atom_type.symbol
360
+ C
361
+ N
362
+ O
363
+ S
364
+ #
365
+ _entry.id 2NSC_A
366
+ #
367
+ loop_
368
+ _atom_site.group_PDB
369
+ _atom_site.id
370
+ _atom_site.type_symbol
371
+ _atom_site.label_atom_id
372
+ _atom_site.label_alt_id
373
+ _atom_site.label_comp_id
374
+ _atom_site.label_asym_id
375
+ _atom_site.label_entity_id
376
+ _atom_site.label_seq_id
377
+ _atom_site.pdbx_PDB_ins_code
378
+ _atom_site.Cartn_x
379
+ _atom_site.Cartn_y
380
+ _atom_site.Cartn_z
381
+ _atom_site.occupancy
382
+ _atom_site.B_iso_or_equiv
383
+ _atom_site.pdbx_formal_charge
384
+ _atom_site.auth_seq_id
385
+ _atom_site.auth_comp_id
386
+ _atom_site.auth_asym_id
387
+ _atom_site.auth_atom_id
388
+ _atom_site.pdbx_PDB_model_num
389
+ ATOM 1 N N . MET A 1 1 ? 36.242 2.948 30.795 1.00 33.90 ? 1 MET A N 1
390
+ ATOM 2 C CA . MET A 1 1 ? 36.014 1.879 29.775 1.00 33.64 ? 1 MET A CA 1
391
+ ATOM 3 C C . MET A 1 1 ? 35.435 2.511 28.520 1.00 32.15 ? 1 MET A C 1
392
+ ATOM 4 O O . MET A 1 1 ? 34.528 3.325 28.606 1.00 31.57 ? 1 MET A O 1
393
+ ATOM 5 C CB . MET A 1 1 ? 35.051 0.829 30.322 1.00 33.73 ? 1 MET A CB 1
394
+ ATOM 6 C CG . MET A 1 1 ? 34.593 -0.219 29.324 1.00 33.55 ? 1 MET A CG 1
395
+ ATOM 7 S SD . MET A 1 1 ? 33.176 -1.160 29.939 1.00 37.34 ? 1 MET A SD 1
396
+ ATOM 8 C CE . MET A 1 1 ? 33.997 -2.488 30.764 1.00 34.51 ? 1 MET A CE 1
397
+ ATOM 9 N N . GLU A 1 2 ? 35.959 2.131 27.360 1.00 30.94 ? 2 GLU A N 1
398
+ ATOM 10 C CA . GLU A 1 2 ? 35.470 2.665 26.091 1.00 30.95 ? 2 GLU A CA 1
399
+ ATOM 11 C C . GLU A 1 2 ? 35.140 1.531 25.128 1.00 29.17 ? 2 GLU A C 1
400
+ ATOM 12 O O . GLU A 1 2 ? 36.011 0.734 24.791 1.00 28.71 ? 2 GLU A O 1
401
+ ATOM 13 C CB . GLU A 1 2 ? 36.508 3.631 25.484 1.00 30.36 ? 2 GLU A CB 1
402
+ ATOM 14 C CG . GLU A 1 2 ? 36.873 4.794 26.433 1.00 33.37 ? 2 GLU A CG 1
403
+ ATOM 15 C CD . GLU A 1 2 ? 37.622 5.946 25.762 1.00 34.60 ? 2 GLU A CD 1
404
+ ATOM 16 O OE1 . GLU A 1 2 ? 38.711 5.705 25.177 1.00 38.80 ? 2 GLU A OE1 1
405
+ ATOM 17 O OE2 . GLU A 1 2 ? 37.130 7.103 25.848 1.00 40.27 ? 2 GLU A OE2 1
406
+ ATOM 18 N N . VAL A 1 3 ? 33.892 1.447 24.687 1.00 27.88 ? 3 VAL A N 1
407
+ ATOM 19 C CA . VAL A 1 3 ? 33.512 0.411 23.722 1.00 27.31 ? 3 VAL A CA 1
408
+ ATOM 20 C C . VAL A 1 3 ? 33.305 0.974 22.311 1.00 26.90 ? 3 VAL A C 1
409
+ ATOM 21 O O . VAL A 1 3 ? 32.683 2.015 22.124 1.00 27.29 ? 3 VAL A O 1
410
+ ATOM 22 C CB . VAL A 1 3 ? 32.263 -0.377 24.178 1.00 27.55 ? 3 VAL A CB 1
411
+ ATOM 23 C CG1 . VAL A 1 3 ? 31.069 0.537 24.281 1.00 28.72 ? 3 VAL A CG1 1
412
+ ATOM 24 C CG2 . VAL A 1 3 ? 31.959 -1.512 23.209 1.00 27.22 ? 3 VAL A CG2 1
413
+ ATOM 25 N N . LYS A 1 4 ? 33.833 0.282 21.317 1.00 26.17 ? 4 LYS A N 1
414
+ ATOM 26 C CA . LYS A 1 4 ? 33.730 0.747 19.951 1.00 26.37 ? 4 LYS A CA 1
415
+ ATOM 27 C C . LYS A 1 4 ? 33.118 -0.372 19.118 1.00 24.99 ? 4 LYS A C 1
416
+ ATOM 28 O O . LYS A 1 4 ? 33.535 -1.524 19.223 1.00 24.49 ? 4 LYS A O 1
417
+ ATOM 29 C CB . LYS A 1 4 ? 35.123 1.169 19.437 1.00 26.17 ? 4 LYS A CB 1
418
+ ATOM 30 C CG . LYS A 1 4 ? 35.196 1.474 17.952 1.00 28.19 ? 4 LYS A CG 1
419
+ ATOM 31 C CD . LYS A 1 4 ? 36.628 1.669 17.477 1.00 28.50 ? 4 LYS A CD 1
420
+ ATOM 32 C CE . LYS A 1 4 ? 36.681 1.869 15.962 1.00 33.96 ? 4 LYS A CE 1
421
+ ATOM 33 N NZ . LYS A 1 4 ? 38.103 1.864 15.454 1.00 37.09 ? 4 LYS A NZ 1
422
+ ATOM 34 N N . GLU A 1 5 ? 32.118 -0.044 18.308 1.00 24.51 ? 5 GLU A N 1
423
+ ATOM 35 C CA . GLU A 1 5 ? 31.530 -1.044 17.409 1.00 24.76 ? 5 GLU A CA 1
424
+ ATOM 36 C C . GLU A 1 5 ? 32.432 -1.209 16.185 1.00 24.92 ? 5 GLU A C 1
425
+ ATOM 37 O O . GLU A 1 5 ? 32.588 -0.284 15.404 1.00 24.67 ? 5 GLU A O 1
426
+ ATOM 38 C CB . GLU A 1 5 ? 30.102 -0.667 17.004 1.00 24.40 ? 5 GLU A CB 1
427
+ ATOM 39 C CG . GLU A 1 5 ? 29.426 -1.702 16.126 1.00 24.77 ? 5 GLU A CG 1
428
+ ATOM 40 C CD . GLU A 1 5 ? 27.997 -1.326 15.732 1.00 25.29 ? 5 GLU A CD 1
429
+ ATOM 41 O OE1 . GLU A 1 5 ? 27.137 -1.205 16.611 1.00 25.46 ? 5 GLU A OE1 1
430
+ ATOM 42 O OE2 . GLU A 1 5 ? 27.721 -1.175 14.529 1.00 28.50 ? 5 GLU A OE2 1
431
+ ATOM 43 N N . LEU A 1 6 ? 33.034 -2.384 16.028 1.00 25.61 ? 6 LEU A N 1
432
+ ATOM 44 C CA . LEU A 1 6 ? 33.903 -2.639 14.873 1.00 26.15 ? 6 LEU A CA 1
433
+ ATOM 45 C C . LEU A 1 6 ? 33.105 -2.952 13.613 1.00 27.21 ? 6 LEU A C 1
434
+ ATOM 46 O O . LEU A 1 6 ? 33.498 -2.565 12.513 1.00 27.83 ? 6 LEU A O 1
435
+ ATOM 47 C CB . LEU A 1 6 ? 34.901 -3.762 15.167 1.00 25.70 ? 6 LEU A CB 1
436
+ ATOM 48 C CG . LEU A 1 6 ? 35.927 -3.542 16.278 1.00 24.26 ? 6 LEU A CG 1
437
+ ATOM 49 C CD1 . LEU A 1 6 ? 36.839 -4.771 16.410 1.00 23.06 ? 6 LEU A CD1 1
438
+ ATOM 50 C CD2 . LEU A 1 6 ? 36.758 -2.276 16.017 1.00 23.48 ? 6 LEU A CD2 1
439
+ ATOM 51 N N . GLU A 1 7 ? 31.993 -3.666 13.770 1.00 27.98 ? 7 GLU A N 1
440
+ ATOM 52 C CA . GLU A 1 7 ? 31.118 -3.955 12.644 1.00 29.29 ? 7 GLU A CA 1
441
+ ATOM 53 C C . GLU A 1 7 ? 29.763 -4.480 13.067 1.00 29.41 ? 7 GLU A C 1
442
+ ATOM 54 O O . GLU A 1 7 ? 29.603 -5.074 14.149 1.00 28.89 ? 7 GLU A O 1
443
+ ATOM 55 C CB . GLU A 1 7 ? 31.770 -4.906 11.624 1.00 29.33 ? 7 GLU A CB 1
444
+ ATOM 56 C CG . GLU A 1 7 ? 31.827 -6.362 12.019 1.00 31.07 ? 7 GLU A CG 1
445
+ ATOM 57 C CD . GLU A 1 7 ? 32.505 -7.232 10.967 1.00 31.25 ? 7 GLU A CD 1
446
+ ATOM 58 O OE1 . GLU A 1 7 ? 32.096 -7.183 9.792 1.00 36.13 ? 7 GLU A OE1 1
447
+ ATOM 59 O OE2 . GLU A 1 7 ? 33.446 -7.975 11.310 1.00 34.54 ? 7 GLU A OE2 1
448
+ ATOM 60 N N . ARG A 1 8 ? 28.797 -4.241 12.187 1.00 29.82 ? 8 ARG A N 1
449
+ ATOM 61 C CA . ARG A 1 8 ? 27.470 -4.788 12.301 1.00 30.72 ? 8 ARG A CA 1
450
+ ATOM 62 C C . ARG A 1 8 ? 27.218 -5.619 11.056 1.00 31.11 ? 8 ARG A C 1
451
+ ATOM 63 O O . ARG A 1 8 ? 27.401 -5.148 9.933 1.00 30.82 ? 8 ARG A O 1
452
+ ATOM 64 C CB . ARG A 1 8 ? 26.454 -3.656 12.411 1.00 31.14 ? 8 ARG A CB 1
453
+ ATOM 65 C CG . ARG A 1 8 ? 25.043 -4.117 12.613 1.00 33.04 ? 8 ARG A CG 1
454
+ ATOM 66 C CD . ARG A 1 8 ? 24.138 -2.934 12.905 1.00 37.05 ? 8 ARG A CD 1
455
+ ATOM 67 N NE . ARG A 1 8 ? 23.906 -2.732 14.341 1.00 39.29 ? 8 ARG A NE 1
456
+ ATOM 68 C CZ . ARG A 1 8 ? 23.052 -3.453 15.078 1.00 38.65 ? 8 ARG A CZ 1
457
+ ATOM 69 N NH1 . ARG A 1 8 ? 22.360 -4.452 14.534 1.00 37.51 ? 8 ARG A NH1 1
458
+ ATOM 70 N NH2 . ARG A 1 8 ? 22.905 -3.187 16.370 1.00 38.58 ? 8 ARG A NH2 1
459
+ ATOM 71 N N . ASP A 1 9 ? 26.821 -6.866 11.262 1.00 31.56 ? 9 ASP A N 1
460
+ ATOM 72 C CA . ASP A 1 9 ? 26.532 -7.755 10.161 1.00 32.20 ? 9 ASP A CA 1
461
+ ATOM 73 C C . ASP A 1 9 ? 25.237 -8.484 10.465 1.00 31.97 ? 9 ASP A C 1
462
+ ATOM 74 O O . ASP A 1 9 ? 25.244 -9.564 11.067 1.00 32.02 ? 9 ASP A O 1
463
+ ATOM 75 C CB . ASP A 1 9 ? 27.701 -8.723 9.946 1.00 32.87 ? 9 ASP A CB 1
464
+ ATOM 76 C CG . ASP A 1 9 ? 27.360 -9.858 8.984 1.00 35.42 ? 9 ASP A CG 1
465
+ ATOM 77 O OD1 . ASP A 1 9 ? 26.492 -9.668 8.091 1.00 37.42 ? 9 ASP A OD1 1
466
+ ATOM 78 O OD2 . ASP A 1 9 ? 27.960 -10.948 9.138 1.00 37.81 ? 9 ASP A OD2 1
467
+ ATOM 79 N N . LYS A 1 10 ? 24.129 -7.869 10.050 1.00 31.39 ? 10 LYS A N 1
468
+ ATOM 80 C CA . LYS A 1 10 ? 22.771 -8.293 10.426 1.00 31.66 ? 10 LYS A CA 1
469
+ ATOM 81 C C . LYS A 1 10 ? 22.543 -8.105 11.930 1.00 30.10 ? 10 LYS A C 1
470
+ ATOM 82 O O . LYS A 1 10 ? 22.556 -6.981 12.396 1.00 30.15 ? 10 LYS A O 1
471
+ ATOM 83 C CB . LYS A 1 10 ? 22.433 -9.721 9.926 1.00 31.53 ? 10 LYS A CB 1
472
+ ATOM 84 C CG . LYS A 1 10 ? 22.629 -9.868 8.405 1.00 33.58 ? 10 LYS A CG 1
473
+ ATOM 85 C CD . LYS A 1 10 ? 22.338 -11.283 7.922 1.00 34.43 ? 10 LYS A CD 1
474
+ ATOM 86 C CE . LYS A 1 10 ? 22.380 -11.384 6.389 1.00 37.85 ? 10 LYS A CE 1
475
+ ATOM 87 N NZ . LYS A 1 10 ? 21.964 -12.769 5.906 1.00 39.90 ? 10 LYS A NZ 1
476
+ ATOM 88 N N . ASN A 1 11 ? 22.320 -9.185 12.675 1.00 28.88 ? 11 ASN A N 1
477
+ ATOM 89 C CA . ASN A 1 11 ? 22.176 -9.106 14.135 1.00 27.45 ? 11 ASN A CA 1
478
+ ATOM 90 C C . ASN A 1 11 ? 23.439 -9.526 14.853 1.00 26.34 ? 11 ASN A C 1
479
+ ATOM 91 O O . ASN A 1 11 ? 23.449 -9.670 16.077 1.00 26.48 ? 11 ASN A O 1
480
+ ATOM 92 C CB . ASN A 1 11 ? 21.033 -9.982 14.602 1.00 27.74 ? 11 ASN A CB 1
481
+ ATOM 93 C CG . ASN A 1 11 ? 19.719 -9.557 14.026 1.00 28.77 ? 11 ASN A CG 1
482
+ ATOM 94 O OD1 . ASN A 1 11 ? 19.304 -8.397 14.158 1.00 28.60 ? 11 ASN A OD1 1
483
+ ATOM 95 N ND2 . ASN A 1 11 ? 19.052 -10.489 13.369 1.00 28.77 ? 11 ASN A ND2 1
484
+ ATOM 96 N N . ARG A 1 12 ? 24.489 -9.737 14.071 1.00 24.50 ? 12 ARG A N 1
485
+ ATOM 97 C CA . ARG A 1 12 ? 25.800 -10.029 14.592 1.00 24.06 ? 12 ARG A CA 1
486
+ ATOM 98 C C . ARG A 1 12 ? 26.567 -8.709 14.734 1.00 23.06 ? 12 ARG A C 1
487
+ ATOM 99 O O . ARG A 1 12 ? 26.769 -7.995 13.746 1.00 22.57 ? 12 ARG A O 1
488
+ ATOM 100 C CB . ARG A 1 12 ? 26.517 -11.013 13.660 1.00 23.78 ? 12 ARG A CB 1
489
+ ATOM 101 C CG . ARG A 1 12 ? 27.894 -11.451 14.123 1.00 25.88 ? 12 ARG A CG 1
490
+ ATOM 102 C CD . ARG A 1 12 ? 28.667 -12.122 12.980 1.00 29.04 ? 12 ARG A CD 1
491
+ ATOM 103 N NE . ARG A 1 12 ? 30.101 -11.893 13.117 1.00 32.67 ? 12 ARG A NE 1
492
+ ATOM 104 C CZ . ARG A 1 12 ? 30.860 -11.309 12.198 1.00 33.95 ? 12 ARG A CZ 1
493
+ ATOM 105 N NH1 . ARG A 1 12 ? 30.329 -10.903 11.048 1.00 33.41 ? 12 ARG A NH1 1
494
+ ATOM 106 N NH2 . ARG A 1 12 ? 32.157 -11.140 12.426 1.00 35.44 ? 12 ARG A NH2 1
495
+ ATOM 107 N N . VAL A 1 13 ? 26.965 -8.387 15.970 1.00 22.05 ? 13 VAL A N 1
496
+ ATOM 108 C CA . VAL A 1 13 ? 27.710 -7.154 16.266 1.00 21.74 ? 13 VAL A CA 1
497
+ ATOM 109 C C . VAL A 1 13 ? 29.067 -7.461 16.919 1.00 21.16 ? 13 VAL A C 1
498
+ ATOM 110 O O . VAL A 1 13 ? 29.142 -8.270 17.839 1.00 20.65 ? 13 VAL A O 1
499
+ ATOM 111 C CB . VAL A 1 13 ? 26.890 -6.170 17.146 1.00 21.92 ? 13 VAL A CB 1
500
+ ATOM 112 C CG1 . VAL A 1 13 ? 27.631 -4.850 17.300 1.00 21.51 ? 13 VAL A CG1 1
501
+ ATOM 113 C CG2 . VAL A 1 13 ? 25.515 -5.919 16.532 1.00 22.02 ? 13 VAL A CG2 1
502
+ ATOM 114 N N . VAL A 1 14 ? 30.128 -6.828 16.414 1.00 20.66 ? 14 VAL A N 1
503
+ ATOM 115 C CA . VAL A 1 14 ? 31.493 -6.950 16.969 1.00 19.75 ? 14 VAL A CA 1
504
+ ATOM 116 C C . VAL A 1 14 ? 31.847 -5.679 17.754 1.00 19.67 ? 14 VAL A C 1
505
+ ATOM 117 O O . VAL A 1 14 ? 31.765 -4.549 17.242 1.00 19.57 ? 14 VAL A O 1
506
+ ATOM 118 C CB . VAL A 1 14 ? 32.534 -7.213 15.853 1.00 20.03 ? 14 VAL A CB 1
507
+ ATOM 119 C CG1 . VAL A 1 14 ? 33.928 -7.401 16.419 1.00 18.25 ? 14 VAL A CG1 1
508
+ ATOM 120 C CG2 . VAL A 1 14 ? 32.129 -8.431 15.031 1.00 19.59 ? 14 VAL A CG2 1
509
+ ATOM 121 N N . LEU A 1 15 ? 32.203 -5.865 19.014 1.00 18.76 ? 15 LEU A N 1
510
+ ATOM 122 C CA . LEU A 1 15 ? 32.456 -4.738 19.885 1.00 18.92 ? 15 LEU A CA 1
511
+ ATOM 123 C C . LEU A 1 15 ? 33.838 -4.906 20.456 1.00 18.74 ? 15 LEU A C 1
512
+ ATOM 124 O O . LEU A 1 15 ? 34.204 -6.012 20.858 1.00 18.85 ? 15 LEU A O 1
513
+ ATOM 125 C CB . LEU A 1 15 ? 31.445 -4.707 21.032 1.00 18.83 ? 15 LEU A CB 1
514
+ ATOM 126 C CG . LEU A 1 15 ? 29.945 -4.629 20.693 1.00 19.51 ? 15 LEU A CG 1
515
+ ATOM 127 C CD1 . LEU A 1 15 ? 29.142 -4.781 21.979 1.00 20.69 ? 15 LEU A CD1 1
516
+ ATOM 128 C CD2 . LEU A 1 15 ? 29.609 -3.311 20.026 1.00 15.69 ? 15 LEU A CD2 1
517
+ ATOM 129 N N . GLU A 1 16 ? 34.589 -3.812 20.488 1.00 18.43 ? 16 GLU A N 1
518
+ ATOM 130 C CA . GLU A 1 16 ? 35.912 -3.791 21.064 1.00 18.84 ? 16 GLU A CA 1
519
+ ATOM 131 C C . GLU A 1 16 ? 35.919 -2.944 22.328 1.00 18.85 ? 16 GLU A C 1
520
+ ATOM 132 O O . GLU A 1 16 ? 35.692 -1.719 22.269 1.00 18.99 ? 16 GLU A O 1
521
+ ATOM 133 C CB . GLU A 1 16 ? 36.894 -3.204 20.065 1.00 19.21 ? 16 GLU A CB 1
522
+ ATOM 134 C CG . GLU A 1 16 ? 38.305 -3.114 20.601 1.00 21.13 ? 16 GLU A CG 1
523
+ ATOM 135 C CD . GLU A 1 16 ? 39.255 -2.626 19.547 1.00 27.12 ? 16 GLU A CD 1
524
+ ATOM 136 O OE1 . GLU A 1 16 ? 39.212 -1.410 19.246 1.00 28.96 ? 16 GLU A OE1 1
525
+ ATOM 137 O OE2 . GLU A 1 16 ? 40.039 -3.457 19.013 1.00 29.77 ? 16 GLU A OE2 1
526
+ ATOM 138 N N . TYR A 1 17 ? 36.184 -3.597 23.460 1.00 18.46 ? 17 TYR A N 1
527
+ ATOM 139 C CA . TYR A 1 17 ? 36.241 -2.941 24.768 1.00 18.12 ? 17 TYR A CA 1
528
+ ATOM 140 C C . TYR A 1 17 ? 37.687 -2.597 25.075 1.00 18.59 ? 17 TYR A C 1
529
+ ATOM 141 O O . TYR A 1 17 ? 38.541 -3.462 25.034 1.00 19.02 ? 17 TYR A O 1
530
+ ATOM 142 C CB . TYR A 1 17 ? 35.682 -3.868 25.858 1.00 17.61 ? 17 TYR A CB 1
531
+ ATOM 143 C CG . TYR A 1 17 ? 34.181 -4.004 25.835 1.00 18.33 ? 17 TYR A CG 1
532
+ ATOM 144 C CD1 . TYR A 1 17 ? 33.392 -3.284 26.743 1.00 20.97 ? 17 TYR A CD1 1
533
+ ATOM 145 C CD2 . TYR A 1 17 ? 33.536 -4.811 24.888 1.00 17.32 ? 17 TYR A CD2 1
534
+ ATOM 146 C CE1 . TYR A 1 17 ? 31.986 -3.384 26.737 1.00 20.45 ? 17 TYR A CE1 1
535
+ ATOM 147 C CE2 . TYR A 1 17 ? 32.123 -4.921 24.852 1.00 18.29 ? 17 TYR A CE2 1
536
+ ATOM 148 C CZ . TYR A 1 17 ? 31.359 -4.202 25.786 1.00 20.00 ? 17 TYR A CZ 1
537
+ ATOM 149 O OH . TYR A 1 17 ? 29.997 -4.290 25.801 1.00 18.94 ? 17 TYR A OH 1
538
+ ATOM 150 N N . VAL A 1 18 ? 37.953 -1.328 25.364 1.00 18.61 ? 18 VAL A N 1
539
+ ATOM 151 C CA . VAL A 1 18 ? 39.278 -0.856 25.778 1.00 18.66 ? 18 VAL A CA 1
540
+ ATOM 152 C C . VAL A 1 18 ? 39.173 -0.393 27.233 1.00 18.93 ? 18 VAL A C 1
541
+ ATOM 153 O O . VAL A 1 18 ? 38.346 0.464 27.567 1.00 18.53 ? 18 VAL A O 1
542
+ ATOM 154 C CB . VAL A 1 18 ? 39.757 0.309 24.879 1.00 18.77 ? 18 VAL A CB 1
543
+ ATOM 155 C CG1 . VAL A 1 18 ? 41.100 0.881 25.366 1.00 18.46 ? 18 VAL A CG1 1
544
+ ATOM 156 C CG2 . VAL A 1 18 ? 39.873 -0.154 23.423 1.00 19.15 ? 18 VAL A CG2 1
545
+ ATOM 157 N N . PHE A 1 19 ? 40.015 -0.964 28.086 1.00 19.03 ? 19 PHE A N 1
546
+ ATOM 158 C CA . PHE A 1 19 ? 39.927 -0.749 29.517 1.00 19.02 ? 19 PHE A CA 1
547
+ ATOM 159 C C . PHE A 1 19 ? 40.980 0.249 29.975 1.00 20.20 ? 19 PHE A C 1
548
+ ATOM 160 O O . PHE A 1 19 ? 42.117 0.225 29.501 1.00 19.82 ? 19 PHE A O 1
549
+ ATOM 161 C CB . PHE A 1 19 ? 40.063 -2.074 30.278 1.00 17.58 ? 19 PHE A CB 1
550
+ ATOM 162 C CG . PHE A 1 19 ? 39.026 -3.092 29.899 1.00 16.94 ? 19 PHE A CG 1
551
+ ATOM 163 C CD1 . PHE A 1 19 ? 37.777 -3.084 30.502 1.00 15.31 ? 19 PHE A CD1 1
552
+ ATOM 164 C CD2 . PHE A 1 19 ? 39.279 -4.036 28.899 1.00 13.78 ? 19 PHE A CD2 1
553
+ ATOM 165 C CE1 . PHE A 1 19 ? 36.797 -4.026 30.136 1.00 14.79 ? 19 PHE A CE1 1
554
+ ATOM 166 C CE2 . PHE A 1 19 ? 38.318 -4.974 28.543 1.00 15.92 ? 19 PHE A CE2 1
555
+ ATOM 167 C CZ . PHE A 1 19 ? 37.060 -4.964 29.155 1.00 14.12 ? 19 PHE A CZ 1
556
+ ATOM 168 N N . GLY A 1 20 ? 40.580 1.114 30.908 1.00 20.97 ? 20 GLY A N 1
557
+ ATOM 169 C CA . GLY A 1 20 ? 41.446 2.154 31.426 1.00 22.66 ? 20 GLY A CA 1
558
+ ATOM 170 C C . GLY A 1 20 ? 42.303 1.678 32.585 1.00 23.44 ? 20 GLY A C 1
559
+ ATOM 171 O O . GLY A 1 20 ? 42.109 0.577 33.094 1.00 23.36 ? 20 GLY A O 1
560
+ ATOM 172 N N . ALA A 1 21 ? 43.248 2.516 32.997 1.00 23.51 ? 21 ALA A N 1
561
+ ATOM 173 C CA . ALA A 1 21 ? 44.177 2.189 34.078 1.00 23.92 ? 21 ALA A CA 1
562
+ ATOM 174 C C . ALA A 1 21 ? 43.499 1.795 35.410 1.00 23.96 ? 21 ALA A C 1
563
+ ATOM 175 O O . ALA A 1 21 ? 44.007 0.936 36.139 1.00 23.81 ? 21 ALA A O 1
564
+ ATOM 176 C CB . ALA A 1 21 ? 45.159 3.363 34.298 1.00 24.51 ? 21 ALA A CB 1
565
+ ATOM 177 N N . GLU A 1 22 ? 42.369 2.416 35.731 1.00 23.90 ? 22 GLU A N 1
566
+ ATOM 178 C CA . GLU A 1 22 ? 41.704 2.145 37.008 1.00 24.08 ? 22 GLU A CA 1
567
+ ATOM 179 C C . GLU A 1 22 ? 41.068 0.746 37.033 1.00 23.14 ? 22 GLU A C 1
568
+ ATOM 180 O O . GLU A 1 22 ? 41.184 0.023 38.023 1.00 22.84 ? 22 GLU A O 1
569
+ ATOM 181 C CB . GLU A 1 22 ? 40.671 3.231 37.312 1.00 24.82 ? 22 GLU A CB 1
570
+ ATOM 182 C CG . GLU A 1 22 ? 39.846 3.003 38.588 1.00 29.61 ? 22 GLU A CG 1
571
+ ATOM 183 C CD . GLU A 1 22 ? 40.694 2.783 39.855 1.00 34.18 ? 22 GLU A CD 1
572
+ ATOM 184 O OE1 . GLU A 1 22 ? 41.432 3.717 40.272 1.00 36.24 ? 22 GLU A OE1 1
573
+ ATOM 185 O OE2 . GLU A 1 22 ? 40.598 1.676 40.449 1.00 36.04 ? 22 GLU A OE2 1
574
+ ATOM 186 N N . GLU A 1 23 ? 40.420 0.378 35.923 1.00 21.97 ? 23 GLU A N 1
575
+ ATOM 187 C CA . GLU A 1 23 ? 39.763 -0.906 35.746 1.00 20.82 ? 23 GLU A CA 1
576
+ ATOM 188 C C . GLU A 1 23 ? 40.778 -2.028 35.760 1.00 20.15 ? 23 GLU A C 1
577
+ ATOM 189 O O . GLU A 1 23 ? 40.525 -3.095 36.319 1.00 19.20 ? 23 GLU A O 1
578
+ ATOM 190 C CB . GLU A 1 23 ? 39.009 -0.915 34.420 1.00 21.02 ? 23 GLU A CB 1
579
+ ATOM 191 C CG . GLU A 1 23 ? 37.795 -0.015 34.445 1.00 22.68 ? 23 GLU A CG 1
580
+ ATOM 192 C CD . GLU A 1 23 ? 37.274 0.297 33.069 1.00 25.15 ? 23 GLU A CD 1
581
+ ATOM 193 O OE1 . GLU A 1 23 ? 38.091 0.449 32.132 1.00 26.55 ? 23 GLU A OE1 1
582
+ ATOM 194 O OE2 . GLU A 1 23 ? 36.033 0.384 32.926 1.00 26.01 ? 23 GLU A OE2 1
583
+ ATOM 195 N N . ILE A 1 24 ? 41.926 -1.768 35.147 1.00 19.09 ? 24 ILE A N 1
584
+ ATOM 196 C CA . ILE A 1 24 ? 43.024 -2.721 35.092 1.00 19.33 ? 24 ILE A CA 1
585
+ ATOM 197 C C . ILE A 1 24 ? 43.546 -2.997 36.510 1.00 19.10 ? 24 ILE A C 1
586
+ ATOM 198 O O . ILE A 1 24 ? 43.681 -4.148 36.910 1.00 18.63 ? 24 ILE A O 1
587
+ ATOM 199 C CB . ILE A 1 24 ? 44.140 -2.215 34.158 1.00 19.04 ? 24 ILE A CB 1
588
+ ATOM 200 C CG1 . ILE A 1 24 ? 43.613 -2.150 32.723 1.00 18.97 ? 24 ILE A CG1 1
589
+ ATOM 201 C CG2 . ILE A 1 24 ? 45.391 -3.116 34.239 1.00 19.62 ? 24 ILE A CG2 1
590
+ ATOM 202 C CD1 . ILE A 1 24 ? 44.648 -1.675 31.711 1.00 19.85 ? 24 ILE A CD1 1
591
+ ATOM 203 N N . ALA A 1 25 ? 43.789 -1.936 37.270 1.00 18.79 ? 25 ALA A N 1
592
+ ATOM 204 C CA . ALA A 1 25 ? 44.220 -2.086 38.650 1.00 19.64 ? 25 ALA A CA 1
593
+ ATOM 205 C C . ALA A 1 25 ? 43.187 -2.858 39.494 1.00 19.79 ? 25 ALA A C 1
594
+ ATOM 206 O O . ALA A 1 25 ? 43.564 -3.784 40.231 1.00 19.39 ? 25 ALA A O 1
595
+ ATOM 207 C CB . ALA A 1 25 ? 44.547 -0.724 39.264 1.00 19.03 ? 25 ALA A CB 1
596
+ ATOM 208 N N . GLN A 1 26 ? 41.905 -2.498 39.364 1.00 20.50 ? 26 GLN A N 1
597
+ ATOM 209 C CA . GLN A 1 26 ? 40.807 -3.236 40.020 1.00 22.07 ? 26 GLN A CA 1
598
+ ATOM 210 C C . GLN A 1 26 ? 40.793 -4.734 39.645 1.00 21.30 ? 26 GLN A C 1
599
+ ATOM 211 O O . GLN A 1 26 ? 40.646 -5.594 40.514 1.00 21.76 ? 26 GLN A O 1
600
+ ATOM 212 C CB . GLN A 1 26 ? 39.452 -2.577 39.754 1.00 21.61 ? 26 GLN A CB 1
601
+ ATOM 213 C CG . GLN A 1 26 ? 39.223 -1.290 40.592 1.00 24.79 ? 26 GLN A CG 1
602
+ ATOM 214 C CD . GLN A 1 26 ? 37.930 -0.543 40.230 1.00 25.13 ? 26 GLN A CD 1
603
+ ATOM 215 O OE1 . GLN A 1 26 ? 37.803 0.017 39.136 1.00 31.35 ? 26 GLN A OE1 1
604
+ ATOM 216 N NE2 . GLN A 1 26 ? 36.974 -0.527 41.155 1.00 29.32 ? 26 GLN A NE2 1
605
+ ATOM 217 N N . ALA A 1 27 ? 40.998 -5.032 38.366 1.00 20.67 ? 27 ALA A N 1
606
+ ATOM 218 C CA . ALA A 1 27 ? 41.043 -6.413 37.876 1.00 20.52 ? 27 ALA A CA 1
607
+ ATOM 219 C C . ALA A 1 27 ? 42.268 -7.167 38.411 1.00 20.89 ? 27 ALA A C 1
608
+ ATOM 220 O O . ALA A 1 27 ? 42.146 -8.326 38.816 1.00 20.39 ? 27 ALA A O 1
609
+ ATOM 221 C CB . ALA A 1 27 ? 41.021 -6.438 36.359 1.00 20.36 ? 27 ALA A CB 1
610
+ ATOM 222 N N . GLU A 1 28 ? 43.435 -6.513 38.409 1.00 20.67 ? 28 GLU A N 1
611
+ ATOM 223 C CA . GLU A 1 28 ? 44.641 -7.074 39.022 1.00 21.40 ? 28 GLU A CA 1
612
+ ATOM 224 C C . GLU A 1 28 ? 44.387 -7.448 40.482 1.00 20.88 ? 28 GLU A C 1
613
+ ATOM 225 O O . GLU A 1 28 ? 44.788 -8.515 40.911 1.00 20.45 ? 28 GLU A O 1
614
+ ATOM 226 C CB . GLU A 1 28 ? 45.815 -6.097 38.924 1.00 21.30 ? 28 GLU A CB 1
615
+ ATOM 227 C CG . GLU A 1 28 ? 46.323 -5.878 37.497 1.00 23.44 ? 28 GLU A CG 1
616
+ ATOM 228 C CD . GLU A 1 28 ? 47.545 -4.962 37.431 1.00 23.86 ? 28 GLU A CD 1
617
+ ATOM 229 O OE1 . GLU A 1 28 ? 47.385 -3.744 37.281 1.00 29.30 ? 28 GLU A OE1 1
618
+ ATOM 230 O OE2 . GLU A 1 28 ? 48.675 -5.449 37.516 1.00 26.89 ? 28 GLU A OE2 1
619
+ ATOM 231 N N . ASP A 1 29 ? 43.710 -6.568 41.231 1.00 20.85 ? 29 ASP A N 1
620
+ ATOM 232 C CA . ASP A 1 29 ? 43.335 -6.822 42.628 1.00 20.78 ? 29 ASP A CA 1
621
+ ATOM 233 C C . ASP A 1 29 ? 42.407 -8.044 42.774 1.00 20.36 ? 29 ASP A C 1
622
+ ATOM 234 O O . ASP A 1 29 ? 42.541 -8.810 43.725 1.00 20.31 ? 29 ASP A O 1
623
+ ATOM 235 C CB . ASP A 1 29 ? 42.634 -5.597 43.237 1.00 21.12 ? 29 ASP A CB 1
624
+ ATOM 236 C CG . ASP A 1 29 ? 43.586 -4.447 43.559 1.00 24.05 ? 29 ASP A CG 1
625
+ ATOM 237 O OD1 . ASP A 1 29 ? 44.817 -4.682 43.640 1.00 27.01 ? 29 ASP A OD1 1
626
+ ATOM 238 O OD2 . ASP A 1 29 ? 43.092 -3.298 43.761 1.00 25.97 ? 29 ASP A OD2 1
627
+ ATOM 239 N N . LYS A 1 30 ? 41.444 -8.210 41.864 1.00 19.65 ? 30 LYS A N 1
628
+ ATOM 240 C CA . LYS A 1 30 ? 40.589 -9.386 41.915 1.00 19.29 ? 30 LYS A CA 1
629
+ ATOM 241 C C . LYS A 1 30 ? 41.439 -10.624 41.662 1.00 19.89 ? 30 LYS A C 1
630
+ ATOM 242 O O . LYS A 1 30 ? 41.233 -11.660 42.295 1.00 19.51 ? 30 LYS A O 1
631
+ ATOM 243 C CB . LYS A 1 30 ? 39.474 -9.322 40.881 1.00 19.16 ? 30 LYS A CB 1
632
+ ATOM 244 C CG . LYS A 1 30 ? 38.440 -8.215 41.106 1.00 19.52 ? 30 LYS A CG 1
633
+ ATOM 245 C CD . LYS A 1 30 ? 37.434 -8.169 39.964 1.00 18.93 ? 30 LYS A CD 1
634
+ ATOM 246 C CE . LYS A 1 30 ? 36.562 -6.922 40.056 1.00 22.40 ? 30 LYS A CE 1
635
+ ATOM 247 N NZ . LYS A 1 30 ? 35.492 -6.930 39.004 1.00 22.41 ? 30 LYS A NZ 1
636
+ ATOM 248 N N . ALA A 1 31 ? 42.394 -10.511 40.736 1.00 19.59 ? 31 ALA A N 1
637
+ ATOM 249 C CA . ALA A 1 31 ? 43.290 -11.618 40.405 1.00 20.14 ? 31 ALA A CA 1
638
+ ATOM 250 C C . ALA A 1 31 ? 44.115 -12.057 41.613 1.00 20.47 ? 31 ALA A C 1
639
+ ATOM 251 O O . ALA A 1 31 ? 44.268 -13.249 41.866 1.00 20.99 ? 31 ALA A O 1
640
+ ATOM 252 C CB . ALA A 1 31 ? 44.208 -11.233 39.234 1.00 20.03 ? 31 ALA A CB 1
641
+ ATOM 253 N N . VAL A 1 32 ? 44.643 -11.095 42.365 1.00 20.85 ? 32 VAL A N 1
642
+ ATOM 254 C CA . VAL A 1 32 ? 45.384 -11.393 43.600 1.00 20.70 ? 32 VAL A CA 1
643
+ ATOM 255 C C . VAL A 1 32 ? 44.481 -12.118 44.607 1.00 21.03 ? 32 VAL A C 1
644
+ ATOM 256 O O . VAL A 1 32 ? 44.853 -13.142 45.170 1.00 21.32 ? 32 VAL A O 1
645
+ ATOM 257 C CB . VAL A 1 32 ? 45.997 -10.093 44.213 1.00 20.41 ? 32 VAL A CB 1
646
+ ATOM 258 C CG1 . VAL A 1 32 ? 46.597 -10.356 45.561 1.00 19.42 ? 32 VAL A CG1 1
647
+ ATOM 259 C CG2 . VAL A 1 32 ? 47.032 -9.476 43.256 1.00 19.62 ? 32 VAL A CG2 1
648
+ ATOM 260 N N . ARG A 1 33 ? 43.289 -11.570 44.807 1.00 21.15 ? 33 ARG A N 1
649
+ ATOM 261 C CA . ARG A 1 33 ? 42.258 -12.133 45.678 1.00 21.77 ? 33 ARG A CA 1
650
+ ATOM 262 C C . ARG A 1 33 ? 41.938 -13.582 45.297 1.00 21.51 ? 33 ARG A C 1
651
+ ATOM 263 O O . ARG A 1 33 ? 41.867 -14.459 46.147 1.00 21.28 ? 33 ARG A O 1
652
+ ATOM 264 C CB . ARG A 1 33 ? 40.999 -11.268 45.546 1.00 21.45 ? 33 ARG A CB 1
653
+ ATOM 265 C CG . ARG A 1 33 ? 39.969 -11.380 46.656 1.00 23.36 ? 33 ARG A CG 1
654
+ ATOM 266 C CD . ARG A 1 33 ? 38.967 -10.218 46.520 1.00 22.86 ? 33 ARG A CD 1
655
+ ATOM 267 N NE . ARG A 1 33 ? 39.681 -8.975 46.743 1.00 22.89 ? 33 ARG A NE 1
656
+ ATOM 268 C CZ . ARG A 1 33 ? 39.512 -7.843 46.074 1.00 22.51 ? 33 ARG A CZ 1
657
+ ATOM 269 N NH1 . ARG A 1 33 ? 38.623 -7.736 45.082 1.00 20.30 ? 33 ARG A NH1 1
658
+ ATOM 270 N NH2 . ARG A 1 33 ? 40.262 -6.804 46.416 1.00 22.40 ? 33 ARG A NH2 1
659
+ ATOM 271 N N . TYR A 1 34 ? 41.743 -13.815 44.003 1.00 21.57 ? 34 TYR A N 1
660
+ ATOM 272 C CA . TYR A 1 34 ? 41.359 -15.123 43.489 1.00 21.39 ? 34 TYR A CA 1
661
+ ATOM 273 C C . TYR A 1 34 ? 42.473 -16.145 43.719 1.00 21.14 ? 34 TYR A C 1
662
+ ATOM 274 O O . TYR A 1 34 ? 42.228 -17.273 44.140 1.00 20.78 ? 34 TYR A O 1
663
+ ATOM 275 C CB . TYR A 1 34 ? 41.069 -14.987 41.990 1.00 21.33 ? 34 TYR A CB 1
664
+ ATOM 276 C CG . TYR A 1 34 ? 40.774 -16.286 41.294 1.00 21.88 ? 34 TYR A CG 1
665
+ ATOM 277 C CD1 . TYR A 1 34 ? 39.473 -16.804 41.264 1.00 22.60 ? 34 TYR A CD1 1
666
+ ATOM 278 C CD2 . TYR A 1 34 ? 41.776 -16.982 40.626 1.00 21.40 ? 34 TYR A CD2 1
667
+ ATOM 279 C CE1 . TYR A 1 34 ? 39.185 -18.008 40.611 1.00 22.31 ? 34 TYR A CE1 1
668
+ ATOM 280 C CE2 . TYR A 1 34 ? 41.492 -18.182 39.968 1.00 22.20 ? 34 TYR A CE2 1
669
+ ATOM 281 C CZ . TYR A 1 34 ? 40.199 -18.690 39.973 1.00 21.68 ? 34 TYR A CZ 1
670
+ ATOM 282 O OH . TYR A 1 34 ? 39.917 -19.880 39.332 1.00 23.68 ? 34 TYR A OH 1
671
+ ATOM 283 N N . LEU A 1 35 ? 43.703 -15.736 43.420 1.00 21.40 ? 35 LEU A N 1
672
+ ATOM 284 C CA . LEU A 1 35 ? 44.864 -16.601 43.542 1.00 21.04 ? 35 LEU A CA 1
673
+ ATOM 285 C C . LEU A 1 35 ? 45.167 -16.953 44.993 1.00 22.00 ? 35 LEU A C 1
674
+ ATOM 286 O O . LEU A 1 35 ? 45.576 -18.082 45.272 1.00 21.99 ? 35 LEU A O 1
675
+ ATOM 287 C CB . LEU A 1 35 ? 46.073 -15.953 42.891 1.00 20.79 ? 35 LEU A CB 1
676
+ ATOM 288 C CG . LEU A 1 35 ? 45.994 -15.999 41.359 1.00 20.31 ? 35 LEU A CG 1
677
+ ATOM 289 C CD1 . LEU A 1 35 ? 46.984 -15.026 40.728 1.00 19.50 ? 35 LEU A CD1 1
678
+ ATOM 290 C CD2 . LEU A 1 35 ? 46.208 -17.430 40.832 1.00 18.59 ? 35 LEU A CD2 1
679
+ ATOM 291 N N . ASN A 1 36 ? 44.952 -16.003 45.906 1.00 22.26 ? 36 ASN A N 1
680
+ ATOM 292 C CA . ASN A 1 36 ? 45.255 -16.201 47.323 1.00 23.49 ? 36 ASN A CA 1
681
+ ATOM 293 C C . ASN A 1 36 ? 44.247 -17.082 48.034 1.00 24.59 ? 36 ASN A C 1
682
+ ATOM 294 O O . ASN A 1 36 ? 44.521 -17.584 49.131 1.00 25.76 ? 36 ASN A O 1
683
+ ATOM 295 C CB . ASN A 1 36 ? 45.384 -14.862 48.051 1.00 23.34 ? 36 ASN A CB 1
684
+ ATOM 296 C CG . ASN A 1 36 ? 46.823 -14.416 48.202 1.00 22.71 ? 36 ASN A CG 1
685
+ ATOM 297 O OD1 . ASN A 1 36 ? 47.662 -15.180 48.677 1.00 21.82 ? 36 ASN A OD1 1
686
+ ATOM 298 N ND2 . ASN A 1 36 ? 47.116 -13.165 47.816 1.00 20.07 ? 36 ASN A ND2 1
687
+ ATOM 299 N N . GLN A 1 37 ? 43.091 -17.284 47.410 1.00 25.31 ? 37 GLN A N 1
688
+ ATOM 300 C CA . GLN A 1 37 ? 42.105 -18.241 47.900 1.00 26.50 ? 37 GLN A CA 1
689
+ ATOM 301 C C . GLN A 1 37 ? 42.424 -19.679 47.448 1.00 26.54 ? 37 GLN A C 1
690
+ ATOM 302 O O . GLN A 1 37 ? 41.832 -20.631 47.953 1.00 26.82 ? 37 GLN A O 1
691
+ ATOM 303 C CB . GLN A 1 37 ? 40.704 -17.884 47.392 1.00 26.17 ? 37 GLN A CB 1
692
+ ATOM 304 C CG . GLN A 1 37 ? 40.106 -16.561 47.878 1.00 27.61 ? 37 GLN A CG 1
693
+ ATOM 305 C CD . GLN A 1 37 ? 39.082 -15.999 46.871 1.00 28.28 ? 37 GLN A CD 1
694
+ ATOM 306 O OE1 . GLN A 1 37 ? 38.961 -16.495 45.740 1.00 31.11 ? 37 GLN A OE1 1
695
+ ATOM 307 N NE2 . GLN A 1 37 ? 38.347 -14.971 47.276 1.00 29.37 ? 37 GLN A NE2 1
696
+ ATOM 308 N N . ARG A 1 38 ? 43.350 -19.832 46.504 1.00 26.72 ? 38 ARG A N 1
697
+ ATOM 309 C CA . ARG A 1 38 ? 43.531 -21.095 45.787 1.00 27.19 ? 38 ARG A CA 1
698
+ ATOM 310 C C . ARG A 1 38 ? 44.934 -21.649 45.752 1.00 27.12 ? 38 ARG A C 1
699
+ ATOM 311 O O . ARG A 1 38 ? 45.112 -22.820 45.435 1.00 26.99 ? 38 ARG A O 1
700
+ ATOM 312 C CB . ARG A 1 38 ? 43.079 -20.943 44.345 1.00 27.24 ? 38 ARG A CB 1
701
+ ATOM 313 C CG . ARG A 1 38 ? 41.600 -20.933 44.187 1.00 29.86 ? 38 ARG A CG 1
702
+ ATOM 314 C CD . ARG A 1 38 ? 41.187 -20.685 42.741 1.00 30.86 ? 38 ARG A CD 1
703
+ ATOM 315 N NE . ARG A 1 38 ? 39.731 -20.788 42.601 1.00 32.48 ? 38 ARG A NE 1
704
+ ATOM 316 C CZ . ARG A 1 38 ? 38.857 -19.936 43.145 1.00 32.48 ? 38 ARG A CZ 1
705
+ ATOM 317 N NH1 . ARG A 1 38 ? 39.272 -18.899 43.877 1.00 28.87 ? 38 ARG A NH1 1
706
+ ATOM 318 N NH2 . ARG A 1 38 ? 37.557 -20.121 42.945 1.00 34.00 ? 38 ARG A NH2 1
707
+ ATOM 319 N N . VAL A 1 39 ? 45.931 -20.807 45.994 1.00 27.26 ? 39 VAL A N 1
708
+ ATOM 320 C CA . VAL A 1 39 ? 47.309 -21.279 46.026 1.00 28.03 ? 39 VAL A CA 1
709
+ ATOM 321 C C . VAL A 1 39 ? 48.016 -20.900 47.317 1.00 28.54 ? 39 VAL A C 1
710
+ ATOM 322 O O . VAL A 1 39 ? 47.787 -19.830 47.867 1.00 28.13 ? 39 VAL A O 1
711
+ ATOM 323 C CB . VAL A 1 39 ? 48.142 -20.820 44.800 1.00 28.03 ? 39 VAL A CB 1
712
+ ATOM 324 C CG1 . VAL A 1 39 ? 47.296 -20.848 43.537 1.00 28.64 ? 39 VAL A CG1 1
713
+ ATOM 325 C CG2 . VAL A 1 39 ? 48.709 -19.439 45.011 1.00 27.83 ? 39 VAL A CG2 1
714
+ ATOM 326 N N . GLU A 1 40 ? 48.872 -21.802 47.785 1.00 29.53 ? 40 GLU A N 1
715
+ ATOM 327 C CA . GLU A 1 40 ? 49.702 -21.558 48.946 1.00 30.96 ? 40 GLU A CA 1
716
+ ATOM 328 C C . GLU A 1 40 ? 51.152 -21.835 48.587 1.00 30.84 ? 40 GLU A C 1
717
+ ATOM 329 O O . GLU A 1 40 ? 51.479 -22.941 48.159 1.00 30.48 ? 40 GLU A O 1
718
+ ATOM 330 C CB . GLU A 1 40 ? 49.269 -22.470 50.090 1.00 31.25 ? 40 GLU A CB 1
719
+ ATOM 331 C CG . GLU A 1 40 ? 49.725 -21.990 51.460 1.00 32.96 ? 40 GLU A CG 1
720
+ ATOM 332 C CD . GLU A 1 40 ? 49.283 -22.916 52.578 1.00 33.42 ? 40 GLU A CD 1
721
+ ATOM 333 O OE1 . GLU A 1 40 ? 48.072 -22.933 52.915 1.00 35.95 ? 40 GLU A OE1 1
722
+ ATOM 334 O OE2 . GLU A 1 40 ? 50.160 -23.632 53.118 1.00 37.41 ? 40 GLU A OE2 1
723
+ ATOM 335 N N . ILE A 1 41 ? 52.019 -20.833 48.751 1.00 31.31 ? 41 ILE A N 1
724
+ ATOM 336 C CA . ILE A 1 41 ? 53.436 -20.980 48.381 1.00 31.90 ? 41 ILE A CA 1
725
+ ATOM 337 C C . ILE A 1 41 ? 54.380 -20.817 49.580 1.00 32.51 ? 41 ILE A C 1
726
+ ATOM 338 O O . ILE A 1 41 ? 54.069 -20.070 50.517 1.00 32.41 ? 41 ILE A O 1
727
+ ATOM 339 C CB . ILE A 1 41 ? 53.851 -20.032 47.233 1.00 31.78 ? 41 ILE A CB 1
728
+ ATOM 340 C CG1 . ILE A 1 41 ? 54.096 -18.615 47.755 1.00 31.70 ? 41 ILE A CG1 1
729
+ ATOM 341 C CG2 . ILE A 1 41 ? 52.841 -20.100 46.063 1.00 31.37 ? 41 ILE A CG2 1
730
+ ATOM 342 C CD1 . ILE A 1 41 ? 54.652 -17.659 46.704 1.00 32.86 ? 41 ILE A CD1 1
731
+ ATOM 343 N N . PRO A 1 42 ? 55.525 -21.539 49.576 1.00 33.06 ? 42 PRO A N 1
732
+ ATOM 344 C CA . PRO A 1 42 ? 56.404 -21.406 50.737 1.00 33.67 ? 42 PRO A CA 1
733
+ ATOM 345 C C . PRO A 1 42 ? 56.790 -19.945 50.994 1.00 34.01 ? 42 PRO A C 1
734
+ ATOM 346 O O . PRO A 1 42 ? 56.982 -19.178 50.043 1.00 34.33 ? 42 PRO A O 1
735
+ ATOM 347 C CB . PRO A 1 42 ? 57.635 -22.241 50.350 1.00 33.61 ? 42 PRO A CB 1
736
+ ATOM 348 C CG . PRO A 1 42 ? 57.134 -23.199 49.315 1.00 33.59 ? 42 PRO A CG 1
737
+ ATOM 349 C CD . PRO A 1 42 ? 56.073 -22.475 48.571 1.00 32.96 ? 42 PRO A CD 1
738
+ ATOM 350 N N . GLY A 1 43 ? 56.867 -19.569 52.268 1.00 34.41 ? 43 GLY A N 1
739
+ ATOM 351 C CA . GLY A 1 43 ? 57.301 -18.228 52.659 1.00 35.12 ? 43 GLY A CA 1
740
+ ATOM 352 C C . GLY A 1 43 ? 56.188 -17.224 52.917 1.00 35.52 ? 43 GLY A C 1
741
+ ATOM 353 O O . GLY A 1 43 ? 56.457 -16.113 53.385 1.00 35.67 ? 43 GLY A O 1
742
+ ATOM 354 N N . PHE A 1 44 ? 54.945 -17.604 52.602 1.00 35.44 ? 44 PHE A N 1
743
+ ATOM 355 C CA . PHE A 1 44 ? 53.780 -16.756 52.859 1.00 35.45 ? 44 PHE A CA 1
744
+ ATOM 356 C C . PHE A 1 44 ? 52.607 -17.512 53.461 1.00 35.26 ? 44 PHE A C 1
745
+ ATOM 357 O O . PHE A 1 44 ? 52.232 -18.589 52.989 1.00 35.19 ? 44 PHE A O 1
746
+ ATOM 358 C CB . PHE A 1 44 ? 53.336 -16.051 51.581 1.00 35.59 ? 44 PHE A CB 1
747
+ ATOM 359 C CG . PHE A 1 44 ? 54.396 -15.208 50.979 1.00 36.36 ? 44 PHE A CG 1
748
+ ATOM 360 C CD1 . PHE A 1 44 ? 54.650 -13.932 51.479 1.00 37.75 ? 44 PHE A CD1 1
749
+ ATOM 361 C CD2 . PHE A 1 44 ? 55.170 -15.693 49.929 1.00 37.76 ? 44 PHE A CD2 1
750
+ ATOM 362 C CE1 . PHE A 1 44 ? 55.658 -13.141 50.929 1.00 38.63 ? 44 PHE A CE1 1
751
+ ATOM 363 C CE2 . PHE A 1 44 ? 56.183 -14.917 49.370 1.00 38.83 ? 44 PHE A CE2 1
752
+ ATOM 364 C CZ . PHE A 1 44 ? 56.421 -13.628 49.867 1.00 38.51 ? 44 PHE A CZ 1
753
+ ATOM 365 N N . ARG A 1 45 ? 52.039 -16.933 54.512 1.00 34.96 ? 45 ARG A N 1
754
+ ATOM 366 C CA . ARG A 1 45 ? 50.785 -17.410 55.088 1.00 35.02 ? 45 ARG A CA 1
755
+ ATOM 367 C C . ARG A 1 45 ? 49.687 -17.630 54.025 1.00 33.76 ? 45 ARG A C 1
756
+ ATOM 368 O O . ARG A 1 45 ? 49.593 -16.892 53.044 1.00 32.63 ? 45 ARG A O 1
757
+ ATOM 369 C CB . ARG A 1 45 ? 50.278 -16.417 56.142 1.00 35.54 ? 45 ARG A CB 1
758
+ ATOM 370 C CG . ARG A 1 45 ? 51.170 -16.227 57.372 1.00 39.13 ? 45 ARG A CG 1
759
+ ATOM 371 C CD . ARG A 1 45 ? 51.204 -17.491 58.240 1.00 45.33 ? 45 ARG A CD 1
760
+ ATOM 372 N NE . ARG A 1 45 ? 49.870 -18.081 58.396 1.00 47.90 ? 45 ARG A NE 1
761
+ ATOM 373 C CZ . ARG A 1 45 ? 49.270 -18.285 59.571 1.00 48.46 ? 45 ARG A CZ 1
762
+ ATOM 374 N NH1 . ARG A 1 45 ? 49.891 -17.958 60.715 1.00 48.48 ? 45 ARG A NH1 1
763
+ ATOM 375 N NH2 . ARG A 1 45 ? 48.056 -18.830 59.597 1.00 48.61 ? 45 ARG A NH2 1
764
+ ATOM 376 N N . LYS A 1 46 ? 48.873 -18.657 54.253 1.00 33.09 ? 46 LYS A N 1
765
+ ATOM 377 C CA . LYS A 1 46 ? 47.734 -18.996 53.412 1.00 32.83 ? 46 LYS A CA 1
766
+ ATOM 378 C C . LYS A 1 46 ? 46.818 -17.790 53.182 1.00 32.14 ? 46 LYS A C 1
767
+ ATOM 379 O O . LYS A 1 46 ? 46.130 -17.347 54.104 1.00 32.42 ? 46 LYS A O 1
768
+ ATOM 380 C CB . LYS A 1 46 ? 46.931 -20.122 54.070 1.00 33.08 ? 46 LYS A CB 1
769
+ ATOM 381 C CG . LYS A 1 46 ? 45.738 -20.568 53.244 1.00 35.14 ? 46 LYS A CG 1
770
+ ATOM 382 C CD . LYS A 1 46 ? 44.672 -21.304 54.046 1.00 37.13 ? 46 LYS A CD 1
771
+ ATOM 383 C CE . LYS A 1 46 ? 43.558 -21.763 53.093 1.00 38.00 ? 46 LYS A CE 1
772
+ ATOM 384 N NZ . LYS A 1 46 ? 42.253 -21.986 53.775 1.00 38.44 ? 46 LYS A NZ 1
773
+ ATOM 385 N N . GLY A 1 47 ? 46.811 -17.276 51.951 1.00 31.42 ? 47 GLY A N 1
774
+ ATOM 386 C CA . GLY A 1 47 ? 45.961 -16.140 51.568 1.00 30.35 ? 47 GLY A CA 1
775
+ ATOM 387 C C . GLY A 1 47 ? 46.638 -14.781 51.725 1.00 29.97 ? 47 GLY A C 1
776
+ ATOM 388 O O . GLY A 1 47 ? 45.980 -13.744 51.671 1.00 28.67 ? 47 GLY A O 1
777
+ ATOM 389 N N . ARG A 1 48 ? 47.957 -14.777 51.919 1.00 29.70 ? 48 ARG A N 1
778
+ ATOM 390 C CA . ARG A 1 48 ? 48.653 -13.521 52.194 1.00 30.08 ? 48 ARG A CA 1
779
+ ATOM 391 C C . ARG A 1 48 ? 49.787 -13.218 51.219 1.00 30.31 ? 48 ARG A C 1
780
+ ATOM 392 O O . ARG A 1 48 ? 50.688 -12.440 51.539 1.00 30.81 ? 48 ARG A O 1
781
+ ATOM 393 C CB . ARG A 1 48 ? 49.183 -13.488 53.646 1.00 30.03 ? 48 ARG A CB 1
782
+ ATOM 394 C CG . ARG A 1 48 ? 48.163 -13.866 54.743 1.00 29.83 ? 48 ARG A CG 1
783
+ ATOM 395 C CD . ARG A 1 48 ? 47.087 -12.811 54.961 1.00 28.11 ? 48 ARG A CD 1
784
+ ATOM 396 N NE . ARG A 1 48 ? 47.677 -11.485 55.109 1.00 29.41 ? 48 ARG A NE 1
785
+ ATOM 397 C CZ . ARG A 1 48 ? 48.057 -10.931 56.259 1.00 27.44 ? 48 ARG A CZ 1
786
+ ATOM 398 N NH1 . ARG A 1 48 ? 47.901 -11.564 57.414 1.00 26.08 ? 48 ARG A NH1 1
787
+ ATOM 399 N NH2 . ARG A 1 48 ? 48.589 -9.718 56.245 1.00 27.15 ? 48 ARG A NH2 1
788
+ ATOM 400 N N . ILE A 1 49 ? 49.767 -13.822 50.037 1.00 30.47 ? 49 ILE A N 1
789
+ ATOM 401 C CA . ILE A 1 49 ? 50.848 -13.562 49.075 1.00 30.56 ? 49 ILE A CA 1
790
+ ATOM 402 C C . ILE A 1 49 ? 50.695 -12.138 48.500 1.00 30.78 ? 49 ILE A C 1
791
+ ATOM 403 O O . ILE A 1 49 ? 49.639 -11.803 47.975 1.00 30.84 ? 49 ILE A O 1
792
+ ATOM 404 C CB . ILE A 1 49 ? 50.899 -14.612 47.933 1.00 30.65 ? 49 ILE A CB 1
793
+ ATOM 405 C CG1 . ILE A 1 49 ? 50.853 -16.047 48.486 1.00 30.34 ? 49 ILE A CG1 1
794
+ ATOM 406 C CG2 . ILE A 1 49 ? 52.151 -14.398 47.077 1.00 30.22 ? 49 ILE A CG2 1
795
+ ATOM 407 C CD1 . ILE A 1 49 ? 50.503 -17.121 47.443 1.00 29.42 ? 49 ILE A CD1 1
796
+ ATOM 408 N N . PRO A 1 50 ? 51.737 -11.290 48.624 1.00 31.01 ? 50 PRO A N 1
797
+ ATOM 409 C CA . PRO A 1 50 ? 51.655 -9.949 48.020 1.00 31.58 ? 50 PRO A CA 1
798
+ ATOM 410 C C . PRO A 1 50 ? 51.473 -9.977 46.490 1.00 31.84 ? 50 PRO A C 1
799
+ ATOM 411 O O . PRO A 1 50 ? 51.952 -10.911 45.834 1.00 31.60 ? 50 PRO A O 1
800
+ ATOM 412 C CB . PRO A 1 50 ? 53.004 -9.303 48.399 1.00 31.27 ? 50 PRO A CB 1
801
+ ATOM 413 C CG . PRO A 1 50 ? 53.472 -10.067 49.598 1.00 31.24 ? 50 PRO A CG 1
802
+ ATOM 414 C CD . PRO A 1 50 ? 53.011 -11.479 49.337 1.00 31.01 ? 50 PRO A CD 1
803
+ ATOM 415 N N . LYS A 1 51 ? 50.780 -8.969 45.949 1.00 32.53 ? 51 LYS A N 1
804
+ ATOM 416 C CA . LYS A 1 51 ? 50.584 -8.805 44.493 1.00 33.62 ? 51 LYS A CA 1
805
+ ATOM 417 C C . LYS A 1 51 ? 51.888 -8.904 43.680 1.00 33.91 ? 51 LYS A C 1
806
+ ATOM 418 O O . LYS A 1 51 ? 51.934 -9.587 42.655 1.00 33.92 ? 51 LYS A O 1
807
+ ATOM 419 C CB . LYS A 1 51 ? 49.840 -7.489 44.171 1.00 33.50 ? 51 LYS A CB 1
808
+ ATOM 420 C CG . LYS A 1 51 ? 49.768 -7.160 42.661 1.00 34.04 ? 51 LYS A CG 1
809
+ ATOM 421 C CD . LYS A 1 51 ? 48.611 -6.243 42.277 1.00 34.42 ? 51 LYS A CD 1
810
+ ATOM 422 C CE . LYS A 1 51 ? 48.813 -4.827 42.758 1.00 36.65 ? 51 LYS A CE 1
811
+ ATOM 423 N NZ . LYS A 1 51 ? 47.756 -3.915 42.215 1.00 38.72 ? 51 LYS A NZ 1
812
+ ATOM 424 N N . ASN A 1 52 ? 52.933 -8.225 44.149 1.00 34.62 ? 52 ASN A N 1
813
+ ATOM 425 C CA . ASN A 1 52 ? 54.245 -8.208 43.489 1.00 35.63 ? 52 ASN A CA 1
814
+ ATOM 426 C C . ASN A 1 52 ? 54.898 -9.569 43.329 1.00 35.66 ? 52 ASN A C 1
815
+ ATOM 427 O O . ASN A 1 52 ? 55.641 -9.815 42.371 1.00 35.69 ? 52 ASN A O 1
816
+ ATOM 428 C CB . ASN A 1 52 ? 55.195 -7.297 44.263 1.00 35.86 ? 52 ASN A CB 1
817
+ ATOM 429 C CG . ASN A 1 52 ? 54.833 -5.847 44.117 1.00 37.85 ? 52 ASN A CG 1
818
+ ATOM 430 O OD1 . ASN A 1 52 ? 54.257 -5.438 43.094 1.00 40.89 ? 52 ASN A OD1 1
819
+ ATOM 431 N ND2 . ASN A 1 52 ? 55.160 -5.050 45.136 1.00 39.69 ? 52 ASN A ND2 1
820
+ ATOM 432 N N . VAL A 1 53 ? 54.632 -10.432 44.298 1.00 35.97 ? 53 VAL A N 1
821
+ ATOM 433 C CA . VAL A 1 53 ? 55.186 -11.769 44.335 1.00 36.44 ? 53 VAL A CA 1
822
+ ATOM 434 C C . VAL A 1 53 ? 54.456 -12.616 43.300 1.00 36.96 ? 53 VAL A C 1
823
+ ATOM 435 O O . VAL A 1 53 ? 55.084 -13.327 42.517 1.00 37.35 ? 53 VAL A O 1
824
+ ATOM 436 C CB . VAL A 1 53 ? 55.060 -12.361 45.748 1.00 36.26 ? 53 VAL A CB 1
825
+ ATOM 437 C CG1 . VAL A 1 53 ? 55.667 -13.761 45.819 1.00 36.34 ? 53 VAL A CG1 1
826
+ ATOM 438 C CG2 . VAL A 1 53 ? 55.736 -11.428 46.757 1.00 36.63 ? 53 VAL A CG2 1
827
+ ATOM 439 N N . LEU A 1 54 ? 53.131 -12.508 43.269 1.00 37.34 ? 54 LEU A N 1
828
+ ATOM 440 C CA . LEU A 1 54 ? 52.339 -13.226 42.275 1.00 37.45 ? 54 LEU A CA 1
829
+ ATOM 441 C C . LEU A 1 54 ? 52.750 -12.859 40.842 1.00 37.81 ? 54 LEU A C 1
830
+ ATOM 442 O O . LEU A 1 54 ? 53.009 -13.743 40.019 1.00 38.10 ? 54 LEU A O 1
831
+ ATOM 443 C CB . LEU A 1 54 ? 50.847 -13.009 42.518 1.00 37.29 ? 54 LEU A CB 1
832
+ ATOM 444 C CG . LEU A 1 54 ? 50.297 -13.708 43.767 1.00 36.82 ? 54 LEU A CG 1
833
+ ATOM 445 C CD1 . LEU A 1 54 ? 48.910 -13.217 44.073 1.00 35.43 ? 54 LEU A CD1 1
834
+ ATOM 446 C CD2 . LEU A 1 54 ? 50.290 -15.223 43.610 1.00 35.87 ? 54 LEU A CD2 1
835
+ ATOM 447 N N . LYS A 1 55 ? 52.858 -11.562 40.565 1.00 38.03 ? 55 LYS A N 1
836
+ ATOM 448 C CA . LYS A 1 55 ? 53.279 -11.076 39.252 1.00 38.43 ? 55 LYS A CA 1
837
+ ATOM 449 C C . LYS A 1 55 ? 54.644 -11.612 38.851 1.00 39.40 ? 55 LYS A C 1
838
+ ATOM 450 O O . LYS A 1 55 ? 54.881 -11.861 37.667 1.00 39.67 ? 55 LYS A O 1
839
+ ATOM 451 C CB . LYS A 1 55 ? 53.287 -9.549 39.222 1.00 38.23 ? 55 LYS A CB 1
840
+ ATOM 452 C CG . LYS A 1 55 ? 51.969 -8.953 39.680 1.00 37.75 ? 55 LYS A CG 1
841
+ ATOM 453 C CD . LYS A 1 55 ? 51.913 -7.454 39.538 1.00 36.89 ? 55 LYS A CD 1
842
+ ATOM 454 C CE . LYS A 1 55 ? 51.377 -7.041 38.186 1.00 37.22 ? 55 LYS A CE 1
843
+ ATOM 455 N NZ . LYS A 1 55 ? 51.080 -5.582 38.187 1.00 37.09 ? 55 LYS A NZ 1
844
+ ATOM 456 N N . MET A 1 56 ? 55.532 -11.788 39.836 1.00 40.15 ? 56 MET A N 1
845
+ ATOM 457 C CA . MET A 1 56 ? 56.901 -12.289 39.600 1.00 41.27 ? 56 MET A CA 1
846
+ ATOM 458 C C . MET A 1 56 ? 56.944 -13.802 39.322 1.00 40.71 ? 56 MET A C 1
847
+ ATOM 459 O O . MET A 1 56 ? 57.555 -14.242 38.342 1.00 40.53 ? 56 MET A O 1
848
+ ATOM 460 C CB . MET A 1 56 ? 57.819 -11.922 40.775 1.00 41.13 ? 56 MET A CB 1
849
+ ATOM 461 C CG . MET A 1 56 ? 59.250 -12.385 40.614 1.00 42.30 ? 56 MET A CG 1
850
+ ATOM 462 S SD . MET A 1 56 ? 60.183 -12.325 42.155 1.00 43.71 ? 56 MET A SD 1
851
+ ATOM 463 C CE . MET A 1 56 ? 59.439 -13.680 43.076 1.00 43.39 ? 56 MET A CE 1
852
+ ATOM 464 N N . LYS A 1 57 ? 56.292 -14.577 40.191 1.00 40.49 ? 57 LYS A N 1
853
+ ATOM 465 C CA . LYS A 1 57 ? 56.148 -16.027 40.028 1.00 40.39 ? 57 LYS A CA 1
854
+ ATOM 466 C C . LYS A 1 57 ? 55.457 -16.394 38.710 1.00 39.87 ? 57 LYS A C 1
855
+ ATOM 467 O O . LYS A 1 57 ? 56.007 -17.144 37.894 1.00 39.72 ? 57 LYS A O 1
856
+ ATOM 468 C CB . LYS A 1 57 ? 55.338 -16.623 41.193 1.00 40.79 ? 57 LYS A CB 1
857
+ ATOM 469 C CG . LYS A 1 57 ? 55.914 -16.393 42.585 1.00 41.90 ? 57 LYS A CG 1
858
+ ATOM 470 C CD . LYS A 1 57 ? 57.203 -17.139 42.778 1.00 44.58 ? 57 LYS A CD 1
859
+ ATOM 471 C CE . LYS A 1 57 ? 57.801 -16.855 44.135 1.00 45.71 ? 57 LYS A CE 1
860
+ ATOM 472 N NZ . LYS A 1 57 ? 58.847 -17.861 44.449 1.00 45.93 ? 57 LYS A NZ 1
861
+ ATOM 473 N N . LEU A 1 58 ? 54.256 -15.846 38.518 1.00 38.93 ? 58 LEU A N 1
862
+ ATOM 474 C CA . LEU A 1 58 ? 53.413 -16.145 37.361 1.00 38.17 ? 58 LEU A CA 1
863
+ ATOM 475 C C . LEU A 1 58 ? 53.902 -15.546 36.047 1.00 37.46 ? 58 LEU A C 1
864
+ ATOM 476 O O . LEU A 1 58 ? 53.645 -16.109 34.988 1.00 37.51 ? 58 LEU A O 1
865
+ ATOM 477 C CB . LEU A 1 58 ? 51.972 -15.682 37.605 1.00 38.30 ? 58 LEU A CB 1
866
+ ATOM 478 C CG . LEU A 1 58 ? 51.239 -16.157 38.862 1.00 38.63 ? 58 LEU A CG 1
867
+ ATOM 479 C CD1 . LEU A 1 58 ? 49.751 -15.930 38.723 1.00 39.08 ? 58 LEU A CD1 1
868
+ ATOM 480 C CD2 . LEU A 1 58 ? 51.527 -17.611 39.144 1.00 40.39 ? 58 LEU A CD2 1
869
+ ATOM 481 N N . GLY A 1 59 ? 54.578 -14.402 36.116 1.00 36.71 ? 59 GLY A N 1
870
+ ATOM 482 C CA . GLY A 1 59 ? 55.068 -13.714 34.922 1.00 35.91 ? 59 GLY A CA 1
871
+ ATOM 483 C C . GLY A 1 59 ? 53.923 -13.318 34.015 1.00 35.28 ? 59 GLY A C 1
872
+ ATOM 484 O O . GLY A 1 59 ? 52.946 -12.703 34.469 1.00 35.04 ? 59 GLY A O 1
873
+ ATOM 485 N N . GLU A 1 60 ? 54.025 -13.707 32.742 1.00 34.55 ? 60 GLU A N 1
874
+ ATOM 486 C CA . GLU A 1 60 ? 53.030 -13.325 31.725 1.00 33.91 ? 60 GLU A CA 1
875
+ ATOM 487 C C . GLU A 1 60 ? 51.671 -14.000 31.914 1.00 32.96 ? 60 GLU A C 1
876
+ ATOM 488 O O . GLU A 1 60 ? 50.684 -13.571 31.330 1.00 32.79 ? 60 GLU A O 1
877
+ ATOM 489 C CB . GLU A 1 60 ? 53.567 -13.546 30.301 1.00 33.89 ? 60 GLU A CB 1
878
+ ATOM 490 C CG . GLU A 1 60 ? 54.900 -12.827 30.029 1.00 34.58 ? 60 GLU A CG 1
879
+ ATOM 491 C CD . GLU A 1 60 ? 55.213 -12.651 28.547 1.00 34.92 ? 60 GLU A CD 1
880
+ ATOM 492 O OE1 . GLU A 1 60 ? 55.304 -13.667 27.818 1.00 35.86 ? 60 GLU A OE1 1
881
+ ATOM 493 O OE2 . GLU A 1 60 ? 55.390 -11.487 28.113 1.00 36.03 ? 60 GLU A OE2 1
882
+ ATOM 494 N N . GLU A 1 61 ? 51.629 -15.044 32.740 1.00 31.79 ? 61 GLU A N 1
883
+ ATOM 495 C CA . GLU A 1 61 ? 50.383 -15.730 33.059 1.00 31.36 ? 61 GLU A CA 1
884
+ ATOM 496 C C . GLU A 1 61 ? 49.479 -14.901 33.972 1.00 29.40 ? 61 GLU A C 1
885
+ ATOM 497 O O . GLU A 1 61 ? 48.266 -15.102 33.974 1.00 28.91 ? 61 GLU A O 1
886
+ ATOM 498 C CB . GLU A 1 61 ? 50.659 -17.091 33.704 1.00 31.07 ? 61 GLU A CB 1
887
+ ATOM 499 C CG . GLU A 1 61 ? 49.595 -18.140 33.392 1.00 34.09 ? 61 GLU A CG 1
888
+ ATOM 500 C CD . GLU A 1 61 ? 49.668 -19.405 34.264 1.00 34.72 ? 61 GLU A CD 1
889
+ ATOM 501 O OE1 . GLU A 1 61 ? 50.788 -19.807 34.694 1.00 37.87 ? 61 GLU A OE1 1
890
+ ATOM 502 O OE2 . GLU A 1 61 ? 48.579 -19.997 34.521 1.00 38.48 ? 61 GLU A OE2 1
891
+ ATOM 503 N N . PHE A 1 62 ? 50.061 -13.976 34.742 1.00 27.49 ? 62 PHE A N 1
892
+ ATOM 504 C CA . PHE A 1 62 ? 49.272 -13.132 35.635 1.00 25.98 ? 62 PHE A CA 1
893
+ ATOM 505 C C . PHE A 1 62 ? 48.292 -12.280 34.840 1.00 25.86 ? 62 PHE A C 1
894
+ ATOM 506 O O . PHE A 1 62 ? 47.165 -12.069 35.287 1.00 25.83 ? 62 PHE A O 1
895
+ ATOM 507 C CB . PHE A 1 62 ? 50.138 -12.243 36.537 1.00 25.14 ? 62 PHE A CB 1
896
+ ATOM 508 C CG . PHE A 1 62 ? 49.333 -11.441 37.544 1.00 24.40 ? 62 PHE A CG 1
897
+ ATOM 509 C CD1 . PHE A 1 62 ? 49.011 -11.989 38.799 1.00 23.75 ? 62 PHE A CD1 1
898
+ ATOM 510 C CD2 . PHE A 1 62 ? 48.880 -10.156 37.235 1.00 20.81 ? 62 PHE A CD2 1
899
+ ATOM 511 C CE1 . PHE A 1 62 ? 48.253 -11.286 39.730 1.00 22.31 ? 62 PHE A CE1 1
900
+ ATOM 512 C CE2 . PHE A 1 62 ? 48.112 -9.428 38.162 1.00 22.16 ? 62 PHE A CE2 1
901
+ ATOM 513 C CZ . PHE A 1 62 ? 47.799 -9.990 39.419 1.00 22.01 ? 62 PHE A CZ 1
902
+ ATOM 514 N N . GLN A 1 63 ? 48.730 -11.807 33.669 1.00 25.09 ? 63 GLN A N 1
903
+ ATOM 515 C CA . GLN A 1 63 ? 47.902 -11.024 32.749 1.00 24.99 ? 63 GLN A CA 1
904
+ ATOM 516 C C . GLN A 1 63 ? 46.639 -11.758 32.322 1.00 23.91 ? 63 GLN A C 1
905
+ ATOM 517 O O . GLN A 1 63 ? 45.609 -11.134 32.094 1.00 23.33 ? 63 GLN A O 1
906
+ ATOM 518 C CB . GLN A 1 63 ? 48.657 -10.716 31.450 1.00 24.92 ? 63 GLN A CB 1
907
+ ATOM 519 C CG . GLN A 1 63 ? 49.858 -9.833 31.530 1.00 26.01 ? 63 GLN A CG 1
908
+ ATOM 520 C CD . GLN A 1 63 ? 50.361 -9.480 30.138 1.00 27.30 ? 63 GLN A CD 1
909
+ ATOM 521 O OE1 . GLN A 1 63 ? 49.747 -9.847 29.113 1.00 28.99 ? 63 GLN A OE1 1
910
+ ATOM 522 N NE2 . GLN A 1 63 ? 51.465 -8.739 30.086 1.00 31.39 ? 63 GLN A NE2 1
911
+ ATOM 523 N N . GLU A 1 64 ? 46.749 -13.077 32.142 1.00 23.12 ? 64 GLU A N 1
912
+ ATOM 524 C CA . GLU A 1 64 ? 45.611 -13.902 31.736 1.00 22.50 ? 64 GLU A CA 1
913
+ ATOM 525 C C . GLU A 1 64 ? 44.491 -13.806 32.765 1.00 21.51 ? 64 GLU A C 1
914
+ ATOM 526 O O . GLU A 1 64 ? 43.320 -13.666 32.399 1.00 21.41 ? 64 GLU A O 1
915
+ ATOM 527 C CB . GLU A 1 64 ? 46.033 -15.360 31.556 1.00 22.63 ? 64 GLU A CB 1
916
+ ATOM 528 C CG . GLU A 1 64 ? 47.040 -15.570 30.424 1.00 25.36 ? 64 GLU A CG 1
917
+ ATOM 529 C CD . GLU A 1 64 ? 46.586 -14.946 29.089 1.00 29.95 ? 64 GLU A CD 1
918
+ ATOM 530 O OE1 . GLU A 1 64 ? 45.400 -15.106 28.691 1.00 29.84 ? 64 GLU A OE1 1
919
+ ATOM 531 O OE2 . GLU A 1 64 ? 47.436 -14.296 28.434 1.00 31.91 ? 64 GLU A OE2 1
920
+ ATOM 532 N N . TYR A 1 65 ? 44.866 -13.871 34.044 1.00 20.38 ? 65 TYR A N 1
921
+ ATOM 533 C CA . TYR A 1 65 ? 43.915 -13.723 35.150 1.00 19.90 ? 65 TYR A CA 1
922
+ ATOM 534 C C . TYR A 1 65 ? 43.354 -12.311 35.192 1.00 19.23 ? 65 TYR A C 1
923
+ ATOM 535 O O . TYR A 1 65 ? 42.152 -12.110 35.406 1.00 18.65 ? 65 TYR A O 1
924
+ ATOM 536 C CB . TYR A 1 65 ? 44.568 -14.106 36.490 1.00 20.09 ? 65 TYR A CB 1
925
+ ATOM 537 C CG . TYR A 1 65 ? 44.678 -15.608 36.709 1.00 19.92 ? 65 TYR A CG 1
926
+ ATOM 538 C CD1 . TYR A 1 65 ? 43.521 -16.396 36.877 1.00 19.75 ? 65 TYR A CD1 1
927
+ ATOM 539 C CD2 . TYR A 1 65 ? 45.932 -16.256 36.726 1.00 20.28 ? 65 TYR A CD2 1
928
+ ATOM 540 C CE1 . TYR A 1 65 ? 43.598 -17.795 37.083 1.00 18.97 ? 65 TYR A CE1 1
929
+ ATOM 541 C CE2 . TYR A 1 65 ? 46.014 -17.680 36.917 1.00 19.75 ? 65 TYR A CE2 1
930
+ ATOM 542 C CZ . TYR A 1 65 ? 44.840 -18.427 37.101 1.00 19.24 ? 65 TYR A CZ 1
931
+ ATOM 543 O OH . TYR A 1 65 ? 44.883 -19.797 37.301 1.00 19.63 ? 65 TYR A OH 1
932
+ ATOM 544 N N . THR A 1 66 ? 44.227 -11.331 34.960 1.00 18.73 ? 66 THR A N 1
933
+ ATOM 545 C CA . THR A 1 66 ? 43.783 -9.940 34.863 1.00 18.81 ? 66 THR A CA 1
934
+ ATOM 546 C C . THR A 1 66 ? 42.741 -9.766 33.762 1.00 18.75 ? 66 THR A C 1
935
+ ATOM 547 O O . THR A 1 66 ? 41.704 -9.141 33.981 1.00 18.88 ? 66 THR A O 1
936
+ ATOM 548 C CB . THR A 1 66 ? 44.955 -8.949 34.698 1.00 18.64 ? 66 THR A CB 1
937
+ ATOM 549 O OG1 . THR A 1 66 ? 45.859 -9.107 35.802 1.00 19.53 ? 66 THR A OG1 1
938
+ ATOM 550 C CG2 . THR A 1 66 ? 44.448 -7.513 34.706 1.00 18.67 ? 66 THR A CG2 1
939
+ ATOM 551 N N . LEU A 1 67 ? 42.991 -10.347 32.595 1.00 18.50 ? 67 LEU A N 1
940
+ ATOM 552 C CA . LEU A 1 67 ? 42.052 -10.239 31.501 1.00 18.50 ? 67 LEU A CA 1
941
+ ATOM 553 C C . LEU A 1 67 ? 40.754 -10.978 31.802 1.00 18.71 ? 67 LEU A C 1
942
+ ATOM 554 O O . LEU A 1 67 ? 39.687 -10.503 31.417 1.00 19.66 ? 67 LEU A O 1
943
+ ATOM 555 C CB . LEU A 1 67 ? 42.684 -10.744 30.207 1.00 18.31 ? 67 LEU A CB 1
944
+ ATOM 556 C CG . LEU A 1 67 ? 43.643 -9.772 29.543 1.00 17.96 ? 67 LEU A CG 1
945
+ ATOM 557 C CD1 . LEU A 1 67 ? 44.604 -10.543 28.633 1.00 17.31 ? 67 LEU A CD1 1
946
+ ATOM 558 C CD2 . LEU A 1 67 ? 42.879 -8.679 28.781 1.00 15.71 ? 67 LEU A CD2 1
947
+ ATOM 559 N N . ASP A 1 68 ? 40.830 -12.124 32.490 1.00 18.81 ? 68 ASP A N 1
948
+ ATOM 560 C CA . ASP A 1 68 ? 39.611 -12.863 32.909 1.00 18.46 ? 68 ASP A CA 1
949
+ ATOM 561 C C . ASP A 1 68 ? 38.667 -11.948 33.678 1.00 18.71 ? 68 ASP A C 1
950
+ ATOM 562 O O . ASP A 1 68 ? 37.480 -11.906 33.409 1.00 18.05 ? 68 ASP A O 1
951
+ ATOM 563 C CB . ASP A 1 68 ? 39.942 -14.047 33.824 1.00 17.76 ? 68 ASP A CB 1
952
+ ATOM 564 C CG . ASP A 1 68 ? 40.492 -15.248 33.070 1.00 20.37 ? 68 ASP A CG 1
953
+ ATOM 565 O OD1 . ASP A 1 68 ? 40.283 -15.344 31.839 1.00 22.07 ? 68 ASP A OD1 1
954
+ ATOM 566 O OD2 . ASP A 1 68 ? 41.141 -16.103 33.714 1.00 19.97 ? 68 ASP A OD2 1
955
+ ATOM 567 N N . PHE A 1 69 ? 39.210 -11.231 34.660 1.00 18.77 ? 69 PHE A N 1
956
+ ATOM 568 C CA . PHE A 1 69 ? 38.388 -10.344 35.460 1.00 19.58 ? 69 PHE A CA 1
957
+ ATOM 569 C C . PHE A 1 69 ? 37.926 -9.090 34.709 1.00 20.29 ? 69 PHE A C 1
958
+ ATOM 570 O O . PHE A 1 69 ? 36.844 -8.568 34.986 1.00 20.71 ? 69 PHE A O 1
959
+ ATOM 571 C CB . PHE A 1 69 ? 39.056 -10.033 36.803 1.00 19.13 ? 69 PHE A CB 1
960
+ ATOM 572 C CG . PHE A 1 69 ? 38.981 -11.183 37.777 1.00 18.74 ? 69 PHE A CG 1
961
+ ATOM 573 C CD1 . PHE A 1 69 ? 37.776 -11.485 38.416 1.00 18.73 ? 69 PHE A CD1 1
962
+ ATOM 574 C CD2 . PHE A 1 69 ? 40.099 -11.996 38.009 1.00 16.05 ? 69 PHE A CD2 1
963
+ ATOM 575 C CE1 . PHE A 1 69 ? 37.696 -12.569 39.301 1.00 19.87 ? 69 PHE A CE1 1
964
+ ATOM 576 C CE2 . PHE A 1 69 ? 40.033 -13.068 38.873 1.00 15.80 ? 69 PHE A CE2 1
965
+ ATOM 577 C CZ . PHE A 1 69 ? 38.837 -13.370 39.520 1.00 19.04 ? 69 PHE A CZ 1
966
+ ATOM 578 N N . LEU A 1 70 ? 38.718 -8.612 33.754 1.00 21.02 ? 70 LEU A N 1
967
+ ATOM 579 C CA . LEU A 1 70 ? 38.248 -7.513 32.924 1.00 23.04 ? 70 LEU A CA 1
968
+ ATOM 580 C C . LEU A 1 70 ? 37.035 -7.964 32.110 1.00 25.25 ? 70 LEU A C 1
969
+ ATOM 581 O O . LEU A 1 70 ? 36.068 -7.223 31.987 1.00 25.06 ? 70 LEU A O 1
970
+ ATOM 582 C CB . LEU A 1 70 ? 39.344 -6.965 32.013 1.00 21.90 ? 70 LEU A CB 1
971
+ ATOM 583 C CG . LEU A 1 70 ? 40.438 -6.094 32.638 1.00 20.81 ? 70 LEU A CG 1
972
+ ATOM 584 C CD1 . LEU A 1 70 ? 41.460 -5.828 31.563 1.00 18.02 ? 70 LEU A CD1 1
973
+ ATOM 585 C CD2 . LEU A 1 70 ? 39.887 -4.766 33.212 1.00 18.18 ? 70 LEU A CD2 1
974
+ ATOM 586 N N . MET A 1 71 ? 37.102 -9.183 31.578 1.00 28.22 ? 71 MET A N 1
975
+ ATOM 587 C CA . MET A 1 71 ? 36.016 -9.777 30.809 1.00 32.17 ? 71 MET A CA 1
976
+ ATOM 588 C C . MET A 1 71 ? 34.707 -9.732 31.582 1.00 32.78 ? 71 MET A C 1
977
+ ATOM 589 O O . MET A 1 71 ? 33.645 -9.608 30.985 1.00 34.10 ? 71 MET A O 1
978
+ ATOM 590 C CB . MET A 1 71 ? 36.352 -11.224 30.420 1.00 31.96 ? 71 MET A CB 1
979
+ ATOM 591 C CG . MET A 1 71 ? 36.970 -11.391 29.040 1.00 32.97 ? 71 MET A CG 1
980
+ ATOM 592 S SD . MET A 1 71 ? 37.655 -13.066 28.724 1.00 37.18 ? 71 MET A SD 1
981
+ ATOM 593 C CE . MET A 1 71 ? 36.383 -14.176 29.360 1.00 37.57 ? 71 MET A CE 1
982
+ ATOM 594 N N . ASP A 1 72 ? 34.786 -9.790 32.910 1.00 33.67 ? 72 ASP A N 1
983
+ ATOM 595 C CA . ASP A 1 72 ? 33.591 -9.772 33.765 1.00 33.91 ? 72 ASP A CA 1
984
+ ATOM 596 C C . ASP A 1 72 ? 32.895 -8.412 33.840 1.00 32.99 ? 72 ASP A C 1
985
+ ATOM 597 O O . ASP A 1 72 ? 31.885 -8.271 34.525 1.00 32.57 ? 72 ASP A O 1
986
+ ATOM 598 C CB . ASP A 1 72 ? 33.933 -10.221 35.204 1.00 34.93 ? 72 ASP A CB 1
987
+ ATOM 599 C CG . ASP A 1 72 ? 34.368 -11.683 35.294 1.00 37.20 ? 72 ASP A CG 1
988
+ ATOM 600 O OD1 . ASP A 1 72 ? 34.188 -12.443 34.307 1.00 40.85 ? 72 ASP A OD1 1
989
+ ATOM 601 O OD2 . ASP A 1 72 ? 34.874 -12.078 36.377 1.00 40.32 ? 72 ASP A OD2 1
990
+ ATOM 602 N N . LEU A 1 73 ? 33.448 -7.403 33.179 1.00 31.59 ? 73 LEU A N 1
991
+ ATOM 603 C CA . LEU A 1 73 ? 32.826 -6.092 33.195 1.00 30.54 ? 73 LEU A CA 1
992
+ ATOM 604 C C . LEU A 1 73 ? 31.845 -5.987 32.044 1.00 30.19 ? 73 LEU A C 1
993
+ ATOM 605 O O . LEU A 1 73 ? 30.942 -5.145 32.051 1.00 30.08 ? 73 LEU A O 1
994
+ ATOM 606 C CB . LEU A 1 73 ? 33.874 -4.986 33.087 1.00 30.24 ? 73 LEU A CB 1
995
+ ATOM 607 C CG . LEU A 1 73 ? 34.800 -4.762 34.282 1.00 30.01 ? 73 LEU A CG 1
996
+ ATOM 608 C CD1 . LEU A 1 73 ? 35.846 -3.723 33.938 1.00 27.53 ? 73 LEU A CD1 1
997
+ ATOM 609 C CD2 . LEU A 1 73 ? 34.006 -4.361 35.557 1.00 30.59 ? 73 LEU A CD2 1
998
+ ATOM 610 N N . ILE A 1 74 ? 32.028 -6.867 31.069 1.00 29.89 ? 74 ILE A N 1
999
+ ATOM 611 C CA . ILE A 1 74 ? 31.338 -6.765 29.801 1.00 29.81 ? 74 ILE A CA 1
1000
+ ATOM 612 C C . ILE A 1 74 ? 29.826 -7.009 29.904 1.00 30.48 ? 74 ILE A C 1
1001
+ ATOM 613 O O . ILE A 1 74 ? 29.068 -6.118 29.557 1.00 30.32 ? 74 ILE A O 1
1002
+ ATOM 614 C CB . ILE A 1 74 ? 32.000 -7.616 28.711 1.00 29.45 ? 74 ILE A CB 1
1003
+ ATOM 615 C CG1 . ILE A 1 74 ? 33.449 -7.145 28.522 1.00 28.41 ? 74 ILE A CG1 1
1004
+ ATOM 616 C CG2 . ILE A 1 74 ? 31.187 -7.518 27.387 1.00 28.58 ? 74 ILE A CG2 1
1005
+ ATOM 617 C CD1 . ILE A 1 74 ? 34.233 -7.927 27.498 1.00 25.11 ? 74 ILE A CD1 1
1006
+ ATOM 618 N N . PRO A 1 75 ? 29.390 -8.193 30.410 1.00 30.98 ? 75 PRO A N 1
1007
+ ATOM 619 C CA . PRO A 1 75 ? 27.957 -8.503 30.467 1.00 31.61 ? 75 PRO A CA 1
1008
+ ATOM 620 C C . PRO A 1 75 ? 27.071 -7.379 30.979 1.00 31.68 ? 75 PRO A C 1
1009
+ ATOM 621 O O . PRO A 1 75 ? 25.974 -7.171 30.460 1.00 32.03 ? 75 PRO A O 1
1010
+ ATOM 622 C CB . PRO A 1 75 ? 27.903 -9.708 31.413 1.00 31.76 ? 75 PRO A CB 1
1011
+ ATOM 623 C CG . PRO A 1 75 ? 29.181 -10.427 31.109 1.00 31.66 ? 75 PRO A CG 1
1012
+ ATOM 624 C CD . PRO A 1 75 ? 30.192 -9.313 30.946 1.00 31.00 ? 75 PRO A CD 1
1013
+ ATOM 625 N N . ASP A 1 76 ? 27.546 -6.642 31.967 1.00 31.90 ? 76 ASP A N 1
1014
+ ATOM 626 C CA . ASP A 1 76 ? 26.750 -5.587 32.558 1.00 32.07 ? 76 ASP A CA 1
1015
+ ATOM 627 C C . ASP A 1 76 ? 26.520 -4.431 31.578 1.00 31.57 ? 76 ASP A C 1
1016
+ ATOM 628 O O . ASP A 1 76 ? 25.486 -3.739 31.649 1.00 31.59 ? 76 ASP A O 1
1017
+ ATOM 629 C CB . ASP A 1 76 ? 27.421 -5.095 33.834 1.00 33.20 ? 76 ASP A CB 1
1018
+ ATOM 630 C CG . ASP A 1 76 ? 26.501 -4.266 34.682 1.00 35.81 ? 76 ASP A CG 1
1019
+ ATOM 631 O OD1 . ASP A 1 76 ? 26.307 -3.081 34.333 1.00 40.50 ? 76 ASP A OD1 1
1020
+ ATOM 632 O OD2 . ASP A 1 76 ? 25.966 -4.797 35.684 1.00 37.30 ? 76 ASP A OD2 1
1021
+ ATOM 633 N N . THR A 1 77 ? 27.475 -4.224 30.667 1.00 30.06 ? 77 THR A N 1
1022
+ ATOM 634 C CA . THR A 1 77 ? 27.361 -3.174 29.650 1.00 28.80 ? 77 THR A CA 1
1023
+ ATOM 635 C C . THR A 1 77 ? 26.355 -3.540 28.559 1.00 28.60 ? 77 THR A C 1
1024
+ ATOM 636 O O . THR A 1 77 ? 25.958 -2.688 27.749 1.00 28.14 ? 77 THR A O 1
1025
+ ATOM 637 C CB . THR A 1 77 ? 28.720 -2.860 28.993 1.00 28.82 ? 77 THR A CB 1
1026
+ ATOM 638 O OG1 . THR A 1 77 ? 29.150 -3.993 28.239 1.00 27.90 ? 77 THR A OG1 1
1027
+ ATOM 639 C CG2 . THR A 1 77 ? 29.753 -2.539 30.037 1.00 28.40 ? 77 THR A CG2 1
1028
+ ATOM 640 N N . LEU A 1 78 ? 25.950 -4.807 28.539 1.00 27.79 ? 78 LEU A N 1
1029
+ ATOM 641 C CA . LEU A 1 78 ? 25.045 -5.294 27.513 1.00 27.49 ? 78 LEU A CA 1
1030
+ ATOM 642 C C . LEU A 1 78 ? 23.660 -5.636 28.054 1.00 27.72 ? 78 LEU A C 1
1031
+ ATOM 643 O O . LEU A 1 78 ? 22.804 -6.068 27.283 1.00 27.32 ? 78 LEU A O 1
1032
+ ATOM 644 C CB . LEU A 1 78 ? 25.631 -6.525 26.810 1.00 27.01 ? 78 LEU A CB 1
1033
+ ATOM 645 C CG . LEU A 1 78 ? 27.008 -6.406 26.148 1.00 26.95 ? 78 LEU A CG 1
1034
+ ATOM 646 C CD1 . LEU A 1 78 ? 27.582 -7.765 25.827 1.00 25.63 ? 78 LEU A CD1 1
1035
+ ATOM 647 C CD2 . LEU A 1 78 ? 26.947 -5.570 24.909 1.00 25.90 ? 78 LEU A CD2 1
1036
+ ATOM 648 N N . LYS A 1 79 ? 23.439 -5.461 29.360 1.00 27.81 ? 79 LYS A N 1
1037
+ ATOM 649 C CA . LYS A 1 79 ? 22.177 -5.866 29.968 1.00 29.19 ? 79 LYS A CA 1
1038
+ ATOM 650 C C . LYS A 1 79 ? 20.939 -5.108 29.415 1.00 29.44 ? 79 LYS A C 1
1039
+ ATOM 651 O O . LYS A 1 79 ? 19.819 -5.546 29.617 1.00 29.05 ? 79 LYS A O 1
1040
+ ATOM 652 C CB . LYS A 1 79 ? 22.252 -5.800 31.502 1.00 29.18 ? 79 LYS A CB 1
1041
+ ATOM 653 C CG . LYS A 1 79 ? 22.307 -4.402 32.078 1.00 29.75 ? 79 LYS A CG 1
1042
+ ATOM 654 C CD . LYS A 1 79 ? 22.382 -4.419 33.585 1.00 30.48 ? 79 LYS A CD 1
1043
+ ATOM 655 C CE . LYS A 1 79 ? 22.794 -3.045 34.108 1.00 33.42 ? 79 LYS A CE 1
1044
+ ATOM 656 N NZ . LYS A 1 79 ? 22.624 -2.893 35.590 1.00 34.74 ? 79 LYS A NZ 1
1045
+ ATOM 657 N N . ASP A 1 80 ? 21.165 -3.994 28.713 1.00 30.20 ? 80 ASP A N 1
1046
+ ATOM 658 C CA . ASP A 1 80 ? 20.099 -3.226 28.043 1.00 31.83 ? 80 ASP A CA 1
1047
+ ATOM 659 C C . ASP A 1 80 ? 19.783 -3.734 26.615 1.00 31.97 ? 80 ASP A C 1
1048
+ ATOM 660 O O . ASP A 1 80 ? 18.871 -3.243 25.949 1.00 31.71 ? 80 ASP A O 1
1049
+ ATOM 661 C CB . ASP A 1 80 ? 20.465 -1.735 28.002 1.00 32.24 ? 80 ASP A CB 1
1050
+ ATOM 662 C CG . ASP A 1 80 ? 21.779 -1.455 27.244 1.00 35.75 ? 80 ASP A CG 1
1051
+ ATOM 663 O OD1 . ASP A 1 80 ? 22.662 -2.348 27.147 1.00 38.62 ? 80 ASP A OD1 1
1052
+ ATOM 664 O OD2 . ASP A 1 80 ? 21.937 -0.315 26.748 1.00 39.82 ? 80 ASP A OD2 1
1053
+ ATOM 665 N N . ARG A 1 81 ? 20.556 -4.709 26.152 1.00 32.27 ? 81 ARG A N 1
1054
+ ATOM 666 C CA . ARG A 1 81 ? 20.324 -5.321 24.855 1.00 32.81 ? 81 ARG A CA 1
1055
+ ATOM 667 C C . ARG A 1 81 ? 19.709 -6.706 24.994 1.00 32.99 ? 81 ARG A C 1
1056
+ ATOM 668 O O . ARG A 1 81 ? 19.984 -7.433 25.954 1.00 32.68 ? 81 ARG A O 1
1057
+ ATOM 669 C CB . ARG A 1 81 ? 21.632 -5.439 24.086 1.00 32.90 ? 81 ARG A CB 1
1058
+ ATOM 670 C CG . ARG A 1 81 ? 22.428 -4.155 23.948 1.00 33.84 ? 81 ARG A CG 1
1059
+ ATOM 671 C CD . ARG A 1 81 ? 23.326 -4.266 22.722 1.00 36.95 ? 81 ARG A CD 1
1060
+ ATOM 672 N NE . ARG A 1 81 ? 24.498 -3.392 22.787 1.00 38.50 ? 81 ARG A NE 1
1061
+ ATOM 673 C CZ . ARG A 1 81 ? 25.249 -3.071 21.737 1.00 38.24 ? 81 ARG A CZ 1
1062
+ ATOM 674 N NH1 . ARG A 1 81 ? 24.952 -3.541 20.531 1.00 38.38 ? 81 ARG A NH1 1
1063
+ ATOM 675 N NH2 . ARG A 1 81 ? 26.303 -2.283 21.897 1.00 38.06 ? 81 ARG A NH2 1
1064
+ ATOM 676 N N . LYS A 1 82 ? 18.896 -7.075 24.009 1.00 33.23 ? 82 LYS A N 1
1065
+ ATOM 677 C CA . LYS A 1 82 ? 18.323 -8.411 23.958 1.00 33.71 ? 82 LYS A CA 1
1066
+ ATOM 678 C C . LYS A 1 82 ? 19.192 -9.264 23.040 1.00 33.11 ? 82 LYS A C 1
1067
+ ATOM 679 O O . LYS A 1 82 ? 19.218 -9.057 21.826 1.00 32.92 ? 82 LYS A O 1
1068
+ ATOM 680 C CB . LYS A 1 82 ? 16.866 -8.361 23.482 1.00 33.58 ? 82 LYS A CB 1
1069
+ ATOM 681 C CG . LYS A 1 82 ? 16.001 -9.487 24.038 1.00 35.01 ? 82 LYS A CG 1
1070
+ ATOM 682 C CD . LYS A 1 82 ? 14.573 -9.433 23.484 1.00 35.01 ? 82 LYS A CD 1
1071
+ ATOM 683 C CE . LYS A 1 82 ? 13.697 -10.482 24.161 1.00 38.02 ? 82 LYS A CE 1
1072
+ ATOM 684 N NZ . LYS A 1 82 ? 12.282 -10.525 23.634 1.00 38.76 ? 82 LYS A NZ 1
1073
+ ATOM 685 N N . LEU A 1 83 ? 19.916 -10.202 23.651 1.00 32.96 ? 83 LEU A N 1
1074
+ ATOM 686 C CA . LEU A 1 83 ? 20.882 -11.045 22.961 1.00 32.57 ? 83 LEU A CA 1
1075
+ ATOM 687 C C . LEU A 1 83 ? 20.568 -12.519 23.145 1.00 32.80 ? 83 LEU A C 1
1076
+ ATOM 688 O O . LEU A 1 83 ? 20.138 -12.948 24.221 1.00 33.10 ? 83 LEU A O 1
1077
+ ATOM 689 C CB . LEU A 1 83 ? 22.295 -10.780 23.474 1.00 32.67 ? 83 LEU A CB 1
1078
+ ATOM 690 C CG . LEU A 1 83 ? 22.848 -9.351 23.509 1.00 31.93 ? 83 LEU A CG 1
1079
+ ATOM 691 C CD1 . LEU A 1 83 ? 24.196 -9.388 24.148 1.00 32.09 ? 83 LEU A CD1 1
1080
+ ATOM 692 C CD2 . LEU A 1 83 ? 22.928 -8.713 22.121 1.00 30.98 ? 83 LEU A CD2 1
1081
+ ATOM 693 N N . ILE A 1 84 ? 20.810 -13.299 22.096 1.00 32.62 ? 84 ILE A N 1
1082
+ ATOM 694 C CA . ILE A 1 84 ? 20.567 -14.731 22.136 1.00 32.34 ? 84 ILE A CA 1
1083
+ ATOM 695 C C . ILE A 1 84 ? 21.591 -15.409 23.025 1.00 32.48 ? 84 ILE A C 1
1084
+ ATOM 696 O O . ILE A 1 84 ? 21.245 -16.272 23.828 1.00 33.56 ? 84 ILE A O 1
1085
+ ATOM 697 C CB . ILE A 1 84 ? 20.620 -15.381 20.733 1.00 32.01 ? 84 ILE A CB 1
1086
+ ATOM 698 C CG1 . ILE A 1 84 ? 19.973 -14.480 19.680 1.00 31.89 ? 84 ILE A CG1 1
1087
+ ATOM 699 C CG2 . ILE A 1 84 ? 19.970 -16.757 20.754 1.00 31.53 ? 84 ILE A CG2 1
1088
+ ATOM 700 C CD1 . ILE A 1 84 ? 18.487 -14.417 19.760 1.00 32.24 ? 84 ILE A CD1 1
1089
+ ATOM 701 N N . LEU A 1 85 ? 22.853 -15.031 22.877 1.00 31.99 ? 85 LEU A N 1
1090
+ ATOM 702 C CA . LEU A 1 85 ? 23.924 -15.770 23.522 1.00 31.31 ? 85 LEU A CA 1
1091
+ ATOM 703 C C . LEU A 1 85 ? 24.685 -14.854 24.442 1.00 30.81 ? 85 LEU A C 1
1092
+ ATOM 704 O O . LEU A 1 85 ? 24.477 -13.638 24.432 1.00 31.11 ? 85 LEU A O 1
1093
+ ATOM 705 C CB . LEU A 1 85 ? 24.868 -16.368 22.465 1.00 31.53 ? 85 LEU A CB 1
1094
+ ATOM 706 C CG . LEU A 1 85 ? 24.199 -16.928 21.197 1.00 31.24 ? 85 LEU A CG 1
1095
+ ATOM 707 C CD1 . LEU A 1 85 ? 25.225 -17.269 20.129 1.00 31.88 ? 85 LEU A CD1 1
1096
+ ATOM 708 C CD2 . LEU A 1 85 ? 23.350 -18.139 21.522 1.00 32.07 ? 85 LEU A CD2 1
1097
+ ATOM 709 N N . SER A 1 86 ? 25.564 -15.439 25.250 1.00 30.02 ? 86 SER A N 1
1098
+ ATOM 710 C CA . SER A 1 86 ? 26.552 -14.654 25.968 1.00 29.08 ? 86 SER A CA 1
1099
+ ATOM 711 C C . SER A 1 86 ? 27.595 -14.184 24.960 1.00 27.67 ? 86 SER A C 1
1100
+ ATOM 712 O O . SER A 1 86 ? 27.767 -14.800 23.915 1.00 27.29 ? 86 SER A O 1
1101
+ ATOM 713 C CB . SER A 1 86 ? 27.176 -15.476 27.089 1.00 29.29 ? 86 SER A CB 1
1102
+ ATOM 714 O OG . SER A 1 86 ? 26.180 -15.744 28.058 1.00 31.22 ? 86 SER A OG 1
1103
+ ATOM 715 N N . PRO A 1 87 ? 28.261 -13.063 25.247 1.00 26.79 ? 87 PRO A N 1
1104
+ ATOM 716 C CA . PRO A 1 87 ? 29.258 -12.565 24.313 1.00 25.90 ? 87 PRO A CA 1
1105
+ ATOM 717 C C . PRO A 1 87 ? 30.348 -13.615 24.076 1.00 25.28 ? 87 PRO A C 1
1106
+ ATOM 718 O O . PRO A 1 87 ? 30.760 -14.303 25.009 1.00 25.10 ? 87 PRO A O 1
1107
+ ATOM 719 C CB . PRO A 1 87 ? 29.852 -11.366 25.047 1.00 25.93 ? 87 PRO A CB 1
1108
+ ATOM 720 C CG . PRO A 1 87 ? 28.803 -10.962 26.020 1.00 27.01 ? 87 PRO A CG 1
1109
+ ATOM 721 C CD . PRO A 1 87 ? 28.126 -12.206 26.437 1.00 26.70 ? 87 PRO A CD 1
1110
+ ATOM 722 N N . ILE A 1 88 ? 30.795 -13.737 22.830 1.00 24.41 ? 88 ILE A N 1
1111
+ ATOM 723 C CA . ILE A 1 88 ? 31.869 -14.646 22.467 1.00 23.30 ? 88 ILE A CA 1
1112
+ ATOM 724 C C . ILE A 1 88 ? 33.139 -13.815 22.331 1.00 22.38 ? 88 ILE A C 1
1113
+ ATOM 725 O O . ILE A 1 88 ? 33.185 -12.865 21.558 1.00 21.40 ? 88 ILE A O 1
1114
+ ATOM 726 C CB . ILE A 1 88 ? 31.529 -15.418 21.165 1.00 23.59 ? 88 ILE A CB 1
1115
+ ATOM 727 C CG1 . ILE A 1 88 ? 30.406 -16.422 21.443 1.00 25.10 ? 88 ILE A CG1 1
1116
+ ATOM 728 C CG2 . ILE A 1 88 ? 32.758 -16.149 20.612 1.00 23.62 ? 88 ILE A CG2 1
1117
+ ATOM 729 C CD1 . ILE A 1 88 ? 29.589 -16.822 20.227 1.00 29.68 ? 88 ILE A CD1 1
1118
+ ATOM 730 N N . VAL A 1 89 ? 34.158 -14.179 23.102 1.00 21.56 ? 89 VAL A N 1
1119
+ ATOM 731 C CA . VAL A 1 89 ? 35.433 -13.482 23.075 1.00 21.27 ? 89 VAL A CA 1
1120
+ ATOM 732 C C . VAL A 1 89 ? 36.222 -13.944 21.859 1.00 21.37 ? 89 VAL A C 1
1121
+ ATOM 733 O O . VAL A 1 89 ? 36.504 -15.132 21.716 1.00 22.17 ? 89 VAL A O 1
1122
+ ATOM 734 C CB . VAL A 1 89 ? 36.240 -13.745 24.367 1.00 21.25 ? 89 VAL A CB 1
1123
+ ATOM 735 C CG1 . VAL A 1 89 ? 37.669 -13.181 24.247 1.00 21.95 ? 89 VAL A CG1 1
1124
+ ATOM 736 C CG2 . VAL A 1 89 ? 35.518 -13.124 25.594 1.00 20.69 ? 89 VAL A CG2 1
1125
+ ATOM 737 N N . THR A 1 90 ? 36.576 -13.012 20.982 1.00 20.38 ? 90 THR A N 1
1126
+ ATOM 738 C CA . THR A 1 90 ? 37.330 -13.349 19.777 1.00 20.42 ? 90 THR A CA 1
1127
+ ATOM 739 C C . THR A 1 90 ? 38.777 -12.831 19.811 1.00 20.14 ? 90 THR A C 1
1128
+ ATOM 740 O O . THR A 1 90 ? 39.611 -13.226 18.989 1.00 19.94 ? 90 THR A O 1
1129
+ ATOM 741 C CB . THR A 1 90 ? 36.605 -12.852 18.509 1.00 20.15 ? 90 THR A CB 1
1130
+ ATOM 742 O OG1 . THR A 1 90 ? 36.385 -11.440 18.622 1.00 21.24 ? 90 THR A OG1 1
1131
+ ATOM 743 C CG2 . THR A 1 90 ? 35.224 -13.603 18.337 1.00 20.42 ? 90 THR A CG2 1
1132
+ ATOM 744 N N . GLU A 1 91 ? 39.069 -11.953 20.767 1.00 19.59 ? 91 GLU A N 1
1133
+ ATOM 745 C CA . GLU A 1 91 ? 40.411 -11.427 20.944 1.00 19.59 ? 91 GLU A CA 1
1134
+ ATOM 746 C C . GLU A 1 91 ? 40.603 -10.858 22.353 1.00 19.49 ? 91 GLU A C 1
1135
+ ATOM 747 O O . GLU A 1 91 ? 39.701 -10.223 22.889 1.00 18.51 ? 91 GLU A O 1
1136
+ ATOM 748 C CB . GLU A 1 91 ? 40.676 -10.326 19.922 1.00 19.43 ? 91 GLU A CB 1
1137
+ ATOM 749 C CG . GLU A 1 91 ? 42.111 -9.841 19.879 1.00 21.09 ? 91 GLU A CG 1
1138
+ ATOM 750 C CD . GLU A 1 91 ? 42.405 -8.986 18.650 1.00 23.92 ? 91 GLU A CD 1
1139
+ ATOM 751 O OE1 . GLU A 1 91 ? 41.579 -8.100 18.323 1.00 23.04 ? 91 GLU A OE1 1
1140
+ ATOM 752 O OE2 . GLU A 1 91 ? 43.467 -9.201 18.019 1.00 24.20 ? 91 GLU A OE2 1
1141
+ ATOM 753 N N . ARG A 1 92 ? 41.795 -11.070 22.912 1.00 19.95 ? 92 ARG A N 1
1142
+ ATOM 754 C CA . ARG A 1 92 ? 42.220 -10.490 24.202 1.00 21.10 ? 92 ARG A CA 1
1143
+ ATOM 755 C C . ARG A 1 92 ? 43.625 -9.962 24.074 1.00 21.38 ? 92 ARG A C 1
1144
+ ATOM 756 O O . ARG A 1 92 ? 44.452 -10.550 23.372 1.00 21.52 ? 92 ARG A O 1
1145
+ ATOM 757 C CB . ARG A 1 92 ? 42.217 -11.549 25.302 1.00 21.50 ? 92 ARG A CB 1
1146
+ ATOM 758 C CG . ARG A 1 92 ? 40.845 -11.770 25.933 1.00 23.65 ? 92 ARG A CG 1
1147
+ ATOM 759 C CD . ARG A 1 92 ? 40.676 -13.182 26.558 1.00 26.90 ? 92 ARG A CD 1
1148
+ ATOM 760 N NE . ARG A 1 92 ? 41.794 -13.632 27.392 1.00 26.81 ? 92 ARG A NE 1
1149
+ ATOM 761 C CZ . ARG A 1 92 ? 41.689 -13.923 28.685 1.00 26.21 ? 92 ARG A CZ 1
1150
+ ATOM 762 N NH1 . ARG A 1 92 ? 40.515 -13.800 29.293 1.00 26.99 ? 92 ARG A NH1 1
1151
+ ATOM 763 N NH2 . ARG A 1 92 ? 42.753 -14.338 29.368 1.00 24.29 ? 92 ARG A NH2 1
1152
+ ATOM 764 N N . GLU A 1 93 ? 43.916 -8.874 24.779 1.00 21.52 ? 93 GLU A N 1
1153
+ ATOM 765 C CA . GLU A 1 93 ? 45.238 -8.275 24.730 1.00 22.23 ? 93 GLU A CA 1
1154
+ ATOM 766 C C . GLU A 1 93 ? 45.472 -7.402 25.964 1.00 21.10 ? 93 GLU A C 1
1155
+ ATOM 767 O O . GLU A 1 93 ? 44.626 -6.595 26.319 1.00 20.67 ? 93 GLU A O 1
1156
+ ATOM 768 C CB . GLU A 1 93 ? 45.354 -7.442 23.442 1.00 21.98 ? 93 GLU A CB 1
1157
+ ATOM 769 C CG . GLU A 1 93 ? 46.697 -6.752 23.209 1.00 24.90 ? 93 GLU A CG 1
1158
+ ATOM 770 C CD . GLU A 1 93 ? 46.611 -5.751 22.047 1.00 26.41 ? 93 GLU A CD 1
1159
+ ATOM 771 O OE1 . GLU A 1 93 ? 46.257 -4.562 22.282 1.00 30.01 ? 93 GLU A OE1 1
1160
+ ATOM 772 O OE2 . GLU A 1 93 ? 46.865 -6.166 20.886 1.00 31.96 ? 93 GLU A OE2 1
1161
+ ATOM 773 N N . LEU A 1 94 ? 46.606 -7.586 26.627 1.00 20.74 ? 94 LEU A N 1
1162
+ ATOM 774 C CA . LEU A 1 94 ? 47.046 -6.661 27.666 1.00 20.56 ? 94 LEU A CA 1
1163
+ ATOM 775 C C . LEU A 1 94 ? 48.502 -6.259 27.404 1.00 20.95 ? 94 LEU A C 1
1164
+ ATOM 776 O O . LEU A 1 94 ? 49.346 -7.123 27.209 1.00 20.62 ? 94 LEU A O 1
1165
+ ATOM 777 C CB . LEU A 1 94 ? 46.897 -7.278 29.055 1.00 19.13 ? 94 LEU A CB 1
1166
+ ATOM 778 C CG . LEU A 1 94 ? 47.047 -6.312 30.244 1.00 19.29 ? 94 LEU A CG 1
1167
+ ATOM 779 C CD1 . LEU A 1 94 ? 46.229 -6.776 31.408 1.00 16.64 ? 94 LEU A CD1 1
1168
+ ATOM 780 C CD2 . LEU A 1 94 ? 48.479 -6.151 30.673 1.00 17.63 ? 94 LEU A CD2 1
1169
+ ATOM 781 N N . LYS A 1 95 ? 48.781 -4.952 27.385 1.00 21.93 ? 95 LYS A N 1
1170
+ ATOM 782 C CA . LYS A 1 95 ? 50.160 -4.436 27.226 1.00 23.09 ? 95 LYS A CA 1
1171
+ ATOM 783 C C . LYS A 1 95 ? 50.563 -3.690 28.493 1.00 23.17 ? 95 LYS A C 1
1172
+ ATOM 784 O O . LYS A 1 95 ? 49.911 -2.704 28.877 1.00 22.54 ? 95 LYS A O 1
1173
+ ATOM 785 C CB . LYS A 1 95 ? 50.269 -3.462 26.046 1.00 23.67 ? 95 LYS A CB 1
1174
+ ATOM 786 C CG . LYS A 1 95 ? 49.744 -3.969 24.700 1.00 26.86 ? 95 LYS A CG 1
1175
+ ATOM 787 C CD . LYS A 1 95 ? 50.524 -5.172 24.248 1.00 32.39 ? 95 LYS A CD 1
1176
+ ATOM 788 C CE . LYS A 1 95 ? 50.048 -5.680 22.903 1.00 35.35 ? 95 LYS A CE 1
1177
+ ATOM 789 N NZ . LYS A 1 95 ? 50.740 -6.964 22.603 1.00 38.00 ? 95 LYS A NZ 1
1178
+ ATOM 790 N N . ASP A 1 96 ? 51.630 -4.149 29.143 1.00 23.42 ? 96 ASP A N 1
1179
+ ATOM 791 C CA . ASP A 1 96 ? 52.120 -3.478 30.344 1.00 24.30 ? 96 ASP A CA 1
1180
+ ATOM 792 C C . ASP A 1 96 ? 52.625 -2.079 30.011 1.00 23.46 ? 96 ASP A C 1
1181
+ ATOM 793 O O . ASP A 1 96 ? 52.883 -1.750 28.845 1.00 22.88 ? 96 ASP A O 1
1182
+ ATOM 794 C CB . ASP A 1 96 ? 53.234 -4.282 31.015 1.00 25.81 ? 96 ASP A CB 1
1183
+ ATOM 795 C CG . ASP A 1 96 ? 52.718 -5.528 31.722 1.00 30.37 ? 96 ASP A CG 1
1184
+ ATOM 796 O OD1 . ASP A 1 96 ? 51.664 -5.459 32.423 1.00 35.33 ? 96 ASP A OD1 1
1185
+ ATOM 797 O OD2 . ASP A 1 96 ? 53.385 -6.584 31.590 1.00 36.61 ? 96 ASP A OD2 1
1186
+ ATOM 798 N N . VAL A 1 97 ? 52.764 -1.263 31.050 1.00 22.94 ? 97 VAL A N 1
1187
+ ATOM 799 C CA . VAL A 1 97 ? 53.270 0.072 30.899 1.00 22.66 ? 97 VAL A CA 1
1188
+ ATOM 800 C C . VAL A 1 97 ? 54.608 -0.025 30.171 1.00 22.37 ? 97 VAL A C 1
1189
+ ATOM 801 O O . VAL A 1 97 ? 55.373 -0.972 30.361 1.00 21.59 ? 97 VAL A O 1
1190
+ ATOM 802 C CB . VAL A 1 97 ? 53.432 0.794 32.260 1.00 23.33 ? 97 VAL A CB 1
1191
+ ATOM 803 C CG1 . VAL A 1 97 ? 54.451 0.054 33.180 1.00 22.76 ? 97 VAL A CG1 1
1192
+ ATOM 804 C CG2 . VAL A 1 97 ? 53.829 2.275 32.041 1.00 22.27 ? 97 VAL A CG2 1
1193
+ ATOM 805 N N . THR A 1 98 ? 54.848 0.935 29.293 1.00 21.94 ? 98 THR A N 1
1194
+ ATOM 806 C CA . THR A 1 98 ? 56.093 0.955 28.539 1.00 22.20 ? 98 THR A CA 1
1195
+ ATOM 807 C C . THR A 1 98 ? 56.584 2.376 28.305 1.00 20.12 ? 98 THR A C 1
1196
+ ATOM 808 O O . THR A 1 98 ? 55.814 3.318 28.340 1.00 19.72 ? 98 THR A O 1
1197
+ ATOM 809 C CB . THR A 1 98 ? 55.977 0.164 27.197 1.00 22.79 ? 98 THR A CB 1
1198
+ ATOM 810 O OG1 . THR A 1 98 ? 57.278 0.067 26.604 1.00 25.69 ? 98 THR A OG1 1
1199
+ ATOM 811 C CG2 . THR A 1 98 ? 55.004 0.842 26.228 1.00 23.02 ? 98 THR A CG2 1
1200
+ ATOM 812 N N . ALA A 1 99 ? 57.879 2.511 28.073 1.00 19.13 ? 99 ALA A N 1
1201
+ ATOM 813 C CA . ALA A 1 99 ? 58.482 3.815 27.847 1.00 18.49 ? 99 ALA A CA 1
1202
+ ATOM 814 C C . ALA A 1 99 ? 59.697 3.689 26.936 1.00 18.07 ? 99 ALA A C 1
1203
+ ATOM 815 O O . ALA A 1 99 ? 60.401 2.675 26.951 1.00 17.76 ? 99 ALA A O 1
1204
+ ATOM 816 C CB . ALA A 1 99 ? 58.844 4.474 29.168 1.00 17.25 ? 99 ALA A CB 1
1205
+ ATOM 817 N N . ARG A 1 100 ? 59.926 4.730 26.145 1.00 18.10 ? 100 ARG A N 1
1206
+ ATOM 818 C CA . ARG A 1 100 ? 60.944 4.709 25.105 1.00 18.92 ? 100 ARG A CA 1
1207
+ ATOM 819 C C . ARG A 1 100 ? 61.529 6.110 24.970 1.00 18.32 ? 100 ARG A C 1
1208
+ ATOM 820 O O . ARG A 1 100 ? 60.791 7.100 24.983 1.00 18.79 ? 100 ARG A O 1
1209
+ ATOM 821 C CB . ARG A 1 100 ? 60.283 4.274 23.793 1.00 18.32 ? 100 ARG A CB 1
1210
+ ATOM 822 C CG . ARG A 1 100 ? 61.150 4.225 22.576 1.00 20.49 ? 100 ARG A CG 1
1211
+ ATOM 823 C CD . ARG A 1 100 ? 60.372 3.533 21.427 1.00 20.30 ? 100 ARG A CD 1
1212
+ ATOM 824 N NE . ARG A 1 100 ? 59.244 4.365 21.005 1.00 22.61 ? 100 ARG A NE 1
1213
+ ATOM 825 C CZ . ARG A 1 100 ? 59.330 5.325 20.095 1.00 21.28 ? 100 ARG A CZ 1
1214
+ ATOM 826 N NH1 . ARG A 1 100 ? 60.489 5.583 19.493 1.00 22.38 ? 100 ARG A NH1 1
1215
+ ATOM 827 N NH2 . ARG A 1 100 ? 58.256 6.041 19.796 1.00 23.64 ? 100 ARG A NH2 1
1216
+ ATOM 828 N N . VAL A 1 101 ? 62.846 6.186 24.825 1.00 17.83 ? 101 VAL A N 1
1217
+ ATOM 829 C CA . VAL A 1 101 ? 63.551 7.447 24.527 1.00 17.68 ? 101 VAL A CA 1
1218
+ ATOM 830 C C . VAL A 1 101 ? 64.558 7.231 23.393 1.00 17.92 ? 101 VAL A C 1
1219
+ ATOM 831 O O . VAL A 1 101 ? 65.351 6.288 23.436 1.00 19.18 ? 101 VAL A O 1
1220
+ ATOM 832 C CB . VAL A 1 101 ? 64.312 7.950 25.758 1.00 17.78 ? 101 VAL A CB 1
1221
+ ATOM 833 C CG1 . VAL A 1 101 ? 65.173 9.158 25.420 1.00 17.77 ? 101 VAL A CG1 1
1222
+ ATOM 834 C CG2 . VAL A 1 101 ? 63.334 8.251 26.914 1.00 16.01 ? 101 VAL A CG2 1
1223
+ ATOM 835 N N . VAL A 1 102 ? 64.524 8.082 22.373 1.00 17.63 ? 102 VAL A N 1
1224
+ ATOM 836 C CA . VAL A 1 102 ? 65.500 8.013 21.294 1.00 16.47 ? 102 VAL A CA 1
1225
+ ATOM 837 C C . VAL A 1 102 ? 66.497 9.156 21.498 1.00 16.88 ? 102 VAL A C 1
1226
+ ATOM 838 O O . VAL A 1 102 ? 66.103 10.317 21.638 1.00 16.84 ? 102 VAL A O 1
1227
+ ATOM 839 C CB . VAL A 1 102 ? 64.825 8.093 19.901 1.00 16.32 ? 102 VAL A CB 1
1228
+ ATOM 840 C CG1 . VAL A 1 102 ? 65.856 7.932 18.794 1.00 15.84 ? 102 VAL A CG1 1
1229
+ ATOM 841 C CG2 . VAL A 1 102 ? 63.728 7.036 19.759 1.00 14.55 ? 102 VAL A CG2 1
1230
+ ATOM 842 N N . VAL A 1 103 ? 67.782 8.823 21.543 1.00 16.61 ? 103 VAL A N 1
1231
+ ATOM 843 C CA . VAL A 1 103 ? 68.833 9.834 21.635 1.00 16.31 ? 103 VAL A CA 1
1232
+ ATOM 844 C C . VAL A 1 103 ? 69.812 9.730 20.458 1.00 16.97 ? 103 VAL A C 1
1233
+ ATOM 845 O O . VAL A 1 103 ? 69.950 8.661 19.848 1.00 16.87 ? 103 VAL A O 1
1234
+ ATOM 846 C CB . VAL A 1 103 ? 69.635 9.759 22.994 1.00 16.37 ? 103 VAL A CB 1
1235
+ ATOM 847 C CG1 . VAL A 1 103 ? 68.703 9.826 24.221 1.00 13.57 ? 103 VAL A CG1 1
1236
+ ATOM 848 C CG2 . VAL A 1 103 ? 70.564 8.528 23.055 1.00 15.72 ? 103 VAL A CG2 1
1237
+ ATOM 849 N N . GLU A 1 104 ? 70.483 10.836 20.150 1.00 17.40 ? 104 GLU A N 1
1238
+ ATOM 850 C CA . GLU A 1 104 ? 71.580 10.832 19.198 1.00 18.76 ? 104 GLU A CA 1
1239
+ ATOM 851 C C . GLU A 1 104 ? 72.868 11.180 19.904 1.00 18.75 ? 104 GLU A C 1
1240
+ ATOM 852 O O . GLU A 1 104 ? 72.905 12.098 20.740 1.00 18.68 ? 104 GLU A O 1
1241
+ ATOM 853 C CB . GLU A 1 104 ? 71.329 11.833 18.074 1.00 19.22 ? 104 GLU A CB 1
1242
+ ATOM 854 C CG . GLU A 1 104 ? 70.052 11.560 17.326 1.00 22.77 ? 104 GLU A CG 1
1243
+ ATOM 855 C CD . GLU A 1 104 ? 70.006 12.189 15.945 1.00 24.95 ? 104 GLU A CD 1
1244
+ ATOM 856 O OE1 . GLU A 1 104 ? 70.819 13.105 15.632 1.00 27.73 ? 104 GLU A OE1 1
1245
+ ATOM 857 O OE2 . GLU A 1 104 ? 69.138 11.750 15.180 1.00 25.07 ? 104 GLU A OE2 1
1246
+ ATOM 858 N N . VAL A 1 105 ? 73.927 10.447 19.570 1.00 19.52 ? 105 VAL A N 1
1247
+ ATOM 859 C CA . VAL A 1 105 ? 75.239 10.674 20.168 1.00 19.84 ? 105 VAL A CA 1
1248
+ ATOM 860 C C . VAL A 1 105 ? 76.279 10.867 19.082 1.00 21.04 ? 105 VAL A C 1
1249
+ ATOM 861 O O . VAL A 1 105 ? 76.124 10.362 17.964 1.00 20.83 ? 105 VAL A O 1
1250
+ ATOM 862 C CB . VAL A 1 105 ? 75.676 9.538 21.136 1.00 20.05 ? 105 VAL A CB 1
1251
+ ATOM 863 C CG1 . VAL A 1 105 ? 74.598 9.292 22.225 1.00 19.82 ? 105 VAL A CG1 1
1252
+ ATOM 864 C CG2 . VAL A 1 105 ? 75.991 8.229 20.385 1.00 19.54 ? 105 VAL A CG2 1
1253
+ ATOM 865 N N . HIS A 1 106 ? 77.337 11.596 19.434 1.00 21.67 ? 106 HIS A N 1
1254
+ ATOM 866 C CA . HIS A 1 106 ? 78.443 11.857 18.540 1.00 23.00 ? 106 HIS A CA 1
1255
+ ATOM 867 C C . HIS A 1 106 ? 79.741 11.365 19.148 1.00 24.41 ? 106 HIS A C 1
1256
+ ATOM 868 O O . HIS A 1 106 ? 80.268 11.939 20.104 1.00 24.18 ? 106 HIS A O 1
1257
+ ATOM 869 C CB . HIS A 1 106 ? 78.493 13.338 18.178 1.00 22.45 ? 106 HIS A CB 1
1258
+ ATOM 870 C CG . HIS A 1 106 ? 77.284 13.788 17.425 1.00 21.40 ? 106 HIS A CG 1
1259
+ ATOM 871 N ND1 . HIS A 1 106 ? 76.141 14.232 18.052 1.00 21.25 ? 106 HIS A ND1 1
1260
+ ATOM 872 C CD2 . HIS A 1 106 ? 77.011 13.784 16.104 1.00 18.91 ? 106 HIS A CD2 1
1261
+ ATOM 873 C CE1 . HIS A 1 106 ? 75.233 14.530 17.145 1.00 20.15 ? 106 HIS A CE1 1
1262
+ ATOM 874 N NE2 . HIS A 1 106 ? 75.734 14.263 15.954 1.00 21.57 ? 106 HIS A NE2 1
1263
+ ATOM 875 N N . GLU A 1 107 ? 80.228 10.276 18.577 1.00 25.96 ? 107 GLU A N 1
1264
+ ATOM 876 C CA . GLU A 1 107 ? 81.462 9.672 19.000 1.00 28.13 ? 107 GLU A CA 1
1265
+ ATOM 877 C C . GLU A 1 107 ? 82.670 10.492 18.519 1.00 29.24 ? 107 GLU A C 1
1266
+ ATOM 878 O O . GLU A 1 107 ? 82.671 11.038 17.403 1.00 28.72 ? 107 GLU A O 1
1267
+ ATOM 879 C CB . GLU A 1 107 ? 81.527 8.250 18.455 1.00 28.37 ? 107 GLU A CB 1
1268
+ ATOM 880 C CG . GLU A 1 107 ? 80.299 7.414 18.775 1.00 30.38 ? 107 GLU A CG 1
1269
+ ATOM 881 C CD . GLU A 1 107 ? 80.454 5.955 18.388 1.00 33.14 ? 107 GLU A CD 1
1270
+ ATOM 882 O OE1 . GLU A 1 107 ? 81.005 5.675 17.293 1.00 32.26 ? 107 GLU A OE1 1
1271
+ ATOM 883 O OE2 . GLU A 1 107 ? 80.009 5.087 19.181 1.00 35.01 ? 107 GLU A OE2 1
1272
+ ATOM 884 N N . GLU A 1 108 ? 83.686 10.584 19.373 1.00 30.64 ? 108 GLU A N 1
1273
+ ATOM 885 C CA . GLU A 1 108 ? 84.957 11.173 18.986 1.00 32.68 ? 108 GLU A CA 1
1274
+ ATOM 886 C C . GLU A 1 108 ? 85.490 10.479 17.730 1.00 32.88 ? 108 GLU A C 1
1275
+ ATOM 887 O O . GLU A 1 108 ? 85.522 9.245 17.662 1.00 32.65 ? 108 GLU A O 1
1276
+ ATOM 888 C CB . GLU A 1 108 ? 85.970 11.056 20.123 1.00 33.32 ? 108 GLU A CB 1
1277
+ ATOM 889 C CG . GLU A 1 108 ? 87.289 11.788 19.864 1.00 37.15 ? 108 GLU A CG 1
1278
+ ATOM 890 C CD . GLU A 1 108 ? 87.192 13.297 20.123 1.00 41.99 ? 108 GLU A CD 1
1279
+ ATOM 891 O OE1 . GLU A 1 108 ? 86.542 13.672 21.134 1.00 44.05 ? 108 GLU A OE1 1
1280
+ ATOM 892 O OE2 . GLU A 1 108 ? 87.772 14.096 19.331 1.00 42.48 ? 108 GLU A OE2 1
1281
+ ATOM 893 N N . PRO A 1 109 ? 85.876 11.280 16.739 1.00 33.23 ? 109 PRO A N 1
1282
+ ATOM 894 C CA . PRO A 1 109 ? 86.427 10.760 15.496 1.00 33.84 ? 109 PRO A CA 1
1283
+ ATOM 895 C C . PRO A 1 109 ? 87.883 10.341 15.678 1.00 34.44 ? 109 PRO A C 1
1284
+ ATOM 896 O O . PRO A 1 109 ? 88.655 10.395 14.717 1.00 35.31 ? 109 PRO A O 1
1285
+ ATOM 897 C CB . PRO A 1 109 ? 86.308 11.798 14.392 1.00 33.51 ? 109 PRO A CB 1
1286
+ ATOM 898 O OXT . PRO A 1 109 ? 88.343 9.951 16.762 1.00 34.32 ? 109 PRO A OXT 1
1287
+ #
1288
+ loop_
1289
+ _pdbx_audit_revision_history.ordinal
1290
+ _pdbx_audit_revision_history.data_content_type
1291
+ _pdbx_audit_revision_history.major_revision
1292
+ _pdbx_audit_revision_history.minor_revision
1293
+ _pdbx_audit_revision_history.revision_date
1294
+ 1 'Structure model' 1 0 2007-03-27
1295
+ 2 'Structure model' 1 1 2008-05-01
1296
+ 3 'Structure model' 1 2 2011-07-13
1297
+ 4 'Structure model' 1 3 2017-10-18
1298
+ #
mmcifs/2NSF_A.cif ADDED
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mmcifs/2NSZ_A.cif ADDED
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mmcifs/2NTK_A.cif ADDED
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mmcifs/2NTP_A.cif ADDED
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mmcifs/2NTX_A.cif ADDED
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mmcifs/2NUJ_A.cif ADDED
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mmcifs/2NUT_A.cif ADDED
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mmcifs/2NUT_C.cif ADDED
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mmcifs/2NVN_A.cif ADDED
@@ -0,0 +1,1416 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_2NVN_A
2
+ #
3
+ _pdbx_database_status.entry_id 2NVN_A
4
+ _pdbx_database_status.status_code .
5
+ _pdbx_database_status.status_code_sf ?
6
+ _pdbx_database_status.status_code_mr ?
7
+ _pdbx_database_status.status_code_cs ?
8
+ _pdbx_database_status.recvd_initial_deposition_date ?
9
+ _pdbx_database_status.status_code_nmr_data ?
10
+ _pdbx_database_status.deposit_site ?
11
+ _pdbx_database_status.process_site ?
12
+ _pdbx_database_status.SG_entry ?
13
+ _pdbx_database_status.pdb_format_compatible Y
14
+ _pdbx_database_status.methods_development_category ?
15
+ #
16
+ _entity_poly.entity_id 1
17
+ _entity_poly.type "polypeptide(L)"
18
+ _entity_poly.nstd_linkage no
19
+ _entity_poly.nstd_monomer no
20
+ _entity_poly.pdbx_seq_one_letter_code
21
+ ;MGRILREGAGWRLGWDETAHRYPGLVGTTDWAVELTAAEMADFCRLVQQLAETIAAIAPELMPEERLQIEAESALLWLEA
22
+ EGFADAYELRLILASDRRVEACWPAAAVPALVAATHTLKGF
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;MGRILREGAGWRLGWDETAHRYPGLVGTTDWAVELTAAEMADFCRLVQQLAETIAAIAPELMPEERLQIEAESALLWLEA
26
+ EGFADAYELRLILASDRRVEACWPAAAVPALVAATHTLKGF
27
+ ;
28
+ _entity_poly.pdbx_strand_id A
29
+ _entity_poly.pdbx_target_identifier ?
30
+ #
31
+ loop_
32
+ _entity_poly_seq.entity_id
33
+ _entity_poly_seq.num
34
+ _entity_poly_seq.mon_id
35
+ _entity_poly_seq.hetero
36
+ 1 1 MET n
37
+ 1 2 GLY n
38
+ 1 3 ARG n
39
+ 1 4 ILE n
40
+ 1 5 LEU n
41
+ 1 6 ARG n
42
+ 1 7 GLU n
43
+ 1 8 GLY n
44
+ 1 9 ALA n
45
+ 1 10 GLY n
46
+ 1 11 TRP n
47
+ 1 12 ARG n
48
+ 1 13 LEU n
49
+ 1 14 GLY n
50
+ 1 15 TRP n
51
+ 1 16 ASP n
52
+ 1 17 GLU n
53
+ 1 18 THR n
54
+ 1 19 ALA n
55
+ 1 20 HIS n
56
+ 1 21 ARG n
57
+ 1 22 TYR n
58
+ 1 23 PRO n
59
+ 1 24 GLY n
60
+ 1 25 LEU n
61
+ 1 26 VAL n
62
+ 1 27 GLY n
63
+ 1 28 THR n
64
+ 1 29 THR n
65
+ 1 30 ASP n
66
+ 1 31 TRP n
67
+ 1 32 ALA n
68
+ 1 33 VAL n
69
+ 1 34 GLU n
70
+ 1 35 LEU n
71
+ 1 36 THR n
72
+ 1 37 ALA n
73
+ 1 38 ALA n
74
+ 1 39 GLU n
75
+ 1 40 MET n
76
+ 1 41 ALA n
77
+ 1 42 ASP n
78
+ 1 43 PHE n
79
+ 1 44 CYS n
80
+ 1 45 ARG n
81
+ 1 46 LEU n
82
+ 1 47 VAL n
83
+ 1 48 GLN n
84
+ 1 49 GLN n
85
+ 1 50 LEU n
86
+ 1 51 ALA n
87
+ 1 52 GLU n
88
+ 1 53 THR n
89
+ 1 54 ILE n
90
+ 1 55 ALA n
91
+ 1 56 ALA n
92
+ 1 57 ILE n
93
+ 1 58 ALA n
94
+ 1 59 PRO n
95
+ 1 60 GLU n
96
+ 1 61 LEU n
97
+ 1 62 MET n
98
+ 1 63 PRO n
99
+ 1 64 GLU n
100
+ 1 65 GLU n
101
+ 1 66 ARG n
102
+ 1 67 LEU n
103
+ 1 68 GLN n
104
+ 1 69 ILE n
105
+ 1 70 GLU n
106
+ 1 71 ALA n
107
+ 1 72 GLU n
108
+ 1 73 SER n
109
+ 1 74 ALA n
110
+ 1 75 LEU n
111
+ 1 76 LEU n
112
+ 1 77 TRP n
113
+ 1 78 LEU n
114
+ 1 79 GLU n
115
+ 1 80 ALA n
116
+ 1 81 GLU n
117
+ 1 82 GLY n
118
+ 1 83 PHE n
119
+ 1 84 ALA n
120
+ 1 85 ASP n
121
+ 1 86 ALA n
122
+ 1 87 TYR n
123
+ 1 88 GLU n
124
+ 1 89 LEU n
125
+ 1 90 ARG n
126
+ 1 91 LEU n
127
+ 1 92 ILE n
128
+ 1 93 LEU n
129
+ 1 94 ALA n
130
+ 1 95 SER n
131
+ 1 96 ASP n
132
+ 1 97 ARG n
133
+ 1 98 ARG n
134
+ 1 99 VAL n
135
+ 1 100 GLU n
136
+ 1 101 ALA n
137
+ 1 102 CYS n
138
+ 1 103 TRP n
139
+ 1 104 PRO n
140
+ 1 105 ALA n
141
+ 1 106 ALA n
142
+ 1 107 ALA n
143
+ 1 108 VAL n
144
+ 1 109 PRO n
145
+ 1 110 ALA n
146
+ 1 111 LEU n
147
+ 1 112 VAL n
148
+ 1 113 ALA n
149
+ 1 114 ALA n
150
+ 1 115 THR n
151
+ 1 116 HIS n
152
+ 1 117 THR n
153
+ 1 118 LEU n
154
+ 1 119 LYS n
155
+ 1 120 GLY n
156
+ 1 121 PHE n
157
+ #
158
+ _entity.id 1
159
+ _entity.type polymer
160
+ _entity.src_method man
161
+ _entity.pdbx_description ?
162
+ _entity.formula_weight 13334.193
163
+ _entity.pdbx_number_of_molecules 1
164
+ _entity.pdbx_ec ?
165
+ _entity.pdbx_mutation ?
166
+ _entity.pdbx_fragment ?
167
+ _entity.details ?
168
+ #
169
+ loop_
170
+ _pdbx_poly_seq_scheme.asym_id
171
+ _pdbx_poly_seq_scheme.entity_id
172
+ _pdbx_poly_seq_scheme.seq_id
173
+ _pdbx_poly_seq_scheme.mon_id
174
+ _pdbx_poly_seq_scheme.ndb_seq_num
175
+ _pdbx_poly_seq_scheme.pdb_seq_num
176
+ _pdbx_poly_seq_scheme.auth_seq_num
177
+ _pdbx_poly_seq_scheme.pdb_mon_id
178
+ _pdbx_poly_seq_scheme.auth_mon_id
179
+ _pdbx_poly_seq_scheme.pdb_strand_id
180
+ _pdbx_poly_seq_scheme.pdb_ins_code
181
+ _pdbx_poly_seq_scheme.hetero
182
+ A 1 1 MET 1 1 1 MET MET A . n
183
+ A 1 2 GLY 2 2 2 GLY GLY A . n
184
+ A 1 3 ARG 3 3 3 ARG ARG A . n
185
+ A 1 4 ILE 4 4 4 ILE ILE A . n
186
+ A 1 5 LEU 5 5 5 LEU LEU A . n
187
+ A 1 6 ARG 6 6 6 ARG ARG A . n
188
+ A 1 7 GLU 7 7 7 GLU GLU A . n
189
+ A 1 8 GLY 8 8 8 GLY GLY A . n
190
+ A 1 9 ALA 9 9 9 ALA ALA A . n
191
+ A 1 10 GLY 10 10 10 GLY GLY A . n
192
+ A 1 11 TRP 11 11 11 TRP TRP A . n
193
+ A 1 12 ARG 12 12 12 ARG ARG A . n
194
+ A 1 13 LEU 13 13 13 LEU LEU A . n
195
+ A 1 14 GLY 14 14 14 GLY GLY A . n
196
+ A 1 15 TRP 15 15 15 TRP TRP A . n
197
+ A 1 16 ASP 16 16 16 ASP ASP A . n
198
+ A 1 17 GLU 17 17 17 GLU GLU A . n
199
+ A 1 18 THR 18 18 18 THR THR A . n
200
+ A 1 19 ALA 19 19 19 ALA ALA A . n
201
+ A 1 20 HIS 20 20 20 HIS HIS A . n
202
+ A 1 21 ARG 21 21 21 ARG ARG A . n
203
+ A 1 22 TYR 22 22 22 TYR TYR A . n
204
+ A 1 23 PRO 23 23 23 PRO PRO A . n
205
+ A 1 24 GLY 24 24 24 GLY GLY A . n
206
+ A 1 25 LEU 25 25 25 LEU LEU A . n
207
+ A 1 26 VAL 26 26 26 VAL VAL A . n
208
+ A 1 27 GLY 27 27 27 GLY GLY A . n
209
+ A 1 28 THR 28 28 28 THR THR A . n
210
+ A 1 29 THR 29 29 29 THR THR A . n
211
+ A 1 30 ASP 30 30 30 ASP ASP A . n
212
+ A 1 31 TRP 31 31 31 TRP TRP A . n
213
+ A 1 32 ALA 32 32 32 ALA ALA A . n
214
+ A 1 33 VAL 33 33 33 VAL VAL A . n
215
+ A 1 34 GLU 34 34 34 GLU GLU A . n
216
+ A 1 35 LEU 35 35 35 LEU LEU A . n
217
+ A 1 36 THR 36 36 36 THR THR A . n
218
+ A 1 37 ALA 37 37 37 ALA ALA A . n
219
+ A 1 38 ALA 38 38 38 ALA ALA A . n
220
+ A 1 39 GLU 39 39 39 GLU GLU A . n
221
+ A 1 40 MET 40 40 40 MET MET A . n
222
+ A 1 41 ALA 41 41 41 ALA ALA A . n
223
+ A 1 42 ASP 42 42 42 ASP ASP A . n
224
+ A 1 43 PHE 43 43 43 PHE PHE A . n
225
+ A 1 44 CYS 44 44 44 CYS CYS A . n
226
+ A 1 45 ARG 45 45 45 ARG ARG A . n
227
+ A 1 46 LEU 46 46 46 LEU LEU A . n
228
+ A 1 47 VAL 47 47 47 VAL VAL A . n
229
+ A 1 48 GLN 48 48 48 GLN GLN A . n
230
+ A 1 49 GLN 49 49 49 GLN GLN A . n
231
+ A 1 50 LEU 50 50 50 LEU LEU A . n
232
+ A 1 51 ALA 51 51 51 ALA ALA A . n
233
+ A 1 52 GLU 52 52 52 GLU GLU A . n
234
+ A 1 53 THR 53 53 53 THR THR A . n
235
+ A 1 54 ILE 54 54 54 ILE ILE A . n
236
+ A 1 55 ALA 55 55 55 ALA ALA A . n
237
+ A 1 56 ALA 56 56 56 ALA ALA A . n
238
+ A 1 57 ILE 57 57 57 ILE ILE A . n
239
+ A 1 58 ALA 58 58 58 ALA ALA A . n
240
+ A 1 59 PRO 59 59 59 PRO PRO A . n
241
+ A 1 60 GLU 60 60 60 GLU GLU A . n
242
+ A 1 61 LEU 61 61 61 LEU LEU A . n
243
+ A 1 62 MET 62 62 62 MET MET A . n
244
+ A 1 63 PRO 63 63 63 PRO PRO A . n
245
+ A 1 64 GLU 64 64 64 GLU GLU A . n
246
+ A 1 65 GLU 65 65 65 GLU GLU A . n
247
+ A 1 66 ARG 66 66 66 ARG ARG A . n
248
+ A 1 67 LEU 67 67 67 LEU LEU A . n
249
+ A 1 68 GLN 68 68 68 GLN GLN A . n
250
+ A 1 69 ILE 69 69 69 ILE ILE A . n
251
+ A 1 70 GLU 70 70 70 GLU GLU A . n
252
+ A 1 71 ALA 71 71 71 ALA ALA A . n
253
+ A 1 72 GLU 72 72 72 GLU GLU A . n
254
+ A 1 73 SER 73 73 73 SER SER A . n
255
+ A 1 74 ALA 74 74 74 ALA ALA A . n
256
+ A 1 75 LEU 75 75 75 LEU LEU A . n
257
+ A 1 76 LEU 76 76 76 LEU LEU A . n
258
+ A 1 77 TRP 77 77 77 TRP TRP A . n
259
+ A 1 78 LEU 78 78 78 LEU LEU A . n
260
+ A 1 79 GLU 79 79 79 GLU GLU A . n
261
+ A 1 80 ALA 80 80 80 ALA ALA A . n
262
+ A 1 81 GLU 81 81 81 GLU GLU A . n
263
+ A 1 82 GLY 82 82 82 GLY GLY A . n
264
+ A 1 83 PHE 83 83 83 PHE PHE A . n
265
+ A 1 84 ALA 84 84 84 ALA ALA A . n
266
+ A 1 85 ASP 85 85 85 ASP ASP A . n
267
+ A 1 86 ALA 86 86 86 ALA ALA A . n
268
+ A 1 87 TYR 87 87 87 TYR TYR A . n
269
+ A 1 88 GLU 88 88 88 GLU GLU A . n
270
+ A 1 89 LEU 89 89 89 LEU LEU A . n
271
+ A 1 90 ARG 90 90 90 ARG ARG A . n
272
+ A 1 91 LEU 91 91 91 LEU LEU A . n
273
+ A 1 92 ILE 92 92 92 ILE ILE A . n
274
+ A 1 93 LEU 93 93 93 LEU LEU A . n
275
+ A 1 94 ALA 94 94 94 ALA ALA A . n
276
+ A 1 95 SER 95 95 95 SER SER A . n
277
+ A 1 96 ASP 96 96 96 ASP ASP A . n
278
+ A 1 97 ARG 97 97 97 ARG ARG A . n
279
+ A 1 98 ARG 98 98 98 ARG ARG A . n
280
+ A 1 99 VAL 99 99 99 VAL VAL A . n
281
+ A 1 100 GLU 100 100 100 GLU GLU A . n
282
+ A 1 101 ALA 101 101 101 ALA ALA A . n
283
+ A 1 102 CYS 102 102 102 CYS CYS A . n
284
+ A 1 103 TRP 103 103 103 TRP TRP A . n
285
+ A 1 104 PRO 104 104 104 PRO PRO A . n
286
+ A 1 105 ALA 105 105 105 ALA ALA A . n
287
+ A 1 106 ALA 106 106 106 ALA ALA A . n
288
+ A 1 107 ALA 107 107 107 ALA ALA A . n
289
+ A 1 108 VAL 108 108 108 VAL VAL A . n
290
+ A 1 109 PRO 109 109 109 PRO PRO A . n
291
+ A 1 110 ALA 110 110 110 ALA ALA A . n
292
+ A 1 111 LEU 111 111 111 LEU LEU A . n
293
+ A 1 112 VAL 112 112 112 VAL VAL A . n
294
+ A 1 113 ALA 113 113 113 ALA ALA A . n
295
+ A 1 114 ALA 114 114 114 ALA ALA A . n
296
+ A 1 115 THR 115 115 115 THR THR A . n
297
+ A 1 116 HIS 116 116 116 HIS HIS A . n
298
+ A 1 117 THR 117 117 117 THR THR A . n
299
+ A 1 118 LEU 118 118 118 LEU LEU A . n
300
+ A 1 119 LYS 119 119 119 LYS LYS A . n
301
+ A 1 120 GLY 120 120 120 GLY GLY A . n
302
+ A 1 121 PHE 121 121 121 PHE PHE A . n
303
+ #
304
+ loop_
305
+ _chem_comp.id
306
+ _chem_comp.type
307
+ _chem_comp.mon_nstd_flag
308
+ _chem_comp.name
309
+ _chem_comp.pdbx_synonyms
310
+ _chem_comp.formula
311
+ _chem_comp.formula_weight
312
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
313
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
314
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
315
+ CYS "L-peptide linking" y CYSTEINE ? "C3 H7 N O2 S" 121.158
316
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
317
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
318
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
319
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
320
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
321
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
322
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
323
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
324
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
325
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
326
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
327
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
328
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
329
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
330
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
331
+ #
332
+ _struct_asym.id A
333
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
334
+ _struct_asym.pdbx_modified N
335
+ _struct_asym.entity_id 1
336
+ _struct_asym.details ?
337
+ #
338
+ _atom_sites.entry_id 2NVN_A
339
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
340
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
341
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
342
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
343
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
344
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
345
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
346
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
347
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
348
+ _atom_sites.fract_transf_vector[1] 0.00000
349
+ _atom_sites.fract_transf_vector[2] 0.00000
350
+ _atom_sites.fract_transf_vector[3] 0.00000
351
+ #
352
+ loop_
353
+ _pdbx_validate_rmsd_bond.id
354
+ _pdbx_validate_rmsd_bond.PDB_model_num
355
+ _pdbx_validate_rmsd_bond.auth_atom_id_1
356
+ _pdbx_validate_rmsd_bond.auth_asym_id_1
357
+ _pdbx_validate_rmsd_bond.auth_comp_id_1
358
+ _pdbx_validate_rmsd_bond.auth_seq_id_1
359
+ _pdbx_validate_rmsd_bond.PDB_ins_code_1
360
+ _pdbx_validate_rmsd_bond.label_alt_id_1
361
+ _pdbx_validate_rmsd_bond.auth_atom_id_2
362
+ _pdbx_validate_rmsd_bond.auth_asym_id_2
363
+ _pdbx_validate_rmsd_bond.auth_comp_id_2
364
+ _pdbx_validate_rmsd_bond.auth_seq_id_2
365
+ _pdbx_validate_rmsd_bond.PDB_ins_code_2
366
+ _pdbx_validate_rmsd_bond.label_alt_id_2
367
+ _pdbx_validate_rmsd_bond.bond_value
368
+ _pdbx_validate_rmsd_bond.bond_target_value
369
+ _pdbx_validate_rmsd_bond.bond_deviation
370
+ _pdbx_validate_rmsd_bond.bond_standard_deviation
371
+ _pdbx_validate_rmsd_bond.linker_flag
372
+ 1 1 CG A MET 1 ? ? SD A MET 1 ? ? 2.010 1.807 0.203 0.026 N
373
+ 2 1 CG A MET 40 ? ? SD A MET 40 ? ? 1.987 1.807 0.180 0.026 N
374
+ #
375
+ loop_
376
+ _pdbx_validate_rmsd_angle.id
377
+ _pdbx_validate_rmsd_angle.PDB_model_num
378
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
379
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
380
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
381
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
382
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
383
+ _pdbx_validate_rmsd_angle.label_alt_id_1
384
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
385
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
386
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
387
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
388
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
389
+ _pdbx_validate_rmsd_angle.label_alt_id_2
390
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
391
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
392
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
393
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
394
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
395
+ _pdbx_validate_rmsd_angle.label_alt_id_3
396
+ _pdbx_validate_rmsd_angle.angle_value
397
+ _pdbx_validate_rmsd_angle.angle_target_value
398
+ _pdbx_validate_rmsd_angle.angle_deviation
399
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
400
+ _pdbx_validate_rmsd_angle.linker_flag
401
+ 1 1 NE A ARG 21 ? ? CZ A ARG 21 ? ? NH1 A ARG 21 ? ? 123.31 120.30 3.01 0.50 N
402
+ 2 1 NE A ARG 97 ? ? CZ A ARG 97 ? ? NH1 A ARG 97 ? ? 124.80 120.30 4.50 0.50 N
403
+ 3 1 NE A ARG 97 ? ? CZ A ARG 97 ? ? NH2 A ARG 97 ? ? 116.15 120.30 -4.15 0.50 N
404
+ #
405
+ loop_
406
+ _pdbx_validate_torsion.id
407
+ _pdbx_validate_torsion.PDB_model_num
408
+ _pdbx_validate_torsion.auth_comp_id
409
+ _pdbx_validate_torsion.auth_asym_id
410
+ _pdbx_validate_torsion.auth_seq_id
411
+ _pdbx_validate_torsion.PDB_ins_code
412
+ _pdbx_validate_torsion.label_alt_id
413
+ _pdbx_validate_torsion.phi
414
+ _pdbx_validate_torsion.psi
415
+ 1 1 ALA A 86 ? ? -168.13 94.68
416
+ 2 1 ASP A 96 ? ? 49.08 -131.69
417
+ 3 1 LEU A 118 ? ? -101.67 75.22
418
+ #
419
+ loop_
420
+ _pdbx_unobs_or_zero_occ_atoms.id
421
+ _pdbx_unobs_or_zero_occ_atoms.PDB_model_num
422
+ _pdbx_unobs_or_zero_occ_atoms.polymer_flag
423
+ _pdbx_unobs_or_zero_occ_atoms.occupancy_flag
424
+ _pdbx_unobs_or_zero_occ_atoms.auth_asym_id
425
+ _pdbx_unobs_or_zero_occ_atoms.auth_comp_id
426
+ _pdbx_unobs_or_zero_occ_atoms.auth_seq_id
427
+ _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
428
+ _pdbx_unobs_or_zero_occ_atoms.auth_atom_id
429
+ _pdbx_unobs_or_zero_occ_atoms.label_alt_id
430
+ _pdbx_unobs_or_zero_occ_atoms.label_asym_id
431
+ _pdbx_unobs_or_zero_occ_atoms.label_comp_id
432
+ _pdbx_unobs_or_zero_occ_atoms.label_seq_id
433
+ _pdbx_unobs_or_zero_occ_atoms.label_atom_id
434
+ 1 1 Y 1 A HIS 20 ? CG ? A HIS 20 CG
435
+ 2 1 Y 1 A HIS 20 ? ND1 ? A HIS 20 ND1
436
+ 3 1 Y 1 A HIS 20 ? CD2 ? A HIS 20 CD2
437
+ 4 1 Y 1 A HIS 20 ? CE1 ? A HIS 20 CE1
438
+ 5 1 Y 1 A HIS 20 ? NE2 ? A HIS 20 NE2
439
+ 6 1 Y 1 A LYS 119 ? CD ? A LYS 119 CD
440
+ 7 1 Y 1 A LYS 119 ? CE ? A LYS 119 CE
441
+ 8 1 Y 1 A LYS 119 ? NZ ? A LYS 119 NZ
442
+ #
443
+ loop_
444
+ _atom_type.symbol
445
+ C
446
+ N
447
+ O
448
+ S
449
+ #
450
+ _entry.id 2NVN_A
451
+ #
452
+ loop_
453
+ _atom_site.group_PDB
454
+ _atom_site.id
455
+ _atom_site.type_symbol
456
+ _atom_site.label_atom_id
457
+ _atom_site.label_alt_id
458
+ _atom_site.label_comp_id
459
+ _atom_site.label_asym_id
460
+ _atom_site.label_entity_id
461
+ _atom_site.label_seq_id
462
+ _atom_site.pdbx_PDB_ins_code
463
+ _atom_site.Cartn_x
464
+ _atom_site.Cartn_y
465
+ _atom_site.Cartn_z
466
+ _atom_site.occupancy
467
+ _atom_site.B_iso_or_equiv
468
+ _atom_site.pdbx_formal_charge
469
+ _atom_site.auth_seq_id
470
+ _atom_site.auth_comp_id
471
+ _atom_site.auth_asym_id
472
+ _atom_site.auth_atom_id
473
+ _atom_site.pdbx_PDB_model_num
474
+ ATOM 1 N N . MET A 1 1 ? 13.563 8.730 15.592 1.00 49.84 ? 1 MET A N 1
475
+ ATOM 2 C CA . MET A 1 1 ? 14.669 9.295 16.473 1.00 51.12 ? 1 MET A CA 1
476
+ ATOM 3 C C . MET A 1 1 ? 15.066 8.396 17.644 1.00 48.92 ? 1 MET A C 1
477
+ ATOM 4 O O . MET A 1 1 ? 14.326 8.282 18.620 1.00 48.94 ? 1 MET A O 1
478
+ ATOM 5 C CB . MET A 1 1 ? 14.366 10.711 16.991 1.00 50.74 ? 1 MET A CB 1
479
+ ATOM 6 C CG . MET A 1 1 ? 13.034 10.952 17.744 1.00 52.42 ? 1 MET A CG 1
480
+ ATOM 7 S SD . MET A 1 1 ? 12.900 12.845 18.406 0.75 56.96 ? 1 MET A SD 1
481
+ ATOM 8 C CE . MET A 1 1 ? 13.635 13.662 16.688 1.00 55.29 ? 1 MET A CE 1
482
+ ATOM 9 N N . GLY A 1 2 ? 16.256 7.793 17.529 1.00 47.10 ? 2 GLY A N 1
483
+ ATOM 10 C CA . GLY A 1 2 ? 16.749 6.764 18.442 1.00 45.44 ? 2 GLY A CA 1
484
+ ATOM 11 C C . GLY A 1 2 ? 17.266 7.229 19.793 1.00 43.85 ? 2 GLY A C 1
485
+ ATOM 12 O O . GLY A 1 2 ? 16.467 7.606 20.657 1.00 43.47 ? 2 GLY A O 1
486
+ ATOM 13 N N . ARG A 1 3 ? 18.593 7.205 19.961 1.00 41.89 ? 3 ARG A N 1
487
+ ATOM 14 C CA . ARG A 1 3 ? 19.258 7.492 21.237 1.00 40.56 ? 3 ARG A CA 1
488
+ ATOM 15 C C . ARG A 1 3 ? 20.283 8.630 21.140 1.00 39.56 ? 3 ARG A C 1
489
+ ATOM 16 O O . ARG A 1 3 ? 21.419 8.406 20.718 1.00 39.37 ? 3 ARG A O 1
490
+ ATOM 17 C CB . ARG A 1 3 ? 19.910 6.209 21.740 1.00 40.15 ? 3 ARG A CB 1
491
+ ATOM 18 C CG . ARG A 1 3 ? 20.451 6.316 23.121 1.00 38.16 ? 3 ARG A CG 1
492
+ ATOM 19 C CD . ARG A 1 3 ? 20.856 4.974 23.630 1.00 37.32 ? 3 ARG A CD 1
493
+ ATOM 20 N NE . ARG A 1 3 ? 21.077 4.991 25.076 1.00 36.15 ? 3 ARG A NE 1
494
+ ATOM 21 C CZ . ARG A 1 3 ? 22.160 5.456 25.703 1.00 35.89 ? 3 ARG A CZ 1
495
+ ATOM 22 N NH1 . ARG A 1 3 ? 23.181 5.973 25.018 1.00 34.75 ? 3 ARG A NH1 1
496
+ ATOM 23 N NH2 . ARG A 1 3 ? 22.219 5.402 27.046 1.00 36.56 ? 3 ARG A NH2 1
497
+ ATOM 24 N N . ILE A 1 4 ? 19.888 9.837 21.539 1.00 38.34 ? 4 ILE A N 1
498
+ ATOM 25 C CA . ILE A 1 4 ? 20.789 10.994 21.476 1.00 37.80 ? 4 ILE A CA 1
499
+ ATOM 26 C C . ILE A 1 4 ? 20.966 11.601 22.843 1.00 36.85 ? 4 ILE A C 1
500
+ ATOM 27 O O . ILE A 1 4 ? 19.981 11.765 23.525 1.00 36.56 ? 4 ILE A O 1
501
+ ATOM 28 C CB . ILE A 1 4 ? 20.271 12.133 20.563 1.00 37.99 ? 4 ILE A CB 1
502
+ ATOM 29 C CG1 . ILE A 1 4 ? 19.611 11.597 19.286 1.00 37.79 ? 4 ILE A CG1 1
503
+ ATOM 30 C CG2 . ILE A 1 4 ? 21.428 13.104 20.243 1.00 38.60 ? 4 ILE A CG2 1
504
+ ATOM 31 C CD1 . ILE A 1 4 ? 18.130 11.311 19.457 1.00 38.25 ? 4 ILE A CD1 1
505
+ ATOM 32 N N . LEU A 1 5 ? 22.219 11.849 23.247 1.00 36.25 ? 5 LEU A N 1
506
+ ATOM 33 C CA . LEU A 1 5 ? 22.559 12.748 24.356 1.00 35.79 ? 5 LEU A CA 1
507
+ ATOM 34 C C . LEU A 1 5 ? 23.198 13.996 23.685 1.00 35.46 ? 5 LEU A C 1
508
+ ATOM 35 O O . LEU A 1 5 ? 24.078 13.872 22.842 1.00 35.25 ? 5 LEU A O 1
509
+ ATOM 36 C CB . LEU A 1 5 ? 23.482 12.111 25.440 1.00 35.68 ? 5 LEU A CB 1
510
+ ATOM 37 C CG . LEU A 1 5 ? 23.775 12.947 26.770 1.00 36.66 ? 5 LEU A CG 1
511
+ ATOM 38 C CD1 . LEU A 1 5 ? 22.541 13.434 27.599 1.00 32.75 ? 5 LEU A CD1 1
512
+ ATOM 39 C CD2 . LEU A 1 5 ? 24.757 12.238 27.753 1.00 36.17 ? 5 LEU A CD2 1
513
+ ATOM 40 N N . ARG A 1 6 ? 22.667 15.178 23.998 1.00 35.10 ? 6 ARG A N 1
514
+ ATOM 41 C CA . ARG A 1 6 ? 23.263 16.467 23.637 1.00 34.98 ? 6 ARG A CA 1
515
+ ATOM 42 C C . ARG A 1 6 ? 23.769 17.053 24.945 1.00 34.38 ? 6 ARG A C 1
516
+ ATOM 43 O O . ARG A 1 6 ? 23.110 16.901 25.985 1.00 33.73 ? 6 ARG A O 1
517
+ ATOM 44 C CB . ARG A 1 6 ? 22.224 17.459 23.121 1.00 35.02 ? 6 ARG A CB 1
518
+ ATOM 45 C CG . ARG A 1 6 ? 21.390 17.004 21.992 1.00 36.48 ? 6 ARG A CG 1
519
+ ATOM 46 C CD . ARG A 1 6 ? 21.916 17.404 20.639 1.00 38.15 ? 6 ARG A CD 1
520
+ ATOM 47 N NE . ARG A 1 6 ? 21.420 16.439 19.671 1.00 40.14 ? 6 ARG A NE 1
521
+ ATOM 48 C CZ . ARG A 1 6 ? 21.674 16.437 18.364 1.00 41.04 ? 6 ARG A CZ 1
522
+ ATOM 49 N NH1 . ARG A 1 6 ? 22.382 17.408 17.764 1.00 42.59 ? 6 ARG A NH1 1
523
+ ATOM 50 N NH2 . ARG A 1 6 ? 21.168 15.449 17.633 1.00 40.30 ? 6 ARG A NH2 1
524
+ ATOM 51 N N . GLU A 1 7 ? 24.907 17.730 24.890 1.00 33.99 ? 7 GLU A N 1
525
+ ATOM 52 C CA . GLU A 1 7 ? 25.413 18.444 26.038 1.00 34.85 ? 7 GLU A CA 1
526
+ ATOM 53 C C . GLU A 1 7 ? 26.345 19.563 25.669 1.00 33.84 ? 7 GLU A C 1
527
+ ATOM 54 O O . GLU A 1 7 ? 26.977 19.526 24.619 1.00 34.03 ? 7 GLU A O 1
528
+ ATOM 55 C CB . GLU A 1 7 ? 26.062 17.499 27.060 1.00 34.96 ? 7 GLU A CB 1
529
+ ATOM 56 C CG . GLU A 1 7 ? 27.254 16.701 26.607 1.00 36.41 ? 7 GLU A CG 1
530
+ ATOM 57 C CD . GLU A 1 7 ? 27.685 15.623 27.657 1.00 37.26 ? 7 GLU A CD 1
531
+ ATOM 58 O OE1 . GLU A 1 7 ? 27.181 15.624 28.824 1.00 38.65 ? 7 GLU A OE1 1
532
+ ATOM 59 O OE2 . GLU A 1 7 ? 28.552 14.776 27.300 1.00 40.69 ? 7 GLU A OE2 1
533
+ ATOM 60 N N . GLY A 1 8 ? 26.384 20.568 26.547 1.00 32.79 ? 8 GLY A N 1
534
+ ATOM 61 C CA . GLY A 1 8 ? 27.213 21.759 26.389 1.00 31.86 ? 8 GLY A CA 1
535
+ ATOM 62 C C . GLY A 1 8 ? 27.561 22.360 27.731 1.00 31.37 ? 8 GLY A C 1
536
+ ATOM 63 O O . GLY A 1 8 ? 27.371 21.729 28.772 1.00 31.95 ? 8 GLY A O 1
537
+ ATOM 64 N N . ALA A 1 9 ? 28.059 23.584 27.705 1.00 30.67 ? 9 ALA A N 1
538
+ ATOM 65 C CA . ALA A 1 9 ? 28.533 24.255 28.900 1.00 30.54 ? 9 ALA A CA 1
539
+ ATOM 66 C C . ALA A 1 9 ? 27.342 24.533 29.847 1.00 30.50 ? 9 ALA A C 1
540
+ ATOM 67 O O . ALA A 1 9 ? 26.555 25.448 29.608 1.00 31.23 ? 9 ALA A O 1
541
+ ATOM 68 C CB . ALA A 1 9 ? 29.247 25.535 28.502 1.00 29.84 ? 9 ALA A CB 1
542
+ ATOM 69 N N . GLY A 1 10 ? 27.180 23.701 30.871 1.00 29.88 ? 10 GLY A N 1
543
+ ATOM 70 C CA . GLY A 1 10 ? 26.090 23.860 31.824 1.00 30.03 ? 10 GLY A CA 1
544
+ ATOM 71 C C . GLY A 1 10 ? 24.739 23.252 31.484 1.00 30.12 ? 10 GLY A C 1
545
+ ATOM 72 O O . GLY A 1 10 ? 23.752 23.602 32.118 1.00 30.93 ? 10 GLY A O 1
546
+ ATOM 73 N N . TRP A 1 11 ? 24.658 22.342 30.516 1.00 29.89 ? 11 TRP A N 1
547
+ ATOM 74 C CA . TRP A 1 11 ? 23.368 21.725 30.180 1.00 29.37 ? 11 TRP A CA 1
548
+ ATOM 75 C C . TRP A 1 11 ? 23.506 20.377 29.501 1.00 29.35 ? 11 TRP A C 1
549
+ ATOM 76 O O . TRP A 1 11 ? 24.544 20.085 28.920 1.00 30.03 ? 11 TRP A O 1
550
+ ATOM 77 C CB . TRP A 1 11 ? 22.514 22.648 29.304 1.00 28.92 ? 11 TRP A CB 1
551
+ ATOM 78 C CG . TRP A 1 11 ? 23.132 22.873 27.998 1.00 28.29 ? 11 TRP A CG 1
552
+ ATOM 79 C CD1 . TRP A 1 11 ? 24.027 23.826 27.696 1.00 28.01 ? 11 TRP A CD1 1
553
+ ATOM 80 C CD2 . TRP A 1 11 ? 22.941 22.095 26.818 1.00 28.04 ? 11 TRP A CD2 1
554
+ ATOM 81 N NE1 . TRP A 1 11 ? 24.432 23.700 26.394 1.00 29.45 ? 11 TRP A NE1 1
555
+ ATOM 82 C CE2 . TRP A 1 11 ? 23.771 22.647 25.821 1.00 29.42 ? 11 TRP A CE2 1
556
+ ATOM 83 C CE3 . TRP A 1 11 ? 22.148 20.979 26.503 1.00 28.31 ? 11 TRP A CE3 1
557
+ ATOM 84 C CZ2 . TRP A 1 11 ? 23.836 22.127 24.508 1.00 28.51 ? 11 TRP A CZ2 1
558
+ ATOM 85 C CZ3 . TRP A 1 11 ? 22.209 20.452 25.220 1.00 28.77 ? 11 TRP A CZ3 1
559
+ ATOM 86 C CH2 . TRP A 1 11 ? 23.055 21.030 24.226 1.00 28.11 ? 11 TRP A CH2 1
560
+ ATOM 87 N N . ARG A 1 12 ? 22.428 19.600 29.568 1.00 29.44 ? 12 ARG A N 1
561
+ ATOM 88 C CA . ARG A 1 12 ? 22.285 18.283 28.951 1.00 30.15 ? 12 ARG A CA 1
562
+ ATOM 89 C C . ARG A 1 12 ? 20.836 18.062 28.560 1.00 29.70 ? 12 ARG A C 1
563
+ ATOM 90 O O . ARG A 1 12 ? 19.938 18.393 29.319 1.00 29.18 ? 12 ARG A O 1
564
+ ATOM 91 C CB . ARG A 1 12 ? 22.586 17.169 29.941 1.00 30.49 ? 12 ARG A CB 1
565
+ ATOM 92 C CG . ARG A 1 12 ? 24.018 16.913 30.189 1.00 31.83 ? 12 ARG A CG 1
566
+ ATOM 93 C CD . ARG A 1 12 ? 24.174 15.810 31.202 1.00 32.46 ? 12 ARG A CD 1
567
+ ATOM 94 N NE . ARG A 1 12 ? 23.995 16.281 32.586 1.00 34.29 ? 12 ARG A NE 1
568
+ ATOM 95 C CZ . ARG A 1 12 ? 24.128 15.520 33.669 1.00 32.46 ? 12 ARG A CZ 1
569
+ ATOM 96 N NH1 . ARG A 1 12 ? 24.362 14.232 33.554 1.00 29.68 ? 12 ARG A NH1 1
570
+ ATOM 97 N NH2 . ARG A 1 12 ? 23.964 16.040 34.885 1.00 34.89 ? 12 ARG A NH2 1
571
+ ATOM 98 N N . LEU A 1 13 ? 20.624 17.458 27.405 1.00 29.88 ? 13 LEU A N 1
572
+ ATOM 99 C CA . LEU A 1 13 ? 19.297 17.056 26.969 1.00 29.97 ? 13 LEU A CA 1
573
+ ATOM 100 C C . LEU A 1 13 ? 19.498 15.695 26.317 1.00 29.92 ? 13 LEU A C 1
574
+ ATOM 101 O O . LEU A 1 13 ? 20.351 15.564 25.430 1.00 30.49 ? 13 LEU A O 1
575
+ ATOM 102 C CB . LEU A 1 13 ? 18.723 18.068 25.985 1.00 29.96 ? 13 LEU A CB 1
576
+ ATOM 103 C CG . LEU A 1 13 ? 17.243 17.917 25.596 1.00 30.09 ? 13 LEU A CG 1
577
+ ATOM 104 C CD1 . LEU A 1 13 ? 16.357 18.388 26.689 1.00 32.29 ? 13 LEU A CD1 1
578
+ ATOM 105 C CD2 . LEU A 1 13 ? 16.929 18.744 24.388 1.00 31.00 ? 13 LEU A CD2 1
579
+ ATOM 106 N N . GLY A 1 14 ? 18.759 14.688 26.772 1.00 29.70 ? 14 GLY A N 1
580
+ ATOM 107 C CA . GLY A 1 14 ? 18.860 13.330 26.236 1.00 29.50 ? 14 GLY A CA 1
581
+ ATOM 108 C C . GLY A 1 14 ? 17.523 12.693 25.915 1.00 29.49 ? 14 GLY A C 1
582
+ ATOM 109 O O . GLY A 1 14 ? 16.503 13.046 26.498 1.00 29.32 ? 14 GLY A O 1
583
+ ATOM 110 N N . TRP A 1 15 ? 17.557 11.733 24.996 1.00 30.04 ? 15 TRP A N 1
584
+ ATOM 111 C CA . TRP A 1 15 ? 16.374 11.006 24.542 1.00 30.72 ? 15 TRP A CA 1
585
+ ATOM 112 C C . TRP A 1 15 ? 16.762 9.578 24.155 1.00 30.93 ? 15 TRP A C 1
586
+ ATOM 113 O O . TRP A 1 15 ? 17.697 9.389 23.361 1.00 30.77 ? 15 TRP A O 1
587
+ ATOM 114 C CB . TRP A 1 15 ? 15.748 11.716 23.347 1.00 30.93 ? 15 TRP A CB 1
588
+ ATOM 115 C CG . TRP A 1 15 ? 14.536 11.026 22.836 1.00 31.23 ? 15 TRP A CG 1
589
+ ATOM 116 C CD1 . TRP A 1 15 ? 14.457 10.218 21.735 1.00 31.29 ? 15 TRP A CD1 1
590
+ ATOM 117 C CD2 . TRP A 1 15 ? 13.235 11.025 23.434 1.00 31.46 ? 15 TRP A CD2 1
591
+ ATOM 118 N NE1 . TRP A 1 15 ? 13.184 9.725 21.600 1.00 31.42 ? 15 TRP A NE1 1
592
+ ATOM 119 C CE2 . TRP A 1 15 ? 12.406 10.202 22.624 1.00 31.37 ? 15 TRP A CE2 1
593
+ ATOM 120 C CE3 . TRP A 1 15 ? 12.680 11.649 24.566 1.00 30.61 ? 15 TRP A CE3 1
594
+ ATOM 121 C CZ2 . TRP A 1 15 ? 11.047 9.984 22.911 1.00 30.54 ? 15 TRP A CZ2 1
595
+ ATOM 122 C CZ3 . TRP A 1 15 ? 11.324 11.437 24.854 1.00 30.71 ? 15 TRP A CZ3 1
596
+ ATOM 123 C CH2 . TRP A 1 15 ? 10.525 10.602 24.026 1.00 31.26 ? 15 TRP A CH2 1
597
+ ATOM 124 N N . ASP A 1 16 ? 16.033 8.605 24.717 1.00 31.65 ? 16 ASP A N 1
598
+ ATOM 125 C CA . ASP A 1 16 ? 16.210 7.165 24.456 1.00 32.06 ? 16 ASP A CA 1
599
+ ATOM 126 C C . ASP A 1 16 ? 14.865 6.531 24.068 1.00 32.41 ? 16 ASP A C 1
600
+ ATOM 127 O O . ASP A 1 16 ? 14.062 6.230 24.953 1.00 32.77 ? 16 ASP A O 1
601
+ ATOM 128 C CB . ASP A 1 16 ? 16.780 6.503 25.729 1.00 32.32 ? 16 ASP A CB 1
602
+ ATOM 129 C CG . ASP A 1 16 ? 17.041 4.991 25.576 1.00 32.35 ? 16 ASP A CG 1
603
+ ATOM 130 O OD1 . ASP A 1 16 ? 16.935 4.418 24.461 1.00 30.83 ? 16 ASP A OD1 1
604
+ ATOM 131 O OD2 . ASP A 1 16 ? 17.376 4.381 26.618 1.00 34.66 ? 16 ASP A OD2 1
605
+ ATOM 132 N N . GLU A 1 17 ? 14.638 6.297 22.768 1.00 32.50 ? 17 GLU A N 1
606
+ ATOM 133 C CA . GLU A 1 17 ? 13.377 5.695 22.293 1.00 32.83 ? 17 GLU A CA 1
607
+ ATOM 134 C C . GLU A 1 17 ? 13.060 4.362 22.963 1.00 32.65 ? 17 GLU A C 1
608
+ ATOM 135 O O . GLU A 1 17 ? 11.896 4.068 23.202 1.00 32.83 ? 17 GLU A O 1
609
+ ATOM 136 C CB . GLU A 1 17 ? 13.325 5.533 20.743 1.00 32.90 ? 17 GLU A CB 1
610
+ ATOM 137 C CG . GLU A 1 17 ? 14.218 4.419 20.116 1.00 33.90 ? 17 GLU A CG 1
611
+ ATOM 138 C CD . GLU A 1 17 ? 13.994 4.212 18.607 1.00 34.09 ? 17 GLU A CD 1
612
+ ATOM 139 O OE1 . GLU A 1 17 ? 13.739 5.210 17.889 1.00 36.95 ? 17 GLU A OE1 1
613
+ ATOM 140 O OE2 . GLU A 1 17 ? 14.091 3.047 18.136 1.00 35.53 ? 17 GLU A OE2 1
614
+ ATOM 141 N N . THR A 1 18 ? 14.103 3.586 23.271 1.00 32.53 ? 18 THR A N 1
615
+ ATOM 142 C CA . THR A 1 18 ? 13.952 2.243 23.847 1.00 32.26 ? 18 THR A CA 1
616
+ ATOM 143 C C . THR A 1 18 ? 13.405 2.230 25.294 1.00 32.18 ? 18 THR A C 1
617
+ ATOM 144 O O . THR A 1 18 ? 12.831 1.233 25.697 1.00 32.20 ? 18 THR A O 1
618
+ ATOM 145 C CB . THR A 1 18 ? 15.287 1.387 23.763 1.00 32.18 ? 18 THR A CB 1
619
+ ATOM 146 O OG1 . THR A 1 18 ? 16.231 1.816 24.765 1.00 32.29 ? 18 THR A OG1 1
620
+ ATOM 147 C CG2 . THR A 1 18 ? 15.925 1.454 22.354 1.00 30.56 ? 18 THR A CG2 1
621
+ ATOM 148 N N . ALA A 1 19 ? 13.542 3.325 26.047 1.00 32.21 ? 19 ALA A N 1
622
+ ATOM 149 C CA . ALA A 1 19 ? 13.116 3.359 27.472 1.00 32.43 ? 19 ALA A CA 1
623
+ ATOM 150 C C . ALA A 1 19 ? 11.593 3.212 27.642 1.00 32.48 ? 19 ALA A C 1
624
+ ATOM 151 O O . ALA A 1 19 ? 10.820 3.959 27.014 1.00 32.22 ? 19 ALA A O 1
625
+ ATOM 152 C CB . ALA A 1 19 ? 13.616 4.624 28.174 1.00 31.62 ? 19 ALA A CB 1
626
+ ATOM 153 N N . HIS A 1 20 ? 11.186 2.257 28.496 1.00 32.96 ? 20 HIS A N 1
627
+ ATOM 154 C CA . HIS A 1 20 ? 9.759 1.863 28.641 1.00 33.17 ? 20 HIS A CA 1
628
+ ATOM 155 C C . HIS A 1 20 ? 8.871 2.957 29.305 1.00 33.31 ? 20 HIS A C 1
629
+ ATOM 156 O O . HIS A 1 20 ? 7.694 3.070 28.900 1.00 34.30 ? 20 HIS A O 1
630
+ ATOM 157 C CB . HIS A 1 20 ? 9.579 0.455 29.300 1.00 32.98 ? 20 HIS A CB 1
631
+ ATOM 158 N N . ARG A 1 21 ? 9.425 3.750 30.253 1.00 32.75 ? 21 ARG A N 1
632
+ ATOM 159 C CA . ARG A 1 21 ? 8.697 4.761 31.062 0.50 32.25 ? 21 ARG A CA 1
633
+ ATOM 160 C C . ARG A 1 21 ? 9.316 6.184 31.087 1.00 32.30 ? 21 ARG A C 1
634
+ ATOM 161 O O . ARG A 1 21 ? 8.597 7.188 31.134 1.00 32.18 ? 21 ARG A O 1
635
+ ATOM 162 C CB . ARG A 1 21 ? 8.608 4.212 32.507 0.50 32.29 ? 21 ARG A CB 1
636
+ ATOM 163 C CG . ARG A 1 21 ? 7.773 5.038 33.506 0.50 32.25 ? 21 ARG A CG 1
637
+ ATOM 164 C CD . ARG A 1 21 ? 7.142 4.186 34.646 0.50 30.72 ? 21 ARG A CD 1
638
+ ATOM 165 N NE . ARG A 1 21 ? 8.103 3.482 35.513 0.50 29.41 ? 21 ARG A NE 1
639
+ ATOM 166 C CZ . ARG A 1 21 ? 8.390 3.740 36.800 0.50 27.85 ? 21 ARG A CZ 1
640
+ ATOM 167 N NH1 . ARG A 1 21 ? 7.817 4.729 37.497 0.50 26.81 ? 21 ARG A NH1 1
641
+ ATOM 168 N NH2 . ARG A 1 21 ? 9.283 2.966 37.413 0.50 27.26 ? 21 ARG A NH2 1
642
+ ATOM 169 N N . TYR A 1 22 ? 10.659 6.250 31.147 1.00 32.02 ? 22 TYR A N 1
643
+ ATOM 170 C CA . TYR A 1 22 ? 11.407 7.529 31.275 1.00 31.74 ? 22 TYR A CA 1
644
+ ATOM 171 C C . TYR A 1 22 ? 12.446 7.732 30.149 1.00 31.33 ? 22 TYR A C 1
645
+ ATOM 172 O O . TYR A 1 22 ? 13.656 7.706 30.386 1.00 31.33 ? 22 TYR A O 1
646
+ ATOM 173 C CB . TYR A 1 22 ? 12.049 7.665 32.675 1.00 31.87 ? 22 TYR A CB 1
647
+ ATOM 174 C CG . TYR A 1 22 ? 11.036 7.849 33.791 1.00 32.00 ? 22 TYR A CG 1
648
+ ATOM 175 C CD1 . TYR A 1 22 ? 10.287 9.017 33.883 1.00 32.04 ? 22 TYR A CD1 1
649
+ ATOM 176 C CD2 . TYR A 1 22 ? 10.835 6.863 34.772 1.00 33.03 ? 22 TYR A CD2 1
650
+ ATOM 177 C CE1 . TYR A 1 22 ? 9.328 9.202 34.889 1.00 32.16 ? 22 TYR A CE1 1
651
+ ATOM 178 C CE2 . TYR A 1 22 ? 9.872 7.042 35.814 1.00 33.06 ? 22 TYR A CE2 1
652
+ ATOM 179 C CZ . TYR A 1 22 ? 9.123 8.221 35.849 1.00 32.50 ? 22 TYR A CZ 1
653
+ ATOM 180 O OH . TYR A 1 22 ? 8.190 8.445 36.832 1.00 31.88 ? 22 TYR A OH 1
654
+ ATOM 181 N N . PRO A 1 23 ? 11.968 7.978 28.915 1.00 31.04 ? 23 PRO A N 1
655
+ ATOM 182 C CA . PRO A 1 23 ? 12.866 8.153 27.765 1.00 30.65 ? 23 PRO A CA 1
656
+ ATOM 183 C C . PRO A 1 23 ? 13.570 9.508 27.675 1.00 29.90 ? 23 PRO A C 1
657
+ ATOM 184 O O . PRO A 1 23 ? 14.492 9.637 26.879 1.00 29.92 ? 23 PRO A O 1
658
+ ATOM 185 C CB . PRO A 1 23 ? 11.921 8.000 26.583 1.00 30.34 ? 23 PRO A CB 1
659
+ ATOM 186 C CG . PRO A 1 23 ? 10.659 8.587 27.076 1.00 30.68 ? 23 PRO A CG 1
660
+ ATOM 187 C CD . PRO A 1 23 ? 10.559 8.136 28.502 1.00 31.18 ? 23 PRO A CD 1
661
+ ATOM 188 N N . GLY A 1 24 ? 13.127 10.496 28.451 1.00 29.09 ? 24 GLY A N 1
662
+ ATOM 189 C CA . GLY A 1 24 ? 13.696 11.821 28.423 1.00 28.52 ? 24 GLY A CA 1
663
+ ATOM 190 C C . GLY A 1 24 ? 14.715 12.091 29.510 1.00 28.37 ? 24 GLY A C 1
664
+ ATOM 191 O O . GLY A 1 24 ? 14.710 11.419 30.569 1.00 28.89 ? 24 GLY A O 1
665
+ ATOM 192 N N . LEU A 1 25 ? 15.612 13.041 29.230 1.00 27.43 ? 25 LEU A N 1
666
+ ATOM 193 C CA . LEU A 1 25 ? 16.523 13.569 30.232 1.00 27.14 ? 25 LEU A CA 1
667
+ ATOM 194 C C . LEU A 1 25 ? 16.840 15.053 30.004 1.00 26.97 ? 25 LEU A C 1
668
+ ATOM 195 O O . LEU A 1 25 ? 17.181 15.441 28.882 1.00 25.80 ? 25 LEU A O 1
669
+ ATOM 196 C CB . LEU A 1 25 ? 17.829 12.770 30.268 1.00 27.45 ? 25 LEU A CB 1
670
+ ATOM 197 C CG . LEU A 1 25 ? 18.803 13.143 31.418 1.00 27.49 ? 25 LEU A CG 1
671
+ ATOM 198 C CD1 . LEU A 1 25 ? 19.343 11.919 32.074 1.00 26.31 ? 25 LEU A CD1 1
672
+ ATOM 199 C CD2 . LEU A 1 25 ? 19.963 14.074 30.979 1.00 28.70 ? 25 LEU A CD2 1
673
+ ATOM 200 N N . VAL A 1 26 ? 16.727 15.851 31.083 1.00 26.57 ? 26 VAL A N 1
674
+ ATOM 201 C CA . VAL A 1 26 ? 17.144 17.259 31.096 1.00 26.04 ? 26 VAL A CA 1
675
+ ATOM 202 C C . VAL A 1 26 ? 18.012 17.464 32.326 1.00 25.87 ? 26 VAL A C 1
676
+ ATOM 203 O O . VAL A 1 26 ? 17.760 16.873 33.388 1.00 25.45 ? 26 VAL A O 1
677
+ ATOM 204 C CB . VAL A 1 26 ? 15.951 18.224 31.103 1.00 25.95 ? 26 VAL A CB 1
678
+ ATOM 205 C CG1 . VAL A 1 26 ? 15.044 17.928 29.898 1.00 23.87 ? 26 VAL A CG1 1
679
+ ATOM 206 C CG2 . VAL A 1 26 ? 15.175 18.126 32.422 1.00 25.36 ? 26 VAL A CG2 1
680
+ ATOM 207 N N . GLY A 1 27 ? 19.032 18.302 32.183 1.00 25.42 ? 27 GLY A N 1
681
+ ATOM 208 C CA . GLY A 1 27 ? 19.942 18.556 33.284 1.00 24.97 ? 27 GLY A CA 1
682
+ ATOM 209 C C . GLY A 1 27 ? 20.931 19.679 33.045 1.00 24.84 ? 27 GLY A C 1
683
+ ATOM 210 O O . GLY A 1 27 ? 20.999 20.212 31.944 1.00 23.06 ? 27 GLY A O 1
684
+ ATOM 211 N N . THR A 1 28 ? 21.637 20.055 34.115 1.00 24.40 ? 28 THR A N 1
685
+ ATOM 212 C CA . THR A 1 28 ? 22.759 20.981 34.049 1.00 24.57 ? 28 THR A CA 1
686
+ ATOM 213 C C . THR A 1 28 ? 23.970 20.067 33.955 1.00 25.37 ? 28 THR A C 1
687
+ ATOM 214 O O . THR A 1 28 ? 23.820 18.889 33.702 1.00 25.21 ? 28 THR A O 1
688
+ ATOM 215 C CB . THR A 1 28 ? 22.823 21.871 35.293 1.00 24.31 ? 28 THR A CB 1
689
+ ATOM 216 O OG1 . THR A 1 28 ? 22.890 21.052 36.472 1.00 22.64 ? 28 THR A OG1 1
690
+ ATOM 217 C CG2 . THR A 1 28 ? 21.601 22.777 35.376 1.00 24.61 ? 28 THR A CG2 1
691
+ ATOM 218 N N . THR A 1 29 ? 25.175 20.580 34.143 1.00 26.77 ? 29 THR A N 1
692
+ ATOM 219 C CA . THR A 1 29 ? 26.365 19.730 34.118 1.00 27.43 ? 29 THR A CA 1
693
+ ATOM 220 C C . THR A 1 29 ? 26.356 18.730 35.274 1.00 28.34 ? 29 THR A C 1
694
+ ATOM 221 O O . THR A 1 29 ? 26.745 17.598 35.075 1.00 29.24 ? 29 THR A O 1
695
+ ATOM 222 C CB . THR A 1 29 ? 27.647 20.583 34.075 1.00 27.31 ? 29 THR A CB 1
696
+ ATOM 223 O OG1 . THR A 1 29 ? 27.667 21.281 32.808 1.00 29.28 ? 29 THR A OG1 1
697
+ ATOM 224 C CG2 . THR A 1 29 ? 28.904 19.718 34.183 1.00 24.42 ? 29 THR A CG2 1
698
+ ATOM 225 N N . ASP A 1 30 ? 25.791 19.135 36.408 1.00 29.05 ? 30 ASP A N 1
699
+ ATOM 226 C CA . ASP A 1 30 ? 25.875 18.443 37.697 1.00 29.53 ? 30 ASP A CA 1
700
+ ATOM 227 C C . ASP A 1 30 ? 24.606 17.779 38.201 1.00 28.05 ? 30 ASP A C 1
701
+ ATOM 228 O O . ASP A 1 30 ? 24.687 16.823 38.973 1.00 26.98 ? 30 ASP A O 1
702
+ ATOM 229 C CB . ASP A 1 30 ? 26.253 19.488 38.721 1.00 30.86 ? 30 ASP A CB 1
703
+ ATOM 230 C CG . ASP A 1 30 ? 27.726 19.952 38.617 1.00 36.75 ? 30 ASP A CG 1
704
+ ATOM 231 O OD1 . ASP A 1 30 ? 28.566 19.431 37.800 1.00 40.50 ? 30 ASP A OD1 1
705
+ ATOM 232 O OD2 . ASP A 1 30 ? 28.030 20.842 39.472 1.00 44.41 ? 30 ASP A OD2 1
706
+ ATOM 233 N N . TRP A 1 31 ? 23.447 18.312 37.815 1.00 26.86 ? 31 TRP A N 1
707
+ ATOM 234 C CA . TRP A 1 31 ? 22.172 17.685 38.110 1.00 26.43 ? 31 TRP A CA 1
708
+ ATOM 235 C C . TRP A 1 31 ? 21.499 17.240 36.809 1.00 25.77 ? 31 TRP A C 1
709
+ ATOM 236 O O . TRP A 1 31 ? 21.691 17.852 35.750 1.00 24.41 ? 31 TRP A O 1
710
+ ATOM 237 C CB . TRP A 1 31 ? 21.210 18.631 38.872 1.00 26.65 ? 31 TRP A CB 1
711
+ ATOM 238 C CG . TRP A 1 31 ? 21.438 18.823 40.323 1.00 26.17 ? 31 TRP A CG 1
712
+ ATOM 239 C CD1 . TRP A 1 31 ? 22.464 19.497 40.900 1.00 27.37 ? 31 TRP A CD1 1
713
+ ATOM 240 C CD2 . TRP A 1 31 ? 20.562 18.417 41.400 1.00 25.69 ? 31 TRP A CD2 1
714
+ ATOM 241 N NE1 . TRP A 1 31 ? 22.300 19.521 42.288 1.00 27.73 ? 31 TRP A NE1 1
715
+ ATOM 242 C CE2 . TRP A 1 31 ? 21.156 18.845 42.612 1.00 25.05 ? 31 TRP A CE2 1
716
+ ATOM 243 C CE3 . TRP A 1 31 ? 19.360 17.691 41.455 1.00 26.29 ? 31 TRP A CE3 1
717
+ ATOM 244 C CZ2 . TRP A 1 31 ? 20.573 18.620 43.859 1.00 26.06 ? 31 TRP A CZ2 1
718
+ ATOM 245 C CZ3 . TRP A 1 31 ? 18.774 17.455 42.689 1.00 26.69 ? 31 TRP A CZ3 1
719
+ ATOM 246 C CH2 . TRP A 1 31 ? 19.391 17.920 43.889 1.00 27.21 ? 31 TRP A CH2 1
720
+ ATOM 247 N N . ALA A 1 32 ? 20.686 16.182 36.933 1.00 25.50 ? 32 ALA A N 1
721
+ ATOM 248 C CA . ALA A 1 32 ? 19.870 15.653 35.842 1.00 25.56 ? 32 ALA A CA 1
722
+ ATOM 249 C C . ALA A 1 32 ? 18.618 14.940 36.402 1.00 25.88 ? 32 ALA A C 1
723
+ ATOM 250 O O . ALA A 1 32 ? 18.625 14.394 37.525 1.00 25.05 ? 32 ALA A O 1
724
+ ATOM 251 C CB . ALA A 1 32 ? 20.681 14.721 34.950 1.00 24.92 ? 32 ALA A CB 1
725
+ ATOM 252 N N . VAL A 1 33 ? 17.541 15.001 35.619 1.00 25.94 ? 33 VAL A N 1
726
+ ATOM 253 C CA . VAL A 1 33 ? 16.262 14.380 35.955 1.00 26.15 ? 33 VAL A CA 1
727
+ ATOM 254 C C . VAL A 1 33 ? 15.668 13.727 34.700 1.00 26.77 ? 33 VAL A C 1
728
+ ATOM 255 O O . VAL A 1 33 ? 15.733 14.300 33.610 1.00 26.31 ? 33 VAL A O 1
729
+ ATOM 256 C CB . VAL A 1 33 ? 15.266 15.403 36.578 1.00 26.15 ? 33 VAL A CB 1
730
+ ATOM 257 C CG1 . VAL A 1 33 ? 15.060 16.609 35.656 1.00 24.58 ? 33 VAL A CG1 1
731
+ ATOM 258 C CG2 . VAL A 1 33 ? 13.936 14.723 36.954 1.00 25.55 ? 33 VAL A CG2 1
732
+ ATOM 259 N N . GLU A 1 34 ? 15.127 12.520 34.887 1.00 27.83 ? 34 GLU A N 1
733
+ ATOM 260 C CA . GLU A 1 34 ? 14.468 11.743 33.844 1.00 28.84 ? 34 GLU A CA 1
734
+ ATOM 261 C C . GLU A 1 34 ? 13.046 12.238 33.655 1.00 28.81 ? 34 GLU A C 1
735
+ ATOM 262 O O . GLU A 1 34 ? 12.398 12.588 34.626 1.00 29.53 ? 34 GLU A O 1
736
+ ATOM 263 C CB . GLU A 1 34 ? 14.376 10.264 34.247 1.00 29.35 ? 34 GLU A CB 1
737
+ ATOM 264 C CG . GLU A 1 34 ? 15.649 9.421 34.090 1.00 31.04 ? 34 GLU A CG 1
738
+ ATOM 265 C CD . GLU A 1 34 ? 15.473 7.932 34.475 1.00 31.30 ? 34 GLU A CD 1
739
+ ATOM 266 O OE1 . GLU A 1 34 ? 14.434 7.539 35.082 1.00 35.57 ? 34 GLU A OE1 1
740
+ ATOM 267 O OE2 . GLU A 1 34 ? 16.416 7.148 34.192 1.00 35.43 ? 34 GLU A OE2 1
741
+ ATOM 268 N N . LEU A 1 35 ? 12.536 12.206 32.426 1.00 28.88 ? 35 LEU A N 1
742
+ ATOM 269 C CA . LEU A 1 35 ? 11.164 12.639 32.126 1.00 28.23 ? 35 LEU A CA 1
743
+ ATOM 270 C C . LEU A 1 35 ? 10.422 11.603 31.297 1.00 28.07 ? 35 LEU A C 1
744
+ ATOM 271 O O . LEU A 1 35 ? 11.050 10.841 30.550 1.00 27.96 ? 35 LEU A O 1
745
+ ATOM 272 C CB . LEU A 1 35 ? 11.196 13.941 31.334 1.00 28.51 ? 35 LEU A CB 1
746
+ ATOM 273 C CG . LEU A 1 35 ? 11.902 15.188 31.878 1.00 27.28 ? 35 LEU A CG 1
747
+ ATOM 274 C CD1 . LEU A 1 35 ? 11.759 16.310 30.827 1.00 26.04 ? 35 LEU A CD1 1
748
+ ATOM 275 C CD2 . LEU A 1 35 ? 11.314 15.614 33.186 1.00 26.57 ? 35 LEU A CD2 1
749
+ ATOM 276 N N . THR A 1 36 ? 9.088 11.584 31.442 1.00 27.72 ? 36 THR A N 1
750
+ ATOM 277 C CA . THR A 1 36 ? 8.212 10.755 30.611 1.00 27.65 ? 36 THR A CA 1
751
+ ATOM 278 C C . THR A 1 36 ? 8.111 11.448 29.242 1.00 27.88 ? 36 THR A C 1
752
+ ATOM 279 O O . THR A 1 36 ? 8.442 12.635 29.111 1.00 28.89 ? 36 THR A O 1
753
+ ATOM 280 C CB . THR A 1 36 ? 6.765 10.529 31.219 1.00 27.29 ? 36 THR A CB 1
754
+ ATOM 281 O OG1 . THR A 1 36 ? 5.993 11.736 31.191 1.00 26.85 ? 36 THR A OG1 1
755
+ ATOM 282 C CG2 . THR A 1 36 ? 6.824 10.008 32.635 1.00 26.69 ? 36 THR A CG2 1
756
+ ATOM 283 N N . ALA A 1 37 ? 7.654 10.718 28.235 1.00 27.72 ? 37 ALA A N 1
757
+ ATOM 284 C CA . ALA A 1 37 ? 7.489 11.268 26.877 1.00 27.82 ? 37 ALA A CA 1
758
+ ATOM 285 C C . ALA A 1 37 ? 6.580 12.503 26.866 1.00 28.07 ? 37 ALA A C 1
759
+ ATOM 286 O O . ALA A 1 37 ? 6.911 13.516 26.239 1.00 28.13 ? 37 ALA A O 1
760
+ ATOM 287 C CB . ALA A 1 37 ? 6.954 10.202 25.923 1.00 26.59 ? 37 ALA A CB 1
761
+ ATOM 288 N N . ALA A 1 38 ? 5.462 12.408 27.590 1.00 28.53 ? 38 ALA A N 1
762
+ ATOM 289 C CA . ALA A 1 38 ? 4.486 13.494 27.710 1.00 28.83 ? 38 ALA A CA 1
763
+ ATOM 290 C C . ALA A 1 38 ? 5.123 14.748 28.311 1.00 29.24 ? 38 ALA A C 1
764
+ ATOM 291 O O . ALA A 1 38 ? 4.849 15.855 27.860 1.00 30.11 ? 38 ALA A O 1
765
+ ATOM 292 C CB . ALA A 1 38 ? 3.265 13.048 28.536 1.00 28.24 ? 38 ALA A CB 1
766
+ ATOM 293 N N . GLU A 1 39 ? 5.998 14.568 29.289 1.00 29.59 ? 39 GLU A N 1
767
+ ATOM 294 C CA . GLU A 1 39 ? 6.705 15.687 29.921 1.00 30.05 ? 39 GLU A CA 1
768
+ ATOM 295 C C . GLU A 1 39 ? 7.797 16.300 29.064 1.00 30.22 ? 39 GLU A C 1
769
+ ATOM 296 O O . GLU A 1 39 ? 8.004 17.524 29.105 1.00 30.09 ? 39 GLU A O 1
770
+ ATOM 297 C CB . GLU A 1 39 ? 7.313 15.246 31.234 1.00 30.23 ? 39 GLU A CB 1
771
+ ATOM 298 C CG . GLU A 1 39 ? 6.252 14.889 32.297 1.00 30.81 ? 39 GLU A CG 1
772
+ ATOM 299 C CD . GLU A 1 39 ? 6.816 14.103 33.460 1.00 31.31 ? 39 GLU A CD 1
773
+ ATOM 300 O OE1 . GLU A 1 39 ? 7.750 13.305 33.182 1.00 32.63 ? 39 GLU A OE1 1
774
+ ATOM 301 O OE2 . GLU A 1 39 ? 6.325 14.265 34.633 1.00 30.84 ? 39 GLU A OE2 1
775
+ ATOM 302 N N . MET A 1 40 ? 8.524 15.458 28.334 1.00 30.70 ? 40 MET A N 1
776
+ ATOM 303 C CA . MET A 1 40 ? 9.544 15.942 27.404 1.00 30.48 ? 40 MET A CA 1
777
+ ATOM 304 C C . MET A 1 40 ? 8.875 16.748 26.281 1.00 30.27 ? 40 MET A C 1
778
+ ATOM 305 O O . MET A 1 40 ? 9.336 17.829 25.965 1.00 30.66 ? 40 MET A O 1
779
+ ATOM 306 C CB . MET A 1 40 ? 10.386 14.784 26.856 1.00 31.14 ? 40 MET A CB 1
780
+ ATOM 307 C CG . MET A 1 40 ? 11.571 15.191 25.954 1.00 32.95 ? 40 MET A CG 1
781
+ ATOM 308 S SD . MET A 1 40 ? 12.956 16.283 26.869 0.75 40.84 ? 40 MET A SD 1
782
+ ATOM 309 C CE . MET A 1 40 ? 13.448 15.076 28.278 1.00 40.02 ? 40 MET A CE 1
783
+ ATOM 310 N N . ALA A 1 41 ? 7.779 16.241 25.718 1.00 29.78 ? 41 ALA A N 1
784
+ ATOM 311 C CA . ALA A 1 41 ? 6.970 16.993 24.739 1.00 29.47 ? 41 ALA A CA 1
785
+ ATOM 312 C C . ALA A 1 41 ? 6.567 18.357 25.306 1.00 29.20 ? 41 ALA A C 1
786
+ ATOM 313 O O . ALA A 1 41 ? 6.753 19.376 24.651 1.00 29.10 ? 41 ALA A O 1
787
+ ATOM 314 C CB . ALA A 1 41 ? 5.754 16.219 24.355 1.00 28.63 ? 41 ALA A CB 1
788
+ ATOM 315 N N . ASP A 1 42 ? 6.082 18.370 26.549 1.00 29.03 ? 42 ASP A N 1
789
+ ATOM 316 C CA . ASP A 1 42 ? 5.681 19.616 27.210 1.00 28.93 ? 42 ASP A CA 1
790
+ ATOM 317 C C . ASP A 1 42 ? 6.869 20.515 27.487 1.00 28.74 ? 42 ASP A C 1
791
+ ATOM 318 O O . ASP A 1 42 ? 6.765 21.730 27.340 1.00 28.71 ? 42 ASP A O 1
792
+ ATOM 319 C CB . ASP A 1 42 ? 4.915 19.357 28.523 1.00 29.31 ? 42 ASP A CB 1
793
+ ATOM 320 C CG . ASP A 1 42 ? 3.493 18.821 28.312 1.00 30.56 ? 42 ASP A CG 1
794
+ ATOM 321 O OD1 . ASP A 1 42 ? 3.049 18.573 27.163 1.00 33.46 ? 42 ASP A OD1 1
795
+ ATOM 322 O OD2 . ASP A 1 42 ? 2.799 18.638 29.332 1.00 33.68 ? 42 ASP A OD2 1
796
+ ATOM 323 N N . PHE A 1 43 ? 7.996 19.929 27.885 1.00 28.95 ? 43 PHE A N 1
797
+ ATOM 324 C CA . PHE A 1 43 ? 9.194 20.706 28.204 1.00 29.07 ? 43 PHE A CA 1
798
+ ATOM 325 C C . PHE A 1 43 ? 9.638 21.494 26.984 1.00 29.60 ? 43 PHE A C 1
799
+ ATOM 326 O O . PHE A 1 43 ? 9.803 22.711 27.053 1.00 30.33 ? 43 PHE A O 1
800
+ ATOM 327 C CB . PHE A 1 43 ? 10.318 19.812 28.739 1.00 29.27 ? 43 PHE A CB 1
801
+ ATOM 328 C CG . PHE A 1 43 ? 11.596 20.544 29.035 1.00 28.10 ? 43 PHE A CG 1
802
+ ATOM 329 C CD1 . PHE A 1 43 ? 11.790 21.164 30.261 1.00 30.60 ? 43 PHE A CD1 1
803
+ ATOM 330 C CD2 . PHE A 1 43 ? 12.616 20.598 28.098 1.00 27.97 ? 43 PHE A CD2 1
804
+ ATOM 331 C CE1 . PHE A 1 43 ? 12.993 21.857 30.539 1.00 30.36 ? 43 PHE A CE1 1
805
+ ATOM 332 C CE2 . PHE A 1 43 ? 13.827 21.282 28.360 1.00 29.38 ? 43 PHE A CE2 1
806
+ ATOM 333 C CZ . PHE A 1 43 ? 14.015 21.917 29.561 1.00 29.35 ? 43 PHE A CZ 1
807
+ ATOM 334 N N . CYS A 1 44 ? 9.795 20.810 25.867 1.00 29.78 ? 44 CYS A N 1
808
+ ATOM 335 C CA . CYS A 1 44 ? 10.150 21.472 24.612 1.00 30.42 ? 44 CYS A CA 1
809
+ ATOM 336 C C . CYS A 1 44 ? 9.174 22.527 24.201 1.00 30.03 ? 44 CYS A C 1
810
+ ATOM 337 O O . CYS A 1 44 ? 9.582 23.642 23.957 1.00 30.99 ? 44 CYS A O 1
811
+ ATOM 338 C CB . CYS A 1 44 ? 10.241 20.471 23.470 1.00 30.38 ? 44 CYS A CB 1
812
+ ATOM 339 S SG . CYS A 1 44 ? 11.490 19.274 23.895 1.00 33.79 ? 44 CYS A SG 1
813
+ ATOM 340 N N . ARG A 1 45 ? 7.895 22.177 24.131 1.00 29.74 ? 45 ARG A N 1
814
+ ATOM 341 C CA . ARG A 1 45 ? 6.861 23.122 23.688 1.00 29.63 ? 45 ARG A CA 1
815
+ ATOM 342 C C . ARG A 1 45 ? 6.872 24.396 24.529 1.00 29.66 ? 45 ARG A C 1
816
+ ATOM 343 O O . ARG A 1 45 ? 6.871 25.492 23.982 1.00 30.10 ? 45 ARG A O 1
817
+ ATOM 344 C CB . ARG A 1 45 ? 5.468 22.484 23.736 1.00 29.36 ? 45 ARG A CB 1
818
+ ATOM 345 C CG . ARG A 1 45 ? 4.321 23.421 23.313 1.00 29.48 ? 45 ARG A CG 1
819
+ ATOM 346 C CD . ARG A 1 45 ? 3.046 22.661 23.088 1.00 29.94 ? 45 ARG A CD 1
820
+ ATOM 347 N NE . ARG A 1 45 ? 2.677 21.881 24.273 1.00 31.98 ? 45 ARG A NE 1
821
+ ATOM 348 C CZ . ARG A 1 45 ? 2.099 22.366 25.380 1.00 32.87 ? 45 ARG A CZ 1
822
+ ATOM 349 N NH1 . ARG A 1 45 ? 1.784 23.666 25.504 1.00 34.37 ? 45 ARG A NH1 1
823
+ ATOM 350 N NH2 . ARG A 1 45 ? 1.823 21.538 26.386 1.00 32.45 ? 45 ARG A NH2 1
824
+ ATOM 351 N N . LEU A 1 46 ? 6.924 24.248 25.847 1.00 29.38 ? 46 LEU A N 1
825
+ ATOM 352 C CA . LEU A 1 46 ? 6.825 25.405 26.710 1.00 29.29 ? 46 LEU A CA 1
826
+ ATOM 353 C C . LEU A 1 46 ? 8.126 26.196 26.767 1.00 29.57 ? 46 LEU A C 1
827
+ ATOM 354 O O . LEU A 1 46 ? 8.070 27.427 26.780 1.00 29.68 ? 46 LEU A O 1
828
+ ATOM 355 C CB . LEU A 1 46 ? 6.289 25.021 28.086 1.00 29.37 ? 46 LEU A CB 1
829
+ ATOM 356 C CG . LEU A 1 46 ? 4.825 24.524 28.119 1.00 29.07 ? 46 LEU A CG 1
830
+ ATOM 357 C CD1 . LEU A 1 46 ? 4.405 24.079 29.547 1.00 28.29 ? 46 LEU A CD1 1
831
+ ATOM 358 C CD2 . LEU A 1 46 ? 3.867 25.578 27.582 1.00 28.59 ? 46 LEU A CD2 1
832
+ ATOM 359 N N . VAL A 1 47 ? 9.280 25.520 26.765 1.00 29.72 ? 47 VAL A N 1
833
+ ATOM 360 C CA . VAL A 1 47 ? 10.575 26.223 26.693 1.00 29.78 ? 47 VAL A CA 1
834
+ ATOM 361 C C . VAL A 1 47 ? 10.672 27.059 25.408 1.00 30.68 ? 47 VAL A C 1
835
+ ATOM 362 O O . VAL A 1 47 ? 11.058 28.231 25.456 1.00 31.38 ? 47 VAL A O 1
836
+ ATOM 363 C CB . VAL A 1 47 ? 11.771 25.272 26.844 1.00 29.77 ? 47 VAL A CB 1
837
+ ATOM 364 C CG1 . VAL A 1 47 ? 13.025 25.897 26.356 1.00 29.02 ? 47 VAL A CG1 1
838
+ ATOM 365 C CG2 . VAL A 1 47 ? 11.938 24.850 28.363 1.00 29.83 ? 47 VAL A CG2 1
839
+ ATOM 366 N N . GLN A 1 48 ? 10.281 26.474 24.277 1.00 30.97 ? 48 GLN A N 1
840
+ ATOM 367 C CA . GLN A 1 48 ? 10.302 27.168 22.988 1.00 31.10 ? 48 GLN A CA 1
841
+ ATOM 368 C C . GLN A 1 48 ? 9.291 28.336 22.982 1.00 31.56 ? 48 GLN A C 1
842
+ ATOM 369 O O . GLN A 1 48 ? 9.596 29.398 22.464 1.00 32.20 ? 48 GLN A O 1
843
+ ATOM 370 C CB . GLN A 1 48 ? 10.072 26.185 21.824 1.00 30.63 ? 48 GLN A CB 1
844
+ ATOM 371 C CG . GLN A 1 48 ? 11.215 25.177 21.685 1.00 30.40 ? 48 GLN A CG 1
845
+ ATOM 372 C CD . GLN A 1 48 ? 10.956 24.072 20.689 1.00 30.34 ? 48 GLN A CD 1
846
+ ATOM 373 O OE1 . GLN A 1 48 ? 10.009 24.128 19.927 1.00 30.03 ? 48 GLN A OE1 1
847
+ ATOM 374 N NE2 . GLN A 1 48 ? 11.841 23.079 20.655 1.00 30.83 ? 48 GLN A NE2 1
848
+ ATOM 375 N N . GLN A 1 49 ? 8.130 28.144 23.604 1.00 31.48 ? 49 GLN A N 1
849
+ ATOM 376 C CA . GLN A 1 49 ? 7.116 29.189 23.720 1.00 31.55 ? 49 GLN A CA 1
850
+ ATOM 377 C C . GLN A 1 49 ? 7.671 30.376 24.502 1.00 31.46 ? 49 GLN A C 1
851
+ ATOM 378 O O . GLN A 1 49 ? 7.581 31.509 24.031 1.00 32.39 ? 49 GLN A O 1
852
+ ATOM 379 C CB . GLN A 1 49 ? 5.861 28.636 24.390 1.00 31.61 ? 49 GLN A CB 1
853
+ ATOM 380 C CG . GLN A 1 49 ? 4.652 29.562 24.452 1.00 31.90 ? 49 GLN A CG 1
854
+ ATOM 381 C CD . GLN A 1 49 ? 3.687 29.111 25.536 1.00 32.90 ? 49 GLN A CD 1
855
+ ATOM 382 O OE1 . GLN A 1 49 ? 2.983 28.102 25.383 1.00 32.39 ? 49 GLN A OE1 1
856
+ ATOM 383 N NE2 . GLN A 1 49 ? 3.691 29.833 26.673 1.00 34.22 ? 49 GLN A NE2 1
857
+ ATOM 384 N N . LEU A 1 50 ? 8.294 30.118 25.647 1.00 31.04 ? 50 LEU A N 1
858
+ ATOM 385 C CA . LEU A 1 50 ? 8.843 31.204 26.487 1.00 30.96 ? 50 LEU A CA 1
859
+ ATOM 386 C C . LEU A 1 50 ? 9.949 31.968 25.782 1.00 30.62 ? 50 LEU A C 1
860
+ ATOM 387 O O . LEU A 1 50 ? 9.915 33.196 25.742 1.00 31.14 ? 50 LEU A O 1
861
+ ATOM 388 C CB . LEU A 1 50 ? 9.344 30.700 27.855 1.00 30.86 ? 50 LEU A CB 1
862
+ ATOM 389 C CG . LEU A 1 50 ? 8.325 30.264 28.906 1.00 30.67 ? 50 LEU A CG 1
863
+ ATOM 390 C CD1 . LEU A 1 50 ? 9.082 29.675 30.083 1.00 30.05 ? 50 LEU A CD1 1
864
+ ATOM 391 C CD2 . LEU A 1 50 ? 7.415 31.421 29.351 1.00 31.12 ? 50 LEU A CD2 1
865
+ ATOM 392 N N . ALA A 1 51 ? 10.903 31.233 25.212 1.00 30.35 ? 51 ALA A N 1
866
+ ATOM 393 C CA . ALA A 1 51 ? 12.016 31.797 24.418 1.00 29.45 ? 51 ALA A CA 1
867
+ ATOM 394 C C . ALA A 1 51 ? 11.529 32.728 23.324 1.00 29.57 ? 51 ALA A C 1
868
+ ATOM 395 O O . ALA A 1 51 ? 12.114 33.797 23.112 1.00 29.89 ? 51 ALA A O 1
869
+ ATOM 396 C CB . ALA A 1 51 ? 12.830 30.685 23.807 1.00 28.73 ? 51 ALA A CB 1
870
+ ATOM 397 N N . GLU A 1 52 ? 10.444 32.338 22.664 1.00 29.56 ? 52 GLU A N 1
871
+ ATOM 398 C CA . GLU A 1 52 ? 9.901 33.105 21.537 1.00 30.43 ? 52 GLU A CA 1
872
+ ATOM 399 C C . GLU A 1 52 ? 9.143 34.353 21.969 1.00 29.09 ? 52 GLU A C 1
873
+ ATOM 400 O O . GLU A 1 52 ? 9.193 35.369 21.290 1.00 29.16 ? 52 GLU A O 1
874
+ ATOM 401 C CB . GLU A 1 52 ? 9.040 32.214 20.656 1.00 30.09 ? 52 GLU A CB 1
875
+ ATOM 402 C CG . GLU A 1 52 ? 9.872 31.137 19.940 1.00 33.46 ? 52 GLU A CG 1
876
+ ATOM 403 C CD . GLU A 1 52 ? 9.024 30.080 19.178 1.00 35.02 ? 52 GLU A CD 1
877
+ ATOM 404 O OE1 . GLU A 1 52 ? 7.976 30.479 18.590 1.00 42.25 ? 52 GLU A OE1 1
878
+ ATOM 405 O OE2 . GLU A 1 52 ? 9.436 28.881 19.121 1.00 39.87 ? 52 GLU A OE2 1
879
+ ATOM 406 N N . THR A 1 53 ? 8.422 34.267 23.083 1.00 28.18 ? 53 THR A N 1
880
+ ATOM 407 C CA . THR A 1 53 ? 7.785 35.438 23.688 1.00 27.32 ? 53 THR A CA 1
881
+ ATOM 408 C C . THR A 1 53 ? 8.844 36.484 23.999 1.00 26.57 ? 53 THR A C 1
882
+ ATOM 409 O O . THR A 1 53 ? 8.728 37.648 23.578 1.00 26.77 ? 53 THR A O 1
883
+ ATOM 410 C CB . THR A 1 53 ? 7.076 35.033 24.990 1.00 27.77 ? 53 THR A CB 1
884
+ ATOM 411 O OG1 . THR A 1 53 ? 6.005 34.144 24.658 1.00 27.97 ? 53 THR A OG1 1
885
+ ATOM 412 C CG2 . THR A 1 53 ? 6.554 36.236 25.797 1.00 26.42 ? 53 THR A CG2 1
886
+ ATOM 413 N N . ILE A 1 54 ? 9.895 36.020 24.672 1.00 24.94 ? 54 ILE A N 1
887
+ ATOM 414 C CA . ILE A 1 54 ? 11.001 36.869 25.093 1.00 24.51 ? 54 ILE A CA 1
888
+ ATOM 415 C C . ILE A 1 54 ? 11.772 37.466 23.912 1.00 23.51 ? 54 ILE A C 1
889
+ ATOM 416 O O . ILE A 1 54 ? 12.066 38.667 23.915 1.00 23.82 ? 54 ILE A O 1
890
+ ATOM 417 C CB . ILE A 1 54 ? 11.940 36.130 26.082 1.00 24.35 ? 54 ILE A CB 1
891
+ ATOM 418 C CG1 . ILE A 1 54 ? 11.199 35.832 27.406 1.00 25.03 ? 54 ILE A CG1 1
892
+ ATOM 419 C CG2 . ILE A 1 54 ? 13.145 36.972 26.408 1.00 24.24 ? 54 ILE A CG2 1
893
+ ATOM 420 C CD1 . ILE A 1 54 ? 11.939 34.878 28.344 1.00 24.92 ? 54 ILE A CD1 1
894
+ ATOM 421 N N . ALA A 1 55 ? 12.045 36.661 22.891 1.00 22.35 ? 55 ALA A N 1
895
+ ATOM 422 C CA . ALA A 1 55 ? 12.772 37.151 21.722 1.00 21.22 ? 55 ALA A CA 1
896
+ ATOM 423 C C . ALA A 1 55 ? 11.954 38.218 20.968 1.00 21.15 ? 55 ALA A C 1
897
+ ATOM 424 O O . ALA A 1 55 ? 12.544 39.150 20.395 1.00 21.43 ? 55 ALA A O 1
898
+ ATOM 425 C CB . ALA A 1 55 ? 13.204 36.007 20.806 1.00 20.69 ? 55 ALA A CB 1
899
+ ATOM 426 N N . ALA A 1 56 ? 10.615 38.106 21.027 1.00 20.44 ? 56 ALA A N 1
900
+ ATOM 427 C CA . ALA A 1 56 ? 9.681 39.093 20.431 1.00 19.77 ? 56 ALA A CA 1
901
+ ATOM 428 C C . ALA A 1 56 ? 9.601 40.426 21.187 1.00 19.48 ? 56 ALA A C 1
902
+ ATOM 429 O O . ALA A 1 56 ? 9.065 41.376 20.654 1.00 19.55 ? 56 ALA A O 1
903
+ ATOM 430 C CB . ALA A 1 56 ? 8.279 38.503 20.274 1.00 18.75 ? 56 ALA A CB 1
904
+ ATOM 431 N N . ILE A 1 57 ? 10.126 40.502 22.411 1.00 19.65 ? 57 ILE A N 1
905
+ ATOM 432 C CA . ILE A 1 57 ? 10.236 41.775 23.152 1.00 20.08 ? 57 ILE A CA 1
906
+ ATOM 433 C C . ILE A 1 57 ? 11.242 42.671 22.421 1.00 20.37 ? 57 ILE A C 1
907
+ ATOM 434 O O . ILE A 1 57 ? 12.348 42.228 22.084 1.00 20.00 ? 57 ILE A O 1
908
+ ATOM 435 C CB . ILE A 1 57 ? 10.749 41.607 24.621 1.00 19.99 ? 57 ILE A CB 1
909
+ ATOM 436 C CG1 . ILE A 1 57 ? 9.789 40.704 25.427 1.00 20.62 ? 57 ILE A CG1 1
910
+ ATOM 437 C CG2 . ILE A 1 57 ? 10.945 42.980 25.270 1.00 17.96 ? 57 ILE A CG2 1
911
+ ATOM 438 C CD1 . ILE A 1 57 ? 10.354 40.195 26.791 1.00 20.41 ? 57 ILE A CD1 1
912
+ ATOM 439 N N . ALA A 1 58 ? 10.849 43.923 22.188 1.00 21.14 ? 58 ALA A N 1
913
+ ATOM 440 C CA . ALA A 1 58 ? 11.720 44.905 21.525 1.00 21.63 ? 58 ALA A CA 1
914
+ ATOM 441 C C . ALA A 1 58 ? 12.946 45.108 22.416 1.00 21.82 ? 58 ALA A C 1
915
+ ATOM 442 O O . ALA A 1 58 ? 12.802 45.074 23.641 1.00 22.14 ? 58 ALA A O 1
916
+ ATOM 443 C CB . ALA A 1 58 ? 10.987 46.223 21.293 1.00 21.06 ? 58 ALA A CB 1
917
+ ATOM 444 N N . PRO A 1 59 ? 14.144 45.272 21.818 1.00 22.52 ? 59 PRO A N 1
918
+ ATOM 445 C CA . PRO A 1 59 ? 15.337 45.397 22.626 1.00 23.36 ? 59 PRO A CA 1
919
+ ATOM 446 C C . PRO A 1 59 ? 15.399 46.773 23.318 1.00 24.34 ? 59 PRO A C 1
920
+ ATOM 447 O O . PRO A 1 59 ? 14.735 47.744 22.876 1.00 24.93 ? 59 PRO A O 1
921
+ ATOM 448 C CB . PRO A 1 59 ? 16.466 45.210 21.610 1.00 23.09 ? 59 PRO A CB 1
922
+ ATOM 449 C CG . PRO A 1 59 ? 15.922 45.728 20.324 1.00 22.72 ? 59 PRO A CG 1
923
+ ATOM 450 C CD . PRO A 1 59 ? 14.445 45.452 20.380 1.00 23.00 ? 59 PRO A CD 1
924
+ ATOM 451 N N . GLU A 1 60 ? 16.145 46.828 24.420 1.00 24.95 ? 60 GLU A N 1
925
+ ATOM 452 C CA . GLU A 1 60 ? 16.379 48.061 25.196 1.00 25.46 ? 60 GLU A CA 1
926
+ ATOM 453 C C . GLU A 1 60 ? 17.796 47.984 25.739 1.00 24.95 ? 60 GLU A C 1
927
+ ATOM 454 O O . GLU A 1 60 ? 18.167 46.951 26.280 1.00 24.77 ? 60 GLU A O 1
928
+ ATOM 455 C CB . GLU A 1 60 ? 15.437 48.154 26.413 1.00 25.57 ? 60 GLU A CB 1
929
+ ATOM 456 C CG . GLU A 1 60 ? 13.895 48.124 26.184 1.00 27.07 ? 60 GLU A CG 1
930
+ ATOM 457 C CD . GLU A 1 60 ? 13.103 47.878 27.536 1.00 28.80 ? 60 GLU A CD 1
931
+ ATOM 458 O OE1 . GLU A 1 60 ? 12.958 48.836 28.362 1.00 32.51 ? 60 GLU A OE1 1
932
+ ATOM 459 O OE2 . GLU A 1 60 ? 12.634 46.713 27.771 1.00 31.28 ? 60 GLU A OE2 1
933
+ ATOM 460 N N . LEU A 1 61 ? 18.559 49.067 25.655 1.00 24.92 ? 61 LEU A N 1
934
+ ATOM 461 C CA . LEU A 1 61 ? 19.901 49.089 26.239 1.00 25.14 ? 61 LEU A CA 1
935
+ ATOM 462 C C . LEU A 1 61 ? 19.886 48.741 27.756 1.00 25.91 ? 61 LEU A C 1
936
+ ATOM 463 O O . LEU A 1 61 ? 20.708 47.922 28.209 1.00 25.67 ? 61 LEU A O 1
937
+ ATOM 464 C CB . LEU A 1 61 ? 20.615 50.410 25.971 1.00 24.86 ? 61 LEU A CB 1
938
+ ATOM 465 C CG . LEU A 1 61 ? 21.275 50.532 24.597 1.00 24.48 ? 61 LEU A CG 1
939
+ ATOM 466 C CD1 . LEU A 1 61 ? 20.374 50.085 23.487 1.00 24.73 ? 61 LEU A CD1 1
940
+ ATOM 467 C CD2 . LEU A 1 61 ? 21.744 51.954 24.338 1.00 24.38 ? 61 LEU A CD2 1
941
+ ATOM 468 N N . MET A 1 62 ? 18.928 49.282 28.519 1.00 26.49 ? 62 MET A N 1
942
+ ATOM 469 C CA . MET A 1 62 ? 18.825 48.948 29.962 1.00 26.66 ? 62 MET A CA 1
943
+ ATOM 470 C C . MET A 1 62 ? 17.377 49.003 30.461 1.00 26.29 ? 62 MET A C 1
944
+ ATOM 471 O O . MET A 1 62 ? 16.874 50.067 30.826 1.00 26.15 ? 62 MET A O 1
945
+ ATOM 472 C CB . MET A 1 62 ? 19.737 49.867 30.763 1.00 27.01 ? 62 MET A CB 1
946
+ ATOM 473 C CG . MET A 1 62 ? 20.129 49.333 32.133 1.00 26.91 ? 62 MET A CG 1
947
+ ATOM 474 S SD . MET A 1 62 ? 21.180 50.744 32.994 0.75 29.31 ? 62 MET A SD 1
948
+ ATOM 475 C CE . MET A 1 62 ? 20.913 50.203 34.878 1.00 29.75 ? 62 MET A CE 1
949
+ ATOM 476 N N . PRO A 1 63 ? 16.684 47.863 30.430 1.00 26.52 ? 63 PRO A N 1
950
+ ATOM 477 C CA . PRO A 1 63 ? 15.272 47.837 30.801 1.00 27.16 ? 63 PRO A CA 1
951
+ ATOM 478 C C . PRO A 1 63 ? 15.009 48.106 32.260 1.00 28.03 ? 63 PRO A C 1
952
+ ATOM 479 O O . PRO A 1 63 ? 15.769 47.641 33.082 1.00 27.89 ? 63 PRO A O 1
953
+ ATOM 480 C CB . PRO A 1 63 ? 14.869 46.403 30.466 1.00 27.46 ? 63 PRO A CB 1
954
+ ATOM 481 C CG . PRO A 1 63 ? 16.112 45.630 30.557 1.00 26.74 ? 63 PRO A CG 1
955
+ ATOM 482 C CD . PRO A 1 63 ? 17.143 46.525 30.007 1.00 26.63 ? 63 PRO A CD 1
956
+ ATOM 483 N N . GLU A 1 64 ? 13.925 48.810 32.573 1.00 29.39 ? 64 GLU A N 1
957
+ ATOM 484 C CA . GLU A 1 64 ? 13.633 49.185 33.955 1.00 31.35 ? 64 GLU A CA 1
958
+ ATOM 485 C C . GLU A 1 64 ? 13.205 48.053 34.866 1.00 32.16 ? 64 GLU A C 1
959
+ ATOM 486 O O . GLU A 1 64 ? 13.521 48.082 36.045 1.00 32.19 ? 64 GLU A O 1
960
+ ATOM 487 C CB . GLU A 1 64 ? 12.622 50.336 34.054 1.00 31.75 ? 64 GLU A CB 1
961
+ ATOM 488 C CG . GLU A 1 64 ? 11.190 50.088 33.550 1.00 32.70 ? 64 GLU A CG 1
962
+ ATOM 489 C CD . GLU A 1 64 ? 10.376 51.394 33.550 1.00 33.35 ? 64 GLU A CD 1
963
+ ATOM 490 O OE1 . GLU A 1 64 ? 10.311 52.044 34.622 1.00 34.70 ? 64 GLU A OE1 1
964
+ ATOM 491 O OE2 . GLU A 1 64 ? 9.827 51.784 32.479 1.00 35.84 ? 64 GLU A OE2 1
965
+ ATOM 492 N N . GLU A 1 65 ? 12.510 47.055 34.326 1.00 33.56 ? 65 GLU A N 1
966
+ ATOM 493 C CA . GLU A 1 65 ? 12.001 45.924 35.119 1.00 34.30 ? 65 GLU A CA 1
967
+ ATOM 494 C C . GLU A 1 65 ? 12.632 44.623 34.661 1.00 34.03 ? 65 GLU A C 1
968
+ ATOM 495 O O . GLU A 1 65 ? 12.839 44.423 33.460 1.00 34.32 ? 65 GLU A O 1
969
+ ATOM 496 C CB . GLU A 1 65 ? 10.469 45.814 34.941 1.00 35.24 ? 65 GLU A CB 1
970
+ ATOM 497 C CG . GLU A 1 65 ? 9.596 46.867 35.692 1.00 37.27 ? 65 GLU A CG 1
971
+ ATOM 498 C CD . GLU A 1 65 ? 9.572 46.656 37.205 1.00 40.31 ? 65 GLU A CD 1
972
+ ATOM 499 O OE1 . GLU A 1 65 ? 9.597 45.490 37.675 1.00 42.82 ? 65 GLU A OE1 1
973
+ ATOM 500 O OE2 . GLU A 1 65 ? 9.535 47.667 37.940 1.00 43.19 ? 65 GLU A OE2 1
974
+ ATOM 501 N N . ARG A 1 66 ? 12.900 43.729 35.612 1.00 33.86 ? 66 ARG A N 1
975
+ ATOM 502 C CA . ARG A 1 66 ? 13.301 42.342 35.305 1.00 33.89 ? 66 ARG A CA 1
976
+ ATOM 503 C C . ARG A 1 66 ? 12.051 41.629 34.781 1.00 33.86 ? 66 ARG A C 1
977
+ ATOM 504 O O . ARG A 1 66 ? 10.966 41.914 35.260 1.00 34.21 ? 66 ARG A O 1
978
+ ATOM 505 C CB . ARG A 1 66 ? 13.810 41.604 36.548 1.00 33.85 ? 66 ARG A CB 1
979
+ ATOM 506 C CG . ARG A 1 66 ? 14.990 42.261 37.266 1.00 33.66 ? 66 ARG A CG 1
980
+ ATOM 507 C CD . ARG A 1 66 ? 15.334 41.523 38.539 1.00 33.71 ? 66 ARG A CD 1
981
+ ATOM 508 N NE . ARG A 1 66 ? 15.840 40.163 38.295 1.00 33.85 ? 66 ARG A NE 1
982
+ ATOM 509 C CZ . ARG A 1 66 ? 17.071 39.853 37.859 1.00 34.99 ? 66 ARG A CZ 1
983
+ ATOM 510 N NH1 . ARG A 1 66 ? 17.984 40.783 37.591 1.00 36.47 ? 66 ARG A NH1 1
984
+ ATOM 511 N NH2 . ARG A 1 66 ? 17.408 38.577 37.677 1.00 35.16 ? 66 ARG A NH2 1
985
+ ATOM 512 N N . LEU A 1 67 ? 12.177 40.747 33.793 1.00 33.84 ? 67 LEU A N 1
986
+ ATOM 513 C CA . LEU A 1 67 ? 11.013 39.979 33.298 1.00 33.93 ? 67 LEU A CA 1
987
+ ATOM 514 C C . LEU A 1 67 ? 10.801 38.710 34.144 1.00 33.56 ? 67 LEU A C 1
988
+ ATOM 515 O O . LEU A 1 67 ? 11.762 38.179 34.704 1.00 33.70 ? 67 LEU A O 1
989
+ ATOM 516 C CB . LEU A 1 67 ? 11.121 39.652 31.790 1.00 34.19 ? 67 LEU A CB 1
990
+ ATOM 517 C CG . LEU A 1 67 ? 12.232 38.777 31.197 1.00 35.17 ? 67 LEU A CG 1
991
+ ATOM 518 C CD1 . LEU A 1 67 ? 12.138 37.282 31.584 1.00 35.43 ? 67 LEU A CD1 1
992
+ ATOM 519 C CD2 . LEU A 1 67 ? 12.186 38.906 29.689 1.00 34.59 ? 67 LEU A CD2 1
993
+ ATOM 520 N N . GLN A 1 68 ? 9.530 38.306 34.253 1.00 33.01 ? 68 GLN A N 1
994
+ ATOM 521 C CA . GLN A 1 68 ? 9.129 37.096 34.939 0.50 32.58 ? 68 GLN A CA 1
995
+ ATOM 522 C C . GLN A 1 68 ? 7.911 36.546 34.189 1.00 32.70 ? 68 GLN A C 1
996
+ ATOM 523 O O . GLN A 1 68 ? 6.795 37.049 34.314 1.00 33.75 ? 68 GLN A O 1
997
+ ATOM 524 C CB . GLN A 1 68 ? 8.848 37.365 36.420 0.50 32.55 ? 68 GLN A CB 1
998
+ ATOM 525 C CG . GLN A 1 68 ? 8.848 36.112 37.280 0.50 31.61 ? 68 GLN A CG 1
999
+ ATOM 526 C CD . GLN A 1 68 ? 8.545 36.396 38.728 0.50 31.47 ? 68 GLN A CD 1
1000
+ ATOM 527 O OE1 . GLN A 1 68 ? 8.951 37.417 39.283 0.50 28.90 ? 68 GLN A OE1 1
1001
+ ATOM 528 N NE2 . GLN A 1 68 ? 7.824 35.489 39.351 0.50 29.35 ? 68 GLN A NE2 1
1002
+ ATOM 529 N N . ILE A 1 69 ? 8.153 35.536 33.369 1.00 32.08 ? 69 ILE A N 1
1003
+ ATOM 530 C CA . ILE A 1 69 ? 7.101 34.943 32.538 1.00 31.55 ? 69 ILE A CA 1
1004
+ ATOM 531 C C . ILE A 1 69 ? 7.006 33.481 32.893 1.00 31.25 ? 69 ILE A C 1
1005
+ ATOM 532 O O . ILE A 1 69 ? 8.035 32.848 33.085 1.00 31.18 ? 69 ILE A O 1
1006
+ ATOM 533 C CB . ILE A 1 69 ? 7.444 35.058 31.015 1.00 31.15 ? 69 ILE A CB 1
1007
+ ATOM 534 C CG1 . ILE A 1 69 ? 7.743 36.502 30.621 1.00 30.95 ? 69 ILE A CG1 1
1008
+ ATOM 535 C CG2 . ILE A 1 69 ? 6.322 34.505 30.178 1.00 29.25 ? 69 ILE A CG2 1
1009
+ ATOM 536 C CD1 . ILE A 1 69 ? 8.093 36.656 29.122 1.00 32.32 ? 69 ILE A CD1 1
1010
+ ATOM 537 N N . GLU A 1 70 ? 5.799 32.936 32.940 1.00 30.98 ? 70 GLU A N 1
1011
+ ATOM 538 C CA . GLU A 1 70 ? 5.633 31.506 33.159 1.00 31.57 ? 70 GLU A CA 1
1012
+ ATOM 539 C C . GLU A 1 70 ? 4.691 30.854 32.165 1.00 30.77 ? 70 GLU A C 1
1013
+ ATOM 540 O O . GLU A 1 70 ? 3.799 31.499 31.643 1.00 31.86 ? 70 GLU A O 1
1014
+ ATOM 541 C CB . GLU A 1 70 ? 5.172 31.239 34.596 1.00 31.87 ? 70 GLU A CB 1
1015
+ ATOM 542 C CG . GLU A 1 70 ? 3.816 31.838 34.964 1.00 32.54 ? 70 GLU A CG 1
1016
+ ATOM 543 C CD . GLU A 1 70 ? 3.535 31.779 36.458 1.00 33.15 ? 70 GLU A CD 1
1017
+ ATOM 544 O OE1 . GLU A 1 70 ? 4.455 32.121 37.258 1.00 35.71 ? 70 GLU A OE1 1
1018
+ ATOM 545 O OE2 . GLU A 1 70 ? 2.388 31.407 36.819 1.00 32.77 ? 70 GLU A OE2 1
1019
+ ATOM 546 N N . ALA A 1 71 ? 4.934 29.578 31.894 1.00 30.24 ? 71 ALA A N 1
1020
+ ATOM 547 C CA . ALA A 1 71 ? 4.077 28.725 31.066 1.00 29.64 ? 71 ALA A CA 1
1021
+ ATOM 548 C C . ALA A 1 71 ? 3.972 27.397 31.817 1.00 29.55 ? 71 ALA A C 1
1022
+ ATOM 549 O O . ALA A 1 71 ? 4.949 26.968 32.398 1.00 29.62 ? 71 ALA A O 1
1023
+ ATOM 550 C CB . ALA A 1 71 ? 4.702 28.530 29.699 1.00 29.41 ? 71 ALA A CB 1
1024
+ ATOM 551 N N . GLU A 1 72 ? 2.793 26.787 31.859 1.00 29.52 ? 72 GLU A N 1
1025
+ ATOM 552 C CA . GLU A 1 72 ? 2.603 25.503 32.512 1.00 29.66 ? 72 GLU A CA 1
1026
+ ATOM 553 C C . GLU A 1 72 ? 1.613 24.620 31.795 1.00 28.98 ? 72 GLU A C 1
1027
+ ATOM 554 O O . GLU A 1 72 ? 0.798 25.103 31.030 1.00 29.45 ? 72 GLU A O 1
1028
+ ATOM 555 C CB . GLU A 1 72 ? 2.151 25.682 33.971 1.00 30.32 ? 72 GLU A CB 1
1029
+ ATOM 556 C CG . GLU A 1 72 ? 0.827 26.436 34.238 1.00 30.84 ? 72 GLU A CG 1
1030
+ ATOM 557 C CD . GLU A 1 72 ? 0.364 26.373 35.704 1.00 31.86 ? 72 GLU A CD 1
1031
+ ATOM 558 O OE1 . GLU A 1 72 ? 1.080 25.845 36.599 1.00 35.08 ? 72 GLU A OE1 1
1032
+ ATOM 559 O OE2 . GLU A 1 72 ? -0.765 26.849 35.971 1.00 37.45 ? 72 GLU A OE2 1
1033
+ ATOM 560 N N . SER A 1 73 ? 1.737 23.321 32.036 1.00 28.43 ? 73 SER A N 1
1034
+ ATOM 561 C CA . SER A 1 73 ? 0.813 22.301 31.590 1.00 28.28 ? 73 SER A CA 1
1035
+ ATOM 562 C C . SER A 1 73 ? 0.434 21.500 32.833 1.00 28.39 ? 73 SER A C 1
1036
+ ATOM 563 O O . SER A 1 73 ? 1.005 21.713 33.914 1.00 28.73 ? 73 SER A O 1
1037
+ ATOM 564 C CB . SER A 1 73 ? 1.515 21.370 30.607 1.00 28.07 ? 73 SER A CB 1
1038
+ ATOM 565 O OG . SER A 1 73 ? 2.354 20.450 31.303 1.00 29.35 ? 73 SER A OG 1
1039
+ ATOM 566 N N . ALA A 1 74 ? -0.465 20.533 32.660 1.00 28.19 ? 74 ALA A N 1
1040
+ ATOM 567 C CA . ALA A 1 74 ? -0.844 19.599 33.738 1.00 28.13 ? 74 ALA A CA 1
1041
+ ATOM 568 C C . ALA A 1 74 ? 0.371 18.843 34.350 1.00 28.15 ? 74 ALA A C 1
1042
+ ATOM 569 O O . ALA A 1 74 ? 0.358 18.527 35.546 1.00 27.75 ? 74 ALA A O 1
1043
+ ATOM 570 C CB . ALA A 1 74 ? -1.908 18.600 33.247 1.00 27.47 ? 74 ALA A CB 1
1044
+ ATOM 571 N N . LEU A 1 75 ? 1.406 18.604 33.533 1.00 28.00 ? 75 LEU A N 1
1045
+ ATOM 572 C CA . LEU A 1 75 ? 2.584 17.835 33.931 1.00 28.10 ? 75 LEU A CA 1
1046
+ ATOM 573 C C . LEU A 1 75 ? 3.754 18.659 34.493 1.00 28.35 ? 75 LEU A C 1
1047
+ ATOM 574 O O . LEU A 1 75 ? 4.469 18.165 35.355 1.00 28.56 ? 75 LEU A O 1
1048
+ ATOM 575 C CB . LEU A 1 75 ? 3.071 17.002 32.747 1.00 27.80 ? 75 LEU A CB 1
1049
+ ATOM 576 C CG . LEU A 1 75 ? 2.090 15.961 32.199 1.00 27.02 ? 75 LEU A CG 1
1050
+ ATOM 577 C CD1 . LEU A 1 75 ? 2.567 15.474 30.825 1.00 25.76 ? 75 LEU A CD1 1
1051
+ ATOM 578 C CD2 . LEU A 1 75 ? 1.918 14.810 33.188 1.00 23.66 ? 75 LEU A CD2 1
1052
+ ATOM 579 N N . LEU A 1 76 ? 3.957 19.886 34.007 1.00 28.76 ? 76 LEU A N 1
1053
+ ATOM 580 C CA . LEU A 1 76 ? 5.061 20.736 34.479 1.00 28.80 ? 76 LEU A CA 1
1054
+ ATOM 581 C C . LEU A 1 76 ? 4.788 22.241 34.404 1.00 28.62 ? 76 LEU A C 1
1055
+ ATOM 582 O O . LEU A 1 76 ? 3.830 22.673 33.778 1.00 27.87 ? 76 LEU A O 1
1056
+ ATOM 583 C CB . LEU A 1 76 ? 6.366 20.364 33.745 1.00 29.39 ? 76 LEU A CB 1
1057
+ ATOM 584 C CG . LEU A 1 76 ? 6.398 20.374 32.208 1.00 29.00 ? 76 LEU A CG 1
1058
+ ATOM 585 C CD1 . LEU A 1 76 ? 6.660 21.753 31.724 1.00 29.71 ? 76 LEU A CD1 1
1059
+ ATOM 586 C CD2 . LEU A 1 76 ? 7.483 19.444 31.689 1.00 29.20 ? 76 LEU A CD2 1
1060
+ ATOM 587 N N . TRP A 1 77 ? 5.636 22.989 35.115 1.00 28.78 ? 77 TRP A N 1
1061
+ ATOM 588 C CA . TRP A 1 77 ? 5.600 24.450 35.238 1.00 29.09 ? 77 TRP A CA 1
1062
+ ATOM 589 C C . TRP A 1 77 ? 6.990 24.973 34.947 1.00 29.67 ? 77 TRP A C 1
1063
+ ATOM 590 O O . TRP A 1 77 ? 7.956 24.444 35.494 1.00 30.16 ? 77 TRP A O 1
1064
+ ATOM 591 C CB . TRP A 1 77 ? 5.257 24.824 36.670 1.00 29.27 ? 77 TRP A CB 1
1065
+ ATOM 592 C CG . TRP A 1 77 ? 5.275 26.304 37.005 1.00 28.99 ? 77 TRP A CG 1
1066
+ ATOM 593 C CD1 . TRP A 1 77 ? 4.251 27.178 36.860 1.00 28.73 ? 77 TRP A CD1 1
1067
+ ATOM 594 C CD2 . TRP A 1 77 ? 6.347 27.041 37.603 1.00 28.29 ? 77 TRP A CD2 1
1068
+ ATOM 595 N NE1 . TRP A 1 77 ? 4.616 28.420 37.298 1.00 28.85 ? 77 TRP A NE1 1
1069
+ ATOM 596 C CE2 . TRP A 1 77 ? 5.900 28.369 37.762 1.00 28.83 ? 77 TRP A CE2 1
1070
+ ATOM 597 C CE3 . TRP A 1 77 ? 7.645 26.709 38.017 1.00 28.80 ? 77 TRP A CE3 1
1071
+ ATOM 598 C CZ2 . TRP A 1 77 ? 6.706 29.381 38.318 1.00 29.13 ? 77 TRP A CZ2 1
1072
+ ATOM 599 C CZ3 . TRP A 1 77 ? 8.462 27.715 38.581 1.00 28.82 ? 77 TRP A CZ3 1
1073
+ ATOM 600 C CH2 . TRP A 1 77 ? 7.976 29.038 38.726 1.00 29.52 ? 77 TRP A CH2 1
1074
+ ATOM 601 N N . LEU A 1 78 ? 7.071 26.000 34.102 1.00 30.17 ? 78 LEU A N 1
1075
+ ATOM 602 C CA . LEU A 1 78 ? 8.309 26.651 33.672 1.00 30.53 ? 78 LEU A CA 1
1076
+ ATOM 603 C C . LEU A 1 78 ? 8.215 28.152 33.911 1.00 31.06 ? 78 LEU A C 1
1077
+ ATOM 604 O O . LEU A 1 78 ? 7.125 28.729 33.784 1.00 30.97 ? 78 LEU A O 1
1078
+ ATOM 605 C CB . LEU A 1 78 ? 8.579 26.401 32.176 1.00 30.72 ? 78 LEU A CB 1
1079
+ ATOM 606 C CG . LEU A 1 78 ? 9.189 25.045 31.783 1.00 31.48 ? 78 LEU A CG 1
1080
+ ATOM 607 C CD1 . LEU A 1 78 ? 9.060 24.850 30.246 1.00 33.04 ? 78 LEU A CD1 1
1081
+ ATOM 608 C CD2 . LEU A 1 78 ? 10.659 24.882 32.252 1.00 29.63 ? 78 LEU A CD2 1
1082
+ ATOM 609 N N . GLU A 1 79 ? 9.358 28.765 34.246 1.00 31.82 ? 79 GLU A N 1
1083
+ ATOM 610 C CA . GLU A 1 79 ? 9.458 30.199 34.501 1.00 32.46 ? 79 GLU A CA 1
1084
+ ATOM 611 C C . GLU A 1 79 ? 10.790 30.762 34.011 1.00 32.50 ? 79 GLU A C 1
1085
+ ATOM 612 O O . GLU A 1 79 ? 11.857 30.267 34.402 1.00 33.02 ? 79 GLU A O 1
1086
+ ATOM 613 C CB . GLU A 1 79 ? 9.306 30.509 35.993 1.00 32.14 ? 79 GLU A CB 1
1087
+ ATOM 614 C CG . GLU A 1 79 ? 9.111 32.028 36.346 1.00 32.62 ? 79 GLU A CG 1
1088
+ ATOM 615 C CD . GLU A 1 79 ? 9.482 32.412 37.815 1.00 34.72 ? 79 GLU A CD 1
1089
+ ATOM 616 O OE1 . GLU A 1 79 ? 10.626 32.099 38.310 1.00 35.94 ? 79 GLU A OE1 1
1090
+ ATOM 617 O OE2 . GLU A 1 79 ? 8.628 33.098 38.451 1.00 39.09 ? 79 GLU A OE2 1
1091
+ ATOM 618 N N . ALA A 1 80 ? 10.699 31.805 33.177 1.00 32.41 ? 80 ALA A N 1
1092
+ ATOM 619 C CA . ALA A 1 80 ? 11.835 32.615 32.737 1.00 32.13 ? 80 ALA A CA 1
1093
+ ATOM 620 C C . ALA A 1 80 ? 11.915 33.835 33.684 1.00 32.12 ? 80 ALA A C 1
1094
+ ATOM 621 O O . ALA A 1 80 ? 10.894 34.445 33.980 1.00 32.36 ? 80 ALA A O 1
1095
+ ATOM 622 C CB . ALA A 1 80 ? 11.636 33.058 31.296 1.00 31.58 ? 80 ALA A CB 1
1096
+ ATOM 623 N N . GLU A 1 81 ? 13.097 34.165 34.186 1.00 32.06 ? 81 GLU A N 1
1097
+ ATOM 624 C CA . GLU A 1 81 ? 13.268 35.336 35.051 1.00 32.48 ? 81 GLU A CA 1
1098
+ ATOM 625 C C . GLU A 1 81 ? 14.658 35.965 34.870 1.00 32.23 ? 81 GLU A C 1
1099
+ ATOM 626 O O . GLU A 1 81 ? 15.655 35.268 34.915 1.00 31.28 ? 81 GLU A O 1
1100
+ ATOM 627 C CB . GLU A 1 81 ? 13.002 34.986 36.512 1.00 32.66 ? 81 GLU A CB 1
1101
+ ATOM 628 C CG . GLU A 1 81 ? 12.553 36.169 37.402 1.00 35.50 ? 81 GLU A CG 1
1102
+ ATOM 629 C CD . GLU A 1 81 ? 13.670 37.149 37.857 1.00 39.03 ? 81 GLU A CD 1
1103
+ ATOM 630 O OE1 . GLU A 1 81 ? 14.841 36.713 37.968 1.00 39.78 ? 81 GLU A OE1 1
1104
+ ATOM 631 O OE2 . GLU A 1 81 ? 13.346 38.348 38.136 1.00 40.07 ? 81 GLU A OE2 1
1105
+ ATOM 632 N N . GLY A 1 82 ? 14.690 37.288 34.692 1.00 32.39 ? 82 GLY A N 1
1106
+ ATOM 633 C CA . GLY A 1 82 ? 15.924 38.036 34.404 1.00 32.72 ? 82 GLY A CA 1
1107
+ ATOM 634 C C . GLY A 1 82 ? 15.624 39.152 33.415 1.00 32.91 ? 82 GLY A C 1
1108
+ ATOM 635 O O . GLY A 1 82 ? 14.755 39.978 33.685 1.00 33.56 ? 82 GLY A O 1
1109
+ ATOM 636 N N . PHE A 1 83 ? 16.338 39.169 32.292 1.00 32.45 ? 83 PHE A N 1
1110
+ ATOM 637 C CA . PHE A 1 83 ? 16.139 40.147 31.231 1.00 32.86 ? 83 PHE A CA 1
1111
+ ATOM 638 C C . PHE A 1 83 ? 16.095 39.398 29.914 1.00 33.82 ? 83 PHE A C 1
1112
+ ATOM 639 O O . PHE A 1 83 ? 16.531 38.239 29.840 1.00 34.83 ? 83 PHE A O 1
1113
+ ATOM 640 C CB . PHE A 1 83 ? 17.285 41.168 31.208 1.00 32.18 ? 83 PHE A CB 1
1114
+ ATOM 641 C CG . PHE A 1 83 ? 17.473 41.906 32.517 1.00 32.19 ? 83 PHE A CG 1
1115
+ ATOM 642 C CD1 . PHE A 1 83 ? 16.619 42.965 32.869 1.00 30.95 ? 83 PHE A CD1 1
1116
+ ATOM 643 C CD2 . PHE A 1 83 ? 18.496 41.542 33.408 1.00 30.82 ? 83 PHE A CD2 1
1117
+ ATOM 644 C CE1 . PHE A 1 83 ? 16.781 43.651 34.068 1.00 29.49 ? 83 PHE A CE1 1
1118
+ ATOM 645 C CE2 . PHE A 1 83 ? 18.665 42.221 34.609 1.00 30.36 ? 83 PHE A CE2 1
1119
+ ATOM 646 C CZ . PHE A 1 83 ? 17.805 43.279 34.940 1.00 30.90 ? 83 PHE A CZ 1
1120
+ ATOM 647 N N . ALA A 1 84 ? 15.607 40.057 28.872 1.00 34.08 ? 84 ALA A N 1
1121
+ ATOM 648 C CA . ALA A 1 84 ? 15.494 39.421 27.560 1.00 34.64 ? 84 ALA A CA 1
1122
+ ATOM 649 C C . ALA A 1 84 ? 16.823 38.867 27.030 1.00 35.00 ? 84 ALA A C 1
1123
+ ATOM 650 O O . ALA A 1 84 ? 16.836 37.808 26.403 1.00 35.93 ? 84 ALA A O 1
1124
+ ATOM 651 C CB . ALA A 1 84 ? 14.833 40.356 26.546 1.00 33.54 ? 84 ALA A CB 1
1125
+ ATOM 652 N N . ASP A 1 85 ? 17.938 39.538 27.318 1.00 35.66 ? 85 ASP A N 1
1126
+ ATOM 653 C CA . ASP A 1 85 ? 19.263 39.078 26.829 1.00 35.99 ? 85 ASP A CA 1
1127
+ ATOM 654 C C . ASP A 1 85 ? 20.012 38.158 27.798 1.00 35.71 ? 85 ASP A C 1
1128
+ ATOM 655 O O . ASP A 1 85 ? 21.117 37.738 27.480 1.00 36.35 ? 85 ASP A O 1
1129
+ ATOM 656 C CB . ASP A 1 85 ? 20.144 40.264 26.343 1.00 36.78 ? 85 ASP A CB 1
1130
+ ATOM 657 C CG . ASP A 1 85 ? 20.661 41.168 27.480 1.00 40.20 ? 85 ASP A CG 1
1131
+ ATOM 658 O OD1 . ASP A 1 85 ? 20.128 41.173 28.624 1.00 42.65 ? 85 ASP A OD1 1
1132
+ ATOM 659 O OD2 . ASP A 1 85 ? 21.623 41.926 27.194 1.00 46.56 ? 85 ASP A OD2 1
1133
+ ATOM 660 N N . ALA A 1 86 ? 19.420 37.859 28.959 1.00 34.90 ? 86 ALA A N 1
1134
+ ATOM 661 C CA . ALA A 1 86 ? 20.039 37.004 29.976 1.00 34.44 ? 86 ALA A CA 1
1135
+ ATOM 662 C C . ALA A 1 86 ? 18.996 36.624 31.035 1.00 34.06 ? 86 ALA A C 1
1136
+ ATOM 663 O O . ALA A 1 86 ? 18.747 37.399 31.959 1.00 34.08 ? 86 ALA A O 1
1137
+ ATOM 664 C CB . ALA A 1 86 ? 21.226 37.709 30.622 1.00 33.41 ? 86 ALA A CB 1
1138
+ ATOM 665 N N . TYR A 1 87 ? 18.361 35.460 30.868 1.00 33.86 ? 87 TYR A N 1
1139
+ ATOM 666 C CA . TYR A 1 87 ? 17.314 34.993 31.792 1.00 33.69 ? 87 TYR A CA 1
1140
+ ATOM 667 C C . TYR A 1 87 ? 17.505 33.579 32.202 1.00 33.62 ? 87 TYR A C 1
1141
+ ATOM 668 O O . TYR A 1 87 ? 17.915 32.747 31.408 1.00 33.57 ? 87 TYR A O 1
1142
+ ATOM 669 C CB . TYR A 1 87 ? 15.901 35.119 31.206 1.00 33.42 ? 87 TYR A CB 1
1143
+ ATOM 670 C CG . TYR A 1 87 ? 15.669 34.444 29.883 1.00 32.67 ? 87 TYR A CG 1
1144
+ ATOM 671 C CD1 . TYR A 1 87 ? 15.977 35.093 28.675 1.00 34.12 ? 87 TYR A CD1 1
1145
+ ATOM 672 C CD2 . TYR A 1 87 ? 15.096 33.176 29.809 1.00 33.83 ? 87 TYR A CD2 1
1146
+ ATOM 673 C CE1 . TYR A 1 87 ? 15.734 34.489 27.434 1.00 32.71 ? 87 TYR A CE1 1
1147
+ ATOM 674 C CE2 . TYR A 1 87 ? 14.863 32.547 28.547 1.00 32.84 ? 87 TYR A CE2 1
1148
+ ATOM 675 C CZ . TYR A 1 87 ? 15.176 33.224 27.391 1.00 32.23 ? 87 TYR A CZ 1
1149
+ ATOM 676 O OH . TYR A 1 87 ? 14.985 32.643 26.197 1.00 33.20 ? 87 TYR A OH 1
1150
+ ATOM 677 N N . GLU A 1 88 ? 17.161 33.321 33.455 1.00 34.20 ? 88 GLU A N 1
1151
+ ATOM 678 C CA . GLU A 1 88 ? 17.156 31.984 34.029 1.00 34.85 ? 88 GLU A CA 1
1152
+ ATOM 679 C C . GLU A 1 88 ? 15.911 31.255 33.628 1.00 34.03 ? 88 GLU A C 1
1153
+ ATOM 680 O O . GLU A 1 88 ? 14.910 31.865 33.302 1.00 33.61 ? 88 GLU A O 1
1154
+ ATOM 681 C CB . GLU A 1 88 ? 17.221 32.039 35.563 1.00 35.83 ? 88 GLU A CB 1
1155
+ ATOM 682 C CG . GLU A 1 88 ? 18.571 31.645 36.110 1.00 40.40 ? 88 GLU A CG 1
1156
+ ATOM 683 C CD . GLU A 1 88 ? 19.166 32.681 36.981 1.00 46.46 ? 88 GLU A CD 1
1157
+ ATOM 684 O OE1 . GLU A 1 88 ? 19.655 33.696 36.370 1.00 49.74 ? 88 GLU A OE1 1
1158
+ ATOM 685 O OE2 . GLU A 1 88 ? 19.170 32.458 38.233 1.00 50.64 ? 88 GLU A OE2 1
1159
+ ATOM 686 N N . LEU A 1 89 ? 15.989 29.938 33.681 1.00 33.91 ? 89 LEU A N 1
1160
+ ATOM 687 C CA . LEU A 1 89 ? 14.847 29.065 33.430 1.00 33.78 ? 89 LEU A CA 1
1161
+ ATOM 688 C C . LEU A 1 89 ? 14.695 28.127 34.616 1.00 33.13 ? 89 LEU A C 1
1162
+ ATOM 689 O O . LEU A 1 89 ? 15.649 27.444 34.961 1.00 32.64 ? 89 LEU A O 1
1163
+ ATOM 690 C CB . LEU A 1 89 ? 15.135 28.301 32.160 1.00 34.09 ? 89 LEU A CB 1
1164
+ ATOM 691 C CG . LEU A 1 89 ? 13.989 27.758 31.357 1.00 34.76 ? 89 LEU A CG 1
1165
+ ATOM 692 C CD1 . LEU A 1 89 ? 13.007 28.896 31.017 1.00 33.51 ? 89 LEU A CD1 1
1166
+ ATOM 693 C CD2 . LEU A 1 89 ? 14.627 27.166 30.104 1.00 35.86 ? 89 LEU A CD2 1
1167
+ ATOM 694 N N . ARG A 1 90 ? 13.539 28.151 35.275 1.00 33.31 ? 90 ARG A N 1
1168
+ ATOM 695 C CA . ARG A 1 90 ? 13.208 27.236 36.418 1.00 33.33 ? 90 ARG A CA 1
1169
+ ATOM 696 C C . ARG A 1 90 ? 12.137 26.254 35.960 1.00 31.90 ? 90 ARG A C 1
1170
+ ATOM 697 O O . ARG A 1 90 ? 11.309 26.614 35.148 1.00 31.41 ? 90 ARG A O 1
1171
+ ATOM 698 C CB . ARG A 1 90 ? 12.743 28.024 37.654 1.00 34.34 ? 90 ARG A CB 1
1172
+ ATOM 699 C CG . ARG A 1 90 ? 13.924 28.581 38.527 1.00 37.30 ? 90 ARG A CG 1
1173
+ ATOM 700 C CD . ARG A 1 90 ? 13.569 29.687 39.631 1.00 39.10 ? 90 ARG A CD 1
1174
+ ATOM 701 N NE . ARG A 1 90 ? 14.552 30.826 39.558 1.00 43.81 ? 90 ARG A NE 1
1175
+ ATOM 702 C CZ . ARG A 1 90 ? 14.680 31.706 38.512 1.00 45.50 ? 90 ARG A CZ 1
1176
+ ATOM 703 N NH1 . ARG A 1 90 ? 13.882 31.642 37.386 1.00 46.06 ? 90 ARG A NH1 1
1177
+ ATOM 704 N NH2 . ARG A 1 90 ? 15.619 32.668 38.571 1.00 44.36 ? 90 ARG A NH2 1
1178
+ ATOM 705 N N . LEU A 1 91 ? 12.205 25.002 36.428 1.00 30.78 ? 91 LEU A N 1
1179
+ ATOM 706 C CA . LEU A 1 91 ? 11.240 23.915 36.103 1.00 29.76 ? 91 LEU A CA 1
1180
+ ATOM 707 C C . LEU A 1 91 ? 10.809 23.250 37.371 1.00 28.78 ? 91 LEU A C 1
1181
+ ATOM 708 O O . LEU A 1 91 ? 11.643 22.998 38.229 1.00 28.82 ? 91 LEU A O 1
1182
+ ATOM 709 C CB . LEU A 1 91 ? 11.911 22.828 35.260 1.00 29.28 ? 91 LEU A CB 1
1183
+ ATOM 710 C CG . LEU A 1 91 ? 11.139 21.545 34.939 1.00 29.21 ? 91 LEU A CG 1
1184
+ ATOM 711 C CD1 . LEU A 1 91 ? 9.900 21.862 34.122 1.00 28.01 ? 91 LEU A CD1 1
1185
+ ATOM 712 C CD2 . LEU A 1 91 ? 12.033 20.610 34.204 1.00 29.72 ? 91 LEU A CD2 1
1186
+ ATOM 713 N N . ILE A 1 92 ? 9.524 22.960 37.498 1.00 28.14 ? 92 ILE A N 1
1187
+ ATOM 714 C CA . ILE A 1 92 ? 9.008 22.141 38.602 1.00 28.46 ? 92 ILE A CA 1
1188
+ ATOM 715 C C . ILE A 1 92 ? 8.090 21.119 37.935 1.00 28.57 ? 92 ILE A C 1
1189
+ ATOM 716 O O . ILE A 1 92 ? 7.229 21.492 37.126 1.00 28.67 ? 92 ILE A O 1
1190
+ ATOM 717 C CB . ILE A 1 92 ? 8.313 22.966 39.724 1.00 28.36 ? 92 ILE A CB 1
1191
+ ATOM 718 C CG1 . ILE A 1 92 ? 9.349 23.881 40.389 1.00 28.98 ? 92 ILE A CG1 1
1192
+ ATOM 719 C CG2 . ILE A 1 92 ? 7.672 22.056 40.775 1.00 26.64 ? 92 ILE A CG2 1
1193
+ ATOM 720 C CD1 . ILE A 1 92 ? 8.832 24.751 41.503 1.00 28.58 ? 92 ILE A CD1 1
1194
+ ATOM 721 N N . LEU A 1 93 ? 8.347 19.838 38.206 1.00 29.04 ? 93 LEU A N 1
1195
+ ATOM 722 C CA . LEU A 1 93 ? 7.529 18.715 37.683 1.00 29.15 ? 93 LEU A CA 1
1196
+ ATOM 723 C C . LEU A 1 93 ? 6.359 18.552 38.641 1.00 29.50 ? 93 LEU A C 1
1197
+ ATOM 724 O O . LEU A 1 93 ? 6.537 18.770 39.829 1.00 31.07 ? 93 LEU A O 1
1198
+ ATOM 725 C CB . LEU A 1 93 ? 8.357 17.409 37.565 1.00 28.06 ? 93 LEU A CB 1
1199
+ ATOM 726 C CG . LEU A 1 93 ? 9.593 17.427 36.629 1.00 26.75 ? 93 LEU A CG 1
1200
+ ATOM 727 C CD1 . LEU A 1 93 ? 10.272 16.064 36.621 1.00 25.82 ? 93 LEU A CD1 1
1201
+ ATOM 728 C CD2 . LEU A 1 93 ? 9.283 17.857 35.181 1.00 20.71 ? 93 LEU A CD2 1
1202
+ ATOM 729 N N . ALA A 1 94 ? 5.179 18.186 38.138 1.00 30.19 ? 94 ALA A N 1
1203
+ ATOM 730 C CA . ALA A 1 94 ? 3.959 18.018 38.961 1.00 30.41 ? 94 ALA A CA 1
1204
+ ATOM 731 C C . ALA A 1 94 ? 3.737 16.597 39.479 1.00 30.68 ? 94 ALA A C 1
1205
+ ATOM 732 O O . ALA A 1 94 ? 3.196 16.444 40.562 1.00 30.27 ? 94 ALA A O 1
1206
+ ATOM 733 C CB . ALA A 1 94 ? 2.729 18.470 38.167 1.00 29.48 ? 94 ALA A CB 1
1207
+ ATOM 734 N N . SER A 1 95 ? 4.125 15.581 38.691 1.00 31.85 ? 95 SER A N 1
1208
+ ATOM 735 C CA . SER A 1 95 ? 3.764 14.148 38.926 1.00 32.30 ? 95 SER A CA 1
1209
+ ATOM 736 C C . SER A 1 95 ? 4.836 13.334 39.612 1.00 33.53 ? 95 SER A C 1
1210
+ ATOM 737 O O . SER A 1 95 ? 5.994 13.674 39.537 1.00 33.92 ? 95 SER A O 1
1211
+ ATOM 738 C CB . SER A 1 95 ? 3.526 13.410 37.584 1.00 32.37 ? 95 SER A CB 1
1212
+ ATOM 739 O OG . SER A 1 95 ? 2.656 14.082 36.691 1.00 32.88 ? 95 SER A OG 1
1213
+ ATOM 740 N N . ASP A 1 96 ? 4.432 12.222 40.224 1.00 35.15 ? 96 ASP A N 1
1214
+ ATOM 741 C CA . ASP A 1 96 ? 5.336 11.171 40.761 1.00 36.16 ? 96 ASP A CA 1
1215
+ ATOM 742 C C . ASP A 1 96 ? 6.432 11.756 41.610 1.00 35.69 ? 96 ASP A C 1
1216
+ ATOM 743 O O . ASP A 1 96 ? 6.098 12.571 42.470 1.00 37.06 ? 96 ASP A O 1
1217
+ ATOM 744 C CB . ASP A 1 96 ? 5.822 10.244 39.617 1.00 37.19 ? 96 ASP A CB 1
1218
+ ATOM 745 C CG . ASP A 1 96 ? 4.672 9.438 38.979 1.00 39.00 ? 96 ASP A CG 1
1219
+ ATOM 746 O OD1 . ASP A 1 96 ? 3.849 8.866 39.741 1.00 41.59 ? 96 ASP A OD1 1
1220
+ ATOM 747 O OD2 . ASP A 1 96 ? 4.610 9.369 37.722 1.00 43.01 ? 96 ASP A OD2 1
1221
+ ATOM 748 N N . ARG A 1 97 ? 7.702 11.391 41.421 1.00 34.55 ? 97 ARG A N 1
1222
+ ATOM 749 C CA . ARG A 1 97 ? 8.773 12.046 42.198 1.00 33.59 ? 97 ARG A CA 1
1223
+ ATOM 750 C C . ARG A 1 97 ? 8.952 13.456 41.615 1.00 32.65 ? 97 ARG A C 1
1224
+ ATOM 751 O O . ARG A 1 97 ? 9.372 13.604 40.475 1.00 32.47 ? 97 ARG A O 1
1225
+ ATOM 752 C CB . ARG A 1 97 ? 10.071 11.227 42.175 1.00 33.49 ? 97 ARG A CB 1
1226
+ ATOM 753 C CG . ARG A 1 97 ? 11.324 12.009 42.450 1.00 32.96 ? 97 ARG A CG 1
1227
+ ATOM 754 C CD . ARG A 1 97 ? 12.503 11.160 42.301 1.00 32.74 ? 97 ARG A CD 1
1228
+ ATOM 755 N NE . ARG A 1 97 ? 12.671 10.448 43.527 1.00 33.25 ? 97 ARG A NE 1
1229
+ ATOM 756 C CZ . ARG A 1 97 ? 12.701 9.145 43.703 1.00 32.92 ? 97 ARG A CZ 1
1230
+ ATOM 757 N NH1 . ARG A 1 97 ? 12.689 8.250 42.727 1.00 33.90 ? 97 ARG A NH1 1
1231
+ ATOM 758 N NH2 . ARG A 1 97 ? 12.833 8.737 44.925 1.00 32.98 ? 97 ARG A NH2 1
1232
+ ATOM 759 N N . ARG A 1 98 ? 8.621 14.488 42.385 1.00 31.67 ? 98 ARG A N 1
1233
+ ATOM 760 C CA . ARG A 1 98 ? 8.733 15.864 41.876 1.00 30.30 ? 98 ARG A CA 1
1234
+ ATOM 761 C C . ARG A 1 98 ? 10.198 16.303 42.008 1.00 29.51 ? 98 ARG A C 1
1235
+ ATOM 762 O O . ARG A 1 98 ? 10.937 15.825 42.886 1.00 29.15 ? 98 ARG A O 1
1236
+ ATOM 763 C CB . ARG A 1 98 ? 7.786 16.812 42.608 1.00 30.32 ? 98 ARG A CB 1
1237
+ ATOM 764 C CG . ARG A 1 98 ? 6.311 16.356 42.674 1.00 30.20 ? 98 ARG A CG 1
1238
+ ATOM 765 C CD . ARG A 1 98 ? 5.467 17.384 43.414 1.00 30.24 ? 98 ARG A CD 1
1239
+ ATOM 766 N NE . ARG A 1 98 ? 5.377 18.617 42.622 1.00 31.53 ? 98 ARG A NE 1
1240
+ ATOM 767 C CZ . ARG A 1 98 ? 4.886 19.780 43.060 1.00 31.91 ? 98 ARG A CZ 1
1241
+ ATOM 768 N NH1 . ARG A 1 98 ? 4.389 19.909 44.298 1.00 31.29 ? 98 ARG A NH1 1
1242
+ ATOM 769 N NH2 . ARG A 1 98 ? 4.851 20.823 42.230 1.00 31.31 ? 98 ARG A NH2 1
1243
+ ATOM 770 N N . VAL A 1 99 ? 10.611 17.178 41.104 1.00 28.56 ? 99 VAL A N 1
1244
+ ATOM 771 C CA . VAL A 1 99 ? 11.974 17.698 41.036 1.00 28.10 ? 99 VAL A CA 1
1245
+ ATOM 772 C C . VAL A 1 99 ? 11.864 19.152 40.675 1.00 28.56 ? 99 VAL A C 1
1246
+ ATOM 773 O O . VAL A 1 99 ? 11.008 19.508 39.852 1.00 28.30 ? 99 VAL A O 1
1247
+ ATOM 774 C CB . VAL A 1 99 ? 12.824 16.978 39.931 1.00 27.69 ? 99 VAL A CB 1
1248
+ ATOM 775 C CG1 . VAL A 1 99 ? 14.169 17.605 39.764 1.00 24.30 ? 99 VAL A CG1 1
1249
+ ATOM 776 C CG2 . VAL A 1 99 ? 12.982 15.488 40.270 1.00 27.23 ? 99 VAL A CG2 1
1250
+ ATOM 777 N N . GLU A 1 100 ? 12.706 19.976 41.292 1.00 28.89 ? 100 GLU A N 1
1251
+ ATOM 778 C CA . GLU A 1 100 ? 12.823 21.386 40.975 1.00 29.31 ? 100 GLU A CA 1
1252
+ ATOM 779 C C . GLU A 1 100 ? 14.188 21.525 40.290 1.00 29.16 ? 100 GLU A C 1
1253
+ ATOM 780 O O . GLU A 1 100 ? 15.197 20.968 40.766 1.00 28.02 ? 100 GLU A O 1
1254
+ ATOM 781 C CB . GLU A 1 100 ? 12.730 22.219 42.236 1.00 29.43 ? 100 GLU A CB 1
1255
+ ATOM 782 C CG . GLU A 1 100 ? 13.064 23.719 42.081 1.00 30.62 ? 100 GLU A CG 1
1256
+ ATOM 783 C CD . GLU A 1 100 ? 13.109 24.466 43.434 1.00 32.45 ? 100 GLU A CD 1
1257
+ ATOM 784 O OE1 . GLU A 1 100 ? 12.512 23.969 44.449 1.00 34.39 ? 100 GLU A OE1 1
1258
+ ATOM 785 O OE2 . GLU A 1 100 ? 13.725 25.567 43.478 1.00 35.89 ? 100 GLU A OE2 1
1259
+ ATOM 786 N N . ALA A 1 101 ? 14.196 22.233 39.164 1.00 29.37 ? 101 ALA A N 1
1260
+ ATOM 787 C CA . ALA A 1 101 ? 15.404 22.423 38.372 1.00 30.71 ? 101 ALA A CA 1
1261
+ ATOM 788 C C . ALA A 1 101 ? 15.571 23.865 37.989 1.00 31.53 ? 101 ALA A C 1
1262
+ ATOM 789 O O . ALA A 1 101 ? 14.599 24.608 37.887 1.00 32.28 ? 101 ALA A O 1
1263
+ ATOM 790 C CB . ALA A 1 101 ? 15.401 21.551 37.120 1.00 29.52 ? 101 ALA A CB 1
1264
+ ATOM 791 N N . CYS A 1 102 ? 16.813 24.247 37.738 1.00 32.68 ? 102 CYS A N 1
1265
+ ATOM 792 C CA . CYS A 1 102 ? 17.112 25.589 37.334 1.00 32.75 ? 102 CYS A CA 1
1266
+ ATOM 793 C C . CYS A 1 102 ? 18.374 25.727 36.448 1.00 32.48 ? 102 CYS A C 1
1267
+ ATOM 794 O O . CYS A 1 102 ? 19.439 25.221 36.773 1.00 33.38 ? 102 CYS A O 1
1268
+ ATOM 795 C CB . CYS A 1 102 ? 17.242 26.388 38.595 1.00 33.40 ? 102 CYS A CB 1
1269
+ ATOM 796 S SG . CYS A 1 102 ? 17.708 28.098 38.304 1.00 36.88 ? 102 CYS A SG 1
1270
+ ATOM 797 N N . TRP A 1 103 ? 18.250 26.425 35.332 1.00 32.25 ? 103 TRP A N 1
1271
+ ATOM 798 C CA . TRP A 1 103 ? 19.405 26.694 34.435 1.00 31.77 ? 103 TRP A CA 1
1272
+ ATOM 799 C C . TRP A 1 103 ? 19.822 28.158 34.485 1.00 31.84 ? 103 TRP A C 1
1273
+ ATOM 800 O O . TRP A 1 103 ? 18.985 29.045 34.222 1.00 31.24 ? 103 TRP A O 1
1274
+ ATOM 801 C CB . TRP A 1 103 ? 19.081 26.348 33.012 1.00 30.54 ? 103 TRP A CB 1
1275
+ ATOM 802 C CG . TRP A 1 103 ? 19.009 24.918 32.772 1.00 30.20 ? 103 TRP A CG 1
1276
+ ATOM 803 C CD1 . TRP A 1 103 ? 19.998 24.130 32.298 1.00 29.99 ? 103 TRP A CD1 1
1277
+ ATOM 804 C CD2 . TRP A 1 103 ? 17.880 24.072 32.988 1.00 30.51 ? 103 TRP A CD2 1
1278
+ ATOM 805 N NE1 . TRP A 1 103 ? 19.563 22.841 32.189 1.00 30.17 ? 103 TRP A NE1 1
1279
+ ATOM 806 C CE2 . TRP A 1 103 ? 18.262 22.772 32.604 1.00 30.94 ? 103 TRP A CE2 1
1280
+ ATOM 807 C CE3 . TRP A 1 103 ? 16.580 24.285 33.474 1.00 29.35 ? 103 TRP A CE3 1
1281
+ ATOM 808 C CZ2 . TRP A 1 103 ? 17.395 21.686 32.688 1.00 30.21 ? 103 TRP A CZ2 1
1282
+ ATOM 809 C CZ3 . TRP A 1 103 ? 15.708 23.213 33.529 1.00 29.65 ? 103 TRP A CZ3 1
1283
+ ATOM 810 C CH2 . TRP A 1 103 ? 16.117 21.930 33.139 1.00 30.17 ? 103 TRP A CH2 1
1284
+ ATOM 811 N N . PRO A 1 104 ? 21.098 28.428 34.825 1.00 32.37 ? 104 PRO A N 1
1285
+ ATOM 812 C CA . PRO A 1 104 ? 21.573 29.818 34.739 1.00 32.35 ? 104 PRO A CA 1
1286
+ ATOM 813 C C . PRO A 1 104 ? 21.450 30.392 33.349 1.00 31.71 ? 104 PRO A C 1
1287
+ ATOM 814 O O . PRO A 1 104 ? 21.423 29.658 32.378 1.00 31.84 ? 104 PRO A O 1
1288
+ ATOM 815 C CB . PRO A 1 104 ? 23.055 29.737 35.165 1.00 32.52 ? 104 PRO A CB 1
1289
+ ATOM 816 C CG . PRO A 1 104 ? 23.412 28.310 35.098 1.00 34.02 ? 104 PRO A CG 1
1290
+ ATOM 817 C CD . PRO A 1 104 ? 22.152 27.534 35.351 1.00 33.33 ? 104 PRO A CD 1
1291
+ ATOM 818 N N . ALA A 1 105 ? 21.380 31.713 33.283 1.00 31.64 ? 105 ALA A N 1
1292
+ ATOM 819 C CA . ALA A 1 105 ? 21.215 32.448 32.052 1.00 30.51 ? 105 ALA A CA 1
1293
+ ATOM 820 C C . ALA A 1 105 ? 22.205 32.036 30.966 1.00 30.41 ? 105 ALA A C 1
1294
+ ATOM 821 O O . ALA A 1 105 ? 21.852 31.988 29.760 1.00 30.37 ? 105 ALA A O 1
1295
+ ATOM 822 C CB . ALA A 1 105 ? 21.329 33.928 32.350 1.00 30.03 ? 105 ALA A CB 1
1296
+ ATOM 823 N N . ALA A 1 106 ? 23.439 31.743 31.386 1.00 29.83 ? 106 ALA A N 1
1297
+ ATOM 824 C CA . ALA A 1 106 ? 24.517 31.367 30.449 1.00 29.61 ? 106 ALA A CA 1
1298
+ ATOM 825 C C . ALA A 1 106 ? 24.143 30.133 29.632 1.00 29.24 ? 106 ALA A C 1
1299
+ ATOM 826 O O . ALA A 1 106 ? 24.393 30.096 28.451 1.00 29.72 ? 106 ALA A O 1
1300
+ ATOM 827 C CB . ALA A 1 106 ? 25.845 31.137 31.202 1.00 28.48 ? 106 ALA A CB 1
1301
+ ATOM 828 N N . ALA A 1 107 ? 23.508 29.161 30.279 1.00 29.28 ? 107 ALA A N 1
1302
+ ATOM 829 C CA . ALA A 1 107 ? 23.173 27.860 29.687 1.00 28.88 ? 107 ALA A CA 1
1303
+ ATOM 830 C C . ALA A 1 107 ? 21.910 27.840 28.835 1.00 28.49 ? 107 ALA A C 1
1304
+ ATOM 831 O O . ALA A 1 107 ? 21.779 27.003 27.947 1.00 28.45 ? 107 ALA A O 1
1305
+ ATOM 832 C CB . ALA A 1 107 ? 23.045 26.800 30.822 1.00 28.40 ? 107 ALA A CB 1
1306
+ ATOM 833 N N . VAL A 1 108 ? 20.989 28.749 29.106 1.00 28.52 ? 108 VAL A N 1
1307
+ ATOM 834 C CA . VAL A 1 108 ? 19.643 28.705 28.513 1.00 28.57 ? 108 VAL A CA 1
1308
+ ATOM 835 C C . VAL A 1 108 ? 19.543 28.670 26.971 1.00 29.50 ? 108 VAL A C 1
1309
+ ATOM 836 O O . VAL A 1 108 ? 18.861 27.786 26.427 1.00 31.08 ? 108 VAL A O 1
1310
+ ATOM 837 C CB . VAL A 1 108 ? 18.750 29.813 29.126 1.00 28.24 ? 108 VAL A CB 1
1311
+ ATOM 838 C CG1 . VAL A 1 108 ? 17.481 30.005 28.302 1.00 26.74 ? 108 VAL A CG1 1
1312
+ ATOM 839 C CG2 . VAL A 1 108 ? 18.462 29.465 30.596 1.00 24.62 ? 108 VAL A CG2 1
1313
+ ATOM 840 N N . PRO A 1 109 ? 20.187 29.614 26.262 1.00 29.43 ? 109 PRO A N 1
1314
+ ATOM 841 C CA . PRO A 1 109 ? 20.104 29.572 24.796 1.00 29.69 ? 109 PRO A CA 1
1315
+ ATOM 842 C C . PRO A 1 109 ? 20.539 28.265 24.135 1.00 29.97 ? 109 PRO A C 1
1316
+ ATOM 843 O O . PRO A 1 109 ? 19.900 27.863 23.149 1.00 30.14 ? 109 PRO A O 1
1317
+ ATOM 844 C CB . PRO A 1 109 ? 21.031 30.723 24.338 1.00 29.48 ? 109 PRO A CB 1
1318
+ ATOM 845 C CG . PRO A 1 109 ? 21.142 31.607 25.527 1.00 29.85 ? 109 PRO A CG 1
1319
+ ATOM 846 C CD . PRO A 1 109 ? 20.988 30.759 26.732 1.00 29.89 ? 109 PRO A CD 1
1320
+ ATOM 847 N N . ALA A 1 110 ? 21.601 27.618 24.643 1.00 29.58 ? 110 ALA A N 1
1321
+ ATOM 848 C CA . ALA A 1 110 ? 22.067 26.364 24.018 1.00 29.37 ? 110 ALA A CA 1
1322
+ ATOM 849 C C . ALA A 1 110 ? 21.036 25.256 24.296 1.00 29.42 ? 110 ALA A C 1
1323
+ ATOM 850 O O . ALA A 1 110 ? 20.672 24.514 23.366 1.00 29.50 ? 110 ALA A O 1
1324
+ ATOM 851 C CB . ALA A 1 110 ? 23.458 25.985 24.462 1.00 28.70 ? 110 ALA A CB 1
1325
+ ATOM 852 N N . LEU A 1 111 ? 20.518 25.204 25.530 1.00 29.02 ? 111 LEU A N 1
1326
+ ATOM 853 C CA . LEU A 1 111 ? 19.437 24.266 25.894 1.00 29.58 ? 111 LEU A CA 1
1327
+ ATOM 854 C C . LEU A 1 111 ? 18.205 24.446 25.010 1.00 30.74 ? 111 LEU A C 1
1328
+ ATOM 855 O O . LEU A 1 111 ? 17.663 23.455 24.491 1.00 32.13 ? 111 LEU A O 1
1329
+ ATOM 856 C CB . LEU A 1 111 ? 19.008 24.441 27.351 1.00 29.61 ? 111 LEU A CB 1
1330
+ ATOM 857 C CG . LEU A 1 111 ? 17.887 23.576 27.949 1.00 29.03 ? 111 LEU A CG 1
1331
+ ATOM 858 C CD1 . LEU A 1 111 ? 18.296 22.100 27.992 1.00 28.37 ? 111 LEU A CD1 1
1332
+ ATOM 859 C CD2 . LEU A 1 111 ? 17.565 24.081 29.351 1.00 28.65 ? 111 LEU A CD2 1
1333
+ ATOM 860 N N . VAL A 1 112 ? 17.766 25.698 24.834 1.00 31.02 ? 112 VAL A N 1
1334
+ ATOM 861 C CA . VAL A 1 112 ? 16.605 26.007 23.975 1.00 30.50 ? 112 VAL A CA 1
1335
+ ATOM 862 C C . VAL A 1 112 ? 16.845 25.522 22.567 1.00 30.56 ? 112 VAL A C 1
1336
+ ATOM 863 O O . VAL A 1 112 ? 15.987 24.848 22.007 1.00 31.29 ? 112 VAL A O 1
1337
+ ATOM 864 C CB . VAL A 1 112 ? 16.265 27.515 23.985 1.00 30.75 ? 112 VAL A CB 1
1338
+ ATOM 865 C CG1 . VAL A 1 112 ? 15.212 27.860 22.926 1.00 28.84 ? 112 VAL A CG1 1
1339
+ ATOM 866 C CG2 . VAL A 1 112 ? 15.793 27.905 25.395 1.00 29.40 ? 112 VAL A CG2 1
1340
+ ATOM 867 N N . ALA A 1 113 ? 18.013 25.837 22.010 1.00 30.69 ? 113 ALA A N 1
1341
+ ATOM 868 C CA . ALA A 1 113 ? 18.419 25.322 20.674 1.00 30.61 ? 113 ALA A CA 1
1342
+ ATOM 869 C C . ALA A 1 113 ? 18.416 23.787 20.633 1.00 31.02 ? 113 ALA A C 1
1343
+ ATOM 870 O O . ALA A 1 113 ? 18.010 23.195 19.624 1.00 31.86 ? 113 ALA A O 1
1344
+ ATOM 871 C CB . ALA A 1 113 ? 19.791 25.843 20.281 1.00 29.53 ? 113 ALA A CB 1
1345
+ ATOM 872 N N . ALA A 1 114 ? 18.854 23.151 21.729 1.00 31.21 ? 114 ALA A N 1
1346
+ ATOM 873 C CA . ALA A 1 114 ? 18.881 21.674 21.832 1.00 31.20 ? 114 ALA A CA 1
1347
+ ATOM 874 C C . ALA A 1 114 ? 17.496 21.041 21.711 1.00 31.21 ? 114 ALA A C 1
1348
+ ATOM 875 O O . ALA A 1 114 ? 17.343 20.074 20.988 1.00 31.80 ? 114 ALA A O 1
1349
+ ATOM 876 C CB . ALA A 1 114 ? 19.549 21.236 23.119 1.00 31.00 ? 114 ALA A CB 1
1350
+ ATOM 877 N N . THR A 1 115 ? 16.493 21.632 22.362 1.00 31.09 ? 115 THR A N 1
1351
+ ATOM 878 C CA . THR A 1 115 ? 15.097 21.165 22.273 1.00 31.35 ? 115 THR A CA 1
1352
+ ATOM 879 C C . THR A 1 115 ? 14.520 21.121 20.822 1.00 32.12 ? 115 THR A C 1
1353
+ ATOM 880 O O . THR A 1 115 ? 13.614 20.327 20.529 1.00 32.13 ? 115 THR A O 1
1354
+ ATOM 881 C CB . THR A 1 115 ? 14.134 22.016 23.149 1.00 31.00 ? 115 THR A CB 1
1355
+ ATOM 882 O OG1 . THR A 1 115 ? 13.902 23.277 22.527 1.00 30.30 ? 115 THR A OG1 1
1356
+ ATOM 883 C CG2 . THR A 1 115 ? 14.653 22.220 24.620 1.00 29.74 ? 115 THR A CG2 1
1357
+ ATOM 884 N N . HIS A 1 116 ? 15.024 21.979 19.932 1.00 32.80 ? 116 HIS A N 1
1358
+ ATOM 885 C CA . HIS A 1 116 ? 14.625 21.935 18.503 1.00 33.95 ? 116 HIS A CA 1
1359
+ ATOM 886 C C . HIS A 1 116 ? 15.204 20.724 17.755 1.00 34.86 ? 116 HIS A C 1
1360
+ ATOM 887 O O . HIS A 1 116 ? 14.674 20.359 16.691 1.00 34.91 ? 116 HIS A O 1
1361
+ ATOM 888 C CB . HIS A 1 116 ? 14.998 23.225 17.752 1.00 33.47 ? 116 HIS A CB 1
1362
+ ATOM 889 C CG . HIS A 1 116 ? 14.191 24.410 18.161 1.00 32.65 ? 116 HIS A CG 1
1363
+ ATOM 890 N ND1 . HIS A 1 116 ? 12.927 24.649 17.672 1.00 31.86 ? 116 HIS A ND1 1
1364
+ ATOM 891 C CD2 . HIS A 1 116 ? 14.462 25.420 19.023 1.00 34.39 ? 116 HIS A CD2 1
1365
+ ATOM 892 C CE1 . HIS A 1 116 ? 12.455 25.761 18.209 1.00 33.92 ? 116 HIS A CE1 1
1366
+ ATOM 893 N NE2 . HIS A 1 116 ? 13.364 26.246 19.041 1.00 34.38 ? 116 HIS A NE2 1
1367
+ ATOM 894 N N . THR A 1 117 ? 16.269 20.111 18.301 1.00 36.05 ? 117 THR A N 1
1368
+ ATOM 895 C CA . THR A 1 117 ? 16.868 18.910 17.700 1.00 37.05 ? 117 THR A CA 1
1369
+ ATOM 896 C C . THR A 1 117 ? 16.076 17.619 18.050 1.00 38.30 ? 117 THR A C 1
1370
+ ATOM 897 O O . THR A 1 117 ? 16.497 16.528 17.674 1.00 38.32 ? 117 THR A O 1
1371
+ ATOM 898 C CB . THR A 1 117 ? 18.384 18.762 18.030 1.00 36.89 ? 117 THR A CB 1
1372
+ ATOM 899 O OG1 . THR A 1 117 ? 18.554 18.392 19.396 1.00 35.87 ? 117 THR A OG1 1
1373
+ ATOM 900 C CG2 . THR A 1 117 ? 19.164 20.061 17.714 1.00 36.28 ? 117 THR A CG2 1
1374
+ ATOM 901 N N . LEU A 1 118 ? 14.966 17.737 18.792 1.00 39.51 ? 118 LEU A N 1
1375
+ ATOM 902 C CA . LEU A 1 118 ? 14.010 16.642 18.960 1.00 40.41 ? 118 LEU A CA 1
1376
+ ATOM 903 C C . LEU A 1 118 ? 12.856 17.003 18.001 1.00 42.00 ? 118 LEU A C 1
1377
+ ATOM 904 O O . LEU A 1 118 ? 11.790 17.486 18.434 1.00 42.05 ? 118 LEU A O 1
1378
+ ATOM 905 C CB . LEU A 1 118 ? 13.609 16.468 20.450 1.00 40.52 ? 118 LEU A CB 1
1379
+ ATOM 906 C CG . LEU A 1 118 ? 14.586 15.650 21.339 1.00 39.76 ? 118 LEU A CG 1
1380
+ ATOM 907 C CD1 . LEU A 1 118 ? 16.065 15.737 20.886 1.00 38.78 ? 118 LEU A CD1 1
1381
+ ATOM 908 C CD2 . LEU A 1 118 ? 14.458 15.988 22.834 1.00 39.33 ? 118 LEU A CD2 1
1382
+ ATOM 909 N N . LYS A 1 119 ? 13.127 16.791 16.688 1.00 43.51 ? 119 LYS A N 1
1383
+ ATOM 910 C CA . LYS A 1 119 ? 12.218 17.141 15.554 1.00 44.00 ? 119 LYS A CA 1
1384
+ ATOM 911 C C . LYS A 1 119 ? 10.944 16.250 15.374 1.00 45.27 ? 119 LYS A C 1
1385
+ ATOM 912 O O . LYS A 1 119 ? 10.065 16.591 14.576 1.00 45.76 ? 119 LYS A O 1
1386
+ ATOM 913 C CB . LYS A 1 119 ? 13.007 17.295 14.221 1.00 43.86 ? 119 LYS A CB 1
1387
+ ATOM 914 C CG . LYS A 1 119 ? 13.816 18.588 14.103 1.00 43.24 ? 119 LYS A CG 1
1388
+ ATOM 915 N N . GLY A 1 120 ? 10.839 15.137 16.113 1.00 46.34 ? 120 GLY A N 1
1389
+ ATOM 916 C CA . GLY A 1 120 ? 9.596 14.339 16.232 1.00 46.78 ? 120 GLY A CA 1
1390
+ ATOM 917 C C . GLY A 1 120 ? 8.764 14.979 17.365 1.00 47.96 ? 120 GLY A C 1
1391
+ ATOM 918 O O . GLY A 1 120 ? 9.168 16.040 17.923 1.00 48.18 ? 120 GLY A O 1
1392
+ ATOM 919 N N . PHE A 1 121 ? 7.660 14.307 17.746 1.00 48.36 ? 121 PHE A N 1
1393
+ ATOM 920 C CA . PHE A 1 121 ? 6.572 14.799 18.692 1.00 48.49 ? 121 PHE A CA 1
1394
+ ATOM 921 C C . PHE A 1 121 ? 5.431 15.386 17.811 1.00 49.08 ? 121 PHE A C 1
1395
+ ATOM 922 O O . PHE A 1 121 ? 5.102 16.587 17.864 1.00 49.36 ? 121 PHE A O 1
1396
+ ATOM 923 C CB . PHE A 1 121 ? 6.954 15.847 19.810 1.00 48.00 ? 121 PHE A CB 1
1397
+ ATOM 924 C CG . PHE A 1 121 ? 7.958 15.366 20.855 1.00 48.59 ? 121 PHE A CG 1
1398
+ ATOM 925 C CD1 . PHE A 1 121 ? 7.698 14.232 21.651 1.00 48.76 ? 121 PHE A CD1 1
1399
+ ATOM 926 C CD2 . PHE A 1 121 ? 9.136 16.105 21.114 1.00 47.77 ? 121 PHE A CD2 1
1400
+ ATOM 927 C CE1 . PHE A 1 121 ? 8.630 13.808 22.639 1.00 47.04 ? 121 PHE A CE1 1
1401
+ ATOM 928 C CE2 . PHE A 1 121 ? 10.065 15.676 22.085 1.00 46.67 ? 121 PHE A CE2 1
1402
+ ATOM 929 C CZ . PHE A 1 121 ? 9.807 14.527 22.843 1.00 46.49 ? 121 PHE A CZ 1
1403
+ ATOM 930 O OXT . PHE A 1 121 ? 4.810 14.678 16.991 1.00 49.73 ? 121 PHE A OXT 1
1404
+ #
1405
+ loop_
1406
+ _pdbx_audit_revision_history.ordinal
1407
+ _pdbx_audit_revision_history.data_content_type
1408
+ _pdbx_audit_revision_history.major_revision
1409
+ _pdbx_audit_revision_history.minor_revision
1410
+ _pdbx_audit_revision_history.revision_date
1411
+ 1 'Structure model' 1 0 2006-12-12
1412
+ 2 'Structure model' 1 1 2008-05-01
1413
+ 3 'Structure model' 1 2 2011-07-13
1414
+ 4 'Structure model' 1 3 2017-10-18
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+ 5 'Structure model' 1 4 2023-01-25
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+ #
mmcifs/2NVO_A.cif ADDED
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mmcifs/2NVW_A.cif ADDED
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mmcifs/2NW8_A.cif ADDED
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mmcifs/2NWF_A.cif ADDED
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mmcifs/2NWH_A.cif ADDED
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mmcifs/2NWI_A.cif ADDED
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mmcifs/2NWR_A.cif ADDED
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mmcifs/2NX2_A.cif ADDED
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mmcifs/2NX4_A.cif ADDED
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mmcifs/2NX9_A.cif ADDED
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mmcifs/2NXF_A.cif ADDED
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mmcifs/2NXP_A.cif ADDED
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mmcifs/2NXV_A.cif ADDED
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mmcifs/2NXW_A.cif ADDED
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mmcifs/2NYA_A.cif ADDED
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mmcifs/2NYI_A.cif ADDED
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