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LindertLab
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DMS-Fold2-Training-Dataset

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1
+ data_1K1V_A
2
+ #
3
+ _pdbx_database_status.entry_id 1K1V_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 LTDEELVTMSVRELNQHLRGLSKEEIIQLKQRRRTLKNRGY
21
+ _entity_poly.pdbx_seq_one_letter_code_can LTDEELVTMSVRELNQHLRGLSKEEIIQLKQRRRTLKNRGY
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 LEU n
31
+ 1 2 THR n
32
+ 1 3 ASP n
33
+ 1 4 GLU n
34
+ 1 5 GLU n
35
+ 1 6 LEU n
36
+ 1 7 VAL n
37
+ 1 8 THR n
38
+ 1 9 MET n
39
+ 1 10 SER n
40
+ 1 11 VAL n
41
+ 1 12 ARG n
42
+ 1 13 GLU n
43
+ 1 14 LEU n
44
+ 1 15 ASN n
45
+ 1 16 GLN n
46
+ 1 17 HIS n
47
+ 1 18 LEU n
48
+ 1 19 ARG n
49
+ 1 20 GLY n
50
+ 1 21 LEU n
51
+ 1 22 SER n
52
+ 1 23 LYS n
53
+ 1 24 GLU n
54
+ 1 25 GLU n
55
+ 1 26 ILE n
56
+ 1 27 ILE n
57
+ 1 28 GLN n
58
+ 1 29 LEU n
59
+ 1 30 LYS n
60
+ 1 31 GLN n
61
+ 1 32 ARG n
62
+ 1 33 ARG n
63
+ 1 34 ARG n
64
+ 1 35 THR n
65
+ 1 36 LEU n
66
+ 1 37 LYS n
67
+ 1 38 ASN n
68
+ 1 39 ARG n
69
+ 1 40 GLY n
70
+ 1 41 TYR n
71
+ #
72
+ _entity.id 1
73
+ _entity.type polymer
74
+ _entity.src_method man
75
+ _entity.pdbx_description ?
76
+ _entity.formula_weight 4962.735
77
+ _entity.pdbx_number_of_molecules 1
78
+ _entity.pdbx_ec ?
79
+ _entity.pdbx_mutation ?
80
+ _entity.pdbx_fragment ?
81
+ _entity.details ?
82
+ #
83
+ loop_
84
+ _pdbx_poly_seq_scheme.asym_id
85
+ _pdbx_poly_seq_scheme.entity_id
86
+ _pdbx_poly_seq_scheme.seq_id
87
+ _pdbx_poly_seq_scheme.mon_id
88
+ _pdbx_poly_seq_scheme.ndb_seq_num
89
+ _pdbx_poly_seq_scheme.pdb_seq_num
90
+ _pdbx_poly_seq_scheme.auth_seq_num
91
+ _pdbx_poly_seq_scheme.pdb_mon_id
92
+ _pdbx_poly_seq_scheme.auth_mon_id
93
+ _pdbx_poly_seq_scheme.pdb_strand_id
94
+ _pdbx_poly_seq_scheme.pdb_ins_code
95
+ _pdbx_poly_seq_scheme.hetero
96
+ A 1 1 LEU 1 1 1 LEU LEU A . n
97
+ A 1 2 THR 2 2 2 THR THR A . n
98
+ A 1 3 ASP 3 3 3 ASP ASP A . n
99
+ A 1 4 GLU 4 4 4 GLU GLU A . n
100
+ A 1 5 GLU 5 5 5 GLU GLU A . n
101
+ A 1 6 LEU 6 6 6 LEU LEU A . n
102
+ A 1 7 VAL 7 7 7 VAL VAL A . n
103
+ A 1 8 THR 8 8 8 THR THR A . n
104
+ A 1 9 MET 9 9 9 MET MET A . n
105
+ A 1 10 SER 10 10 10 SER SER A . n
106
+ A 1 11 VAL 11 11 11 VAL VAL A . n
107
+ A 1 12 ARG 12 12 12 ARG ARG A . n
108
+ A 1 13 GLU 13 13 13 GLU GLU A . n
109
+ A 1 14 LEU 14 14 14 LEU LEU A . n
110
+ A 1 15 ASN 15 15 15 ASN ASN A . n
111
+ A 1 16 GLN 16 16 16 GLN GLN A . n
112
+ A 1 17 HIS 17 17 17 HIS HIS A . n
113
+ A 1 18 LEU 18 18 18 LEU LEU A . n
114
+ A 1 19 ARG 19 19 19 ARG ARG A . n
115
+ A 1 20 GLY 20 20 20 GLY GLY A . n
116
+ A 1 21 LEU 21 21 21 LEU LEU A . n
117
+ A 1 22 SER 22 22 22 SER SER A . n
118
+ A 1 23 LYS 23 23 23 LYS LYS A . n
119
+ A 1 24 GLU 24 24 24 GLU GLU A . n
120
+ A 1 25 GLU 25 25 25 GLU GLU A . n
121
+ A 1 26 ILE 26 26 26 ILE ILE A . n
122
+ A 1 27 ILE 27 27 27 ILE ILE A . n
123
+ A 1 28 GLN 28 28 28 GLN GLN A . n
124
+ A 1 29 LEU 29 29 29 LEU LEU A . n
125
+ A 1 30 LYS 30 30 30 LYS LYS A . n
126
+ A 1 31 GLN 31 31 31 GLN GLN A . n
127
+ A 1 32 ARG 32 32 32 ARG ARG A . n
128
+ A 1 33 ARG 33 33 33 ARG ARG A . n
129
+ A 1 34 ARG 34 34 34 ARG ARG A . n
130
+ A 1 35 THR 35 35 35 THR THR A . n
131
+ A 1 36 LEU 36 36 36 LEU LEU A . n
132
+ A 1 37 LYS 37 37 37 LYS LYS A . n
133
+ A 1 38 ASN 38 38 38 ASN ASN A . n
134
+ A 1 39 ARG 39 39 39 ARG ARG A . n
135
+ A 1 40 GLY 40 40 40 GLY GLY A . n
136
+ A 1 41 TYR 41 41 41 TYR TYR A . n
137
+ #
138
+ loop_
139
+ _chem_comp.id
140
+ _chem_comp.type
141
+ _chem_comp.mon_nstd_flag
142
+ _chem_comp.name
143
+ _chem_comp.pdbx_synonyms
144
+ _chem_comp.formula
145
+ _chem_comp.formula_weight
146
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
147
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
148
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
149
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
150
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
151
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
152
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
153
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
154
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
155
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
156
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
157
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
158
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
159
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
160
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
161
+ #
162
+ _struct_asym.id A
163
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
164
+ _struct_asym.pdbx_modified N
165
+ _struct_asym.entity_id 1
166
+ _struct_asym.details ?
167
+ #
168
+ _atom_sites.entry_id 1K1V_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_close_contact.id 1
183
+ _pdbx_validate_close_contact.PDB_model_num 1
184
+ _pdbx_validate_close_contact.auth_atom_id_1 O
185
+ _pdbx_validate_close_contact.auth_asym_id_1 A
186
+ _pdbx_validate_close_contact.auth_comp_id_1 LEU
187
+ _pdbx_validate_close_contact.auth_seq_id_1 18
188
+ _pdbx_validate_close_contact.PDB_ins_code_1 ?
189
+ _pdbx_validate_close_contact.label_alt_id_1 ?
190
+ _pdbx_validate_close_contact.auth_atom_id_2 H
191
+ _pdbx_validate_close_contact.auth_asym_id_2 A
192
+ _pdbx_validate_close_contact.auth_comp_id_2 LEU
193
+ _pdbx_validate_close_contact.auth_seq_id_2 21
194
+ _pdbx_validate_close_contact.PDB_ins_code_2 ?
195
+ _pdbx_validate_close_contact.label_alt_id_2 ?
196
+ _pdbx_validate_close_contact.dist 1.57
197
+ #
198
+ _pdbx_validate_rmsd_bond.id 1
199
+ _pdbx_validate_rmsd_bond.PDB_model_num 1
200
+ _pdbx_validate_rmsd_bond.auth_atom_id_1 CG
201
+ _pdbx_validate_rmsd_bond.auth_asym_id_1 A
202
+ _pdbx_validate_rmsd_bond.auth_comp_id_1 HIS
203
+ _pdbx_validate_rmsd_bond.auth_seq_id_1 17
204
+ _pdbx_validate_rmsd_bond.PDB_ins_code_1 ?
205
+ _pdbx_validate_rmsd_bond.label_alt_id_1 ?
206
+ _pdbx_validate_rmsd_bond.auth_atom_id_2 ND1
207
+ _pdbx_validate_rmsd_bond.auth_asym_id_2 A
208
+ _pdbx_validate_rmsd_bond.auth_comp_id_2 HIS
209
+ _pdbx_validate_rmsd_bond.auth_seq_id_2 17
210
+ _pdbx_validate_rmsd_bond.PDB_ins_code_2 ?
211
+ _pdbx_validate_rmsd_bond.label_alt_id_2 ?
212
+ _pdbx_validate_rmsd_bond.bond_value 1.249
213
+ _pdbx_validate_rmsd_bond.bond_target_value 1.369
214
+ _pdbx_validate_rmsd_bond.bond_deviation -0.120
215
+ _pdbx_validate_rmsd_bond.bond_standard_deviation 0.015
216
+ _pdbx_validate_rmsd_bond.linker_flag N
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 ARG A 19 ? ? -45.96 95.62
229
+ 2 1 SER A 22 ? ? -47.87 165.01
230
+ 3 1 GLN A 31 ? ? -102.56 -64.51
231
+ 4 1 ARG A 39 ? ? -53.37 176.53
232
+ #
233
+ loop_
234
+ _pdbx_validate_planes.id
235
+ _pdbx_validate_planes.PDB_model_num
236
+ _pdbx_validate_planes.auth_comp_id
237
+ _pdbx_validate_planes.auth_asym_id
238
+ _pdbx_validate_planes.auth_seq_id
239
+ _pdbx_validate_planes.PDB_ins_code
240
+ _pdbx_validate_planes.label_alt_id
241
+ _pdbx_validate_planes.rmsd
242
+ _pdbx_validate_planes.type
243
+ 1 1 ARG A 12 ? ? 0.292 "SIDE CHAIN"
244
+ 2 1 ARG A 32 ? ? 0.309 "SIDE CHAIN"
245
+ 3 1 ARG A 33 ? ? 0.319 "SIDE CHAIN"
246
+ 4 1 ARG A 34 ? ? 0.318 "SIDE CHAIN"
247
+ 5 1 ARG A 39 ? ? 0.142 "SIDE CHAIN"
248
+ #
249
+ loop_
250
+ _atom_type.symbol
251
+ C
252
+ H
253
+ N
254
+ O
255
+ S
256
+ #
257
+ _entry.id 1K1V_A
258
+ #
259
+ loop_
260
+ _atom_site.group_PDB
261
+ _atom_site.id
262
+ _atom_site.type_symbol
263
+ _atom_site.label_atom_id
264
+ _atom_site.label_alt_id
265
+ _atom_site.label_comp_id
266
+ _atom_site.label_asym_id
267
+ _atom_site.label_entity_id
268
+ _atom_site.label_seq_id
269
+ _atom_site.pdbx_PDB_ins_code
270
+ _atom_site.Cartn_x
271
+ _atom_site.Cartn_y
272
+ _atom_site.Cartn_z
273
+ _atom_site.occupancy
274
+ _atom_site.B_iso_or_equiv
275
+ _atom_site.pdbx_formal_charge
276
+ _atom_site.auth_seq_id
277
+ _atom_site.auth_comp_id
278
+ _atom_site.auth_asym_id
279
+ _atom_site.auth_atom_id
280
+ _atom_site.pdbx_PDB_model_num
281
+ ATOM 1 N N . LEU A 1 1 ? -2.428 -0.408 8.684 1.00 0.00 ? 1 LEU A N 1
282
+ ATOM 2 C CA . LEU A 1 1 ? -2.312 -0.248 7.218 1.00 0.00 ? 1 LEU A CA 1
283
+ ATOM 3 C C . LEU A 1 1 ? -3.478 0.577 6.685 1.00 0.00 ? 1 LEU A C 1
284
+ ATOM 4 O O . LEU A 1 1 ? -4.234 0.134 5.844 1.00 0.00 ? 1 LEU A O 1
285
+ ATOM 5 C CB . LEU A 1 1 ? -2.322 -1.650 6.569 1.00 0.00 ? 1 LEU A CB 1
286
+ ATOM 6 C CG . LEU A 1 1 ? -1.517 -1.624 5.252 1.00 0.00 ? 1 LEU A CG 1
287
+ ATOM 7 C CD1 . LEU A 1 1 ? -2.191 -0.682 4.250 1.00 0.00 ? 1 LEU A CD1 1
288
+ ATOM 8 C CD2 . LEU A 1 1 ? -0.086 -1.134 5.522 1.00 0.00 ? 1 LEU A CD2 1
289
+ ATOM 9 H H1 . LEU A 1 1 ? -1.755 -0.021 9.276 1.00 0.00 ? 1 LEU A H1 1
290
+ ATOM 10 H HA . LEU A 1 1 ? -1.385 0.273 6.997 1.00 0.00 ? 1 LEU A HA 1
291
+ ATOM 11 H HB2 . LEU A 1 1 ? -1.875 -2.362 7.248 1.00 0.00 ? 1 LEU A HB2 1
292
+ ATOM 12 H HB3 . LEU A 1 1 ? -3.339 -1.951 6.367 1.00 0.00 ? 1 LEU A HB3 1
293
+ ATOM 13 H HG . LEU A 1 1 ? -1.480 -2.616 4.840 1.00 0.00 ? 1 LEU A HG 1
294
+ ATOM 14 H HD11 . LEU A 1 1 ? -1.646 -0.693 3.318 1.00 0.00 ? 1 LEU A HD11 1
295
+ ATOM 15 H HD12 . LEU A 1 1 ? -2.201 0.322 4.642 1.00 0.00 ? 1 LEU A HD12 1
296
+ ATOM 16 H HD13 . LEU A 1 1 ? -3.204 -1.005 4.069 1.00 0.00 ? 1 LEU A HD13 1
297
+ ATOM 17 H HD21 . LEU A 1 1 ? 0.606 -1.661 4.881 1.00 0.00 ? 1 LEU A HD21 1
298
+ ATOM 18 H HD22 . LEU A 1 1 ? 0.175 -1.316 6.553 1.00 0.00 ? 1 LEU A HD22 1
299
+ ATOM 19 H HD23 . LEU A 1 1 ? -0.019 -0.075 5.319 1.00 0.00 ? 1 LEU A HD23 1
300
+ ATOM 20 N N . THR A 1 2 ? -3.602 1.773 7.190 1.00 0.00 ? 2 THR A N 1
301
+ ATOM 21 C CA . THR A 1 2 ? -4.706 2.643 6.731 1.00 0.00 ? 2 THR A CA 1
302
+ ATOM 22 C C . THR A 1 2 ? -4.453 3.130 5.308 1.00 0.00 ? 2 THR A C 1
303
+ ATOM 23 O O . THR A 1 2 ? -3.551 2.663 4.641 1.00 0.00 ? 2 THR A O 1
304
+ ATOM 24 C CB . THR A 1 2 ? -4.782 3.858 7.658 1.00 0.00 ? 2 THR A CB 1
305
+ ATOM 25 O OG1 . THR A 1 2 ? -3.890 3.577 8.719 1.00 0.00 ? 2 THR A OG1 1
306
+ ATOM 26 C CG2 . THR A 1 2 ? -6.161 3.947 8.326 1.00 0.00 ? 2 THR A CG2 1
307
+ ATOM 27 H H . THR A 1 2 ? -2.971 2.091 7.870 1.00 0.00 ? 2 THR A H 1
308
+ ATOM 28 H HA . THR A 1 2 ? -5.632 2.078 6.755 1.00 0.00 ? 2 THR A HA 1
309
+ ATOM 29 H HB . THR A 1 2 ? -4.500 4.774 7.146 1.00 0.00 ? 2 THR A HB 1
310
+ ATOM 30 H HG1 . THR A 1 2 ? -3.679 4.406 9.156 1.00 0.00 ? 2 THR A HG1 1
311
+ ATOM 31 H HG21 . THR A 1 2 ? -6.862 4.412 7.650 1.00 0.00 ? 2 THR A HG21 1
312
+ ATOM 32 H HG22 . THR A 1 2 ? -6.091 4.537 9.228 1.00 0.00 ? 2 THR A HG22 1
313
+ ATOM 33 H HG23 . THR A 1 2 ? -6.510 2.957 8.575 1.00 0.00 ? 2 THR A HG23 1
314
+ ATOM 34 N N . ASP A 1 3 ? -5.260 4.056 4.865 1.00 0.00 ? 3 ASP A N 1
315
+ ATOM 35 C CA . ASP A 1 3 ? -5.075 4.580 3.491 1.00 0.00 ? 3 ASP A CA 1
316
+ ATOM 36 C C . ASP A 1 3 ? -3.963 5.610 3.468 1.00 0.00 ? 3 ASP A C 1
317
+ ATOM 37 O O . ASP A 1 3 ? -3.030 5.502 2.698 1.00 0.00 ? 3 ASP A O 1
318
+ ATOM 38 C CB . ASP A 1 3 ? -6.385 5.246 3.038 1.00 0.00 ? 3 ASP A CB 1
319
+ ATOM 39 C CG . ASP A 1 3 ? -7.562 4.320 3.357 1.00 0.00 ? 3 ASP A CG 1
320
+ ATOM 40 O OD1 . ASP A 1 3 ? -7.646 3.928 4.509 1.00 0.00 ? 3 ASP A OD1 1
321
+ ATOM 41 O OD2 . ASP A 1 3 ? -8.310 4.057 2.430 1.00 0.00 ? 3 ASP A OD2 1
322
+ ATOM 42 H H . ASP A 1 3 ? -5.978 4.401 5.433 1.00 0.00 ? 3 ASP A H 1
323
+ ATOM 43 H HA . ASP A 1 3 ? -4.806 3.759 2.832 1.00 0.00 ? 3 ASP A HA 1
324
+ ATOM 44 H HB2 . ASP A 1 3 ? -6.517 6.184 3.557 1.00 0.00 ? 3 ASP A HB2 1
325
+ ATOM 45 H HB3 . ASP A 1 3 ? -6.352 5.428 1.973 1.00 0.00 ? 3 ASP A HB3 1
326
+ ATOM 46 N N . GLU A 1 4 ? -4.077 6.593 4.312 1.00 0.00 ? 4 GLU A N 1
327
+ ATOM 47 C CA . GLU A 1 4 ? -3.026 7.631 4.346 1.00 0.00 ? 4 GLU A CA 1
328
+ ATOM 48 C C . GLU A 1 4 ? -1.688 6.985 4.650 1.00 0.00 ? 4 GLU A C 1
329
+ ATOM 49 O O . GLU A 1 4 ? -0.646 7.588 4.487 1.00 0.00 ? 4 GLU A O 1
330
+ ATOM 50 C CB . GLU A 1 4 ? -3.357 8.636 5.461 1.00 0.00 ? 4 GLU A CB 1
331
+ ATOM 51 C CG . GLU A 1 4 ? -4.867 8.887 5.488 1.00 0.00 ? 4 GLU A CG 1
332
+ ATOM 52 C CD . GLU A 1 4 ? -5.174 9.988 6.505 1.00 0.00 ? 4 GLU A CD 1
333
+ ATOM 53 O OE1 . GLU A 1 4 ? -4.850 9.763 7.660 1.00 0.00 ? 4 GLU A OE1 1
334
+ ATOM 54 O OE2 . GLU A 1 4 ? -5.714 10.991 6.070 1.00 0.00 ? 4 GLU A OE2 1
335
+ ATOM 55 H H . GLU A 1 4 ? -4.842 6.639 4.918 1.00 0.00 ? 4 GLU A H 1
336
+ ATOM 56 H HA . GLU A 1 4 ? -2.976 8.123 3.375 1.00 0.00 ? 4 GLU A HA 1
337
+ ATOM 57 H HB2 . GLU A 1 4 ? -3.039 8.239 6.414 1.00 0.00 ? 4 GLU A HB2 1
338
+ ATOM 58 H HB3 . GLU A 1 4 ? -2.839 9.566 5.277 1.00 0.00 ? 4 GLU A HB3 1
339
+ ATOM 59 H HG2 . GLU A 1 4 ? -5.205 9.198 4.510 1.00 0.00 ? 4 GLU A HG2 1
340
+ ATOM 60 H HG3 . GLU A 1 4 ? -5.383 7.983 5.774 1.00 0.00 ? 4 GLU A HG3 1
341
+ ATOM 61 N N . GLU A 1 5 ? -1.748 5.756 5.090 1.00 0.00 ? 5 GLU A N 1
342
+ ATOM 62 C CA . GLU A 1 5 ? -0.503 5.032 5.417 1.00 0.00 ? 5 GLU A CA 1
343
+ ATOM 63 C C . GLU A 1 5 ? 0.152 4.498 4.151 1.00 0.00 ? 5 GLU A C 1
344
+ ATOM 64 O O . GLU A 1 5 ? 1.334 4.681 3.940 1.00 0.00 ? 5 GLU A O 1
345
+ ATOM 65 C CB . GLU A 1 5 ? -0.860 3.852 6.338 1.00 0.00 ? 5 GLU A CB 1
346
+ ATOM 66 C CG . GLU A 1 5 ? -1.002 4.361 7.775 1.00 0.00 ? 5 GLU A CG 1
347
+ ATOM 67 C CD . GLU A 1 5 ? 0.324 4.969 8.231 1.00 0.00 ? 5 GLU A CD 1
348
+ ATOM 68 O OE1 . GLU A 1 5 ? 1.201 4.183 8.546 1.00 0.00 ? 5 GLU A OE1 1
349
+ ATOM 69 O OE2 . GLU A 1 5 ? 0.385 6.189 8.238 1.00 0.00 ? 5 GLU A OE2 1
350
+ ATOM 70 H H . GLU A 1 5 ? -2.616 5.317 5.204 1.00 0.00 ? 5 GLU A H 1
351
+ ATOM 71 H HA . GLU A 1 5 ? 0.183 5.713 5.908 1.00 0.00 ? 5 GLU A HA 1
352
+ ATOM 72 H HB2 . GLU A 1 5 ? -1.792 3.411 6.017 1.00 0.00 ? 5 GLU A HB2 1
353
+ ATOM 73 H HB3 . GLU A 1 5 ? -0.081 3.107 6.293 1.00 0.00 ? 5 GLU A HB3 1
354
+ ATOM 74 H HG2 . GLU A 1 5 ? -1.777 5.113 7.822 1.00 0.00 ? 5 GLU A HG2 1
355
+ ATOM 75 H HG3 . GLU A 1 5 ? -1.260 3.541 8.430 1.00 0.00 ? 5 GLU A HG3 1
356
+ ATOM 76 N N . LEU A 1 6 ? -0.632 3.841 3.327 1.00 0.00 ? 6 LEU A N 1
357
+ ATOM 77 C CA . LEU A 1 6 ? -0.072 3.285 2.062 1.00 0.00 ? 6 LEU A CA 1
358
+ ATOM 78 C C . LEU A 1 6 ? 0.873 4.282 1.429 1.00 0.00 ? 6 LEU A C 1
359
+ ATOM 79 O O . LEU A 1 6 ? 1.821 3.918 0.762 1.00 0.00 ? 6 LEU A O 1
360
+ ATOM 80 C CB . LEU A 1 6 ? -1.228 3.053 1.076 1.00 0.00 ? 6 LEU A CB 1
361
+ ATOM 81 C CG . LEU A 1 6 ? -2.047 1.843 1.517 1.00 0.00 ? 6 LEU A CG 1
362
+ ATOM 82 C CD1 . LEU A 1 6 ? -3.405 1.873 0.811 1.00 0.00 ? 6 LEU A CD1 1
363
+ ATOM 83 C CD2 . LEU A 1 6 ? -1.308 0.563 1.127 1.00 0.00 ? 6 LEU A CD2 1
364
+ ATOM 84 H H . LEU A 1 6 ? -1.578 3.718 3.544 1.00 0.00 ? 6 LEU A H 1
365
+ ATOM 85 H HA . LEU A 1 6 ? 0.466 2.354 2.275 1.00 0.00 ? 6 LEU A HA 1
366
+ ATOM 86 H HB2 . LEU A 1 6 ? -1.860 3.929 1.052 1.00 0.00 ? 6 LEU A HB2 1
367
+ ATOM 87 H HB3 . LEU A 1 6 ? -0.829 2.882 0.091 1.00 0.00 ? 6 LEU A HB3 1
368
+ ATOM 88 H HG . LEU A 1 6 ? -2.191 1.871 2.580 1.00 0.00 ? 6 LEU A HG 1
369
+ ATOM 89 H HD11 . LEU A 1 6 ? -4.089 1.204 1.310 1.00 0.00 ? 6 LEU A HD11 1
370
+ ATOM 90 H HD12 . LEU A 1 6 ? -3.288 1.560 -0.217 1.00 0.00 ? 6 LEU A HD12 1
371
+ ATOM 91 H HD13 . LEU A 1 6 ? -3.806 2.875 0.835 1.00 0.00 ? 6 LEU A HD13 1
372
+ ATOM 92 H HD21 . LEU A 1 6 ? -0.923 0.656 0.122 1.00 0.00 ? 6 LEU A HD21 1
373
+ ATOM 93 H HD22 . LEU A 1 6 ? -1.986 -0.277 1.172 1.00 0.00 ? 6 LEU A HD22 1
374
+ ATOM 94 H HD23 . LEU A 1 6 ? -0.490 0.396 1.809 1.00 0.00 ? 6 LEU A HD23 1
375
+ ATOM 95 N N . VAL A 1 7 ? 0.591 5.528 1.654 1.00 0.00 ? 7 VAL A N 1
376
+ ATOM 96 C CA . VAL A 1 7 ? 1.450 6.583 1.080 1.00 0.00 ? 7 VAL A CA 1
377
+ ATOM 97 C C . VAL A 1 7 ? 2.657 6.817 1.963 1.00 0.00 ? 7 VAL A C 1
378
+ ATOM 98 O O . VAL A 1 7 ? 3.780 6.624 1.544 1.00 0.00 ? 7 VAL A O 1
379
+ ATOM 99 C CB . VAL A 1 7 ? 0.640 7.884 0.983 1.00 0.00 ? 7 VAL A CB 1
380
+ ATOM 100 C CG1 . VAL A 1 7 ? 1.066 8.638 -0.274 1.00 0.00 ? 7 VAL A CG1 1
381
+ ATOM 101 C CG2 . VAL A 1 7 ? -0.848 7.564 0.886 1.00 0.00 ? 7 VAL A CG2 1
382
+ ATOM 102 H H . VAL A 1 7 ? -0.176 5.761 2.213 1.00 0.00 ? 7 VAL A H 1
383
+ ATOM 103 H HA . VAL A 1 7 ? 1.788 6.267 0.103 1.00 0.00 ? 7 VAL A HA 1
384
+ ATOM 104 H HB . VAL A 1 7 ? 0.819 8.487 1.845 1.00 0.00 ? 7 VAL A HB 1
385
+ ATOM 105 H HG11 . VAL A 1 7 ? 2.085 8.976 -0.168 1.00 0.00 ? 7 VAL A HG11 1
386
+ ATOM 106 H HG12 . VAL A 1 7 ? 0.421 9.491 -0.422 1.00 0.00 ? 7 VAL A HG12 1
387
+ ATOM 107 H HG13 . VAL A 1 7 ? 0.996 7.985 -1.132 1.00 0.00 ? 7 VAL A HG13 1
388
+ ATOM 108 H HG21 . VAL A 1 7 ? -1.412 8.483 0.889 1.00 0.00 ? 7 VAL A HG21 1
389
+ ATOM 109 H HG22 . VAL A 1 7 ? -1.150 6.965 1.725 1.00 0.00 ? 7 VAL A HG22 1
390
+ ATOM 110 H HG23 . VAL A 1 7 ? -1.045 7.025 -0.028 1.00 0.00 ? 7 VAL A HG23 1
391
+ ATOM 111 N N . THR A 1 8 ? 2.411 7.231 3.173 1.00 0.00 ? 8 THR A N 1
392
+ ATOM 112 C CA . THR A 1 8 ? 3.541 7.476 4.087 1.00 0.00 ? 8 THR A CA 1
393
+ ATOM 113 C C . THR A 1 8 ? 4.510 6.307 4.025 1.00 0.00 ? 8 THR A C 1
394
+ ATOM 114 O O . THR A 1 8 ? 5.699 6.465 4.220 1.00 0.00 ? 8 THR A O 1
395
+ ATOM 115 C CB . THR A 1 8 ? 2.993 7.598 5.513 1.00 0.00 ? 8 THR A CB 1
396
+ ATOM 116 O OG1 . THR A 1 8 ? 1.601 7.395 5.395 1.00 0.00 ? 8 THR A OG1 1
397
+ ATOM 117 C CG2 . THR A 1 8 ? 3.129 9.037 6.030 1.00 0.00 ? 8 THR A CG2 1
398
+ ATOM 118 H H . THR A 1 8 ? 1.490 7.378 3.468 1.00 0.00 ? 8 THR A H 1
399
+ ATOM 119 H HA . THR A 1 8 ? 4.057 8.388 3.784 1.00 0.00 ? 8 THR A HA 1
400
+ ATOM 120 H HB . THR A 1 8 ? 3.438 6.865 6.182 1.00 0.00 ? 8 THR A HB 1
401
+ ATOM 121 H HG1 . THR A 1 8 ? 1.188 8.248 5.243 1.00 0.00 ? 8 THR A HG1 1
402
+ ATOM 122 H HG21 . THR A 1 8 ? 2.913 9.732 5.231 1.00 0.00 ? 8 THR A HG21 1
403
+ ATOM 123 H HG22 . THR A 1 8 ? 4.134 9.203 6.384 1.00 0.00 ? 8 THR A HG22 1
404
+ ATOM 124 H HG23 . THR A 1 8 ? 2.434 9.199 6.840 1.00 0.00 ? 8 THR A HG23 1
405
+ ATOM 125 N N . MET A 1 9 ? 3.973 5.145 3.748 1.00 0.00 ? 9 MET A N 1
406
+ ATOM 126 C CA . MET A 1 9 ? 4.831 3.942 3.661 1.00 0.00 ? 9 MET A CA 1
407
+ ATOM 127 C C . MET A 1 9 ? 5.325 3.737 2.233 1.00 0.00 ? 9 MET A C 1
408
+ ATOM 128 O O . MET A 1 9 ? 4.636 3.160 1.415 1.00 0.00 ? 9 MET A O 1
409
+ ATOM 129 C CB . MET A 1 9 ? 3.993 2.718 4.069 1.00 0.00 ? 9 MET A CB 1
410
+ ATOM 130 C CG . MET A 1 9 ? 4.370 2.298 5.490 1.00 0.00 ? 9 MET A CG 1
411
+ ATOM 131 S SD . MET A 1 9 ? 3.546 0.832 6.164 1.00 0.00 ? 9 MET A SD 1
412
+ ATOM 132 C CE . MET A 1 9 ? 3.496 -0.125 4.626 1.00 0.00 ? 9 MET A CE 1
413
+ ATOM 133 H H . MET A 1 9 ? 3.008 5.074 3.597 1.00 0.00 ? 9 MET A H 1
414
+ ATOM 134 H HA . MET A 1 9 ? 5.685 4.065 4.321 1.00 0.00 ? 9 MET A HA 1
415
+ ATOM 135 H HB2 . MET A 1 9 ? 2.945 2.966 4.030 1.00 0.00 ? 9 MET A HB2 1
416
+ ATOM 136 H HB3 . MET A 1 9 ? 4.188 1.904 3.387 1.00 0.00 ? 9 MET A HB3 1
417
+ ATOM 137 H HG2 . MET A 1 9 ? 5.434 2.117 5.516 1.00 0.00 ? 9 MET A HG2 1
418
+ ATOM 138 H HG3 . MET A 1 9 ? 4.161 3.125 6.153 1.00 0.00 ? 9 MET A HG3 1
419
+ ATOM 139 H HE1 . MET A 1 9 ? 4.476 -0.127 4.172 1.00 0.00 ? 9 MET A HE1 1
420
+ ATOM 140 H HE2 . MET A 1 9 ? 2.783 0.320 3.946 1.00 0.00 ? 9 MET A HE2 1
421
+ ATOM 141 H HE3 . MET A 1 9 ? 3.198 -1.141 4.842 1.00 0.00 ? 9 MET A HE3 1
422
+ ATOM 142 N N . SER A 1 10 ? 6.505 4.218 1.956 1.00 0.00 ? 10 SER A N 1
423
+ ATOM 143 C CA . SER A 1 10 ? 7.052 4.057 0.585 1.00 0.00 ? 10 SER A CA 1
424
+ ATOM 144 C C . SER A 1 10 ? 6.812 2.640 0.071 1.00 0.00 ? 10 SER A C 1
425
+ ATOM 145 O O . SER A 1 10 ? 6.815 1.696 0.834 1.00 0.00 ? 10 SER A O 1
426
+ ATOM 146 C CB . SER A 1 10 ? 8.566 4.314 0.636 1.00 0.00 ? 10 SER A CB 1
427
+ ATOM 147 O OG . SER A 1 10 ? 8.979 4.225 -0.718 1.00 0.00 ? 10 SER A OG 1
428
+ ATOM 148 H H . SER A 1 10 ? 7.023 4.682 2.644 1.00 0.00 ? 10 SER A H 1
429
+ ATOM 149 H HA . SER A 1 10 ? 6.560 4.767 -0.079 1.00 0.00 ? 10 SER A HA 1
430
+ ATOM 150 H HB2 . SER A 1 10 ? 8.774 5.299 1.026 1.00 0.00 ? 10 SER A HB2 1
431
+ ATOM 151 H HB3 . SER A 1 10 ? 9.064 3.561 1.230 1.00 0.00 ? 10 SER A HB3 1
432
+ ATOM 152 H HG . SER A 1 10 ? 9.437 5.037 -0.943 1.00 0.00 ? 10 SER A HG 1
433
+ ATOM 153 N N . VAL A 1 11 ? 6.603 2.520 -1.216 1.00 0.00 ? 11 VAL A N 1
434
+ ATOM 154 C CA . VAL A 1 11 ? 6.360 1.171 -1.799 1.00 0.00 ? 11 VAL A CA 1
435
+ ATOM 155 C C . VAL A 1 11 ? 7.290 0.138 -1.184 1.00 0.00 ? 11 VAL A C 1
436
+ ATOM 156 O O . VAL A 1 11 ? 6.859 -0.923 -0.782 1.00 0.00 ? 11 VAL A O 1
437
+ ATOM 157 C CB . VAL A 1 11 ? 6.624 1.243 -3.314 1.00 0.00 ? 11 VAL A CB 1
438
+ ATOM 158 C CG1 . VAL A 1 11 ? 5.841 0.132 -4.023 1.00 0.00 ? 11 VAL A CG1 1
439
+ ATOM 159 C CG2 . VAL A 1 11 ? 6.155 2.601 -3.841 1.00 0.00 ? 11 VAL A CG2 1
440
+ ATOM 160 H H . VAL A 1 11 ? 6.604 3.313 -1.791 1.00 0.00 ? 11 VAL A H 1
441
+ ATOM 161 H HA . VAL A 1 11 ? 5.331 0.878 -1.597 1.00 0.00 ? 11 VAL A HA 1
442
+ ATOM 162 H HB . VAL A 1 11 ? 7.680 1.124 -3.507 1.00 0.00 ? 11 VAL A HB 1
443
+ ATOM 163 H HG11 . VAL A 1 11 ? 5.694 0.395 -5.060 1.00 0.00 ? 11 VAL A HG11 1
444
+ ATOM 164 H HG12 . VAL A 1 11 ? 4.879 0.003 -3.550 1.00 0.00 ? 11 VAL A HG12 1
445
+ ATOM 165 H HG13 . VAL A 1 11 ? 6.391 -0.794 -3.966 1.00 0.00 ? 11 VAL A HG13 1
446
+ ATOM 166 H HG21 . VAL A 1 11 ? 6.146 2.591 -4.920 1.00 0.00 ? 11 VAL A HG21 1
447
+ ATOM 167 H HG22 . VAL A 1 11 ? 6.825 3.376 -3.497 1.00 0.00 ? 11 VAL A HG22 1
448
+ ATOM 168 H HG23 . VAL A 1 11 ? 5.158 2.807 -3.479 1.00 0.00 ? 11 VAL A HG23 1
449
+ ATOM 169 N N . ARG A 1 12 ? 8.551 0.458 -1.118 1.00 0.00 ? 12 ARG A N 1
450
+ ATOM 170 C CA . ARG A 1 12 ? 9.497 -0.509 -0.526 1.00 0.00 ? 12 ARG A CA 1
451
+ ATOM 171 C C . ARG A 1 12 ? 9.011 -0.932 0.849 1.00 0.00 ? 12 ARG A C 1
452
+ ATOM 172 O O . ARG A 1 12 ? 9.072 -2.093 1.203 1.00 0.00 ? 12 ARG A O 1
453
+ ATOM 173 C CB . ARG A 1 12 ? 10.873 0.162 -0.392 1.00 0.00 ? 12 ARG A CB 1
454
+ ATOM 174 C CG . ARG A 1 12 ? 11.684 -0.104 -1.664 1.00 0.00 ? 12 ARG A CG 1
455
+ ATOM 175 C CD . ARG A 1 12 ? 11.117 0.738 -2.809 1.00 0.00 ? 12 ARG A CD 1
456
+ ATOM 176 N NE . ARG A 1 12 ? 11.971 0.556 -4.016 1.00 0.00 ? 12 ARG A NE 1
457
+ ATOM 177 C CZ . ARG A 1 12 ? 11.636 1.144 -5.131 1.00 0.00 ? 12 ARG A CZ 1
458
+ ATOM 178 N NH1 . ARG A 1 12 ? 11.684 2.446 -5.196 1.00 0.00 ? 12 ARG A NH1 1
459
+ ATOM 179 N NH2 . ARG A 1 12 ? 11.263 0.411 -6.145 1.00 0.00 ? 12 ARG A NH2 1
460
+ ATOM 180 H H . ARG A 1 12 ? 8.865 1.324 -1.453 1.00 0.00 ? 12 ARG A H 1
461
+ ATOM 181 H HA . ARG A 1 12 ? 9.551 -1.390 -1.168 1.00 0.00 ? 12 ARG A HA 1
462
+ ATOM 182 H HB2 . ARG A 1 12 ? 10.747 1.226 -0.256 1.00 0.00 ? 12 ARG A HB2 1
463
+ ATOM 183 H HB3 . ARG A 1 12 ? 11.393 -0.246 0.461 1.00 0.00 ? 12 ARG A HB3 1
464
+ ATOM 184 H HG2 . ARG A 1 12 ? 12.717 0.162 -1.497 1.00 0.00 ? 12 ARG A HG2 1
465
+ ATOM 185 H HG3 . ARG A 1 12 ? 11.626 -1.152 -1.921 1.00 0.00 ? 12 ARG A HG3 1
466
+ ATOM 186 H HD2 . ARG A 1 12 ? 10.109 0.421 -3.033 1.00 0.00 ? 12 ARG A HD2 1
467
+ ATOM 187 H HD3 . ARG A 1 12 ? 11.110 1.780 -2.529 1.00 0.00 ? 12 ARG A HD3 1
468
+ ATOM 188 H HE . ARG A 1 12 ? 12.778 0.001 -3.973 1.00 0.00 ? 12 ARG A HE 1
469
+ ATOM 189 H HH11 . ARG A 1 12 ? 11.974 2.975 -4.399 1.00 0.00 ? 12 ARG A HH11 1
470
+ ATOM 190 H HH12 . ARG A 1 12 ? 11.432 2.915 -6.043 1.00 0.00 ? 12 ARG A HH12 1
471
+ ATOM 191 H HH21 . ARG A 1 12 ? 11.239 -0.585 -6.060 1.00 0.00 ? 12 ARG A HH21 1
472
+ ATOM 192 H HH22 . ARG A 1 12 ? 11.001 0.845 -7.008 1.00 0.00 ? 12 ARG A HH22 1
473
+ ATOM 193 N N . GLU A 1 13 ? 8.530 0.021 1.606 1.00 0.00 ? 13 GLU A N 1
474
+ ATOM 194 C CA . GLU A 1 13 ? 8.036 -0.314 2.958 1.00 0.00 ? 13 GLU A CA 1
475
+ ATOM 195 C C . GLU A 1 13 ? 6.708 -1.038 2.849 1.00 0.00 ? 13 GLU A C 1
476
+ ATOM 196 O O . GLU A 1 13 ? 6.301 -1.741 3.753 1.00 0.00 ? 13 GLU A O 1
477
+ ATOM 197 C CB . GLU A 1 13 ? 7.841 0.986 3.753 1.00 0.00 ? 13 GLU A CB 1
478
+ ATOM 198 C CG . GLU A 1 13 ? 9.193 1.430 4.316 1.00 0.00 ? 13 GLU A CG 1
479
+ ATOM 199 C CD . GLU A 1 13 ? 10.284 1.176 3.272 1.00 0.00 ? 13 GLU A CD 1
480
+ ATOM 200 O OE1 . GLU A 1 13 ? 10.139 1.726 2.194 1.00 0.00 ? 13 GLU A OE1 1
481
+ ATOM 201 O OE2 . GLU A 1 13 ? 11.200 0.445 3.612 1.00 0.00 ? 13 GLU A OE2 1
482
+ ATOM 202 H H . GLU A 1 13 ? 8.501 0.946 1.281 1.00 0.00 ? 13 GLU A H 1
483
+ ATOM 203 H HA . GLU A 1 13 ? 8.756 -0.970 3.448 1.00 0.00 ? 13 GLU A HA 1
484
+ ATOM 204 H HB2 . GLU A 1 13 ? 7.449 1.754 3.105 1.00 0.00 ? 13 GLU A HB2 1
485
+ ATOM 205 H HB3 . GLU A 1 13 ? 7.147 0.817 4.564 1.00 0.00 ? 13 GLU A HB3 1
486
+ ATOM 206 H HG2 . GLU A 1 13 ? 9.163 2.482 4.554 1.00 0.00 ? 13 GLU A HG2 1
487
+ ATOM 207 H HG3 . GLU A 1 13 ? 9.418 0.867 5.212 1.00 0.00 ? 13 GLU A HG3 1
488
+ ATOM 208 N N . LEU A 1 14 ? 6.046 -0.846 1.740 1.00 0.00 ? 14 LEU A N 1
489
+ ATOM 209 C CA . LEU A 1 14 ? 4.749 -1.518 1.554 1.00 0.00 ? 14 LEU A CA 1
490
+ ATOM 210 C C . LEU A 1 14 ? 4.994 -2.950 1.152 1.00 0.00 ? 14 LEU A C 1
491
+ ATOM 211 O O . LEU A 1 14 ? 4.453 -3.867 1.738 1.00 0.00 ? 14 LEU A O 1
492
+ ATOM 212 C CB . LEU A 1 14 ? 3.972 -0.810 0.437 1.00 0.00 ? 14 LEU A CB 1
493
+ ATOM 213 C CG . LEU A 1 14 ? 2.614 -1.492 0.269 1.00 0.00 ? 14 LEU A CG 1
494
+ ATOM 214 C CD1 . LEU A 1 14 ? 1.660 -0.961 1.334 1.00 0.00 ? 14 LEU A CD1 1
495
+ ATOM 215 C CD2 . LEU A 1 14 ? 2.056 -1.170 -1.116 1.00 0.00 ? 14 LEU A CD2 1
496
+ ATOM 216 H H . LEU A 1 14 ? 6.407 -0.262 1.042 1.00 0.00 ? 14 LEU A H 1
497
+ ATOM 217 H HA . LEU A 1 14 ? 4.198 -1.501 2.490 1.00 0.00 ? 14 LEU A HA 1
498
+ ATOM 218 H HB2 . LEU A 1 14 ? 3.825 0.228 0.698 1.00 0.00 ? 14 LEU A HB2 1
499
+ ATOM 219 H HB3 . LEU A 1 14 ? 4.524 -0.869 -0.488 1.00 0.00 ? 14 LEU A HB3 1
500
+ ATOM 220 H HG . LEU A 1 14 ? 2.723 -2.561 0.377 1.00 0.00 ? 14 LEU A HG 1
501
+ ATOM 221 H HD11 . LEU A 1 14 ? 1.602 0.115 1.263 1.00 0.00 ? 14 LEU A HD11 1
502
+ ATOM 222 H HD12 . LEU A 1 14 ? 2.022 -1.234 2.314 1.00 0.00 ? 14 LEU A HD12 1
503
+ ATOM 223 H HD13 . LEU A 1 14 ? 0.678 -1.383 1.188 1.00 0.00 ? 14 LEU A HD13 1
504
+ ATOM 224 H HD21 . LEU A 1 14 ? 1.801 -0.124 -1.172 1.00 0.00 ? 14 LEU A HD21 1
505
+ ATOM 225 H HD22 . LEU A 1 14 ? 1.172 -1.764 -1.298 1.00 0.00 ? 14 LEU A HD22 1
506
+ ATOM 226 H HD23 . LEU A 1 14 ? 2.797 -1.397 -1.868 1.00 0.00 ? 14 LEU A HD23 1
507
+ ATOM 227 N N . ASN A 1 15 ? 5.809 -3.126 0.150 1.00 0.00 ? 15 ASN A N 1
508
+ ATOM 228 C CA . ASN A 1 15 ? 6.100 -4.499 -0.297 1.00 0.00 ? 15 ASN A CA 1
509
+ ATOM 229 C C . ASN A 1 15 ? 6.565 -5.318 0.892 1.00 0.00 ? 15 ASN A C 1
510
+ ATOM 230 O O . ASN A 1 15 ? 6.536 -6.533 0.871 1.00 0.00 ? 15 ASN A O 1
511
+ ATOM 231 C CB . ASN A 1 15 ? 7.223 -4.447 -1.342 1.00 0.00 ? 15 ASN A CB 1
512
+ ATOM 232 C CG . ASN A 1 15 ? 6.731 -3.680 -2.569 1.00 0.00 ? 15 ASN A CG 1
513
+ ATOM 233 O OD1 . ASN A 1 15 ? 5.636 -3.894 -3.050 1.00 0.00 ? 15 ASN A OD1 1
514
+ ATOM 234 N ND2 . ASN A 1 15 ? 7.508 -2.780 -3.104 1.00 0.00 ? 15 ASN A ND2 1
515
+ ATOM 235 H H . ASN A 1 15 ? 6.223 -2.352 -0.300 1.00 0.00 ? 15 ASN A H 1
516
+ ATOM 236 H HA . ASN A 1 15 ? 5.195 -4.943 -0.710 1.00 0.00 ? 15 ASN A HA 1
517
+ ATOM 237 H HB2 . ASN A 1 15 ? 8.085 -3.945 -0.927 1.00 0.00 ? 15 ASN A HB2 1
518
+ ATOM 238 H HB3 . ASN A 1 15 ? 7.500 -5.450 -1.633 1.00 0.00 ? 15 ASN A HB3 1
519
+ ATOM 239 H HD21 . ASN A 1 15 ? 8.392 -2.603 -2.719 1.00 0.00 ? 15 ASN A HD21 1
520
+ ATOM 240 H HD22 . ASN A 1 15 ? 7.206 -2.279 -3.890 1.00 0.00 ? 15 ASN A HD22 1
521
+ ATOM 241 N N . GLN A 1 16 ? 6.990 -4.622 1.916 1.00 0.00 ? 16 GLN A N 1
522
+ ATOM 242 C CA . GLN A 1 16 ? 7.465 -5.314 3.130 1.00 0.00 ? 16 GLN A CA 1
523
+ ATOM 243 C C . GLN A 1 16 ? 6.307 -5.993 3.844 1.00 0.00 ? 16 GLN A C 1
524
+ ATOM 244 O O . GLN A 1 16 ? 6.421 -7.116 4.296 1.00 0.00 ? 16 GLN A O 1
525
+ ATOM 245 C CB . GLN A 1 16 ? 8.081 -4.259 4.067 1.00 0.00 ? 16 GLN A CB 1
526
+ ATOM 246 C CG . GLN A 1 16 ? 9.530 -4.645 4.373 1.00 0.00 ? 16 GLN A CG 1
527
+ ATOM 247 C CD . GLN A 1 16 ? 10.101 -3.682 5.417 1.00 0.00 ? 16 GLN A CD 1
528
+ ATOM 248 O OE1 . GLN A 1 16 ? 10.164 -3.989 6.592 1.00 0.00 ? 16 GLN A OE1 1
529
+ ATOM 249 N NE2 . GLN A 1 16 ? 10.526 -2.509 5.032 1.00 0.00 ? 16 GLN A NE2 1
530
+ ATOM 250 H H . GLN A 1 16 ? 6.997 -3.641 1.876 1.00 0.00 ? 16 GLN A H 1
531
+ ATOM 251 H HA . GLN A 1 16 ? 8.201 -6.064 2.850 1.00 0.00 ? 16 GLN A HA 1
532
+ ATOM 252 H HB2 . GLN A 1 16 ? 8.058 -3.294 3.586 1.00 0.00 ? 16 GLN A HB2 1
533
+ ATOM 253 H HB3 . GLN A 1 16 ? 7.514 -4.210 4.987 1.00 0.00 ? 16 GLN A HB3 1
534
+ ATOM 254 H HG2 . GLN A 1 16 ? 9.566 -5.653 4.759 1.00 0.00 ? 16 GLN A HG2 1
535
+ ATOM 255 H HG3 . GLN A 1 16 ? 10.122 -4.585 3.472 1.00 0.00 ? 16 GLN A HG3 1
536
+ ATOM 256 H HE21 . GLN A 1 16 ? 10.478 -2.255 4.088 1.00 0.00 ? 16 GLN A HE21 1
537
+ ATOM 257 H HE22 . GLN A 1 16 ? 10.895 -1.882 5.690 1.00 0.00 ? 16 GLN A HE22 1
538
+ ATOM 258 N N . HIS A 1 17 ? 5.205 -5.299 3.933 1.00 0.00 ? 17 HIS A N 1
539
+ ATOM 259 C CA . HIS A 1 17 ? 4.029 -5.888 4.613 1.00 0.00 ? 17 HIS A CA 1
540
+ ATOM 260 C C . HIS A 1 17 ? 3.372 -6.929 3.714 1.00 0.00 ? 17 HIS A C 1
541
+ ATOM 261 O O . HIS A 1 17 ? 3.057 -8.020 4.143 1.00 0.00 ? 17 HIS A O 1
542
+ ATOM 262 C CB . HIS A 1 17 ? 3.026 -4.742 4.925 1.00 0.00 ? 17 HIS A CB 1
543
+ ATOM 263 C CG . HIS A 1 17 ? 1.655 -5.038 4.298 1.00 0.00 ? 17 HIS A CG 1
544
+ ATOM 264 N ND1 . HIS A 1 17 ? 0.792 -5.796 4.789 1.00 0.00 ? 17 HIS A ND1 1
545
+ ATOM 265 C CD2 . HIS A 1 17 ? 1.100 -4.560 3.125 1.00 0.00 ? 17 HIS A CD2 1
546
+ ATOM 266 C CE1 . HIS A 1 17 ? -0.245 -5.853 4.062 1.00 0.00 ? 17 HIS A CE1 1
547
+ ATOM 267 N NE2 . HIS A 1 17 ? -0.143 -5.093 2.970 1.00 0.00 ? 17 HIS A NE2 1
548
+ ATOM 268 H H . HIS A 1 17 ? 5.153 -4.398 3.545 1.00 0.00 ? 17 HIS A H 1
549
+ ATOM 269 H HA . HIS A 1 17 ? 4.361 -6.373 5.528 1.00 0.00 ? 17 HIS A HA 1
550
+ ATOM 270 H HB2 . HIS A 1 17 ? 2.911 -4.645 5.993 1.00 0.00 ? 17 HIS A HB2 1
551
+ ATOM 271 H HB3 . HIS A 1 17 ? 3.403 -3.813 4.524 1.00 0.00 ? 17 HIS A HB3 1
552
+ ATOM 272 H HD1 . HIS A 1 17 ? 0.903 -6.285 5.633 1.00 0.00 ? 17 HIS A HD1 1
553
+ ATOM 273 H HD2 . HIS A 1 17 ? 1.576 -3.872 2.442 1.00 0.00 ? 17 HIS A HD2 1
554
+ ATOM 274 H HE1 . HIS A 1 17 ? -1.114 -6.449 4.301 1.00 0.00 ? 17 HIS A HE1 1
555
+ ATOM 275 N N . LEU A 1 18 ? 3.179 -6.563 2.479 1.00 0.00 ? 18 LEU A N 1
556
+ ATOM 276 C CA . LEU A 1 18 ? 2.547 -7.505 1.525 1.00 0.00 ? 18 LEU A CA 1
557
+ ATOM 277 C C . LEU A 1 18 ? 3.105 -8.909 1.692 1.00 0.00 ? 18 LEU A C 1
558
+ ATOM 278 O O . LEU A 1 18 ? 2.423 -9.881 1.439 1.00 0.00 ? 18 LEU A O 1
559
+ ATOM 279 C CB . LEU A 1 18 ? 2.853 -7.028 0.102 1.00 0.00 ? 18 LEU A CB 1
560
+ ATOM 280 C CG . LEU A 1 18 ? 1.898 -5.896 -0.254 1.00 0.00 ? 18 LEU A CG 1
561
+ ATOM 281 C CD1 . LEU A 1 18 ? 2.258 -5.351 -1.636 1.00 0.00 ? 18 LEU A CD1 1
562
+ ATOM 282 C CD2 . LEU A 1 18 ? 0.471 -6.435 -0.278 1.00 0.00 ? 18 LEU A CD2 1
563
+ ATOM 283 H H . LEU A 1 18 ? 3.443 -5.664 2.186 1.00 0.00 ? 18 LEU A H 1
564
+ ATOM 284 H HA . LEU A 1 18 ? 1.473 -7.526 1.703 1.00 0.00 ? 18 LEU A HA 1
565
+ ATOM 285 H HB2 . LEU A 1 18 ? 3.872 -6.674 0.048 1.00 0.00 ? 18 LEU A HB2 1
566
+ ATOM 286 H HB3 . LEU A 1 18 ? 2.723 -7.844 -0.594 1.00 0.00 ? 18 LEU A HB3 1
567
+ ATOM 287 H HG . LEU A 1 18 ? 1.977 -5.114 0.482 1.00 0.00 ? 18 LEU A HG 1
568
+ ATOM 288 H HD11 . LEU A 1 18 ? 3.327 -5.398 -1.780 1.00 0.00 ? 18 LEU A HD11 1
569
+ ATOM 289 H HD12 . LEU A 1 18 ? 1.933 -4.324 -1.719 1.00 0.00 ? 18 LEU A HD12 1
570
+ ATOM 290 H HD13 . LEU A 1 18 ? 1.771 -5.941 -2.399 1.00 0.00 ? 18 LEU A HD13 1
571
+ ATOM 291 H HD21 . LEU A 1 18 ? 0.491 -7.514 -0.342 1.00 0.00 ? 18 LEU A HD21 1
572
+ ATOM 292 H HD22 . LEU A 1 18 ? -0.053 -6.037 -1.133 1.00 0.00 ? 18 LEU A HD22 1
573
+ ATOM 293 H HD23 . LEU A 1 18 ? -0.044 -6.140 0.622 1.00 0.00 ? 18 LEU A HD23 1
574
+ ATOM 294 N N . ARG A 1 19 ? 4.337 -8.997 2.110 1.00 0.00 ? 19 ARG A N 1
575
+ ATOM 295 C CA . ARG A 1 19 ? 4.941 -10.335 2.293 1.00 0.00 ? 19 ARG A CA 1
576
+ ATOM 296 C C . ARG A 1 19 ? 3.989 -11.252 3.029 1.00 0.00 ? 19 ARG A C 1
577
+ ATOM 297 O O . ARG A 1 19 ? 3.933 -11.251 4.244 1.00 0.00 ? 19 ARG A O 1
578
+ ATOM 298 C CB . ARG A 1 19 ? 6.228 -10.189 3.112 1.00 0.00 ? 19 ARG A CB 1
579
+ ATOM 299 C CG . ARG A 1 19 ? 7.356 -9.729 2.188 1.00 0.00 ? 19 ARG A CG 1
580
+ ATOM 300 C CD . ARG A 1 19 ? 8.641 -9.585 3.003 1.00 0.00 ? 19 ARG A CD 1
581
+ ATOM 301 N NE . ARG A 1 19 ? 9.342 -10.900 3.044 1.00 0.00 ? 19 ARG A NE 1
582
+ ATOM 302 C CZ . ARG A 1 19 ? 10.151 -11.163 4.033 1.00 0.00 ? 19 ARG A CZ 1
583
+ ATOM 303 N NH1 . ARG A 1 19 ? 10.397 -10.230 4.910 1.00 0.00 ? 19 ARG A NH1 1
584
+ ATOM 304 N NH2 . ARG A 1 19 ? 10.688 -12.351 4.111 1.00 0.00 ? 19 ARG A NH2 1
585
+ ATOM 305 H H . ARG A 1 19 ? 4.855 -8.186 2.301 1.00 0.00 ? 19 ARG A H 1
586
+ ATOM 306 H HA . ARG A 1 19 ? 5.148 -10.764 1.314 1.00 0.00 ? 19 ARG A HA 1
587
+ ATOM 307 H HB2 . ARG A 1 19 ? 6.079 -9.459 3.894 1.00 0.00 ? 19 ARG A HB2 1
588
+ ATOM 308 H HB3 . ARG A 1 19 ? 6.485 -11.139 3.556 1.00 0.00 ? 19 ARG A HB3 1
589
+ ATOM 309 H HG2 . ARG A 1 19 ? 7.502 -10.458 1.405 1.00 0.00 ? 19 ARG A HG2 1
590
+ ATOM 310 H HG3 . ARG A 1 19 ? 7.097 -8.780 1.745 1.00 0.00 ? 19 ARG A HG3 1
591
+ ATOM 311 H HD2 . ARG A 1 19 ? 9.286 -8.850 2.542 1.00 0.00 ? 19 ARG A HD2 1
592
+ ATOM 312 H HD3 . ARG A 1 19 ? 8.404 -9.274 4.009 1.00 0.00 ? 19 ARG A HD3 1
593
+ ATOM 313 H HE . ARG A 1 19 ? 9.194 -11.561 2.335 1.00 0.00 ? 19 ARG A HE 1
594
+ ATOM 314 H HH11 . ARG A 1 19 ? 9.969 -9.331 4.818 1.00 0.00 ? 19 ARG A HH11 1
595
+ ATOM 315 H HH12 . ARG A 1 19 ? 11.014 -10.414 5.676 1.00 0.00 ? 19 ARG A HH12 1
596
+ ATOM 316 H HH21 . ARG A 1 19 ? 10.477 -13.041 3.418 1.00 0.00 ? 19 ARG A HH21 1
597
+ ATOM 317 H HH22 . ARG A 1 19 ? 11.309 -12.570 4.863 1.00 0.00 ? 19 ARG A HH22 1
598
+ ATOM 318 N N . GLY A 1 20 ? 3.259 -12.021 2.274 1.00 0.00 ? 20 GLY A N 1
599
+ ATOM 319 C CA . GLY A 1 20 ? 2.288 -12.961 2.886 1.00 0.00 ? 20 GLY A CA 1
600
+ ATOM 320 C C . GLY A 1 20 ? 0.953 -12.861 2.162 1.00 0.00 ? 20 GLY A C 1
601
+ ATOM 321 O O . GLY A 1 20 ? 0.092 -13.704 2.324 1.00 0.00 ? 20 GLY A O 1
602
+ ATOM 322 H H . GLY A 1 20 ? 3.352 -11.979 1.298 1.00 0.00 ? 20 GLY A H 1
603
+ ATOM 323 H HA2 . GLY A 1 20 ? 2.666 -13.970 2.802 1.00 0.00 ? 20 GLY A HA2 1
604
+ ATOM 324 H HA3 . GLY A 1 20 ? 2.151 -12.716 3.927 1.00 0.00 ? 20 GLY A HA3 1
605
+ ATOM 325 N N . LEU A 1 21 ? 0.801 -11.824 1.373 1.00 0.00 ? 21 LEU A N 1
606
+ ATOM 326 C CA . LEU A 1 21 ? -0.469 -11.662 0.638 1.00 0.00 ? 21 LEU A CA 1
607
+ ATOM 327 C C . LEU A 1 21 ? -0.389 -12.320 -0.731 1.00 0.00 ? 21 LEU A C 1
608
+ ATOM 328 O O . LEU A 1 21 ? 0.523 -12.068 -1.494 1.00 0.00 ? 21 LEU A O 1
609
+ ATOM 329 C CB . LEU A 1 21 ? -0.739 -10.162 0.456 1.00 0.00 ? 21 LEU A CB 1
610
+ ATOM 330 C CG . LEU A 1 21 ? -0.791 -9.479 1.828 1.00 0.00 ? 21 LEU A CG 1
611
+ ATOM 331 C CD1 . LEU A 1 21 ? -1.436 -8.102 1.674 1.00 0.00 ? 21 LEU A CD1 1
612
+ ATOM 332 C CD2 . LEU A 1 21 ? -1.634 -10.322 2.791 1.00 0.00 ? 21 LEU A CD2 1
613
+ ATOM 333 H H . LEU A 1 21 ? 1.526 -11.157 1.270 1.00 0.00 ? 21 LEU A H 1
614
+ ATOM 334 H HA . LEU A 1 21 ? -1.266 -12.133 1.205 1.00 0.00 ? 21 LEU A HA 1
615
+ ATOM 335 H HB2 . LEU A 1 21 ? 0.052 -9.723 -0.133 1.00 0.00 ? 21 LEU A HB2 1
616
+ ATOM 336 H HB3 . LEU A 1 21 ? -1.678 -10.023 -0.054 1.00 0.00 ? 21 LEU A HB3 1
617
+ ATOM 337 H HG . LEU A 1 21 ? 0.210 -9.370 2.221 1.00 0.00 ? 21 LEU A HG 1
618
+ ATOM 338 H HD11 . LEU A 1 21 ? -0.869 -7.371 2.229 1.00 0.00 ? 21 LEU A HD11 1
619
+ ATOM 339 H HD12 . LEU A 1 21 ? -2.447 -8.129 2.052 1.00 0.00 ? 21 LEU A HD12 1
620
+ ATOM 340 H HD13 . LEU A 1 21 ? -1.454 -7.823 0.631 1.00 0.00 ? 21 LEU A HD13 1
621
+ ATOM 341 H HD21 . LEU A 1 21 ? -1.052 -11.156 3.151 1.00 0.00 ? 21 LEU A HD21 1
622
+ ATOM 342 H HD22 . LEU A 1 21 ? -2.511 -10.691 2.280 1.00 0.00 ? 21 LEU A HD22 1
623
+ ATOM 343 H HD23 . LEU A 1 21 ? -1.941 -9.716 3.630 1.00 0.00 ? 21 LEU A HD23 1
624
+ ATOM 344 N N . SER A 1 22 ? -1.348 -13.158 -1.015 1.00 0.00 ? 22 SER A N 1
625
+ ATOM 345 C CA . SER A 1 22 ? -1.351 -13.847 -2.327 1.00 0.00 ? 22 SER A CA 1
626
+ ATOM 346 C C . SER A 1 22 ? -1.114 -12.858 -3.458 1.00 0.00 ? 22 SER A C 1
627
+ ATOM 347 O O . SER A 1 22 ? -1.224 -11.661 -3.275 1.00 0.00 ? 22 SER A O 1
628
+ ATOM 348 C CB . SER A 1 22 ? -2.723 -14.505 -2.526 1.00 0.00 ? 22 SER A CB 1
629
+ ATOM 349 O OG . SER A 1 22 ? -2.927 -15.251 -1.336 1.00 0.00 ? 22 SER A OG 1
630
+ ATOM 350 H H . SER A 1 22 ? -2.060 -13.332 -0.366 1.00 0.00 ? 22 SER A H 1
631
+ ATOM 351 H HA . SER A 1 22 ? -0.558 -14.594 -2.337 1.00 0.00 ? 22 SER A HA 1
632
+ ATOM 352 H HB2 . SER A 1 22 ? -3.493 -13.758 -2.634 1.00 0.00 ? 22 SER A HB2 1
633
+ ATOM 353 H HB3 . SER A 1 22 ? -2.713 -15.163 -3.382 1.00 0.00 ? 22 SER A HB3 1
634
+ ATOM 354 H HG . SER A 1 22 ? -3.864 -15.444 -1.263 1.00 0.00 ? 22 SER A HG 1
635
+ ATOM 355 N N . LYS A 1 23 ? -0.796 -13.375 -4.611 1.00 0.00 ? 23 LYS A N 1
636
+ ATOM 356 C CA . LYS A 1 23 ? -0.548 -12.483 -5.766 1.00 0.00 ? 23 LYS A CA 1
637
+ ATOM 357 C C . LYS A 1 23 ? -1.789 -11.671 -6.104 1.00 0.00 ? 23 LYS A C 1
638
+ ATOM 358 O O . LYS A 1 23 ? -1.706 -10.650 -6.750 1.00 0.00 ? 23 LYS A O 1
639
+ ATOM 359 C CB . LYS A 1 23 ? -0.178 -13.352 -6.976 1.00 0.00 ? 23 LYS A CB 1
640
+ ATOM 360 C CG . LYS A 1 23 ? -1.447 -13.995 -7.540 1.00 0.00 ? 23 LYS A CG 1
641
+ ATOM 361 C CD . LYS A 1 23 ? -1.060 -15.205 -8.394 1.00 0.00 ? 23 LYS A CD 1
642
+ ATOM 362 C CE . LYS A 1 23 ? -1.925 -15.228 -9.656 1.00 0.00 ? 23 LYS A CE 1
643
+ ATOM 363 N NZ . LYS A 1 23 ? -3.369 -15.326 -9.298 1.00 0.00 ? 23 LYS A NZ 1
644
+ ATOM 364 H H . LYS A 1 23 ? -0.722 -14.347 -4.714 1.00 0.00 ? 23 LYS A H 1
645
+ ATOM 365 H HA . LYS A 1 23 ? 0.262 -11.799 -5.518 1.00 0.00 ? 23 LYS A HA 1
646
+ ATOM 366 H HB2 . LYS A 1 23 ? 0.285 -12.739 -7.735 1.00 0.00 ? 23 LYS A HB2 1
647
+ ATOM 367 H HB3 . LYS A 1 23 ? 0.512 -14.122 -6.671 1.00 0.00 ? 23 LYS A HB3 1
648
+ ATOM 368 H HG2 . LYS A 1 23 ? -2.085 -14.312 -6.729 1.00 0.00 ? 23 LYS A HG2 1
649
+ ATOM 369 H HG3 . LYS A 1 23 ? -1.977 -13.278 -8.148 1.00 0.00 ? 23 LYS A HG3 1
650
+ ATOM 370 H HD2 . LYS A 1 23 ? -0.018 -15.136 -8.671 1.00 0.00 ? 23 LYS A HD2 1
651
+ ATOM 371 H HD3 . LYS A 1 23 ? -1.216 -16.112 -7.829 1.00 0.00 ? 23 LYS A HD3 1
652
+ ATOM 372 H HE2 . LYS A 1 23 ? -1.763 -14.322 -10.222 1.00 0.00 ? 23 LYS A HE2 1
653
+ ATOM 373 H HE3 . LYS A 1 23 ? -1.655 -16.077 -10.265 1.00 0.00 ? 23 LYS A HE3 1
654
+ ATOM 374 H HZ1 . LYS A 1 23 ? -3.911 -15.638 -10.129 1.00 0.00 ? 23 LYS A HZ1 1
655
+ ATOM 375 H HZ2 . LYS A 1 23 ? -3.714 -14.395 -8.989 1.00 0.00 ? 23 LYS A HZ2 1
656
+ ATOM 376 H HZ3 . LYS A 1 23 ? -3.490 -16.015 -8.528 1.00 0.00 ? 23 LYS A HZ3 1
657
+ ATOM 377 N N . GLU A 1 24 ? -2.920 -12.141 -5.666 1.00 0.00 ? 24 GLU A N 1
658
+ ATOM 378 C CA . GLU A 1 24 ? -4.170 -11.403 -5.956 1.00 0.00 ? 24 GLU A CA 1
659
+ ATOM 379 C C . GLU A 1 24 ? -4.415 -10.322 -4.914 1.00 0.00 ? 24 GLU A C 1
660
+ ATOM 380 O O . GLU A 1 24 ? -4.961 -9.284 -5.216 1.00 0.00 ? 24 GLU A O 1
661
+ ATOM 381 C CB . GLU A 1 24 ? -5.343 -12.396 -5.930 1.00 0.00 ? 24 GLU A CB 1
662
+ ATOM 382 C CG . GLU A 1 24 ? -6.456 -11.880 -6.845 1.00 0.00 ? 24 GLU A CG 1
663
+ ATOM 383 C CD . GLU A 1 24 ? -7.572 -12.927 -6.925 1.00 0.00 ? 24 GLU A CD 1
664
+ ATOM 384 O OE1 . GLU A 1 24 ? -7.217 -14.094 -6.969 1.00 0.00 ? 24 GLU A OE1 1
665
+ ATOM 385 O OE2 . GLU A 1 24 ? -8.714 -12.501 -6.936 1.00 0.00 ? 24 GLU A OE2 1
666
+ ATOM 386 H H . GLU A 1 24 ? -2.944 -12.975 -5.155 1.00 0.00 ? 24 GLU A H 1
667
+ ATOM 387 H HA . GLU A 1 24 ? -4.082 -10.931 -6.936 1.00 0.00 ? 24 GLU A HA 1
668
+ ATOM 388 H HB2 . GLU A 1 24 ? -5.008 -13.363 -6.274 1.00 0.00 ? 24 GLU A HB2 1
669
+ ATOM 389 H HB3 . GLU A 1 24 ? -5.716 -12.488 -4.920 1.00 0.00 ? 24 GLU A HB3 1
670
+ ATOM 390 H HG2 . GLU A 1 24 ? -6.859 -10.960 -6.449 1.00 0.00 ? 24 GLU A HG2 1
671
+ ATOM 391 H HG3 . GLU A 1 24 ? -6.064 -11.702 -7.835 1.00 0.00 ? 24 GLU A HG3 1
672
+ ATOM 392 N N . GLU A 1 25 ? -4.006 -10.580 -3.701 1.00 0.00 ? 25 GLU A N 1
673
+ ATOM 393 C CA . GLU A 1 25 ? -4.214 -9.571 -2.644 1.00 0.00 ? 25 GLU A CA 1
674
+ ATOM 394 C C . GLU A 1 25 ? -3.161 -8.483 -2.751 1.00 0.00 ? 25 GLU A C 1
675
+ ATOM 395 O O . GLU A 1 25 ? -3.277 -7.438 -2.144 1.00 0.00 ? 25 GLU A O 1
676
+ ATOM 396 C CB . GLU A 1 25 ? -4.091 -10.258 -1.277 1.00 0.00 ? 25 GLU A CB 1
677
+ ATOM 397 C CG . GLU A 1 25 ? -5.460 -10.814 -0.874 1.00 0.00 ? 25 GLU A CG 1
678
+ ATOM 398 C CD . GLU A 1 25 ? -6.041 -11.622 -2.037 1.00 0.00 ? 25 GLU A CD 1
679
+ ATOM 399 O OE1 . GLU A 1 25 ? -5.421 -12.617 -2.368 1.00 0.00 ? 25 GLU A OE1 1
680
+ ATOM 400 O OE2 . GLU A 1 25 ? -7.075 -11.198 -2.528 1.00 0.00 ? 25 GLU A OE2 1
681
+ ATOM 401 H H . GLU A 1 25 ? -3.561 -11.427 -3.495 1.00 0.00 ? 25 GLU A H 1
682
+ ATOM 402 H HA . GLU A 1 25 ? -5.200 -9.123 -2.769 1.00 0.00 ? 25 GLU A HA 1
683
+ ATOM 403 H HB2 . GLU A 1 25 ? -3.375 -11.063 -1.338 1.00 0.00 ? 25 GLU A HB2 1
684
+ ATOM 404 H HB3 . GLU A 1 25 ? -3.760 -9.543 -0.540 1.00 0.00 ? 25 GLU A HB3 1
685
+ ATOM 405 H HG2 . GLU A 1 25 ? -5.354 -11.456 -0.011 1.00 0.00 ? 25 GLU A HG2 1
686
+ ATOM 406 H HG3 . GLU A 1 25 ? -6.129 -10.001 -0.636 1.00 0.00 ? 25 GLU A HG3 1
687
+ ATOM 407 N N . ILE A 1 26 ? -2.145 -8.753 -3.527 1.00 0.00 ? 26 ILE A N 1
688
+ ATOM 408 C CA . ILE A 1 26 ? -1.073 -7.755 -3.693 1.00 0.00 ? 26 ILE A CA 1
689
+ ATOM 409 C C . ILE A 1 26 ? -1.484 -6.716 -4.725 1.00 0.00 ? 26 ILE A C 1
690
+ ATOM 410 O O . ILE A 1 26 ? -1.180 -5.546 -4.594 1.00 0.00 ? 26 ILE A O 1
691
+ ATOM 411 C CB . ILE A 1 26 ? 0.180 -8.486 -4.190 1.00 0.00 ? 26 ILE A CB 1
692
+ ATOM 412 C CG1 . ILE A 1 26 ? 0.996 -8.962 -3.000 1.00 0.00 ? 26 ILE A CG1 1
693
+ ATOM 413 C CG2 . ILE A 1 26 ? 1.040 -7.509 -5.016 1.00 0.00 ? 26 ILE A CG2 1
694
+ ATOM 414 C CD1 . ILE A 1 26 ? 2.041 -9.970 -3.475 1.00 0.00 ? 26 ILE A CD1 1
695
+ ATOM 415 H H . ILE A 1 26 ? -2.093 -9.612 -3.997 1.00 0.00 ? 26 ILE A H 1
696
+ ATOM 416 H HA . ILE A 1 26 ? -0.889 -7.266 -2.739 1.00 0.00 ? 26 ILE A HA 1
697
+ ATOM 417 H HB . ILE A 1 26 ? -0.121 -9.347 -4.791 1.00 0.00 ? 26 ILE A HB 1
698
+ ATOM 418 H HG12 . ILE A 1 26 ? 1.487 -8.120 -2.536 1.00 0.00 ? 26 ILE A HG12 1
699
+ ATOM 419 H HG13 . ILE A 1 26 ? 0.343 -9.432 -2.281 1.00 0.00 ? 26 ILE A HG13 1
700
+ ATOM 420 H HG21 . ILE A 1 26 ? 2.011 -7.943 -5.197 1.00 0.00 ? 26 ILE A HG21 1
701
+ ATOM 421 H HG22 . ILE A 1 26 ? 1.159 -6.581 -4.477 1.00 0.00 ? 26 ILE A HG22 1
702
+ ATOM 422 H HG23 . ILE A 1 26 ? 0.558 -7.311 -5.964 1.00 0.00 ? 26 ILE A HG23 1
703
+ ATOM 423 H HD11 . ILE A 1 26 ? 2.928 -9.449 -3.801 1.00 0.00 ? 26 ILE A HD11 1
704
+ ATOM 424 H HD12 . ILE A 1 26 ? 1.645 -10.546 -4.299 1.00 0.00 ? 26 ILE A HD12 1
705
+ ATOM 425 H HD13 . ILE A 1 26 ? 2.297 -10.637 -2.666 1.00 0.00 ? 26 ILE A HD13 1
706
+ ATOM 426 N N . ILE A 1 27 ? -2.173 -7.168 -5.732 1.00 0.00 ? 27 ILE A N 1
707
+ ATOM 427 C CA . ILE A 1 27 ? -2.620 -6.239 -6.787 1.00 0.00 ? 27 ILE A CA 1
708
+ ATOM 428 C C . ILE A 1 27 ? -3.700 -5.305 -6.259 1.00 0.00 ? 27 ILE A C 1
709
+ ATOM 429 O O . ILE A 1 27 ? -3.786 -4.161 -6.657 1.00 0.00 ? 27 ILE A O 1
710
+ ATOM 430 C CB . ILE A 1 27 ? -3.179 -7.075 -7.946 1.00 0.00 ? 27 ILE A CB 1
711
+ ATOM 431 C CG1 . ILE A 1 27 ? -2.079 -7.324 -8.969 1.00 0.00 ? 27 ILE A CG1 1
712
+ ATOM 432 C CG2 . ILE A 1 27 ? -4.317 -6.295 -8.638 1.00 0.00 ? 27 ILE A CG2 1
713
+ ATOM 433 C CD1 . ILE A 1 27 ? -0.973 -8.166 -8.329 1.00 0.00 ? 27 ILE A CD1 1
714
+ ATOM 434 H H . ILE A 1 27 ? -2.393 -8.120 -5.789 1.00 0.00 ? 27 ILE A H 1
715
+ ATOM 435 H HA . ILE A 1 27 ? -1.772 -5.650 -7.115 1.00 0.00 ? 27 ILE A HA 1
716
+ ATOM 436 H HB . ILE A 1 27 ? -3.537 -8.034 -7.558 1.00 0.00 ? 27 ILE A HB 1
717
+ ATOM 437 H HG12 . ILE A 1 27 ? -2.485 -7.850 -9.819 1.00 0.00 ? 27 ILE A HG12 1
718
+ ATOM 438 H HG13 . ILE A 1 27 ? -1.669 -6.381 -9.298 1.00 0.00 ? 27 ILE A HG13 1
719
+ ATOM 439 H HG21 . ILE A 1 27 ? -3.988 -5.291 -8.859 1.00 0.00 ? 27 ILE A HG21 1
720
+ ATOM 440 H HG22 . ILE A 1 27 ? -5.178 -6.253 -7.988 1.00 0.00 ? 27 ILE A HG22 1
721
+ ATOM 441 H HG23 . ILE A 1 27 ? -4.590 -6.789 -9.559 1.00 0.00 ? 27 ILE A HG23 1
722
+ ATOM 442 H HD11 . ILE A 1 27 ? -1.245 -8.423 -7.321 1.00 0.00 ? 27 ILE A HD11 1
723
+ ATOM 443 H HD12 . ILE A 1 27 ? -0.051 -7.603 -8.315 1.00 0.00 ? 27 ILE A HD12 1
724
+ ATOM 444 H HD13 . ILE A 1 27 ? -0.828 -9.071 -8.899 1.00 0.00 ? 27 ILE A HD13 1
725
+ ATOM 445 N N . GLN A 1 28 ? -4.504 -5.812 -5.373 1.00 0.00 ? 28 GLN A N 1
726
+ ATOM 446 C CA . GLN A 1 28 ? -5.583 -4.968 -4.806 1.00 0.00 ? 28 GLN A CA 1
727
+ ATOM 447 C C . GLN A 1 28 ? -5.003 -3.808 -4.006 1.00 0.00 ? 28 GLN A C 1
728
+ ATOM 448 O O . GLN A 1 28 ? -5.619 -2.768 -3.884 1.00 0.00 ? 28 GLN A O 1
729
+ ATOM 449 C CB . GLN A 1 28 ? -6.437 -5.838 -3.870 1.00 0.00 ? 28 GLN A CB 1
730
+ ATOM 450 C CG . GLN A 1 28 ? -7.018 -7.008 -4.665 1.00 0.00 ? 28 GLN A CG 1
731
+ ATOM 451 C CD . GLN A 1 28 ? -8.271 -6.545 -5.409 1.00 0.00 ? 28 GLN A CD 1
732
+ ATOM 452 O OE1 . GLN A 1 28 ? -8.211 -5.709 -6.287 1.00 0.00 ? 28 GLN A OE1 1
733
+ ATOM 453 N NE2 . GLN A 1 28 ? -9.425 -7.063 -5.089 1.00 0.00 ? 28 GLN A NE2 1
734
+ ATOM 454 H H . GLN A 1 28 ? -4.397 -6.743 -5.085 1.00 0.00 ? 28 GLN A H 1
735
+ ATOM 455 H HA . GLN A 1 28 ? -6.186 -4.570 -5.621 1.00 0.00 ? 28 GLN A HA 1
736
+ ATOM 456 H HB2 . GLN A 1 28 ? -5.824 -6.215 -3.065 1.00 0.00 ? 28 GLN A HB2 1
737
+ ATOM 457 H HB3 . GLN A 1 28 ? -7.240 -5.246 -3.456 1.00 0.00 ? 28 GLN A HB3 1
738
+ ATOM 458 H HG2 . GLN A 1 28 ? -6.292 -7.358 -5.380 1.00 0.00 ? 28 GLN A HG2 1
739
+ ATOM 459 H HG3 . GLN A 1 28 ? -7.277 -7.815 -3.994 1.00 0.00 ? 28 GLN A HG3 1
740
+ ATOM 460 H HE21 . GLN A 1 28 ? -9.480 -7.739 -4.382 1.00 0.00 ? 28 GLN A HE21 1
741
+ ATOM 461 H HE22 . GLN A 1 28 ? -10.237 -6.777 -5.558 1.00 0.00 ? 28 GLN A HE22 1
742
+ ATOM 462 N N . LEU A 1 29 ? -3.825 -4.007 -3.474 1.00 0.00 ? 29 LEU A N 1
743
+ ATOM 463 C CA . LEU A 1 29 ? -3.192 -2.926 -2.679 1.00 0.00 ? 29 LEU A CA 1
744
+ ATOM 464 C C . LEU A 1 29 ? -2.269 -2.069 -3.545 1.00 0.00 ? 29 LEU A C 1
745
+ ATOM 465 O O . LEU A 1 29 ? -2.054 -0.907 -3.260 1.00 0.00 ? 29 LEU A O 1
746
+ ATOM 466 C CB . LEU A 1 29 ? -2.361 -3.574 -1.562 1.00 0.00 ? 29 LEU A CB 1
747
+ ATOM 467 C CG . LEU A 1 29 ? -3.192 -3.615 -0.278 1.00 0.00 ? 29 LEU A CG 1
748
+ ATOM 468 C CD1 . LEU A 1 29 ? -4.481 -4.394 -0.539 1.00 0.00 ? 29 LEU A CD1 1
749
+ ATOM 469 C CD2 . LEU A 1 29 ? -2.392 -4.321 0.818 1.00 0.00 ? 29 LEU A CD2 1
750
+ ATOM 470 H H . LEU A 1 29 ? -3.364 -4.864 -3.595 1.00 0.00 ? 29 LEU A H 1
751
+ ATOM 471 H HA . LEU A 1 29 ? -3.971 -2.294 -2.262 1.00 0.00 ? 29 LEU A HA 1
752
+ ATOM 472 H HB2 . LEU A 1 29 ? -2.086 -4.578 -1.849 1.00 0.00 ? 29 LEU A HB2 1
753
+ ATOM 473 H HB3 . LEU A 1 29 ? -1.463 -2.996 -1.396 1.00 0.00 ? 29 LEU A HB3 1
754
+ ATOM 474 H HG . LEU A 1 29 ? -3.430 -2.610 0.035 1.00 0.00 ? 29 LEU A HG 1
755
+ ATOM 475 H HD11 . LEU A 1 29 ? -4.972 -4.613 0.399 1.00 0.00 ? 29 LEU A HD11 1
756
+ ATOM 476 H HD12 . LEU A 1 29 ? -4.252 -5.321 -1.045 1.00 0.00 ? 29 LEU A HD12 1
757
+ ATOM 477 H HD13 . LEU A 1 29 ? -5.144 -3.807 -1.158 1.00 0.00 ? 29 LEU A HD13 1
758
+ ATOM 478 H HD21 . LEU A 1 29 ? -1.428 -3.846 0.931 1.00 0.00 ? 29 LEU A HD21 1
759
+ ATOM 479 H HD22 . LEU A 1 29 ? -2.249 -5.359 0.555 1.00 0.00 ? 29 LEU A HD22 1
760
+ ATOM 480 H HD23 . LEU A 1 29 ? -2.928 -4.263 1.755 1.00 0.00 ? 29 LEU A HD23 1
761
+ ATOM 481 N N . LYS A 1 30 ? -1.741 -2.657 -4.584 1.00 0.00 ? 30 LYS A N 1
762
+ ATOM 482 C CA . LYS A 1 30 ? -0.831 -1.889 -5.474 1.00 0.00 ? 30 LYS A CA 1
763
+ ATOM 483 C C . LYS A 1 30 ? -1.601 -0.865 -6.304 1.00 0.00 ? 30 LYS A C 1
764
+ ATOM 484 O O . LYS A 1 30 ? -1.037 -0.213 -7.162 1.00 0.00 ? 30 LYS A O 1
765
+ ATOM 485 C CB . LYS A 1 30 ? -0.141 -2.878 -6.426 1.00 0.00 ? 30 LYS A CB 1
766
+ ATOM 486 C CG . LYS A 1 30 ? 1.016 -3.556 -5.689 1.00 0.00 ? 30 LYS A CG 1
767
+ ATOM 487 C CD . LYS A 1 30 ? 2.194 -2.584 -5.597 1.00 0.00 ? 30 LYS A CD 1
768
+ ATOM 488 C CE . LYS A 1 30 ? 3.484 -3.380 -5.393 1.00 0.00 ? 30 LYS A CE 1
769
+ ATOM 489 N NZ . LYS A 1 30 ? 4.673 -2.504 -5.585 1.00 0.00 ? 30 LYS A NZ 1
770
+ ATOM 490 H H . LYS A 1 30 ? -1.945 -3.596 -4.777 1.00 0.00 ? 30 LYS A H 1
771
+ ATOM 491 H HA . LYS A 1 30 ? -0.097 -1.367 -4.863 1.00 0.00 ? 30 LYS A HA 1
772
+ ATOM 492 H HB2 . LYS A 1 30 ? -0.852 -3.625 -6.750 1.00 0.00 ? 30 LYS A HB2 1
773
+ ATOM 493 H HB3 . LYS A 1 30 ? 0.237 -2.350 -7.288 1.00 0.00 ? 30 LYS A HB3 1
774
+ ATOM 494 H HG2 . LYS A 1 30 ? 0.697 -3.835 -4.694 1.00 0.00 ? 30 LYS A HG2 1
775
+ ATOM 495 H HG3 . LYS A 1 30 ? 1.319 -4.444 -6.225 1.00 0.00 ? 30 LYS A HG3 1
776
+ ATOM 496 H HD2 . LYS A 1 30 ? 2.263 -2.011 -6.510 1.00 0.00 ? 30 LYS A HD2 1
777
+ ATOM 497 H HD3 . LYS A 1 30 ? 2.046 -1.912 -4.765 1.00 0.00 ? 30 LYS A HD3 1
778
+ ATOM 498 H HE2 . LYS A 1 30 ? 3.503 -3.786 -4.392 1.00 0.00 ? 30 LYS A HE2 1
779
+ ATOM 499 H HE3 . LYS A 1 30 ? 3.525 -4.192 -6.104 1.00 0.00 ? 30 LYS A HE3 1
780
+ ATOM 500 H HZ1 . LYS A 1 30 ? 5.195 -2.427 -4.689 1.00 0.00 ? 30 LYS A HZ1 1
781
+ ATOM 501 H HZ2 . LYS A 1 30 ? 4.361 -1.559 -5.887 1.00 0.00 ? 30 LYS A HZ2 1
782
+ ATOM 502 H HZ3 . LYS A 1 30 ? 5.292 -2.914 -6.314 1.00 0.00 ? 30 LYS A HZ3 1
783
+ ATOM 503 N N . GLN A 1 31 ? -2.876 -0.743 -6.029 1.00 0.00 ? 31 GLN A N 1
784
+ ATOM 504 C CA . GLN A 1 31 ? -3.706 0.229 -6.787 1.00 0.00 ? 31 GLN A CA 1
785
+ ATOM 505 C C . GLN A 1 31 ? -3.966 1.487 -5.969 1.00 0.00 ? 31 GLN A C 1
786
+ ATOM 506 O O . GLN A 1 31 ? -3.535 2.563 -6.329 1.00 0.00 ? 31 GLN A O 1
787
+ ATOM 507 C CB . GLN A 1 31 ? -5.051 -0.440 -7.105 1.00 0.00 ? 31 GLN A CB 1
788
+ ATOM 508 C CG . GLN A 1 31 ? -5.749 0.341 -8.220 1.00 0.00 ? 31 GLN A CG 1
789
+ ATOM 509 C CD . GLN A 1 31 ? -5.392 -0.280 -9.571 1.00 0.00 ? 31 GLN A CD 1
790
+ ATOM 510 O OE1 . GLN A 1 31 ? -4.351 -0.010 -10.136 1.00 0.00 ? 31 GLN A OE1 1
791
+ ATOM 511 N NE2 . GLN A 1 31 ? -6.227 -1.119 -10.124 1.00 0.00 ? 31 GLN A NE2 1
792
+ ATOM 512 H H . GLN A 1 31 ? -3.281 -1.290 -5.332 1.00 0.00 ? 31 GLN A H 1
793
+ ATOM 513 H HA . GLN A 1 31 ? -3.186 0.505 -7.697 1.00 0.00 ? 31 GLN A HA 1
794
+ ATOM 514 H HB2 . GLN A 1 31 ? -4.885 -1.460 -7.425 1.00 0.00 ? 31 GLN A HB2 1
795
+ ATOM 515 H HB3 . GLN A 1 31 ? -5.673 -0.444 -6.222 1.00 0.00 ? 31 GLN A HB3 1
796
+ ATOM 516 H HG2 . GLN A 1 31 ? -6.818 0.300 -8.079 1.00 0.00 ? 31 GLN A HG2 1
797
+ ATOM 517 H HG3 . GLN A 1 31 ? -5.426 1.370 -8.203 1.00 0.00 ? 31 GLN A HG3 1
798
+ ATOM 518 H HE21 . GLN A 1 31 ? -7.067 -1.342 -9.672 1.00 0.00 ? 31 GLN A HE21 1
799
+ ATOM 519 H HE22 . GLN A 1 31 ? -6.013 -1.526 -10.989 1.00 0.00 ? 31 GLN A HE22 1
800
+ ATOM 520 N N . ARG A 1 32 ? -4.669 1.335 -4.886 1.00 0.00 ? 32 ARG A N 1
801
+ ATOM 521 C CA . ARG A 1 32 ? -4.961 2.519 -4.046 1.00 0.00 ? 32 ARG A CA 1
802
+ ATOM 522 C C . ARG A 1 32 ? -3.690 3.293 -3.735 1.00 0.00 ? 32 ARG A C 1
803
+ ATOM 523 O O . ARG A 1 32 ? -3.634 4.493 -3.913 1.00 0.00 ? 32 ARG A O 1
804
+ ATOM 524 C CB . ARG A 1 32 ? -5.584 2.043 -2.727 1.00 0.00 ? 32 ARG A CB 1
805
+ ATOM 525 C CG . ARG A 1 32 ? -6.775 1.138 -3.034 1.00 0.00 ? 32 ARG A CG 1
806
+ ATOM 526 C CD . ARG A 1 32 ? -7.122 0.332 -1.784 1.00 0.00 ? 32 ARG A CD 1
807
+ ATOM 527 N NE . ARG A 1 32 ? -8.490 -0.236 -1.935 1.00 0.00 ? 32 ARG A NE 1
808
+ ATOM 528 C CZ . ARG A 1 32 ? -8.630 -1.502 -2.215 1.00 0.00 ? 32 ARG A CZ 1
809
+ ATOM 529 N NH1 . ARG A 1 32 ? -8.404 -1.908 -3.434 1.00 0.00 ? 32 ARG A NH1 1
810
+ ATOM 530 N NH2 . ARG A 1 32 ? -8.987 -2.322 -1.264 1.00 0.00 ? 32 ARG A NH2 1
811
+ ATOM 531 H H . ARG A 1 32 ? -5.004 0.449 -4.631 1.00 0.00 ? 32 ARG A H 1
812
+ ATOM 532 H HA . ARG A 1 32 ? -5.645 3.173 -4.582 1.00 0.00 ? 32 ARG A HA 1
813
+ ATOM 533 H HB2 . ARG A 1 32 ? -4.849 1.494 -2.156 1.00 0.00 ? 32 ARG A HB2 1
814
+ ATOM 534 H HB3 . ARG A 1 32 ? -5.914 2.895 -2.154 1.00 0.00 ? 32 ARG A HB3 1
815
+ ATOM 535 H HG2 . ARG A 1 32 ? -7.623 1.739 -3.326 1.00 0.00 ? 32 ARG A HG2 1
816
+ ATOM 536 H HG3 . ARG A 1 32 ? -6.523 0.465 -3.842 1.00 0.00 ? 32 ARG A HG3 1
817
+ ATOM 537 H HD2 . ARG A 1 32 ? -6.413 -0.471 -1.658 1.00 0.00 ? 32 ARG A HD2 1
818
+ ATOM 538 H HD3 . ARG A 1 32 ? -7.095 0.973 -0.917 1.00 0.00 ? 32 ARG A HD3 1
819
+ ATOM 539 H HE . ARG A 1 32 ? -9.278 0.337 -1.826 1.00 0.00 ? 32 ARG A HE 1
820
+ ATOM 540 H HH11 . ARG A 1 32 ? -8.130 -1.252 -4.137 1.00 0.00 ? 32 ARG A HH11 1
821
+ ATOM 541 H HH12 . ARG A 1 32 ? -8.508 -2.875 -3.667 1.00 0.00 ? 32 ARG A HH12 1
822
+ ATOM 542 H HH21 . ARG A 1 32 ? -9.148 -1.977 -0.340 1.00 0.00 ? 32 ARG A HH21 1
823
+ ATOM 543 H HH22 . ARG A 1 32 ? -9.099 -3.297 -1.460 1.00 0.00 ? 32 ARG A HH22 1
824
+ ATOM 544 N N . ARG A 1 33 ? -2.687 2.596 -3.276 1.00 0.00 ? 33 ARG A N 1
825
+ ATOM 545 C CA . ARG A 1 33 ? -1.421 3.289 -2.954 1.00 0.00 ? 33 ARG A CA 1
826
+ ATOM 546 C C . ARG A 1 33 ? -1.007 4.206 -4.099 1.00 0.00 ? 33 ARG A C 1
827
+ ATOM 547 O O . ARG A 1 33 ? -0.424 5.249 -3.880 1.00 0.00 ? 33 ARG A O 1
828
+ ATOM 548 C CB . ARG A 1 33 ? -0.325 2.231 -2.731 1.00 0.00 ? 33 ARG A CB 1
829
+ ATOM 549 C CG . ARG A 1 33 ? 1.051 2.901 -2.815 1.00 0.00 ? 33 ARG A CG 1
830
+ ATOM 550 C CD . ARG A 1 33 ? 1.562 2.827 -4.256 1.00 0.00 ? 33 ARG A CD 1
831
+ ATOM 551 N NE . ARG A 1 33 ? 2.551 1.717 -4.360 1.00 0.00 ? 33 ARG A NE 1
832
+ ATOM 552 C CZ . ARG A 1 33 ? 2.999 1.361 -5.534 1.00 0.00 ? 33 ARG A CZ 1
833
+ ATOM 553 N NH1 . ARG A 1 33 ? 2.358 0.441 -6.204 1.00 0.00 ? 33 ARG A NH1 1
834
+ ATOM 554 N NH2 . ARG A 1 33 ? 4.072 1.939 -6.001 1.00 0.00 ? 33 ARG A NH2 1
835
+ ATOM 555 H H . ARG A 1 33 ? -2.772 1.628 -3.148 1.00 0.00 ? 33 ARG A H 1
836
+ ATOM 556 H HA . ARG A 1 33 ? -1.571 3.891 -2.056 1.00 0.00 ? 33 ARG A HA 1
837
+ ATOM 557 H HB2 . ARG A 1 33 ? -0.449 1.783 -1.759 1.00 0.00 ? 33 ARG A HB2 1
838
+ ATOM 558 H HB3 . ARG A 1 33 ? -0.403 1.462 -3.485 1.00 0.00 ? 33 ARG A HB3 1
839
+ ATOM 559 H HG2 . ARG A 1 33 ? 0.973 3.932 -2.509 1.00 0.00 ? 33 ARG A HG2 1
840
+ ATOM 560 H HG3 . ARG A 1 33 ? 1.743 2.390 -2.160 1.00 0.00 ? 33 ARG A HG3 1
841
+ ATOM 561 H HD2 . ARG A 1 33 ? 0.739 2.640 -4.929 1.00 0.00 ? 33 ARG A HD2 1
842
+ ATOM 562 H HD3 . ARG A 1 33 ? 2.040 3.758 -4.524 1.00 0.00 ? 33 ARG A HD3 1
843
+ ATOM 563 H HE . ARG A 1 33 ? 2.863 1.257 -3.552 1.00 0.00 ? 33 ARG A HE 1
844
+ ATOM 564 H HH11 . ARG A 1 33 ? 1.537 0.021 -5.817 1.00 0.00 ? 33 ARG A HH11 1
845
+ ATOM 565 H HH12 . ARG A 1 33 ? 2.689 0.155 -7.103 1.00 0.00 ? 33 ARG A HH12 1
846
+ ATOM 566 H HH21 . ARG A 1 33 ? 4.536 2.642 -5.462 1.00 0.00 ? 33 ARG A HH21 1
847
+ ATOM 567 H HH22 . ARG A 1 33 ? 4.429 1.678 -6.898 1.00 0.00 ? 33 ARG A HH22 1
848
+ ATOM 568 N N . ARG A 1 34 ? -1.315 3.803 -5.306 1.00 0.00 ? 34 ARG A N 1
849
+ ATOM 569 C CA . ARG A 1 34 ? -0.940 4.650 -6.459 1.00 0.00 ? 34 ARG A CA 1
850
+ ATOM 570 C C . ARG A 1 34 ? -1.931 5.802 -6.616 1.00 0.00 ? 34 ARG A C 1
851
+ ATOM 571 O O . ARG A 1 34 ? -1.614 6.819 -7.199 1.00 0.00 ? 34 ARG A O 1
852
+ ATOM 572 C CB . ARG A 1 34 ? -0.953 3.773 -7.739 1.00 0.00 ? 34 ARG A CB 1
853
+ ATOM 573 C CG . ARG A 1 34 ? -1.485 4.585 -8.929 1.00 0.00 ? 34 ARG A CG 1
854
+ ATOM 574 C CD . ARG A 1 34 ? -1.341 3.757 -10.206 1.00 0.00 ? 34 ARG A CD 1
855
+ ATOM 575 N NE . ARG A 1 34 ? -2.427 4.141 -11.151 1.00 0.00 ? 34 ARG A NE 1
856
+ ATOM 576 C CZ . ARG A 1 34 ? -3.300 3.244 -11.519 1.00 0.00 ? 34 ARG A CZ 1
857
+ ATOM 577 N NH1 . ARG A 1 34 ? -3.007 2.450 -12.509 1.00 0.00 ? 34 ARG A NH1 1
858
+ ATOM 578 N NH2 . ARG A 1 34 ? -4.437 3.173 -10.882 1.00 0.00 ? 34 ARG A NH2 1
859
+ ATOM 579 H H . ARG A 1 34 ? -1.786 2.951 -5.445 1.00 0.00 ? 34 ARG A H 1
860
+ ATOM 580 H HA . ARG A 1 34 ? 0.052 5.061 -6.284 1.00 0.00 ? 34 ARG A HA 1
861
+ ATOM 581 H HB2 . ARG A 1 34 ? 0.050 3.437 -7.954 1.00 0.00 ? 34 ARG A HB2 1
862
+ ATOM 582 H HB3 . ARG A 1 34 ? -1.582 2.912 -7.582 1.00 0.00 ? 34 ARG A HB3 1
863
+ ATOM 583 H HG2 . ARG A 1 34 ? -2.525 4.826 -8.769 1.00 0.00 ? 34 ARG A HG2 1
864
+ ATOM 584 H HG3 . ARG A 1 34 ? -0.920 5.500 -9.026 1.00 0.00 ? 34 ARG A HG3 1
865
+ ATOM 585 H HD2 . ARG A 1 34 ? -0.382 3.951 -10.664 1.00 0.00 ? 34 ARG A HD2 1
866
+ ATOM 586 H HD3 . ARG A 1 34 ? -1.422 2.706 -9.974 1.00 0.00 ? 34 ARG A HD3 1
867
+ ATOM 587 H HE . ARG A 1 34 ? -2.485 5.057 -11.493 1.00 0.00 ? 34 ARG A HE 1
868
+ ATOM 588 H HH11 . ARG A 1 34 ? -2.123 2.532 -12.972 1.00 0.00 ? 34 ARG A HH11 1
869
+ ATOM 589 H HH12 . ARG A 1 34 ? -3.665 1.758 -12.807 1.00 0.00 ? 34 ARG A HH12 1
870
+ ATOM 590 H HH21 . ARG A 1 34 ? -4.626 3.799 -10.126 1.00 0.00 ? 34 ARG A HH21 1
871
+ ATOM 591 H HH22 . ARG A 1 34 ? -5.119 2.493 -11.152 1.00 0.00 ? 34 ARG A HH22 1
872
+ ATOM 592 N N . THR A 1 35 ? -3.113 5.624 -6.086 1.00 0.00 ? 35 THR A N 1
873
+ ATOM 593 C CA . THR A 1 35 ? -4.125 6.701 -6.199 1.00 0.00 ? 35 THR A CA 1
874
+ ATOM 594 C C . THR A 1 35 ? -3.881 7.794 -5.177 1.00 0.00 ? 35 THR A C 1
875
+ ATOM 595 O O . THR A 1 35 ? -3.986 8.966 -5.483 1.00 0.00 ? 35 THR A O 1
876
+ ATOM 596 C CB . THR A 1 35 ? -5.503 6.100 -5.953 1.00 0.00 ? 35 THR A CB 1
877
+ ATOM 597 O OG1 . THR A 1 35 ? -5.512 4.880 -6.663 1.00 0.00 ? 35 THR A OG1 1
878
+ ATOM 598 C CG2 . THR A 1 35 ? -6.596 6.946 -6.619 1.00 0.00 ? 35 THR A CG2 1
879
+ ATOM 599 H H . THR A 1 35 ? -3.332 4.785 -5.618 1.00 0.00 ? 35 THR A H 1
880
+ ATOM 600 H HA . THR A 1 35 ? -4.066 7.134 -7.189 1.00 0.00 ? 35 THR A HA 1
881
+ ATOM 601 H HB . THR A 1 35 ? -5.682 5.936 -4.899 1.00 0.00 ? 35 THR A HB 1
882
+ ATOM 602 H HG1 . THR A 1 35 ? -5.225 5.058 -7.561 1.00 0.00 ? 35 THR A HG1 1
883
+ ATOM 603 H HG21 . THR A 1 35 ? -6.477 7.983 -6.338 1.00 0.00 ? 35 THR A HG21 1
884
+ ATOM 604 H HG22 . THR A 1 35 ? -7.568 6.602 -6.301 1.00 0.00 ? 35 THR A HG22 1
885
+ ATOM 605 H HG23 . THR A 1 35 ? -6.521 6.859 -7.693 1.00 0.00 ? 35 THR A HG23 1
886
+ ATOM 606 N N . LEU A 1 36 ? -3.560 7.404 -3.976 1.00 0.00 ? 36 LEU A N 1
887
+ ATOM 607 C CA . LEU A 1 36 ? -3.311 8.426 -2.940 1.00 0.00 ? 36 LEU A CA 1
888
+ ATOM 608 C C . LEU A 1 36 ? -2.185 9.348 -3.362 1.00 0.00 ? 36 LEU A C 1
889
+ ATOM 609 O O . LEU A 1 36 ? -2.341 10.553 -3.398 1.00 0.00 ? 36 LEU A O 1
890
+ ATOM 610 C CB . LEU A 1 36 ? -2.892 7.726 -1.649 1.00 0.00 ? 36 LEU A CB 1
891
+ ATOM 611 C CG . LEU A 1 36 ? -4.127 7.177 -0.942 1.00 0.00 ? 36 LEU A CG 1
892
+ ATOM 612 C CD1 . LEU A 1 36 ? -3.687 6.454 0.331 1.00 0.00 ? 36 LEU A CD1 1
893
+ ATOM 613 C CD2 . LEU A 1 36 ? -5.051 8.338 -0.570 1.00 0.00 ? 36 LEU A CD2 1
894
+ ATOM 614 H H . LEU A 1 36 ? -3.477 6.445 -3.764 1.00 0.00 ? 36 LEU A H 1
895
+ ATOM 615 H HA . LEU A 1 36 ? -4.216 9.011 -2.789 1.00 0.00 ? 36 LEU A HA 1
896
+ ATOM 616 H HB2 . LEU A 1 36 ? -2.212 6.917 -1.878 1.00 0.00 ? 36 LEU A HB2 1
897
+ ATOM 617 H HB3 . LEU A 1 36 ? -2.395 8.435 -1.010 1.00 0.00 ? 36 LEU A HB3 1
898
+ ATOM 618 H HG . LEU A 1 36 ? -4.646 6.491 -1.593 1.00 0.00 ? 36 LEU A HG 1
899
+ ATOM 619 H HD11 . LEU A 1 36 ? -4.530 5.946 0.771 1.00 0.00 ? 36 LEU A HD11 1
900
+ ATOM 620 H HD12 . LEU A 1 36 ? -3.292 7.168 1.039 1.00 0.00 ? 36 LEU A HD12 1
901
+ ATOM 621 H HD13 . LEU A 1 36 ? -2.921 5.731 0.091 1.00 0.00 ? 36 LEU A HD13 1
902
+ ATOM 622 H HD21 . LEU A 1 36 ? -4.504 9.268 -0.616 1.00 0.00 ? 36 LEU A HD21 1
903
+ ATOM 623 H HD22 . LEU A 1 36 ? -5.427 8.197 0.433 1.00 0.00 ? 36 LEU A HD22 1
904
+ ATOM 624 H HD23 . LEU A 1 36 ? -5.882 8.379 -1.258 1.00 0.00 ? 36 LEU A HD23 1
905
+ ATOM 625 N N . LYS A 1 37 ? -1.068 8.762 -3.678 1.00 0.00 ? 37 LYS A N 1
906
+ ATOM 626 C CA . LYS A 1 37 ? 0.086 9.577 -4.100 1.00 0.00 ? 37 LYS A CA 1
907
+ ATOM 627 C C . LYS A 1 37 ? -0.330 10.647 -5.102 1.00 0.00 ? 37 LYS A C 1
908
+ ATOM 628 O O . LYS A 1 37 ? 0.349 11.644 -5.261 1.00 0.00 ? 37 LYS A O 1
909
+ ATOM 629 C CB . LYS A 1 37 ? 1.109 8.652 -4.774 1.00 0.00 ? 37 LYS A CB 1
910
+ ATOM 630 C CG . LYS A 1 37 ? 1.839 7.844 -3.698 1.00 0.00 ? 37 LYS A CG 1
911
+ ATOM 631 C CD . LYS A 1 37 ? 2.915 6.975 -4.358 1.00 0.00 ? 37 LYS A CD 1
912
+ ATOM 632 C CE . LYS A 1 37 ? 3.927 7.876 -5.073 1.00 0.00 ? 37 LYS A CE 1
913
+ ATOM 633 N NZ . LYS A 1 37 ? 5.233 7.177 -5.226 1.00 0.00 ? 37 LYS A NZ 1
914
+ ATOM 634 H H . LYS A 1 37 ? -0.994 7.786 -3.638 1.00 0.00 ? 37 LYS A H 1
915
+ ATOM 635 H HA . LYS A 1 37 ? 0.518 10.055 -3.222 1.00 0.00 ? 37 LYS A HA 1
916
+ ATOM 636 H HB2 . LYS A 1 37 ? 0.601 7.980 -5.451 1.00 0.00 ? 37 LYS A HB2 1
917
+ ATOM 637 H HB3 . LYS A 1 37 ? 1.819 9.243 -5.328 1.00 0.00 ? 37 LYS A HB3 1
918
+ ATOM 638 H HG2 . LYS A 1 37 ? 2.297 8.516 -2.989 1.00 0.00 ? 37 LYS A HG2 1
919
+ ATOM 639 H HG3 . LYS A 1 37 ? 1.132 7.211 -3.180 1.00 0.00 ? 37 LYS A HG3 1
920
+ ATOM 640 H HD2 . LYS A 1 37 ? 3.422 6.391 -3.604 1.00 0.00 ? 37 LYS A HD2 1
921
+ ATOM 641 H HD3 . LYS A 1 37 ? 2.457 6.307 -5.072 1.00 0.00 ? 37 LYS A HD3 1
922
+ ATOM 642 H HE2 . LYS A 1 37 ? 3.552 8.137 -6.051 1.00 0.00 ? 37 LYS A HE2 1
923
+ ATOM 643 H HE3 . LYS A 1 37 ? 4.077 8.779 -4.500 1.00 0.00 ? 37 LYS A HE3 1
924
+ ATOM 644 H HZ1 . LYS A 1 37 ? 5.163 6.221 -4.822 1.00 0.00 ? 37 LYS A HZ1 1
925
+ ATOM 645 H HZ2 . LYS A 1 37 ? 5.973 7.710 -4.729 1.00 0.00 ? 37 LYS A HZ2 1
926
+ ATOM 646 H HZ3 . LYS A 1 37 ? 5.472 7.108 -6.236 1.00 0.00 ? 37 LYS A HZ3 1
927
+ ATOM 647 N N . ASN A 1 38 ? -1.443 10.424 -5.763 1.00 0.00 ? 38 ASN A N 1
928
+ ATOM 648 C CA . ASN A 1 38 ? -1.917 11.418 -6.760 1.00 0.00 ? 38 ASN A CA 1
929
+ ATOM 649 C C . ASN A 1 38 ? -3.023 12.308 -6.196 1.00 0.00 ? 38 ASN A C 1
930
+ ATOM 650 O O . ASN A 1 38 ? -2.996 13.512 -6.361 1.00 0.00 ? 38 ASN A O 1
931
+ ATOM 651 C CB . ASN A 1 38 ? -2.472 10.648 -7.963 1.00 0.00 ? 38 ASN A CB 1
932
+ ATOM 652 C CG . ASN A 1 38 ? -2.592 11.594 -9.160 1.00 0.00 ? 38 ASN A CG 1
933
+ ATOM 653 O OD1 . ASN A 1 38 ? -3.023 12.723 -9.034 1.00 0.00 ? 38 ASN A OD1 1
934
+ ATOM 654 N ND2 . ASN A 1 38 ? -2.223 11.173 -10.340 1.00 0.00 ? 38 ASN A ND2 1
935
+ ATOM 655 H H . ASN A 1 38 ? -1.957 9.603 -5.605 1.00 0.00 ? 38 ASN A H 1
936
+ ATOM 656 H HA . ASN A 1 38 ? -1.085 12.042 -7.058 1.00 0.00 ? 38 ASN A HA 1
937
+ ATOM 657 H HB2 . ASN A 1 38 ? -1.805 9.837 -8.215 1.00 0.00 ? 38 ASN A HB2 1
938
+ ATOM 658 H HB3 . ASN A 1 38 ? -3.446 10.249 -7.723 1.00 0.00 ? 38 ASN A HB3 1
939
+ ATOM 659 H HD21 . ASN A 1 38 ? -1.874 10.264 -10.448 1.00 0.00 ? 38 ASN A HD21 1
940
+ ATOM 660 H HD22 . ASN A 1 38 ? -2.296 11.765 -11.117 1.00 0.00 ? 38 ASN A HD22 1
941
+ ATOM 661 N N . ARG A 1 39 ? -3.975 11.702 -5.544 1.00 0.00 ? 39 ARG A N 1
942
+ ATOM 662 C CA . ARG A 1 39 ? -5.089 12.501 -4.965 1.00 0.00 ? 39 ARG A CA 1
943
+ ATOM 663 C C . ARG A 1 39 ? -4.561 13.625 -4.082 1.00 0.00 ? 39 ARG A C 1
944
+ ATOM 664 O O . ARG A 1 39 ? -3.371 13.749 -3.875 1.00 0.00 ? 39 ARG A O 1
945
+ ATOM 665 C CB . ARG A 1 39 ? -5.963 11.572 -4.108 1.00 0.00 ? 39 ARG A CB 1
946
+ ATOM 666 C CG . ARG A 1 39 ? -7.402 12.093 -4.111 1.00 0.00 ? 39 ARG A CG 1
947
+ ATOM 667 C CD . ARG A 1 39 ? -8.311 11.066 -3.440 1.00 0.00 ? 39 ARG A CD 1
948
+ ATOM 668 N NE . ARG A 1 39 ? -9.712 11.566 -3.482 1.00 0.00 ? 39 ARG A NE 1
949
+ ATOM 669 C CZ . ARG A 1 39 ? -10.634 10.840 -4.047 1.00 0.00 ? 39 ARG A CZ 1
950
+ ATOM 670 N NH1 . ARG A 1 39 ? -10.482 9.545 -4.079 1.00 0.00 ? 39 ARG A NH1 1
951
+ ATOM 671 N NH2 . ARG A 1 39 ? -11.675 11.432 -4.565 1.00 0.00 ? 39 ARG A NH2 1
952
+ ATOM 672 H H . ARG A 1 39 ? -3.955 10.730 -5.435 1.00 0.00 ? 39 ARG A H 1
953
+ ATOM 673 H HA . ARG A 1 39 ? -5.670 12.936 -5.778 1.00 0.00 ? 39 ARG A HA 1
954
+ ATOM 674 H HB2 . ARG A 1 39 ? -5.937 10.572 -4.517 1.00 0.00 ? 39 ARG A HB2 1
955
+ ATOM 675 H HB3 . ARG A 1 39 ? -5.586 11.550 -3.096 1.00 0.00 ? 39 ARG A HB3 1
956
+ ATOM 676 H HG2 . ARG A 1 39 ? -7.453 13.024 -3.572 1.00 0.00 ? 39 ARG A HG2 1
957
+ ATOM 677 H HG3 . ARG A 1 39 ? -7.727 12.255 -5.129 1.00 0.00 ? 39 ARG A HG3 1
958
+ ATOM 678 H HD2 . ARG A 1 39 ? -8.252 10.123 -3.964 1.00 0.00 ? 39 ARG A HD2 1
959
+ ATOM 679 H HD3 . ARG A 1 39 ? -8.012 10.924 -2.412 1.00 0.00 ? 39 ARG A HD3 1
960
+ ATOM 680 H HE . ARG A 1 39 ? -9.939 12.434 -3.088 1.00 0.00 ? 39 ARG A HE 1
961
+ ATOM 681 H HH11 . ARG A 1 39 ? -9.667 9.127 -3.677 1.00 0.00 ? 39 ARG A HH11 1
962
+ ATOM 682 H HH12 . ARG A 1 39 ? -11.180 8.970 -4.506 1.00 0.00 ? 39 ARG A HH12 1
963
+ ATOM 683 H HH21 . ARG A 1 39 ? -11.755 12.428 -4.525 1.00 0.00 ? 39 ARG A HH21 1
964
+ ATOM 684 H HH22 . ARG A 1 39 ? -12.393 10.890 -5.001 1.00 0.00 ? 39 ARG A HH22 1
965
+ ATOM 685 N N . GLY A 1 40 ? -5.467 14.431 -3.581 1.00 0.00 ? 40 GLY A N 1
966
+ ATOM 686 C CA . GLY A 1 40 ? -5.046 15.561 -2.703 1.00 0.00 ? 40 GLY A CA 1
967
+ ATOM 687 C C . GLY A 1 40 ? -3.956 15.104 -1.737 1.00 0.00 ? 40 GLY A C 1
968
+ ATOM 688 O O . GLY A 1 40 ? -3.080 15.866 -1.380 1.00 0.00 ? 40 GLY A O 1
969
+ ATOM 689 H H . GLY A 1 40 ? -6.412 14.295 -3.786 1.00 0.00 ? 40 GLY A H 1
970
+ ATOM 690 H HA2 . GLY A 1 40 ? -4.668 16.366 -3.314 1.00 0.00 ? 40 GLY A HA2 1
971
+ ATOM 691 H HA3 . GLY A 1 40 ? -5.899 15.911 -2.140 1.00 0.00 ? 40 GLY A HA3 1
972
+ ATOM 692 N N . TYR A 1 41 ? -4.034 13.865 -1.331 1.00 0.00 ? 41 TYR A N 1
973
+ ATOM 693 C CA . TYR A 1 41 ? -3.014 13.344 -0.393 1.00 0.00 ? 41 TYR A CA 1
974
+ ATOM 694 C C . TYR A 1 41 ? -1.713 13.063 -1.130 1.00 0.00 ? 41 TYR A C 1
975
+ ATOM 695 O O . TYR A 1 41 ? -0.948 12.199 -0.746 1.00 0.00 ? 41 TYR A O 1
976
+ ATOM 696 C CB . TYR A 1 41 ? -3.538 12.034 0.215 1.00 0.00 ? 41 TYR A CB 1
977
+ ATOM 697 C CG . TYR A 1 41 ? -3.012 11.897 1.645 1.00 0.00 ? 41 TYR A CG 1
978
+ ATOM 698 C CD1 . TYR A 1 41 ? -3.683 12.482 2.699 1.00 0.00 ? 41 TYR A CD1 1
979
+ ATOM 699 C CD2 . TYR A 1 41 ? -1.857 11.186 1.899 1.00 0.00 ? 41 TYR A CD2 1
980
+ ATOM 700 C CE1 . TYR A 1 41 ? -3.205 12.360 3.988 1.00 0.00 ? 41 TYR A CE1 1
981
+ ATOM 701 C CE2 . TYR A 1 41 ? -1.379 11.064 3.188 1.00 0.00 ? 41 TYR A CE2 1
982
+ ATOM 702 C CZ . TYR A 1 41 ? -2.049 11.650 4.242 1.00 0.00 ? 41 TYR A CZ 1
983
+ ATOM 703 O OH . TYR A 1 41 ? -1.571 11.529 5.531 1.00 0.00 ? 41 TYR A OH 1
984
+ ATOM 704 H H . TYR A 1 41 ? -4.761 13.287 -1.642 1.00 0.00 ? 41 TYR A H 1
985
+ ATOM 705 H HA . TYR A 1 41 ? -2.831 14.087 0.379 1.00 0.00 ? 41 TYR A HA 1
986
+ ATOM 706 H HB2 . TYR A 1 41 ? -4.618 12.044 0.232 1.00 0.00 ? 41 TYR A HB2 1
987
+ ATOM 707 H HB3 . TYR A 1 41 ? -3.198 11.195 -0.373 1.00 0.00 ? 41 TYR A HB3 1
988
+ ATOM 708 H HD1 . TYR A 1 41 ? -4.591 13.038 2.514 1.00 0.00 ? 41 TYR A HD1 1
989
+ ATOM 709 H HD2 . TYR A 1 41 ? -1.323 10.723 1.083 1.00 0.00 ? 41 TYR A HD2 1
990
+ ATOM 710 H HE1 . TYR A 1 41 ? -3.740 12.824 4.804 1.00 0.00 ? 41 TYR A HE1 1
991
+ ATOM 711 H HE2 . TYR A 1 41 ? -0.474 10.505 3.373 1.00 0.00 ? 41 TYR A HE2 1
992
+ ATOM 712 H HH . TYR A 1 41 ? -2.193 10.992 6.029 1.00 0.00 ? 41 TYR A HH 1
993
+ #
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@@ -0,0 +1,1241 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_1KAF_A
2
+ #
3
+ _pdbx_database_status.entry_id 1KAF_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
+ ;MEITSDMEEDKDLMLKLLDKNGFVLKKVEIYRSNYLAILEKRTNGIRNFEINNNGNMRIFGYKMMEHHIQKFTDIGMSCK
22
+ IAKNGNVYLDIKRSAENIEAVITVASEL
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;MEITSDMEEDKDLMLKLLDKNGFVLKKVEIYRSNYLAILEKRTNGIRNFEINNNGNMRIFGYKMMEHHIQKFTDIGMSCK
26
+ IAKNGNVYLDIKRSAENIEAVITVASEL
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 ILE n
39
+ 1 4 THR n
40
+ 1 5 SER n
41
+ 1 6 ASP n
42
+ 1 7 MET n
43
+ 1 8 GLU n
44
+ 1 9 GLU n
45
+ 1 10 ASP n
46
+ 1 11 LYS n
47
+ 1 12 ASP n
48
+ 1 13 LEU n
49
+ 1 14 MET n
50
+ 1 15 LEU n
51
+ 1 16 LYS n
52
+ 1 17 LEU n
53
+ 1 18 LEU n
54
+ 1 19 ASP n
55
+ 1 20 LYS n
56
+ 1 21 ASN n
57
+ 1 22 GLY n
58
+ 1 23 PHE n
59
+ 1 24 VAL n
60
+ 1 25 LEU n
61
+ 1 26 LYS n
62
+ 1 27 LYS n
63
+ 1 28 VAL n
64
+ 1 29 GLU n
65
+ 1 30 ILE n
66
+ 1 31 TYR n
67
+ 1 32 ARG n
68
+ 1 33 SER n
69
+ 1 34 ASN n
70
+ 1 35 TYR n
71
+ 1 36 LEU n
72
+ 1 37 ALA n
73
+ 1 38 ILE n
74
+ 1 39 LEU n
75
+ 1 40 GLU n
76
+ 1 41 LYS n
77
+ 1 42 ARG n
78
+ 1 43 THR n
79
+ 1 44 ASN n
80
+ 1 45 GLY n
81
+ 1 46 ILE n
82
+ 1 47 ARG n
83
+ 1 48 ASN n
84
+ 1 49 PHE n
85
+ 1 50 GLU n
86
+ 1 51 ILE n
87
+ 1 52 ASN n
88
+ 1 53 ASN n
89
+ 1 54 ASN n
90
+ 1 55 GLY n
91
+ 1 56 ASN n
92
+ 1 57 MET n
93
+ 1 58 ARG n
94
+ 1 59 ILE n
95
+ 1 60 PHE n
96
+ 1 61 GLY n
97
+ 1 62 TYR n
98
+ 1 63 LYS n
99
+ 1 64 MET n
100
+ 1 65 MET n
101
+ 1 66 GLU n
102
+ 1 67 HIS n
103
+ 1 68 HIS n
104
+ 1 69 ILE n
105
+ 1 70 GLN n
106
+ 1 71 LYS n
107
+ 1 72 PHE n
108
+ 1 73 THR n
109
+ 1 74 ASP n
110
+ 1 75 ILE n
111
+ 1 76 GLY n
112
+ 1 77 MET n
113
+ 1 78 SER n
114
+ 1 79 CYS n
115
+ 1 80 LYS n
116
+ 1 81 ILE n
117
+ 1 82 ALA n
118
+ 1 83 LYS n
119
+ 1 84 ASN n
120
+ 1 85 GLY n
121
+ 1 86 ASN n
122
+ 1 87 VAL n
123
+ 1 88 TYR n
124
+ 1 89 LEU n
125
+ 1 90 ASP n
126
+ 1 91 ILE n
127
+ 1 92 LYS n
128
+ 1 93 ARG n
129
+ 1 94 SER n
130
+ 1 95 ALA n
131
+ 1 96 GLU n
132
+ 1 97 ASN n
133
+ 1 98 ILE n
134
+ 1 99 GLU n
135
+ 1 100 ALA n
136
+ 1 101 VAL n
137
+ 1 102 ILE n
138
+ 1 103 THR n
139
+ 1 104 VAL n
140
+ 1 105 ALA n
141
+ 1 106 SER n
142
+ 1 107 GLU n
143
+ 1 108 LEU n
144
+ #
145
+ _entity.id 1
146
+ _entity.type polymer
147
+ _entity.src_method man
148
+ _entity.pdbx_description ?
149
+ _entity.formula_weight 12538.558
150
+ _entity.pdbx_number_of_molecules 1
151
+ _entity.pdbx_ec ?
152
+ _entity.pdbx_mutation ?
153
+ _entity.pdbx_fragment ?
154
+ _entity.details ?
155
+ #
156
+ loop_
157
+ _pdbx_poly_seq_scheme.asym_id
158
+ _pdbx_poly_seq_scheme.entity_id
159
+ _pdbx_poly_seq_scheme.seq_id
160
+ _pdbx_poly_seq_scheme.mon_id
161
+ _pdbx_poly_seq_scheme.ndb_seq_num
162
+ _pdbx_poly_seq_scheme.pdb_seq_num
163
+ _pdbx_poly_seq_scheme.auth_seq_num
164
+ _pdbx_poly_seq_scheme.pdb_mon_id
165
+ _pdbx_poly_seq_scheme.auth_mon_id
166
+ _pdbx_poly_seq_scheme.pdb_strand_id
167
+ _pdbx_poly_seq_scheme.pdb_ins_code
168
+ _pdbx_poly_seq_scheme.hetero
169
+ A 1 1 MET 1 1 1 MET MET A . n
170
+ A 1 2 GLU 2 2 2 GLU GLU A . n
171
+ A 1 3 ILE 3 3 3 ILE ILE A . n
172
+ A 1 4 THR 4 4 4 THR THR A . n
173
+ A 1 5 SER 5 5 5 SER SER A . n
174
+ A 1 6 ASP 6 6 6 ASP ASP A . n
175
+ A 1 7 MET 7 7 7 MET MET A . n
176
+ A 1 8 GLU 8 8 8 GLU GLU A . n
177
+ A 1 9 GLU 9 9 9 GLU GLU A . n
178
+ A 1 10 ASP 10 10 10 ASP ASP A . n
179
+ A 1 11 LYS 11 11 11 LYS LYS A . n
180
+ A 1 12 ASP 12 12 12 ASP ASP A . n
181
+ A 1 13 LEU 13 13 13 LEU LEU A . n
182
+ A 1 14 MET 14 14 14 MET MET A . n
183
+ A 1 15 LEU 15 15 15 LEU LEU A . n
184
+ A 1 16 LYS 16 16 16 LYS LYS A . n
185
+ A 1 17 LEU 17 17 17 LEU LEU A . n
186
+ A 1 18 LEU 18 18 18 LEU LEU A . n
187
+ A 1 19 ASP 19 19 19 ASP ASP A . n
188
+ A 1 20 LYS 20 20 20 LYS LYS A . n
189
+ A 1 21 ASN 21 21 21 ASN ASN A . n
190
+ A 1 22 GLY 22 22 22 GLY GLY A . n
191
+ A 1 23 PHE 23 23 23 PHE PHE A . n
192
+ A 1 24 VAL 24 24 24 VAL VAL A . n
193
+ A 1 25 LEU 25 25 25 LEU LEU A . n
194
+ A 1 26 LYS 26 26 26 LYS LYS A . n
195
+ A 1 27 LYS 27 27 27 LYS LYS A . n
196
+ A 1 28 VAL 28 28 28 VAL VAL A . n
197
+ A 1 29 GLU 29 29 29 GLU GLU A . n
198
+ A 1 30 ILE 30 30 30 ILE ILE A . n
199
+ A 1 31 TYR 31 31 31 TYR TYR A . n
200
+ A 1 32 ARG 32 32 32 ARG ARG A . n
201
+ A 1 33 SER 33 33 33 SER SER A . n
202
+ A 1 34 ASN 34 34 34 ASN ASN A . n
203
+ A 1 35 TYR 35 35 35 TYR TYR A . n
204
+ A 1 36 LEU 36 36 36 LEU LEU A . n
205
+ A 1 37 ALA 37 37 37 ALA ALA A . n
206
+ A 1 38 ILE 38 38 38 ILE ILE A . n
207
+ A 1 39 LEU 39 39 39 LEU LEU A . n
208
+ A 1 40 GLU 40 40 40 GLU GLU A . n
209
+ A 1 41 LYS 41 41 41 LYS LYS A . n
210
+ A 1 42 ARG 42 42 42 ARG ARG A . n
211
+ A 1 43 THR 43 43 43 THR THR A . n
212
+ A 1 44 ASN 44 44 44 ASN ASN A . n
213
+ A 1 45 GLY 45 45 45 GLY GLY A . n
214
+ A 1 46 ILE 46 46 46 ILE ILE A . n
215
+ A 1 47 ARG 47 47 47 ARG ARG A . n
216
+ A 1 48 ASN 48 48 48 ASN ASN A . n
217
+ A 1 49 PHE 49 49 49 PHE PHE A . n
218
+ A 1 50 GLU 50 50 50 GLU GLU A . n
219
+ A 1 51 ILE 51 51 51 ILE ILE A . n
220
+ A 1 52 ASN 52 52 52 ASN ASN A . n
221
+ A 1 53 ASN 53 53 53 ASN ASN A . n
222
+ A 1 54 ASN 54 54 54 ASN ASN A . n
223
+ A 1 55 GLY 55 55 55 GLY GLY A . n
224
+ A 1 56 ASN 56 56 56 ASN ASN A . n
225
+ A 1 57 MET 57 57 57 MET MET A . n
226
+ A 1 58 ARG 58 58 58 ARG ARG A . n
227
+ A 1 59 ILE 59 59 59 ILE ILE A . n
228
+ A 1 60 PHE 60 60 60 PHE PHE A . n
229
+ A 1 61 GLY 61 61 61 GLY GLY A . n
230
+ A 1 62 TYR 62 62 62 TYR TYR A . n
231
+ A 1 63 LYS 63 63 63 LYS LYS A . n
232
+ A 1 64 MET 64 64 64 MET MET A . n
233
+ A 1 65 MET 65 65 65 MET MET A . n
234
+ A 1 66 GLU 66 66 66 GLU GLU A . n
235
+ A 1 67 HIS 67 67 67 HIS HIS A . n
236
+ A 1 68 HIS 68 68 68 HIS HIS A . n
237
+ A 1 69 ILE 69 69 69 ILE ILE A . n
238
+ A 1 70 GLN 70 70 70 GLN GLN A . n
239
+ A 1 71 LYS 71 71 71 LYS LYS A . n
240
+ A 1 72 PHE 72 72 72 PHE PHE A . n
241
+ A 1 73 THR 73 73 73 THR THR A . n
242
+ A 1 74 ASP 74 74 74 ASP ASP A . n
243
+ A 1 75 ILE 75 75 75 ILE ILE A . n
244
+ A 1 76 GLY 76 76 76 GLY GLY A . n
245
+ A 1 77 MET 77 77 77 MET MET A . n
246
+ A 1 78 SER 78 78 78 SER SER A . n
247
+ A 1 79 CYS 79 79 79 CYS CYS A . n
248
+ A 1 80 LYS 80 80 80 LYS LYS A . n
249
+ A 1 81 ILE 81 81 81 ILE ILE A . n
250
+ A 1 82 ALA 82 82 82 ALA ALA A . n
251
+ A 1 83 LYS 83 83 83 LYS LYS A . n
252
+ A 1 84 ASN 84 84 84 ASN ASN A . n
253
+ A 1 85 GLY 85 85 85 GLY GLY A . n
254
+ A 1 86 ASN 86 86 86 ASN ASN A . n
255
+ A 1 87 VAL 87 87 87 VAL VAL A . n
256
+ A 1 88 TYR 88 88 88 TYR TYR A . n
257
+ A 1 89 LEU 89 89 89 LEU LEU A . n
258
+ A 1 90 ASP 90 90 90 ASP ASP A . n
259
+ A 1 91 ILE 91 91 91 ILE ILE A . n
260
+ A 1 92 LYS 92 92 92 LYS LYS A . n
261
+ A 1 93 ARG 93 93 93 ARG ARG A . n
262
+ A 1 94 SER 94 94 94 SER SER A . n
263
+ A 1 95 ALA 95 95 95 ALA ALA A . n
264
+ A 1 96 GLU 96 96 96 GLU GLU A . n
265
+ A 1 97 ASN 97 97 97 ASN ASN A . n
266
+ A 1 98 ILE 98 98 98 ILE ILE A . n
267
+ A 1 99 GLU 99 99 99 GLU GLU A . n
268
+ A 1 100 ALA 100 100 100 ALA ALA A . n
269
+ A 1 101 VAL 101 101 101 VAL VAL A . n
270
+ A 1 102 ILE 102 102 102 ILE ILE A . n
271
+ A 1 103 THR 103 103 103 THR THR A . n
272
+ A 1 104 VAL 104 104 104 VAL VAL A . n
273
+ A 1 105 ALA 105 105 105 ALA ALA A . n
274
+ A 1 106 SER 106 106 106 SER SER A . n
275
+ A 1 107 GLU 107 107 107 GLU GLU A . n
276
+ A 1 108 LEU 108 108 108 LEU LEU A . n
277
+ #
278
+ loop_
279
+ _chem_comp.id
280
+ _chem_comp.type
281
+ _chem_comp.mon_nstd_flag
282
+ _chem_comp.name
283
+ _chem_comp.pdbx_synonyms
284
+ _chem_comp.formula
285
+ _chem_comp.formula_weight
286
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
287
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
288
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
289
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
290
+ CYS "L-peptide linking" y CYSTEINE ? "C3 H7 N O2 S" 121.158
291
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
292
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
293
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
294
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
295
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
296
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
297
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
298
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
299
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
300
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
301
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
302
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
303
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
304
+ #
305
+ _struct_asym.id A
306
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
307
+ _struct_asym.pdbx_modified N
308
+ _struct_asym.entity_id 1
309
+ _struct_asym.details ?
310
+ #
311
+ _atom_sites.entry_id 1KAF_A
312
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
313
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
314
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
315
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
316
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
317
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
318
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
319
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
320
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
321
+ _atom_sites.fract_transf_vector[1] 0.00000
322
+ _atom_sites.fract_transf_vector[2] 0.00000
323
+ _atom_sites.fract_transf_vector[3] 0.00000
324
+ #
325
+ loop_
326
+ _atom_type.symbol
327
+ C
328
+ N
329
+ O
330
+ S
331
+ #
332
+ _entry.id 1KAF_A
333
+ #
334
+ loop_
335
+ _atom_site.group_PDB
336
+ _atom_site.id
337
+ _atom_site.type_symbol
338
+ _atom_site.label_atom_id
339
+ _atom_site.label_alt_id
340
+ _atom_site.label_comp_id
341
+ _atom_site.label_asym_id
342
+ _atom_site.label_entity_id
343
+ _atom_site.label_seq_id
344
+ _atom_site.pdbx_PDB_ins_code
345
+ _atom_site.Cartn_x
346
+ _atom_site.Cartn_y
347
+ _atom_site.Cartn_z
348
+ _atom_site.occupancy
349
+ _atom_site.B_iso_or_equiv
350
+ _atom_site.pdbx_formal_charge
351
+ _atom_site.auth_seq_id
352
+ _atom_site.auth_comp_id
353
+ _atom_site.auth_asym_id
354
+ _atom_site.auth_atom_id
355
+ _atom_site.pdbx_PDB_model_num
356
+ ATOM 1 N N . MET A 1 1 ? 23.245 -3.702 22.686 1.00 22.72 ? 1 MET A N 1
357
+ ATOM 2 C CA . MET A 1 1 ? 22.311 -2.554 22.859 1.00 22.37 ? 1 MET A CA 1
358
+ ATOM 3 C C . MET A 1 1 ? 22.319 -2.067 24.302 1.00 23.51 ? 1 MET A C 1
359
+ ATOM 4 O O . MET A 1 1 ? 22.589 -2.835 25.228 1.00 23.29 ? 1 MET A O 1
360
+ ATOM 5 C CB . MET A 1 1 ? 20.887 -2.972 22.479 1.00 20.01 ? 1 MET A CB 1
361
+ ATOM 6 C CG . MET A 1 1 ? 20.763 -3.556 21.083 1.00 16.55 ? 1 MET A CG 1
362
+ ATOM 7 S SD . MET A 1 1 ? 21.165 -2.356 19.811 1.00 5.01 ? 1 MET A SD 1
363
+ ATOM 8 C CE . MET A 1 1 ? 20.479 -3.098 18.378 1.00 10.04 ? 1 MET A CE 1
364
+ ATOM 9 N N . GLU A 1 2 ? 22.033 -0.784 24.490 1.00 23.77 ? 2 GLU A N 1
365
+ ATOM 10 C CA . GLU A 1 2 ? 21.983 -0.218 25.828 1.00 23.96 ? 2 GLU A CA 1
366
+ ATOM 11 C C . GLU A 1 2 ? 20.599 0.382 26.044 1.00 22.39 ? 2 GLU A C 1
367
+ ATOM 12 O O . GLU A 1 2 ? 20.390 1.587 25.894 1.00 22.44 ? 2 GLU A O 1
368
+ ATOM 13 C CB . GLU A 1 2 ? 23.072 0.843 26.008 1.00 26.25 ? 2 GLU A CB 1
369
+ ATOM 14 C CG . GLU A 1 2 ? 23.243 1.292 27.448 1.00 30.06 ? 2 GLU A CG 1
370
+ ATOM 15 C CD . GLU A 1 2 ? 24.593 1.935 27.712 1.00 30.91 ? 2 GLU A CD 1
371
+ ATOM 16 O OE1 . GLU A 1 2 ? 24.891 2.983 27.106 1.00 32.30 ? 2 GLU A OE1 1
372
+ ATOM 17 O OE2 . GLU A 1 2 ? 25.357 1.386 28.532 1.00 33.32 ? 2 GLU A OE2 1
373
+ ATOM 18 N N . ILE A 1 3 ? 19.651 -0.487 26.379 1.00 20.31 ? 3 ILE A N 1
374
+ ATOM 19 C CA . ILE A 1 3 ? 18.273 -0.081 26.621 1.00 18.31 ? 3 ILE A CA 1
375
+ ATOM 20 C C . ILE A 1 3 ? 18.050 0.071 28.124 1.00 16.33 ? 3 ILE A C 1
376
+ ATOM 21 O O . ILE A 1 3 ? 18.350 -0.836 28.899 1.00 18.80 ? 3 ILE A O 1
377
+ ATOM 22 C CB . ILE A 1 3 ? 17.290 -1.132 26.056 1.00 17.61 ? 3 ILE A CB 1
378
+ ATOM 23 C CG1 . ILE A 1 3 ? 17.506 -1.283 24.548 1.00 17.35 ? 3 ILE A CG1 1
379
+ ATOM 24 C CG2 . ILE A 1 3 ? 15.856 -0.726 26.357 1.00 18.89 ? 3 ILE A CG2 1
380
+ ATOM 25 C CD1 . ILE A 1 3 ? 17.263 -0.008 23.752 1.00 18.49 ? 3 ILE A CD1 1
381
+ ATOM 26 N N . THR A 1 4 ? 17.525 1.223 28.527 1.00 14.42 ? 4 THR A N 1
382
+ ATOM 27 C CA . THR A 1 4 ? 17.272 1.507 29.936 1.00 12.57 ? 4 THR A CA 1
383
+ ATOM 28 C C . THR A 1 4 ? 15.896 1.017 30.372 1.00 11.84 ? 4 THR A C 1
384
+ ATOM 29 O O . THR A 1 4 ? 15.039 0.729 29.540 1.00 10.34 ? 4 THR A O 1
385
+ ATOM 30 C CB . THR A 1 4 ? 17.340 3.015 30.219 1.00 12.18 ? 4 THR A CB 1
386
+ ATOM 31 O OG1 . THR A 1 4 ? 16.250 3.672 29.558 1.00 10.84 ? 4 THR A OG1 1
387
+ ATOM 32 C CG2 . THR A 1 4 ? 18.659 3.596 29.714 1.00 11.46 ? 4 THR A CG2 1
388
+ ATOM 33 N N . SER A 1 5 ? 15.687 0.926 31.682 1.00 10.99 ? 5 SER A N 1
389
+ ATOM 34 C CA . SER A 1 5 ? 14.403 0.485 32.198 1.00 10.70 ? 5 SER A CA 1
390
+ ATOM 35 C C . SER A 1 5 ? 13.324 1.500 31.830 1.00 9.24 ? 5 SER A C 1
391
+ ATOM 36 O O . SER A 1 5 ? 12.179 1.133 31.565 1.00 8.39 ? 5 SER A O 1
392
+ ATOM 37 C CB . SER A 1 5 ? 14.472 0.304 33.716 1.00 12.68 ? 5 SER A CB 1
393
+ ATOM 38 O OG . SER A 1 5 ? 15.279 -0.815 34.047 1.00 20.24 ? 5 SER A OG 1
394
+ ATOM 39 N N . ASP A 1 6 ? 13.693 2.777 31.809 1.00 8.35 ? 6 ASP A N 1
395
+ ATOM 40 C CA . ASP A 1 6 ? 12.743 3.822 31.439 1.00 7.92 ? 6 ASP A CA 1
396
+ ATOM 41 C C . ASP A 1 6 ? 12.281 3.631 29.997 1.00 6.60 ? 6 ASP A C 1
397
+ ATOM 42 O O . ASP A 1 6 ? 11.098 3.788 29.689 1.00 6.49 ? 6 ASP A O 1
398
+ ATOM 43 C CB . ASP A 1 6 ? 13.368 5.212 31.561 1.00 10.59 ? 6 ASP A CB 1
399
+ ATOM 44 C CG . ASP A 1 6 ? 13.429 5.707 32.988 1.00 11.34 ? 6 ASP A CG 1
400
+ ATOM 45 O OD1 . ASP A 1 6 ? 12.798 5.087 33.869 1.00 11.70 ? 6 ASP A OD1 1
401
+ ATOM 46 O OD2 . ASP A 1 6 ? 14.104 6.731 33.219 1.00 13.28 ? 6 ASP A OD2 1
402
+ ATOM 47 N N . MET A 1 7 ? 13.222 3.307 29.112 1.00 7.47 ? 7 MET A N 1
403
+ ATOM 48 C CA . MET A 1 7 ? 12.896 3.107 27.704 1.00 7.32 ? 7 MET A CA 1
404
+ ATOM 49 C C . MET A 1 7 ? 11.898 1.966 27.553 1.00 7.91 ? 7 MET A C 1
405
+ ATOM 50 O O . MET A 1 7 ? 10.942 2.072 26.790 1.00 6.78 ? 7 MET A O 1
406
+ ATOM 51 C CB . MET A 1 7 ? 14.168 2.809 26.893 1.00 5.69 ? 7 MET A CB 1
407
+ ATOM 52 C CG . MET A 1 7 ? 15.070 4.024 26.664 1.00 5.77 ? 7 MET A CG 1
408
+ ATOM 53 S SD . MET A 1 7 ? 16.584 3.678 25.707 1.00 0.87 ? 7 MET A SD 1
409
+ ATOM 54 C CE . MET A 1 7 ? 15.885 3.324 24.055 1.00 5.59 ? 7 MET A CE 1
410
+ ATOM 55 N N . GLU A 1 8 ? 12.118 0.881 28.290 1.00 7.51 ? 8 GLU A N 1
411
+ ATOM 56 C CA . GLU A 1 8 ? 11.216 -0.266 28.230 1.00 8.72 ? 8 GLU A CA 1
412
+ ATOM 57 C C . GLU A 1 8 ? 9.821 0.139 28.694 1.00 7.48 ? 8 GLU A C 1
413
+ ATOM 58 O O . GLU A 1 8 ? 8.825 -0.224 28.072 1.00 8.50 ? 8 GLU A O 1
414
+ ATOM 59 C CB . GLU A 1 8 ? 11.740 -1.413 29.100 1.00 10.76 ? 8 GLU A CB 1
415
+ ATOM 60 C CG . GLU A 1 8 ? 13.103 -1.938 28.676 1.00 16.04 ? 8 GLU A CG 1
416
+ ATOM 61 C CD . GLU A 1 8 ? 13.439 -3.278 29.310 1.00 19.24 ? 8 GLU A CD 1
417
+ ATOM 62 O OE1 . GLU A 1 8 ? 12.715 -4.260 29.046 1.00 22.18 ? 8 GLU A OE1 1
418
+ ATOM 63 O OE2 . GLU A 1 8 ? 14.426 -3.352 30.071 1.00 23.64 ? 8 GLU A OE2 1
419
+ ATOM 64 N N . GLU A 1 9 ? 9.755 0.895 29.787 1.00 7.39 ? 9 GLU A N 1
420
+ ATOM 65 C CA . GLU A 1 9 ? 8.476 1.358 30.318 1.00 6.99 ? 9 GLU A CA 1
421
+ ATOM 66 C C . GLU A 1 9 ? 7.780 2.287 29.324 1.00 6.21 ? 9 GLU A C 1
422
+ ATOM 67 O O . GLU A 1 9 ? 6.569 2.200 29.120 1.00 5.67 ? 9 GLU A O 1
423
+ ATOM 68 C CB . GLU A 1 9 ? 8.687 2.113 31.629 1.00 8.04 ? 9 GLU A CB 1
424
+ ATOM 69 C CG . GLU A 1 9 ? 9.223 1.271 32.764 1.00 10.00 ? 9 GLU A CG 1
425
+ ATOM 70 C CD . GLU A 1 9 ? 9.601 2.114 33.972 1.00 12.70 ? 9 GLU A CD 1
426
+ ATOM 71 O OE1 . GLU A 1 9 ? 10.008 1.535 34.997 1.00 14.89 ? 9 GLU A OE1 1
427
+ ATOM 72 O OE2 . GLU A 1 9 ? 9.497 3.356 33.894 1.00 15.35 ? 9 GLU A OE2 1
428
+ ATOM 73 N N . ASP A 1 10 ? 8.550 3.184 28.717 1.00 5.33 ? 10 ASP A N 1
429
+ ATOM 74 C CA . ASP A 1 10 ? 7.990 4.128 27.751 1.00 6.79 ? 10 ASP A CA 1
430
+ ATOM 75 C C . ASP A 1 10 ? 7.478 3.408 26.512 1.00 6.72 ? 10 ASP A C 1
431
+ ATOM 76 O O . ASP A 1 10 ? 6.422 3.751 25.973 1.00 5.80 ? 10 ASP A O 1
432
+ ATOM 77 C CB . ASP A 1 10 ? 9.037 5.163 27.348 1.00 6.53 ? 10 ASP A CB 1
433
+ ATOM 78 C CG . ASP A 1 10 ? 9.341 6.147 28.459 1.00 8.66 ? 10 ASP A CG 1
434
+ ATOM 79 O OD1 . ASP A 1 10 ? 8.577 6.198 29.451 1.00 10.04 ? 10 ASP A OD1 1
435
+ ATOM 80 O OD2 . ASP A 1 10 ? 10.343 6.881 28.335 1.00 10.34 ? 10 ASP A OD2 1
436
+ ATOM 81 N N . LYS A 1 11 ? 8.245 2.421 26.060 1.00 6.65 ? 11 LYS A N 1
437
+ ATOM 82 C CA . LYS A 1 11 ? 7.883 1.624 24.898 1.00 7.81 ? 11 LYS A CA 1
438
+ ATOM 83 C C . LYS A 1 11 ? 6.618 0.822 25.206 1.00 6.73 ? 11 LYS A C 1
439
+ ATOM 84 O O . LYS A 1 11 ? 5.737 0.691 24.357 1.00 6.91 ? 11 LYS A O 1
440
+ ATOM 85 C CB . LYS A 1 11 ? 9.053 0.702 24.526 1.00 9.74 ? 11 LYS A CB 1
441
+ ATOM 86 C CG . LYS A 1 11 ? 8.753 -0.378 23.495 1.00 12.40 ? 11 LYS A CG 1
442
+ ATOM 87 C CD . LYS A 1 11 ? 8.241 -1.649 24.157 1.00 16.49 ? 11 LYS A CD 1
443
+ ATOM 88 C CE . LYS A 1 11 ? 8.376 -2.844 23.227 1.00 20.64 ? 11 LYS A CE 1
444
+ ATOM 89 N NZ . LYS A 1 11 ? 7.920 -4.110 23.868 1.00 24.97 ? 11 LYS A NZ 1
445
+ ATOM 90 N N . ASP A 1 12 ? 6.514 0.297 26.424 1.00 8.22 ? 12 ASP A N 1
446
+ ATOM 91 C CA . ASP A 1 12 ? 5.326 -0.466 26.794 1.00 7.81 ? 12 ASP A CA 1
447
+ ATOM 92 C C . ASP A 1 12 ? 4.073 0.402 26.717 1.00 8.28 ? 12 ASP A C 1
448
+ ATOM 93 O O . ASP A 1 12 ? 3.026 -0.046 26.240 1.00 6.62 ? 12 ASP A O 1
449
+ ATOM 94 C CB . ASP A 1 12 ? 5.462 -1.044 28.204 1.00 9.31 ? 12 ASP A CB 1
450
+ ATOM 95 C CG . ASP A 1 12 ? 6.378 -2.251 28.254 1.00 11.85 ? 12 ASP A CG 1
451
+ ATOM 96 O OD1 . ASP A 1 12 ? 6.609 -2.865 27.196 1.00 13.48 ? 12 ASP A OD1 1
452
+ ATOM 97 O OD2 . ASP A 1 12 ? 6.854 -2.594 29.356 1.00 13.47 ? 12 ASP A OD2 1
453
+ ATOM 98 N N . LEU A 1 13 ? 4.184 1.642 27.189 1.00 7.80 ? 13 LEU A N 1
454
+ ATOM 99 C CA . LEU A 1 13 ? 3.056 2.567 27.166 1.00 8.84 ? 13 LEU A CA 1
455
+ ATOM 100 C C . LEU A 1 13 ? 2.733 2.909 25.720 1.00 7.83 ? 13 LEU A C 1
456
+ ATOM 101 O O . LEU A 1 13 ? 1.571 2.916 25.323 1.00 6.66 ? 13 LEU A O 1
457
+ ATOM 102 C CB . LEU A 1 13 ? 3.385 3.845 27.945 1.00 10.81 ? 13 LEU A CB 1
458
+ ATOM 103 C CG . LEU A 1 13 ? 2.336 4.964 27.894 1.00 14.57 ? 13 LEU A CG 1
459
+ ATOM 104 C CD1 . LEU A 1 13 ? 1.019 4.483 28.493 1.00 12.19 ? 13 LEU A CD1 1
460
+ ATOM 105 C CD2 . LEU A 1 13 ? 2.863 6.181 28.649 1.00 15.11 ? 13 LEU A CD2 1
461
+ ATOM 106 N N . MET A 1 14 ? 3.772 3.185 24.934 1.00 7.59 ? 14 MET A N 1
462
+ ATOM 107 C CA . MET A 1 14 ? 3.597 3.513 23.523 1.00 8.36 ? 14 MET A CA 1
463
+ ATOM 108 C C . MET A 1 14 ? 2.817 2.411 22.810 1.00 7.76 ? 14 MET A C 1
464
+ ATOM 109 O O . MET A 1 14 ? 1.812 2.677 22.147 1.00 9.64 ? 14 MET A O 1
465
+ ATOM 110 C CB . MET A 1 14 ? 4.961 3.707 22.844 1.00 7.82 ? 14 MET A CB 1
466
+ ATOM 111 C CG . MET A 1 14 ? 4.922 3.604 21.311 1.00 10.82 ? 14 MET A CG 1
467
+ ATOM 112 S SD . MET A 1 14 ? 6.470 4.126 20.509 1.00 9.87 ? 14 MET A SD 1
468
+ ATOM 113 C CE . MET A 1 14 ? 6.342 5.684 20.765 1.00 0.87 ? 14 MET A CE 1
469
+ ATOM 114 N N . LEU A 1 15 ? 3.284 1.174 22.947 1.00 8.87 ? 15 LEU A N 1
470
+ ATOM 115 C CA . LEU A 1 15 ? 2.633 0.034 22.313 1.00 9.25 ? 15 LEU A CA 1
471
+ ATOM 116 C C . LEU A 1 15 ? 1.191 -0.141 22.773 1.00 8.91 ? 15 LEU A C 1
472
+ ATOM 117 O O . LEU A 1 15 ? 0.311 -0.451 21.968 1.00 10.25 ? 15 LEU A O 1
473
+ ATOM 118 C CB . LEU A 1 15 ? 3.426 -1.245 22.592 1.00 9.86 ? 15 LEU A CB 1
474
+ ATOM 119 C CG . LEU A 1 15 ? 4.541 -1.562 21.592 1.00 13.71 ? 15 LEU A CG 1
475
+ ATOM 120 C CD1 . LEU A 1 15 ? 5.474 -0.388 21.446 1.00 15.43 ? 15 LEU A CD1 1
476
+ ATOM 121 C CD2 . LEU A 1 15 ? 5.289 -2.799 22.055 1.00 15.52 ? 15 LEU A CD2 1
477
+ ATOM 122 N N . LYS A 1 16 ? 0.956 0.061 24.066 1.00 7.72 ? 16 LYS A N 1
478
+ ATOM 123 C CA . LYS A 1 16 ? -0.379 -0.066 24.636 1.00 10.18 ? 16 LYS A CA 1
479
+ ATOM 124 C C . LYS A 1 16 ? -1.339 0.915 23.972 1.00 8.22 ? 16 LYS A C 1
480
+ ATOM 125 O O . LYS A 1 16 ? -2.456 0.549 23.593 1.00 8.52 ? 16 LYS A O 1
481
+ ATOM 126 C CB . LYS A 1 16 ? -0.334 0.206 26.144 1.00 12.68 ? 16 LYS A CB 1
482
+ ATOM 127 C CG . LYS A 1 16 ? -1.700 0.222 26.822 1.00 17.57 ? 16 LYS A CG 1
483
+ ATOM 128 C CD . LYS A 1 16 ? -1.599 0.700 28.268 1.00 21.62 ? 16 LYS A CD 1
484
+ ATOM 129 C CE . LYS A 1 16 ? -2.981 0.800 28.907 1.00 22.63 ? 16 LYS A CE 1
485
+ ATOM 130 N NZ . LYS A 1 16 ? -2.930 1.249 30.326 1.00 23.14 ? 16 LYS A NZ 1
486
+ ATOM 131 N N . LEU A 1 17 ? -0.894 2.161 23.838 1.00 8.16 ? 17 LEU A N 1
487
+ ATOM 132 C CA . LEU A 1 17 ? -1.708 3.207 23.239 1.00 5.23 ? 17 LEU A CA 1
488
+ ATOM 133 C C . LEU A 1 17 ? -1.842 3.064 21.726 1.00 6.22 ? 17 LEU A C 1
489
+ ATOM 134 O O . LEU A 1 17 ? -2.866 3.438 21.161 1.00 6.77 ? 17 LEU A O 1
490
+ ATOM 135 C CB . LEU A 1 17 ? -1.141 4.586 23.599 1.00 6.90 ? 17 LEU A CB 1
491
+ ATOM 136 C CG . LEU A 1 17 ? -1.143 4.908 25.098 1.00 7.13 ? 17 LEU A CG 1
492
+ ATOM 137 C CD1 . LEU A 1 17 ? -0.430 6.227 25.318 1.00 6.03 ? 17 LEU A CD1 1
493
+ ATOM 138 C CD2 . LEU A 1 17 ? -2.573 4.974 25.630 1.00 8.66 ? 17 LEU A CD2 1
494
+ ATOM 139 N N . LEU A 1 18 ? -0.816 2.526 21.070 1.00 4.63 ? 18 LEU A N 1
495
+ ATOM 140 C CA . LEU A 1 18 ? -0.890 2.331 19.629 1.00 6.08 ? 18 LEU A CA 1
496
+ ATOM 141 C C . LEU A 1 18 ? -1.927 1.251 19.343 1.00 6.03 ? 18 LEU A C 1
497
+ ATOM 142 O O . LEU A 1 18 ? -2.714 1.375 18.403 1.00 7.28 ? 18 LEU A O 1
498
+ ATOM 143 C CB . LEU A 1 18 ? 0.483 1.940 19.058 1.00 4.92 ? 18 LEU A CB 1
499
+ ATOM 144 C CG . LEU A 1 18 ? 1.493 3.097 19.031 1.00 5.28 ? 18 LEU A CG 1
500
+ ATOM 145 C CD1 . LEU A 1 18 ? 2.874 2.595 18.620 1.00 7.21 ? 18 LEU A CD1 1
501
+ ATOM 146 C CD2 . LEU A 1 18 ? 1.014 4.171 18.062 1.00 5.56 ? 18 LEU A CD2 1
502
+ ATOM 147 N N . ASP A 1 19 ? -1.934 0.203 20.165 1.00 6.61 ? 19 ASP A N 1
503
+ ATOM 148 C CA . ASP A 1 19 ? -2.892 -0.894 20.013 1.00 6.12 ? 19 ASP A CA 1
504
+ ATOM 149 C C . ASP A 1 19 ? -4.300 -0.378 20.296 1.00 7.13 ? 19 ASP A C 1
505
+ ATOM 150 O O . ASP A 1 19 ? -5.243 -0.655 19.554 1.00 8.22 ? 19 ASP A O 1
506
+ ATOM 151 C CB . ASP A 1 19 ? -2.557 -2.033 20.984 1.00 9.80 ? 19 ASP A CB 1
507
+ ATOM 152 C CG . ASP A 1 19 ? -1.370 -2.866 20.527 1.00 11.06 ? 19 ASP A CG 1
508
+ ATOM 153 O OD1 . ASP A 1 19 ? -0.853 -3.664 21.339 1.00 13.44 ? 19 ASP A OD1 1
509
+ ATOM 154 O OD2 . ASP A 1 19 ? -0.962 -2.735 19.354 1.00 11.58 ? 19 ASP A OD2 1
510
+ ATOM 155 N N . LYS A 1 20 ? -4.431 0.375 21.380 1.00 5.04 ? 20 LYS A N 1
511
+ ATOM 156 C CA . LYS A 1 20 ? -5.719 0.943 21.762 1.00 5.72 ? 20 LYS A CA 1
512
+ ATOM 157 C C . LYS A 1 20 ? -6.365 1.697 20.616 1.00 5.97 ? 20 LYS A C 1
513
+ ATOM 158 O O . LYS A 1 20 ? -7.566 1.564 20.369 1.00 8.49 ? 20 LYS A O 1
514
+ ATOM 159 C CB . LYS A 1 20 ? -5.542 1.909 22.934 1.00 6.26 ? 20 LYS A CB 1
515
+ ATOM 160 C CG . LYS A 1 20 ? -6.761 2.798 23.205 1.00 8.24 ? 20 LYS A CG 1
516
+ ATOM 161 C CD . LYS A 1 20 ? -6.437 3.895 24.203 1.00 10.26 ? 20 LYS A CD 1
517
+ ATOM 162 C CE . LYS A 1 20 ? -7.623 4.820 24.427 1.00 12.22 ? 20 LYS A CE 1
518
+ ATOM 163 N NZ . LYS A 1 20 ? -7.293 5.924 25.381 1.00 10.98 ? 20 LYS A NZ 1
519
+ ATOM 164 N N . ASN A 1 21 ? -5.557 2.485 19.913 1.00 4.92 ? 21 ASN A N 1
520
+ ATOM 165 C CA . ASN A 1 21 ? -6.051 3.309 18.821 1.00 5.94 ? 21 ASN A CA 1
521
+ ATOM 166 C C . ASN A 1 21 ? -6.025 2.709 17.419 1.00 5.09 ? 21 ASN A C 1
522
+ ATOM 167 O O . ASN A 1 21 ? -6.168 3.418 16.426 1.00 8.10 ? 21 ASN A O 1
523
+ ATOM 168 C CB . ASN A 1 21 ? -5.322 4.648 18.855 1.00 5.25 ? 21 ASN A CB 1
524
+ ATOM 169 C CG . ASN A 1 21 ? -5.718 5.483 20.057 1.00 6.08 ? 21 ASN A CG 1
525
+ ATOM 170 O OD1 . ASN A 1 21 ? -6.817 6.040 20.100 1.00 8.56 ? 21 ASN A OD1 1
526
+ ATOM 171 N ND2 . ASN A 1 21 ? -4.836 5.557 21.052 1.00 5.87 ? 21 ASN A ND2 1
527
+ ATOM 172 N N . GLY A 1 22 ? -5.837 1.399 17.338 1.00 4.66 ? 22 GLY A N 1
528
+ ATOM 173 C CA . GLY A 1 22 ? -5.859 0.742 16.046 1.00 6.18 ? 22 GLY A CA 1
529
+ ATOM 174 C C . GLY A 1 22 ? -4.681 0.907 15.107 1.00 6.37 ? 22 GLY A C 1
530
+ ATOM 175 O O . GLY A 1 22 ? -4.835 0.705 13.906 1.00 7.19 ? 22 GLY A O 1
531
+ ATOM 176 N N . PHE A 1 23 ? -3.515 1.281 15.622 1.00 5.19 ? 23 PHE A N 1
532
+ ATOM 177 C CA . PHE A 1 23 ? -2.344 1.405 14.757 1.00 6.51 ? 23 PHE A CA 1
533
+ ATOM 178 C C . PHE A 1 23 ? -1.743 0.010 14.599 1.00 8.82 ? 23 PHE A C 1
534
+ ATOM 179 O O . PHE A 1 23 ? -1.269 -0.576 15.572 1.00 10.95 ? 23 PHE A O 1
535
+ ATOM 180 C CB . PHE A 1 23 ? -1.298 2.343 15.365 1.00 6.13 ? 23 PHE A CB 1
536
+ ATOM 181 C CG . PHE A 1 23 ? -1.658 3.800 15.277 1.00 6.90 ? 23 PHE A CG 1
537
+ ATOM 182 C CD1 . PHE A 1 23 ? -2.396 4.412 16.283 1.00 8.07 ? 23 PHE A CD1 1
538
+ ATOM 183 C CD2 . PHE A 1 23 ? -1.252 4.558 14.188 1.00 7.01 ? 23 PHE A CD2 1
539
+ ATOM 184 C CE1 . PHE A 1 23 ? -2.725 5.768 16.206 1.00 5.18 ? 23 PHE A CE1 1
540
+ ATOM 185 C CE2 . PHE A 1 23 ? -1.573 5.910 14.096 1.00 8.67 ? 23 PHE A CE2 1
541
+ ATOM 186 C CZ . PHE A 1 23 ? -2.312 6.519 15.109 1.00 7.64 ? 23 PHE A CZ 1
542
+ ATOM 187 N N . VAL A 1 24 ? -1.763 -0.523 13.380 1.00 7.45 ? 24 VAL A N 1
543
+ ATOM 188 C CA . VAL A 1 24 ? -1.212 -1.856 13.135 1.00 7.45 ? 24 VAL A CA 1
544
+ ATOM 189 C C . VAL A 1 24 ? 0.296 -1.769 12.929 1.00 6.23 ? 24 VAL A C 1
545
+ ATOM 190 O O . VAL A 1 24 ? 0.778 -0.986 12.108 1.00 7.17 ? 24 VAL A O 1
546
+ ATOM 191 C CB . VAL A 1 24 ? -1.864 -2.512 11.898 1.00 8.94 ? 24 VAL A CB 1
547
+ ATOM 192 C CG1 . VAL A 1 24 ? -1.293 -3.904 11.684 1.00 9.71 ? 24 VAL A CG1 1
548
+ ATOM 193 C CG2 . VAL A 1 24 ? -3.371 -2.589 12.092 1.00 9.36 ? 24 VAL A CG2 1
549
+ ATOM 194 N N . LEU A 1 25 ? 1.037 -2.571 13.686 1.00 7.57 ? 25 LEU A N 1
550
+ ATOM 195 C CA . LEU A 1 25 ? 2.493 -2.565 13.609 1.00 7.11 ? 25 LEU A CA 1
551
+ ATOM 196 C C . LEU A 1 25 ? 3.061 -3.775 12.879 1.00 8.87 ? 25 LEU A C 1
552
+ ATOM 197 O O . LEU A 1 25 ? 2.649 -4.909 13.122 1.00 9.55 ? 25 LEU A O 1
553
+ ATOM 198 C CB . LEU A 1 25 ? 3.087 -2.517 15.019 1.00 7.99 ? 25 LEU A CB 1
554
+ ATOM 199 C CG . LEU A 1 25 ? 2.626 -1.372 15.927 1.00 9.69 ? 25 LEU A CG 1
555
+ ATOM 200 C CD1 . LEU A 1 25 ? 3.305 -1.495 17.281 1.00 11.71 ? 25 LEU A CD1 1
556
+ ATOM 201 C CD2 . LEU A 1 25 ? 2.959 -0.033 15.280 1.00 11.18 ? 25 LEU A CD2 1
557
+ ATOM 202 N N . LYS A 1 26 ? 4.009 -3.528 11.979 1.00 6.73 ? 26 LYS A N 1
558
+ ATOM 203 C CA . LYS A 1 26 ? 4.646 -4.615 11.248 1.00 7.26 ? 26 LYS A CA 1
559
+ ATOM 204 C C . LYS A 1 26 ? 5.536 -5.322 12.265 1.00 8.45 ? 26 LYS A C 1
560
+ ATOM 205 O O . LYS A 1 26 ? 5.613 -6.556 12.307 1.00 8.22 ? 26 LYS A O 1
561
+ ATOM 206 C CB . LYS A 1 26 ? 5.480 -4.048 10.094 1.00 9.42 ? 26 LYS A CB 1
562
+ ATOM 207 C CG . LYS A 1 26 ? 6.180 -5.085 9.221 1.00 13.93 ? 26 LYS A CG 1
563
+ ATOM 208 C CD . LYS A 1 26 ? 6.924 -4.397 8.077 1.00 17.60 ? 26 LYS A CD 1
564
+ ATOM 209 C CE . LYS A 1 26 ? 7.599 -5.400 7.150 1.00 21.38 ? 26 LYS A CE 1
565
+ ATOM 210 N NZ . LYS A 1 26 ? 8.672 -6.180 7.835 1.00 24.36 ? 26 LYS A NZ 1
566
+ ATOM 211 N N . LYS A 1 27 ? 6.185 -4.522 13.107 1.00 7.40 ? 27 LYS A N 1
567
+ ATOM 212 C CA . LYS A 1 27 ? 7.079 -5.027 14.142 1.00 8.25 ? 27 LYS A CA 1
568
+ ATOM 213 C C . LYS A 1 27 ? 7.643 -3.853 14.928 1.00 7.20 ? 27 LYS A C 1
569
+ ATOM 214 O O . LYS A 1 27 ? 7.405 -2.696 14.594 1.00 6.57 ? 27 LYS A O 1
570
+ ATOM 215 C CB . LYS A 1 27 ? 8.250 -5.782 13.509 1.00 9.47 ? 27 LYS A CB 1
571
+ ATOM 216 C CG . LYS A 1 27 ? 9.115 -4.888 12.628 1.00 9.82 ? 27 LYS A CG 1
572
+ ATOM 217 C CD . LYS A 1 27 ? 10.288 -5.621 11.996 1.00 14.74 ? 27 LYS A CD 1
573
+ ATOM 218 C CE . LYS A 1 27 ? 10.988 -4.717 10.991 1.00 16.88 ? 27 LYS A CE 1
574
+ ATOM 219 N NZ . LYS A 1 27 ? 12.086 -5.401 10.252 1.00 19.79 ? 27 LYS A NZ 1
575
+ ATOM 220 N N . VAL A 1 28 ? 8.371 -4.169 15.990 1.00 6.21 ? 28 VAL A N 1
576
+ ATOM 221 C CA . VAL A 1 28 ? 9.045 -3.159 16.790 1.00 6.13 ? 28 VAL A CA 1
577
+ ATOM 222 C C . VAL A 1 28 ? 10.499 -3.585 16.693 1.00 7.79 ? 28 VAL A C 1
578
+ ATOM 223 O O . VAL A 1 28 ? 10.810 -4.772 16.791 1.00 9.61 ? 28 VAL A O 1
579
+ ATOM 224 C CB . VAL A 1 28 ? 8.626 -3.185 18.270 1.00 5.41 ? 28 VAL A CB 1
580
+ ATOM 225 C CG1 . VAL A 1 28 ? 9.441 -2.167 19.050 1.00 9.91 ? 28 VAL A CG1 1
581
+ ATOM 226 C CG2 . VAL A 1 28 ? 7.147 -2.863 18.405 1.00 7.98 ? 28 VAL A CG2 1
582
+ ATOM 227 N N . GLU A 1 29 ? 11.391 -2.632 16.469 1.00 6.81 ? 29 GLU A N 1
583
+ ATOM 228 C CA . GLU A 1 29 ? 12.798 -2.968 16.370 1.00 7.47 ? 29 GLU A CA 1
584
+ ATOM 229 C C . GLU A 1 29 ? 13.586 -2.279 17.461 1.00 7.82 ? 29 GLU A C 1
585
+ ATOM 230 O O . GLU A 1 29 ? 13.168 -1.246 17.987 1.00 7.09 ? 29 GLU A O 1
586
+ ATOM 231 C CB . GLU A 1 29 ? 13.398 -2.498 15.039 1.00 10.37 ? 29 GLU A CB 1
587
+ ATOM 232 C CG . GLU A 1 29 ? 12.739 -2.993 13.773 1.00 17.02 ? 29 GLU A CG 1
588
+ ATOM 233 C CD . GLU A 1 29 ? 13.578 -2.677 12.545 1.00 19.51 ? 29 GLU A CD 1
589
+ ATOM 234 O OE1 . GLU A 1 29 ? 14.162 -1.574 12.488 1.00 22.53 ? 29 GLU A OE1 1
590
+ ATOM 235 O OE2 . GLU A 1 29 ? 13.652 -3.524 11.635 1.00 21.49 ? 29 GLU A OE2 1
591
+ ATOM 236 N N . ILE A 1 30 ? 14.714 -2.881 17.815 1.00 5.12 ? 30 ILE A N 1
592
+ ATOM 237 C CA . ILE A 1 30 ? 15.648 -2.265 18.746 1.00 5.54 ? 30 ILE A CA 1
593
+ ATOM 238 C C . ILE A 1 30 ? 16.808 -2.092 17.775 1.00 5.72 ? 30 ILE A C 1
594
+ ATOM 239 O O . ILE A 1 30 ? 17.402 -3.072 17.321 1.00 6.89 ? 30 ILE A O 1
595
+ ATOM 240 C CB . ILE A 1 30 ? 16.075 -3.186 19.910 1.00 5.94 ? 30 ILE A CB 1
596
+ ATOM 241 C CG1 . ILE A 1 30 ? 14.872 -3.499 20.803 1.00 7.83 ? 30 ILE A CG1 1
597
+ ATOM 242 C CG2 . ILE A 1 30 ? 17.154 -2.489 20.739 1.00 8.20 ? 30 ILE A CG2 1
598
+ ATOM 243 C CD1 . ILE A 1 30 ? 15.199 -4.399 21.994 1.00 8.79 ? 30 ILE A CD1 1
599
+ ATOM 244 N N . TYR A 1 31 ? 17.092 -0.844 17.423 1.00 4.41 ? 31 TYR A N 1
600
+ ATOM 245 C CA . TYR A 1 31 ? 18.136 -0.528 16.457 1.00 6.77 ? 31 TYR A CA 1
601
+ ATOM 246 C C . TYR A 1 31 ? 18.960 0.632 16.987 1.00 4.84 ? 31 TYR A C 1
602
+ ATOM 247 O O . TYR A 1 31 ? 18.410 1.684 17.314 1.00 4.41 ? 31 TYR A O 1
603
+ ATOM 248 C CB . TYR A 1 31 ? 17.482 -0.137 15.129 1.00 9.57 ? 31 TYR A CB 1
604
+ ATOM 249 C CG . TYR A 1 31 ? 18.446 0.192 14.011 1.00 14.66 ? 31 TYR A CG 1
605
+ ATOM 250 C CD1 . TYR A 1 31 ? 19.330 -0.767 13.522 1.00 16.33 ? 31 TYR A CD1 1
606
+ ATOM 251 C CD2 . TYR A 1 31 ? 18.450 1.455 13.420 1.00 17.16 ? 31 TYR A CD2 1
607
+ ATOM 252 C CE1 . TYR A 1 31 ? 20.196 -0.476 12.465 1.00 18.72 ? 31 TYR A CE1 1
608
+ ATOM 253 C CE2 . TYR A 1 31 ? 19.310 1.756 12.364 1.00 17.82 ? 31 TYR A CE2 1
609
+ ATOM 254 C CZ . TYR A 1 31 ? 20.177 0.786 11.893 1.00 18.17 ? 31 TYR A CZ 1
610
+ ATOM 255 O OH . TYR A 1 31 ? 21.022 1.073 10.846 1.00 21.52 ? 31 TYR A OH 1
611
+ ATOM 256 N N . ARG A 1 32 ? 20.274 0.436 17.065 1.00 4.88 ? 32 ARG A N 1
612
+ ATOM 257 C CA . ARG A 1 32 ? 21.177 1.460 17.572 1.00 5.59 ? 32 ARG A CA 1
613
+ ATOM 258 C C . ARG A 1 32 ? 20.690 1.928 18.940 1.00 5.28 ? 32 ARG A C 1
614
+ ATOM 259 O O . ARG A 1 32 ? 20.744 3.116 19.277 1.00 6.06 ? 32 ARG A O 1
615
+ ATOM 260 C CB . ARG A 1 32 ? 21.251 2.634 16.595 1.00 6.95 ? 32 ARG A CB 1
616
+ ATOM 261 C CG . ARG A 1 32 ? 21.760 2.246 15.221 1.00 11.08 ? 32 ARG A CG 1
617
+ ATOM 262 C CD . ARG A 1 32 ? 21.945 3.467 14.335 1.00 15.25 ? 32 ARG A CD 1
618
+ ATOM 263 N NE . ARG A 1 32 ? 22.320 3.093 12.976 1.00 22.23 ? 32 ARG A NE 1
619
+ ATOM 264 C CZ . ARG A 1 32 ? 22.674 3.960 12.032 1.00 24.36 ? 32 ARG A CZ 1
620
+ ATOM 265 N NH1 . ARG A 1 32 ? 22.707 5.259 12.298 1.00 26.66 ? 32 ARG A NH1 1
621
+ ATOM 266 N NH2 . ARG A 1 32 ? 22.995 3.527 10.821 1.00 27.20 ? 32 ARG A NH2 1
622
+ ATOM 267 N N . SER A 1 33 ? 20.203 0.967 19.717 1.00 4.96 ? 33 SER A N 1
623
+ ATOM 268 C CA . SER A 1 33 ? 19.709 1.214 21.061 1.00 4.43 ? 33 SER A CA 1
624
+ ATOM 269 C C . SER A 1 33 ? 18.535 2.183 21.136 1.00 4.43 ? 33 SER A C 1
625
+ ATOM 270 O O . SER A 1 33 ? 18.421 2.966 22.079 1.00 5.27 ? 33 SER A O 1
626
+ ATOM 271 C CB . SER A 1 33 ? 20.856 1.687 21.948 1.00 6.99 ? 33 SER A CB 1
627
+ ATOM 272 O OG . SER A 1 33 ? 21.820 0.657 22.055 1.00 6.23 ? 33 SER A OG 1
628
+ ATOM 273 N N . ASN A 1 34 ? 17.674 2.110 20.126 1.00 5.04 ? 34 ASN A N 1
629
+ ATOM 274 C CA . ASN A 1 34 ? 16.461 2.921 20.037 1.00 4.40 ? 34 ASN A CA 1
630
+ ATOM 275 C C . ASN A 1 34 ? 15.334 1.941 19.731 1.00 5.27 ? 34 ASN A C 1
631
+ ATOM 276 O O . ASN A 1 34 ? 15.559 0.949 19.039 1.00 4.64 ? 34 ASN A O 1
632
+ ATOM 277 C CB . ASN A 1 34 ? 16.525 3.899 18.865 1.00 5.81 ? 34 ASN A CB 1
633
+ ATOM 278 C CG . ASN A 1 34 ? 17.595 4.953 19.024 1.00 7.46 ? 34 ASN A CG 1
634
+ ATOM 279 O OD1 . ASN A 1 34 ? 18.269 5.305 18.055 1.00 11.94 ? 34 ASN A OD1 1
635
+ ATOM 280 N ND2 . ASN A 1 34 ? 17.742 5.480 20.229 1.00 4.73 ? 34 ASN A ND2 1
636
+ ATOM 281 N N . TYR A 1 35 ? 14.133 2.222 20.231 1.00 4.18 ? 35 TYR A N 1
637
+ ATOM 282 C CA . TYR A 1 35 ? 12.965 1.376 19.958 1.00 5.92 ? 35 TYR A CA 1
638
+ ATOM 283 C C . TYR A 1 35 ? 12.215 2.000 18.790 1.00 5.85 ? 35 TYR A C 1
639
+ ATOM 284 O O . TYR A 1 35 ? 11.909 3.195 18.821 1.00 5.59 ? 35 TYR A O 1
640
+ ATOM 285 C CB . TYR A 1 35 ? 12.004 1.343 21.151 1.00 5.23 ? 35 TYR A CB 1
641
+ ATOM 286 C CG . TYR A 1 35 ? 12.271 0.272 22.182 1.00 5.32 ? 35 TYR A CG 1
642
+ ATOM 287 C CD1 . TYR A 1 35 ? 12.606 0.615 23.490 1.00 7.14 ? 35 TYR A CD1 1
643
+ ATOM 288 C CD2 . TYR A 1 35 ? 12.139 -1.079 21.864 1.00 4.21 ? 35 TYR A CD2 1
644
+ ATOM 289 C CE1 . TYR A 1 35 ? 12.799 -0.357 24.460 1.00 7.76 ? 35 TYR A CE1 1
645
+ ATOM 290 C CE2 . TYR A 1 35 ? 12.330 -2.067 22.831 1.00 6.02 ? 35 TYR A CE2 1
646
+ ATOM 291 C CZ . TYR A 1 35 ? 12.659 -1.693 24.126 1.00 9.15 ? 35 TYR A CZ 1
647
+ ATOM 292 O OH . TYR A 1 35 ? 12.850 -2.644 25.097 1.00 13.26 ? 35 TYR A OH 1
648
+ ATOM 293 N N . LEU A 1 36 ? 11.909 1.208 17.767 1.00 4.75 ? 36 LEU A N 1
649
+ ATOM 294 C CA . LEU A 1 36 ? 11.180 1.732 16.613 1.00 3.81 ? 36 LEU A CA 1
650
+ ATOM 295 C C . LEU A 1 36 ? 9.922 0.919 16.370 1.00 4.44 ? 36 LEU A C 1
651
+ ATOM 296 O O . LEU A 1 36 ? 10.000 -0.272 16.061 1.00 6.94 ? 36 LEU A O 1
652
+ ATOM 297 C CB . LEU A 1 36 ? 12.045 1.680 15.347 1.00 5.43 ? 36 LEU A CB 1
653
+ ATOM 298 C CG . LEU A 1 36 ? 13.476 2.209 15.445 1.00 7.71 ? 36 LEU A CG 1
654
+ ATOM 299 C CD1 . LEU A 1 36 ? 14.187 1.975 14.117 1.00 11.44 ? 36 LEU A CD1 1
655
+ ATOM 300 C CD2 . LEU A 1 36 ? 13.460 3.687 15.802 1.00 12.46 ? 36 LEU A CD2 1
656
+ ATOM 301 N N . ALA A 1 37 ? 8.762 1.551 16.521 1.00 3.27 ? 37 ALA A N 1
657
+ ATOM 302 C CA . ALA A 1 37 ? 7.495 0.870 16.269 1.00 2.93 ? 37 ALA A CA 1
658
+ ATOM 303 C C . ALA A 1 37 ? 7.192 1.199 14.817 1.00 4.23 ? 37 ALA A C 1
659
+ ATOM 304 O O . ALA A 1 37 ? 6.814 2.323 14.492 1.00 4.81 ? 37 ALA A O 1
660
+ ATOM 305 C CB . ALA A 1 37 ? 6.406 1.416 17.180 1.00 2.98 ? 37 ALA A CB 1
661
+ ATOM 306 N N . ILE A 1 38 ? 7.361 0.213 13.945 1.00 3.58 ? 38 ILE A N 1
662
+ ATOM 307 C CA . ILE A 1 38 ? 7.161 0.403 12.517 1.00 3.85 ? 38 ILE A CA 1
663
+ ATOM 308 C C . ILE A 1 38 ? 5.730 0.105 12.096 1.00 3.79 ? 38 ILE A C 1
664
+ ATOM 309 O O . ILE A 1 38 ? 5.256 -1.018 12.238 1.00 5.84 ? 38 ILE A O 1
665
+ ATOM 310 C CB . ILE A 1 38 ? 8.140 -0.494 11.729 1.00 6.53 ? 38 ILE A CB 1
666
+ ATOM 311 C CG1 . ILE A 1 38 ? 9.579 -0.128 12.110 1.00 8.48 ? 38 ILE A CG1 1
667
+ ATOM 312 C CG2 . ILE A 1 38 ? 7.918 -0.332 10.229 1.00 6.94 ? 38 ILE A CG2 1
668
+ ATOM 313 C CD1 . ILE A 1 38 ? 10.637 -0.997 11.457 1.00 11.63 ? 38 ILE A CD1 1
669
+ ATOM 314 N N . LEU A 1 39 ? 5.037 1.121 11.589 1.00 5.90 ? 39 LEU A N 1
670
+ ATOM 315 C CA . LEU A 1 39 ? 3.657 0.927 11.160 1.00 5.73 ? 39 LEU A CA 1
671
+ ATOM 316 C C . LEU A 1 39 ? 3.599 0.061 9.914 1.00 7.45 ? 39 LEU A C 1
672
+ ATOM 317 O O . LEU A 1 39 ? 4.405 0.222 9.000 1.00 8.09 ? 39 LEU A O 1
673
+ ATOM 318 C CB . LEU A 1 39 ? 2.976 2.266 10.857 1.00 5.85 ? 39 LEU A CB 1
674
+ ATOM 319 C CG . LEU A 1 39 ? 2.821 3.320 11.957 1.00 4.67 ? 39 LEU A CG 1
675
+ ATOM 320 C CD1 . LEU A 1 39 ? 1.927 4.435 11.427 1.00 6.42 ? 39 LEU A CD1 1
676
+ ATOM 321 C CD2 . LEU A 1 39 ? 2.204 2.708 13.216 1.00 6.32 ? 39 LEU A CD2 1
677
+ ATOM 322 N N . GLU A 1 40 ? 2.643 -0.863 9.894 1.00 7.98 ? 40 GLU A N 1
678
+ ATOM 323 C CA . GLU A 1 40 ? 2.440 -1.738 8.746 1.00 10.94 ? 40 GLU A CA 1
679
+ ATOM 324 C C . GLU A 1 40 ? 1.551 -0.968 7.783 1.00 10.49 ? 40 GLU A C 1
680
+ ATOM 325 O O . GLU A 1 40 ? 1.733 -1.013 6.562 1.00 12.01 ? 40 GLU A O 1
681
+ ATOM 326 C CB . GLU A 1 40 ? 1.750 -3.037 9.180 1.00 10.74 ? 40 GLU A CB 1
682
+ ATOM 327 C CG . GLU A 1 40 ? 1.296 -3.918 8.029 1.00 13.88 ? 40 GLU A CG 1
683
+ ATOM 328 C CD . GLU A 1 40 ? 0.785 -5.268 8.501 1.00 18.26 ? 40 GLU A CD 1
684
+ ATOM 329 O OE1 . GLU A 1 40 ? 0.228 -6.017 7.672 1.00 21.43 ? 40 GLU A OE1 1
685
+ ATOM 330 O OE2 . GLU A 1 40 ? 0.951 -5.582 9.699 1.00 18.58 ? 40 GLU A OE2 1
686
+ ATOM 331 N N . LYS A 1 41 ? 0.591 -0.247 8.352 1.00 11.27 ? 41 LYS A N 1
687
+ ATOM 332 C CA . LYS A 1 41 ? -0.333 0.562 7.577 1.00 12.29 ? 41 LYS A CA 1
688
+ ATOM 333 C C . LYS A 1 41 ? -0.013 2.018 7.876 1.00 13.94 ? 41 LYS A C 1
689
+ ATOM 334 O O . LYS A 1 41 ? -0.431 2.556 8.903 1.00 13.65 ? 41 LYS A O 1
690
+ ATOM 335 C CB . LYS A 1 41 ? -1.775 0.245 7.978 1.00 13.04 ? 41 LYS A CB 1
691
+ ATOM 336 C CG . LYS A 1 41 ? -2.154 -1.221 7.824 1.00 13.64 ? 41 LYS A CG 1
692
+ ATOM 337 C CD . LYS A 1 41 ? -3.572 -1.478 8.309 1.00 16.47 ? 41 LYS A CD 1
693
+ ATOM 338 C CE . LYS A 1 41 ? -3.952 -2.943 8.170 1.00 18.21 ? 41 LYS A CE 1
694
+ ATOM 339 N NZ . LYS A 1 41 ? -5.350 -3.187 8.617 1.00 18.36 ? 41 LYS A NZ 1
695
+ ATOM 340 N N . ARG A 1 42 ? 0.762 2.642 6.994 1.00 13.52 ? 42 ARG A N 1
696
+ ATOM 341 C CA . ARG A 1 42 ? 1.130 4.038 7.174 1.00 14.19 ? 42 ARG A CA 1
697
+ ATOM 342 C C . ARG A 1 42 ? -0.124 4.892 7.034 1.00 15.74 ? 42 ARG A C 1
698
+ ATOM 343 O O . ARG A 1 42 ? -0.901 4.730 6.090 1.00 15.84 ? 42 ARG A O 1
699
+ ATOM 344 C CB . ARG A 1 42 ? 2.187 4.443 6.139 1.00 13.11 ? 42 ARG A CB 1
700
+ ATOM 345 C CG . ARG A 1 42 ? 3.528 3.742 6.358 1.00 11.72 ? 42 ARG A CG 1
701
+ ATOM 346 C CD . ARG A 1 42 ? 4.484 3.912 5.183 1.00 9.99 ? 42 ARG A CD 1
702
+ ATOM 347 N NE . ARG A 1 42 ? 5.743 3.207 5.422 1.00 7.48 ? 42 ARG A NE 1
703
+ ATOM 348 C CZ . ARG A 1 42 ? 6.663 2.971 4.491 1.00 9.56 ? 42 ARG A CZ 1
704
+ ATOM 349 N NH1 . ARG A 1 42 ? 6.470 3.381 3.244 1.00 11.48 ? 42 ARG A NH1 1
705
+ ATOM 350 N NH2 . ARG A 1 42 ? 7.778 2.319 4.802 1.00 9.22 ? 42 ARG A NH2 1
706
+ ATOM 351 N N . THR A 1 43 ? -0.332 5.778 7.999 1.00 15.26 ? 43 THR A N 1
707
+ ATOM 352 C CA . THR A 1 43 ? -1.491 6.654 7.984 1.00 16.31 ? 43 THR A CA 1
708
+ ATOM 353 C C . THR A 1 43 ? -1.055 8.104 8.147 1.00 13.57 ? 43 THR A C 1
709
+ ATOM 354 O O . THR A 1 43 ? -0.206 8.417 8.981 1.00 11.76 ? 43 THR A O 1
710
+ ATOM 355 C CB . THR A 1 43 ? -2.473 6.307 9.121 1.00 18.24 ? 43 THR A CB 1
711
+ ATOM 356 O OG1 . THR A 1 43 ? -2.815 4.916 9.051 1.00 23.08 ? 43 THR A OG1 1
712
+ ATOM 357 C CG2 . THR A 1 43 ? -3.741 7.141 8.995 1.00 21.14 ? 43 THR A CG2 1
713
+ ATOM 358 N N . ASN A 1 44 ? -1.639 8.980 7.337 1.00 11.52 ? 44 ASN A N 1
714
+ ATOM 359 C CA . ASN A 1 44 ? -1.328 10.402 7.382 1.00 10.94 ? 44 ASN A CA 1
715
+ ATOM 360 C C . ASN A 1 44 ? 0.163 10.685 7.247 1.00 9.64 ? 44 ASN A C 1
716
+ ATOM 361 O O . ASN A 1 44 ? 0.683 11.639 7.836 1.00 10.82 ? 44 ASN A O 1
717
+ ATOM 362 C CB . ASN A 1 44 ? -1.866 11.006 8.679 1.00 11.89 ? 44 ASN A CB 1
718
+ ATOM 363 C CG . ASN A 1 44 ? -3.376 10.985 8.735 1.00 12.68 ? 44 ASN A CG 1
719
+ ATOM 364 O OD1 . ASN A 1 44 ? -4.043 11.501 7.837 1.00 14.03 ? 44 ASN A OD1 1
720
+ ATOM 365 N ND2 . ASN A 1 44 ? -3.927 10.387 9.786 1.00 14.00 ? 44 ASN A ND2 1
721
+ ATOM 366 N N . GLY A 1 45 ? 0.842 9.843 6.474 1.00 9.19 ? 45 GLY A N 1
722
+ ATOM 367 C CA . GLY A 1 45 ? 2.267 10.010 6.250 1.00 7.73 ? 45 GLY A CA 1
723
+ ATOM 368 C C . GLY A 1 45 ? 3.190 9.488 7.335 1.00 7.67 ? 45 GLY A C 1
724
+ ATOM 369 O O . GLY A 1 45 ? 4.407 9.480 7.148 1.00 8.71 ? 45 GLY A O 1
725
+ ATOM 370 N N . ILE A 1 46 ? 2.635 9.053 8.463 1.00 5.96 ? 46 ILE A N 1
726
+ ATOM 371 C CA . ILE A 1 46 ? 3.462 8.556 9.558 1.00 6.29 ? 46 ILE A CA 1
727
+ ATOM 372 C C . ILE A 1 46 ? 4.044 7.184 9.236 1.00 5.76 ? 46 ILE A C 1
728
+ ATOM 373 O O . ILE A 1 46 ? 3.333 6.288 8.780 1.00 7.78 ? 46 ILE A O 1
729
+ ATOM 374 C CB . ILE A 1 46 ? 2.652 8.474 10.875 1.00 6.61 ? 46 ILE A CB 1
730
+ ATOM 375 C CG1 . ILE A 1 46 ? 2.162 9.869 11.266 1.00 7.82 ? 46 ILE A CG1 1
731
+ ATOM 376 C CG2 . ILE A 1 46 ? 3.514 7.892 11.985 1.00 5.79 ? 46 ILE A CG2 1
732
+ ATOM 377 C CD1 . ILE A 1 46 ? 1.319 9.896 12.532 1.00 9.73 ? 46 ILE A CD1 1
733
+ ATOM 378 N N . ARG A 1 47 ? 5.344 7.025 9.466 1.00 5.33 ? 47 ARG A N 1
734
+ ATOM 379 C CA . ARG A 1 47 ? 5.999 5.755 9.188 1.00 6.58 ? 47 ARG A CA 1
735
+ ATOM 380 C C . ARG A 1 47 ? 6.321 4.998 10.460 1.00 6.43 ? 47 ARG A C 1
736
+ ATOM 381 O O . ARG A 1 47 ? 6.144 3.780 10.521 1.00 6.12 ? 47 ARG A O 1
737
+ ATOM 382 C CB . ARG A 1 47 ? 7.254 5.975 8.348 1.00 7.56 ? 47 ARG A CB 1
738
+ ATOM 383 C CG . ARG A 1 47 ? 6.908 6.481 6.957 1.00 7.96 ? 47 ARG A CG 1
739
+ ATOM 384 C CD . ARG A 1 47 ? 7.965 6.127 5.928 1.00 14.53 ? 47 ARG A CD 1
740
+ ATOM 385 N NE . ARG A 1 47 ? 7.512 6.472 4.580 1.00 15.66 ? 47 ARG A NE 1
741
+ ATOM 386 C CZ . ARG A 1 47 ? 8.167 6.166 3.466 1.00 18.45 ? 47 ARG A CZ 1
742
+ ATOM 387 N NH1 . ARG A 1 47 ? 9.313 5.503 3.528 1.00 19.45 ? 47 ARG A NH1 1
743
+ ATOM 388 N NH2 . ARG A 1 47 ? 7.673 6.526 2.287 1.00 19.16 ? 47 ARG A NH2 1
744
+ ATOM 389 N N . ASN A 1 48 ? 6.801 5.704 11.477 1.00 5.09 ? 48 ASN A N 1
745
+ ATOM 390 C CA . ASN A 1 48 ? 7.070 5.031 12.736 1.00 5.40 ? 48 ASN A CA 1
746
+ ATOM 391 C C . ASN A 1 48 ? 7.039 5.954 13.935 1.00 4.17 ? 48 ASN A C 1
747
+ ATOM 392 O O . ASN A 1 48 ? 7.114 7.175 13.801 1.00 4.36 ? 48 ASN A O 1
748
+ ATOM 393 C CB . ASN A 1 48 ? 8.403 4.262 12.682 1.00 9.61 ? 48 ASN A CB 1
749
+ ATOM 394 C CG . ASN A 1 48 ? 9.612 5.159 12.506 1.00 12.05 ? 48 ASN A CG 1
750
+ ATOM 395 O OD1 . ASN A 1 48 ? 10.572 4.790 11.820 1.00 17.01 ? 48 ASN A OD1 1
751
+ ATOM 396 N ND2 . ASN A 1 48 ? 9.594 6.322 13.143 1.00 15.12 ? 48 ASN A ND2 1
752
+ ATOM 397 N N . PHE A 1 49 ? 6.863 5.346 15.104 1.00 4.74 ? 49 PHE A N 1
753
+ ATOM 398 C CA . PHE A 1 49 ? 6.868 6.051 16.381 1.00 3.34 ? 49 PHE A CA 1
754
+ ATOM 399 C C . PHE A 1 49 ? 8.111 5.507 17.066 1.00 4.80 ? 49 PHE A C 1
755
+ ATOM 400 O O . PHE A 1 49 ? 8.347 4.296 17.056 1.00 5.45 ? 49 PHE A O 1
756
+ ATOM 401 C CB . PHE A 1 49 ? 5.627 5.721 17.210 1.00 5.52 ? 49 PHE A CB 1
757
+ ATOM 402 C CG . PHE A 1 49 ? 4.351 6.282 16.648 1.00 7.00 ? 49 PHE A CG 1
758
+ ATOM 403 C CD1 . PHE A 1 49 ? 3.643 5.593 15.666 1.00 4.96 ? 49 PHE A CD1 1
759
+ ATOM 404 C CD2 . PHE A 1 49 ? 3.843 7.490 17.122 1.00 5.80 ? 49 PHE A CD2 1
760
+ ATOM 405 C CE1 . PHE A 1 49 ? 2.439 6.098 15.163 1.00 8.02 ? 49 PHE A CE1 1
761
+ ATOM 406 C CE2 . PHE A 1 49 ? 2.641 8.005 16.627 1.00 7.53 ? 49 PHE A CE2 1
762
+ ATOM 407 C CZ . PHE A 1 49 ? 1.938 7.307 15.647 1.00 7.51 ? 49 PHE A CZ 1
763
+ ATOM 408 N N . GLU A 1 50 ? 8.899 6.385 17.673 1.00 2.47 ? 50 GLU A N 1
764
+ ATOM 409 C CA . GLU A 1 50 ? 10.149 5.953 18.279 1.00 4.41 ? 50 GLU A CA 1
765
+ ATOM 410 C C . GLU A 1 50 ? 10.409 6.413 19.707 1.00 4.08 ? 50 GLU A C 1
766
+ ATOM 411 O O . GLU A 1 50 ? 10.010 7.506 20.106 1.00 5.67 ? 50 GLU A O 1
767
+ ATOM 412 C CB . GLU A 1 50 ? 11.309 6.434 17.400 1.00 6.23 ? 50 GLU A CB 1
768
+ ATOM 413 C CG . GLU A 1 50 ? 11.113 6.192 15.905 1.00 9.74 ? 50 GLU A CG 1
769
+ ATOM 414 C CD . GLU A 1 50 ? 12.177 6.865 15.053 1.00 12.02 ? 50 GLU A CD 1
770
+ ATOM 415 O OE1 . GLU A 1 50 ? 13.044 7.569 15.618 1.00 11.79 ? 50 GLU A OE1 1
771
+ ATOM 416 O OE2 . GLU A 1 50 ? 12.147 6.694 13.815 1.00 14.44 ? 50 GLU A OE2 1
772
+ ATOM 417 N N . ILE A 1 51 ? 11.083 5.553 20.466 1.00 3.98 ? 51 ILE A N 1
773
+ ATOM 418 C CA . ILE A 1 51 ? 11.494 5.849 21.837 1.00 3.48 ? 51 ILE A CA 1
774
+ ATOM 419 C C . ILE A 1 51 ? 13.011 5.781 21.737 1.00 4.86 ? 51 ILE A C 1
775
+ ATOM 420 O O . ILE A 1 51 ? 13.595 4.696 21.662 1.00 5.35 ? 51 ILE A O 1
776
+ ATOM 421 C CB . ILE A 1 51 ? 10.998 4.797 22.847 1.00 2.64 ? 51 ILE A CB 1
777
+ ATOM 422 C CG1 . ILE A 1 51 ? 9.477 4.889 23.001 1.00 5.92 ? 51 ILE A CG1 1
778
+ ATOM 423 C CG2 . ILE A 1 51 ? 11.678 5.015 24.194 1.00 5.88 ? 51 ILE A CG2 1
779
+ ATOM 424 C CD1 . ILE A 1 51 ? 8.977 6.231 23.555 1.00 6.90 ? 51 ILE A CD1 1
780
+ ATOM 425 N N . ASN A 1 52 ? 13.650 6.944 21.731 1.00 4.67 ? 52 ASN A N 1
781
+ ATOM 426 C CA . ASN A 1 52 ? 15.093 7.005 21.573 1.00 5.04 ? 52 ASN A CA 1
782
+ ATOM 427 C C . ASN A 1 52 ? 15.892 7.195 22.851 1.00 6.21 ? 52 ASN A C 1
783
+ ATOM 428 O O . ASN A 1 52 ? 15.429 7.825 23.804 1.00 5.04 ? 52 ASN A O 1
784
+ ATOM 429 C CB . ASN A 1 52 ? 15.426 8.094 20.559 1.00 7.94 ? 52 ASN A CB 1
785
+ ATOM 430 C CG . ASN A 1 52 ? 14.764 7.840 19.223 1.00 5.96 ? 52 ASN A CG 1
786
+ ATOM 431 O OD1 . ASN A 1 52 ? 14.730 6.702 18.752 1.00 9.88 ? 52 ASN A OD1 1
787
+ ATOM 432 N ND2 . ASN A 1 52 ? 14.241 8.890 18.603 1.00 10.40 ? 52 ASN A ND2 1
788
+ ATOM 433 N N . ASN A 1 53 ? 17.100 6.637 22.858 1.00 7.18 ? 53 ASN A N 1
789
+ ATOM 434 C CA . ASN A 1 53 ? 17.968 6.715 24.022 1.00 8.18 ? 53 ASN A CA 1
790
+ ATOM 435 C C . ASN A 1 53 ? 18.466 8.129 24.292 1.00 9.21 ? 53 ASN A C 1
791
+ ATOM 436 O O . ASN A 1 53 ? 19.043 8.385 25.345 1.00 11.17 ? 53 ASN A O 1
792
+ ATOM 437 C CB . ASN A 1 53 ? 19.151 5.744 23.874 1.00 7.59 ? 53 ASN A CB 1
793
+ ATOM 438 C CG . ASN A 1 53 ? 20.170 6.201 22.842 1.00 7.26 ? 53 ASN A CG 1
794
+ ATOM 439 O OD1 . ASN A 1 53 ? 20.840 7.221 23.023 1.00 9.57 ? 53 ASN A OD1 1
795
+ ATOM 440 N ND2 . ASN A 1 53 ? 20.290 5.446 21.751 1.00 5.97 ? 53 ASN A ND2 1
796
+ ATOM 441 N N . ASN A 1 54 ? 18.232 9.047 23.353 1.00 7.94 ? 54 ASN A N 1
797
+ ATOM 442 C CA . ASN A 1 54 ? 18.654 10.435 23.540 1.00 9.91 ? 54 ASN A CA 1
798
+ ATOM 443 C C . ASN A 1 54 ? 17.632 11.183 24.394 1.00 9.29 ? 54 ASN A C 1
799
+ ATOM 444 O O . ASN A 1 54 ? 17.779 12.381 24.654 1.00 11.17 ? 54 ASN A O 1
800
+ ATOM 445 C CB . ASN A 1 54 ? 18.837 11.152 22.195 1.00 10.88 ? 54 ASN A CB 1
801
+ ATOM 446 C CG . ASN A 1 54 ? 17.560 11.211 21.374 1.00 12.06 ? 54 ASN A CG 1
802
+ ATOM 447 O OD1 . ASN A 1 54 ? 16.459 11.019 21.891 1.00 8.60 ? 54 ASN A OD1 1
803
+ ATOM 448 N ND2 . ASN A 1 54 ? 17.705 11.495 20.085 1.00 17.50 ? 54 ASN A ND2 1
804
+ ATOM 449 N N . GLY A 1 55 ? 16.600 10.464 24.828 1.00 8.75 ? 55 GLY A N 1
805
+ ATOM 450 C CA . GLY A 1 55 ? 15.578 11.053 25.673 1.00 8.01 ? 55 GLY A CA 1
806
+ ATOM 451 C C . GLY A 1 55 ? 14.321 11.537 24.972 1.00 7.20 ? 55 GLY A C 1
807
+ ATOM 452 O O . GLY A 1 55 ? 13.383 11.990 25.627 1.00 6.29 ? 55 GLY A O 1
808
+ ATOM 453 N N . ASN A 1 56 ? 14.282 11.438 23.648 1.00 7.21 ? 56 ASN A N 1
809
+ ATOM 454 C CA . ASN A 1 56 ? 13.107 11.906 22.919 1.00 7.86 ? 56 ASN A CA 1
810
+ ATOM 455 C C . ASN A 1 56 ? 12.204 10.804 22.396 1.00 6.73 ? 56 ASN A C 1
811
+ ATOM 456 O O . ASN A 1 56 ? 12.626 9.654 22.232 1.00 5.80 ? 56 ASN A O 1
812
+ ATOM 457 C CB . ASN A 1 56 ? 13.513 12.755 21.706 1.00 9.94 ? 56 ASN A CB 1
813
+ ATOM 458 C CG . ASN A 1 56 ? 14.479 13.867 22.054 1.00 14.01 ? 56 ASN A CG 1
814
+ ATOM 459 O OD1 . ASN A 1 56 ? 14.300 14.575 23.043 1.00 16.34 ? 56 ASN A OD1 1
815
+ ATOM 460 N ND2 . ASN A 1 56 ? 15.507 14.034 21.226 1.00 18.29 ? 56 ASN A ND2 1
816
+ ATOM 461 N N . MET A 1 57 ? 10.942 11.168 22.173 1.00 5.33 ? 57 MET A N 1
817
+ ATOM 462 C CA . MET A 1 57 ? 9.985 10.268 21.545 1.00 4.05 ? 57 MET A CA 1
818
+ ATOM 463 C C . MET A 1 57 ? 9.927 10.957 20.192 1.00 5.04 ? 57 MET A C 1
819
+ ATOM 464 O O . MET A 1 57 ? 9.852 12.185 20.120 1.00 5.46 ? 57 MET A O 1
820
+ ATOM 465 C CB . MET A 1 57 ? 8.596 10.321 22.187 1.00 5.75 ? 57 MET A CB 1
821
+ ATOM 466 C CG . MET A 1 57 ? 7.553 9.544 21.373 1.00 8.44 ? 57 MET A CG 1
822
+ ATOM 467 S SD . MET A 1 57 ? 5.839 9.814 21.899 1.00 9.09 ? 57 MET A SD 1
823
+ ATOM 468 C CE . MET A 1 57 ? 4.996 8.567 20.986 1.00 13.60 ? 57 MET A CE 1
824
+ ATOM 469 N N . ARG A 1 58 ? 9.982 10.188 19.118 1.00 4.39 ? 58 ARG A N 1
825
+ ATOM 470 C CA . ARG A 1 58 ? 9.950 10.797 17.807 1.00 5.30 ? 58 ARG A CA 1
826
+ ATOM 471 C C . ARG A 1 58 ? 8.927 10.167 16.896 1.00 5.89 ? 58 ARG A C 1
827
+ ATOM 472 O O . ARG A 1 58 ? 8.588 8.994 17.031 1.00 5.91 ? 58 ARG A O 1
828
+ ATOM 473 C CB . ARG A 1 58 ? 11.337 10.702 17.152 1.00 7.88 ? 58 ARG A CB 1
829
+ ATOM 474 C CG . ARG A 1 58 ? 11.333 10.936 15.648 1.00 10.07 ? 58 ARG A CG 1
830
+ ATOM 475 C CD . ARG A 1 58 ? 12.739 10.950 15.060 1.00 13.54 ? 58 ARG A CD 1
831
+ ATOM 476 N NE . ARG A 1 58 ? 13.400 12.242 15.231 1.00 15.49 ? 58 ARG A NE 1
832
+ ATOM 477 C CZ . ARG A 1 58 ? 14.584 12.546 14.707 1.00 16.72 ? 58 ARG A CZ 1
833
+ ATOM 478 N NH1 . ARG A 1 58 ? 15.236 11.649 13.980 1.00 17.15 ? 58 ARG A NH1 1
834
+ ATOM 479 N NH2 . ARG A 1 58 ? 15.113 13.747 14.904 1.00 15.37 ? 58 ARG A NH2 1
835
+ ATOM 480 N N . ILE A 1 59 ? 8.423 10.977 15.977 1.00 5.36 ? 59 ILE A N 1
836
+ ATOM 481 C CA . ILE A 1 59 ? 7.499 10.511 14.962 1.00 5.77 ? 59 ILE A CA 1
837
+ ATOM 482 C C . ILE A 1 59 ? 8.264 10.754 13.667 1.00 4.78 ? 59 ILE A C 1
838
+ ATOM 483 O O . ILE A 1 59 ? 8.748 11.867 13.425 1.00 5.01 ? 59 ILE A O 1
839
+ ATOM 484 C CB . ILE A 1 59 ? 6.193 11.330 14.921 1.00 5.43 ? 59 ILE A CB 1
840
+ ATOM 485 C CG1 . ILE A 1 59 ? 5.295 10.948 16.103 1.00 4.17 ? 59 ILE A CG1 1
841
+ ATOM 486 C CG2 . ILE A 1 59 ? 5.476 11.088 13.590 1.00 7.61 ? 59 ILE A CG2 1
842
+ ATOM 487 C CD1 . ILE A 1 59 ? 3.969 11.700 16.146 1.00 6.18 ? 59 ILE A CD1 1
843
+ ATOM 488 N N . PHE A 1 60 ? 8.422 9.706 12.867 1.00 4.78 ? 60 PHE A N 1
844
+ ATOM 489 C CA . PHE A 1 60 ? 9.101 9.823 11.589 1.00 5.13 ? 60 PHE A CA 1
845
+ ATOM 490 C C . PHE A 1 60 ? 8.024 9.681 10.529 1.00 5.46 ? 60 PHE A C 1
846
+ ATOM 491 O O . PHE A 1 60 ? 7.309 8.685 10.497 1.00 6.82 ? 60 PHE A O 1
847
+ ATOM 492 C CB . PHE A 1 60 ? 10.158 8.726 11.414 1.00 6.25 ? 60 PHE A CB 1
848
+ ATOM 493 C CG . PHE A 1 60 ? 10.765 8.690 10.042 1.00 10.93 ? 60 PHE A CG 1
849
+ ATOM 494 C CD1 . PHE A 1 60 ? 11.330 9.835 9.487 1.00 13.85 ? 60 PHE A CD1 1
850
+ ATOM 495 C CD2 . PHE A 1 60 ? 10.749 7.517 9.292 1.00 13.30 ? 60 PHE A CD2 1
851
+ ATOM 496 C CE1 . PHE A 1 60 ? 11.870 9.815 8.196 1.00 14.65 ? 60 PHE A CE1 1
852
+ ATOM 497 C CE2 . PHE A 1 60 ? 11.285 7.484 8.003 1.00 15.07 ? 60 PHE A CE2 1
853
+ ATOM 498 C CZ . PHE A 1 60 ? 11.846 8.635 7.453 1.00 15.38 ? 60 PHE A CZ 1
854
+ ATOM 499 N N . GLY A 1 61 ? 7.900 10.694 9.680 1.00 5.96 ? 61 GLY A N 1
855
+ ATOM 500 C CA . GLY A 1 61 ? 6.883 10.671 8.645 1.00 7.03 ? 61 GLY A CA 1
856
+ ATOM 501 C C . GLY A 1 61 ? 7.385 11.196 7.319 1.00 6.97 ? 61 GLY A C 1
857
+ ATOM 502 O O . GLY A 1 61 ? 8.543 11.583 7.186 1.00 5.66 ? 61 GLY A O 1
858
+ ATOM 503 N N . TYR A 1 62 ? 6.498 11.216 6.331 1.00 7.27 ? 62 TYR A N 1
859
+ ATOM 504 C CA . TYR A 1 62 ? 6.850 11.672 4.997 1.00 8.73 ? 62 TYR A CA 1
860
+ ATOM 505 C C . TYR A 1 62 ? 5.707 12.485 4.407 1.00 8.81 ? 62 TYR A C 1
861
+ ATOM 506 O O . TYR A 1 62 ? 4.575 12.016 4.347 1.00 7.36 ? 62 TYR A O 1
862
+ ATOM 507 C CB . TYR A 1 62 ? 7.147 10.460 4.110 1.00 8.21 ? 62 TYR A CB 1
863
+ ATOM 508 C CG . TYR A 1 62 ? 7.311 10.776 2.645 1.00 11.86 ? 62 TYR A CG 1
864
+ ATOM 509 C CD1 . TYR A 1 62 ? 8.373 11.555 2.193 1.00 11.61 ? 62 TYR A CD1 1
865
+ ATOM 510 C CD2 . TYR A 1 62 ? 6.405 10.287 1.705 1.00 11.85 ? 62 TYR A CD2 1
866
+ ATOM 511 C CE1 . TYR A 1 62 ? 8.533 11.836 0.840 1.00 12.34 ? 62 TYR A CE1 1
867
+ ATOM 512 C CE2 . TYR A 1 62 ? 6.552 10.562 0.353 1.00 14.38 ? 62 TYR A CE2 1
868
+ ATOM 513 C CZ . TYR A 1 62 ? 7.620 11.336 -0.074 1.00 13.80 ? 62 TYR A CZ 1
869
+ ATOM 514 O OH . TYR A 1 62 ? 7.780 11.600 -1.414 1.00 14.45 ? 62 TYR A OH 1
870
+ ATOM 515 N N . LYS A 1 63 ? 6.016 13.708 3.987 1.00 10.32 ? 63 LYS A N 1
871
+ ATOM 516 C CA . LYS A 1 63 ? 5.030 14.597 3.390 1.00 13.00 ? 63 LYS A CA 1
872
+ ATOM 517 C C . LYS A 1 63 ? 3.733 14.690 4.187 1.00 13.28 ? 63 LYS A C 1
873
+ ATOM 518 O O . LYS A 1 63 ? 2.644 14.515 3.634 1.00 13.80 ? 63 LYS A O 1
874
+ ATOM 519 C CB . LYS A 1 63 ? 4.721 14.143 1.962 1.00 15.09 ? 63 LYS A CB 1
875
+ ATOM 520 C CG . LYS A 1 63 ? 5.870 14.326 0.993 1.00 20.11 ? 63 LYS A CG 1
876
+ ATOM 521 C CD . LYS A 1 63 ? 6.160 15.800 0.753 1.00 24.04 ? 63 LYS A CD 1
877
+ ATOM 522 C CE . LYS A 1 63 ? 7.214 15.981 -0.330 1.00 26.66 ? 63 LYS A CE 1
878
+ ATOM 523 N NZ . LYS A 1 63 ? 6.818 15.307 -1.597 1.00 27.45 ? 63 LYS A NZ 1
879
+ ATOM 524 N N . MET A 1 64 ? 3.849 14.968 5.483 1.00 11.43 ? 64 MET A N 1
880
+ ATOM 525 C CA . MET A 1 64 ? 2.676 15.097 6.337 1.00 10.97 ? 64 MET A CA 1
881
+ ATOM 526 C C . MET A 1 64 ? 2.001 16.437 6.056 1.00 11.03 ? 64 MET A C 1
882
+ ATOM 527 O O . MET A 1 64 ? 2.654 17.393 5.631 1.00 10.89 ? 64 MET A O 1
883
+ ATOM 528 C CB . MET A 1 64 ? 3.077 14.993 7.820 1.00 10.37 ? 64 MET A CB 1
884
+ ATOM 529 C CG . MET A 1 64 ? 3.615 13.613 8.229 1.00 8.34 ? 64 MET A CG 1
885
+ ATOM 530 S SD . MET A 1 64 ? 4.142 13.482 9.975 1.00 0.87 ? 64 MET A SD 1
886
+ ATOM 531 C CE . MET A 1 64 ? 2.539 13.382 10.792 1.00 8.68 ? 64 MET A CE 1
887
+ ATOM 532 N N . MET A 1 65 ? 0.691 16.499 6.269 1.00 12.51 ? 65 MET A N 1
888
+ ATOM 533 C CA . MET A 1 65 ? -0.050 17.728 6.032 1.00 14.27 ? 65 MET A CA 1
889
+ ATOM 534 C C . MET A 1 65 ? 0.330 18.762 7.084 1.00 13.64 ? 65 MET A C 1
890
+ ATOM 535 O O . MET A 1 65 ? 0.513 18.438 8.258 1.00 12.88 ? 65 MET A O 1
891
+ ATOM 536 C CB . MET A 1 65 ? -1.559 17.461 6.072 1.00 15.32 ? 65 MET A CB 1
892
+ ATOM 537 C CG . MET A 1 65 ? -2.062 16.494 5.003 1.00 18.92 ? 65 MET A CG 1
893
+ ATOM 538 S SD . MET A 1 65 ? -1.839 17.086 3.305 1.00 21.96 ? 65 MET A SD 1
894
+ ATOM 539 C CE . MET A 1 65 ? -0.426 16.111 2.785 1.00 25.13 ? 65 MET A CE 1
895
+ ATOM 540 N N . GLU A 1 66 ? 0.451 20.010 6.647 1.00 15.11 ? 66 GLU A N 1
896
+ ATOM 541 C CA . GLU A 1 66 ? 0.823 21.103 7.531 1.00 15.87 ? 66 GLU A CA 1
897
+ ATOM 542 C C . GLU A 1 66 ? -0.126 21.235 8.719 1.00 14.86 ? 66 GLU A C 1
898
+ ATOM 543 O O . GLU A 1 66 ? 0.318 21.401 9.852 1.00 14.25 ? 66 GLU A O 1
899
+ ATOM 544 C CB . GLU A 1 66 ? 0.857 22.412 6.739 1.00 18.90 ? 66 GLU A CB 1
900
+ ATOM 545 C CG . GLU A 1 66 ? 2.048 23.305 7.046 1.00 23.81 ? 66 GLU A CG 1
901
+ ATOM 546 C CD . GLU A 1 66 ? 1.953 23.984 8.395 1.00 24.96 ? 66 GLU A CD 1
902
+ ATOM 547 O OE1 . GLU A 1 66 ? 0.989 24.751 8.605 1.00 26.38 ? 66 GLU A OE1 1
903
+ ATOM 548 O OE2 . GLU A 1 66 ? 2.845 23.758 9.244 1.00 25.34 ? 66 GLU A OE2 1
904
+ ATOM 549 N N . HIS A 1 67 ? -1.430 21.149 8.476 1.00 14.43 ? 67 HIS A N 1
905
+ ATOM 550 C CA . HIS A 1 67 ? -2.373 21.286 9.576 1.00 16.17 ? 67 HIS A CA 1
906
+ ATOM 551 C C . HIS A 1 67 ? -2.321 20.102 10.536 1.00 14.27 ? 67 HIS A C 1
907
+ ATOM 552 O O . HIS A 1 67 ? -2.841 20.182 11.644 1.00 14.49 ? 67 HIS A O 1
908
+ ATOM 553 C CB . HIS A 1 67 ? -3.798 21.529 9.054 1.00 17.23 ? 67 HIS A CB 1
909
+ ATOM 554 C CG . HIS A 1 67 ? -4.429 20.345 8.391 1.00 20.42 ? 67 HIS A CG 1
910
+ ATOM 555 N ND1 . HIS A 1 67 ? -5.332 19.527 9.035 1.00 21.74 ? 67 HIS A ND1 1
911
+ ATOM 556 C CD2 . HIS A 1 67 ? -4.319 19.864 7.130 1.00 21.45 ? 67 HIS A CD2 1
912
+ ATOM 557 C CE1 . HIS A 1 67 ? -5.754 18.596 8.198 1.00 22.99 ? 67 HIS A CE1 1
913
+ ATOM 558 N NE2 . HIS A 1 67 ? -5.155 18.778 7.036 1.00 21.80 ? 67 HIS A NE2 1
914
+ ATOM 559 N N . HIS A 1 68 ? -1.694 19.006 10.113 1.00 12.86 ? 68 HIS A N 1
915
+ ATOM 560 C CA . HIS A 1 68 ? -1.546 17.851 10.993 1.00 11.26 ? 68 HIS A CA 1
916
+ ATOM 561 C C . HIS A 1 68 ? -0.328 18.148 11.860 1.00 11.63 ? 68 HIS A C 1
917
+ ATOM 562 O O . HIS A 1 68 ? -0.364 17.988 13.078 1.00 11.53 ? 68 HIS A O 1
918
+ ATOM 563 C CB . HIS A 1 68 ? -1.307 16.561 10.202 1.00 10.56 ? 68 HIS A CB 1
919
+ ATOM 564 C CG . HIS A 1 68 ? -2.546 15.977 9.598 1.00 11.55 ? 68 HIS A CG 1
920
+ ATOM 565 N ND1 . HIS A 1 68 ? -3.813 16.396 9.943 1.00 13.03 ? 68 HIS A ND1 1
921
+ ATOM 566 C CD2 . HIS A 1 68 ? -2.712 14.978 8.700 1.00 11.14 ? 68 HIS A CD2 1
922
+ ATOM 567 C CE1 . HIS A 1 68 ? -4.706 15.679 9.283 1.00 11.53 ? 68 HIS A CE1 1
923
+ ATOM 568 N NE2 . HIS A 1 68 ? -4.064 14.812 8.522 1.00 13.32 ? 68 HIS A NE2 1
924
+ ATOM 569 N N . ILE A 1 69 ? 0.748 18.596 11.219 1.00 11.20 ? 69 ILE A N 1
925
+ ATOM 570 C CA . ILE A 1 69 ? 1.974 18.946 11.929 1.00 12.11 ? 69 ILE A CA 1
926
+ ATOM 571 C C . ILE A 1 69 ? 1.650 19.967 13.016 1.00 12.16 ? 69 ILE A C 1
927
+ ATOM 572 O O . ILE A 1 69 ? 2.139 19.865 14.140 1.00 10.27 ? 69 ILE A O 1
928
+ ATOM 573 C CB . ILE A 1 69 ? 3.032 19.546 10.963 1.00 12.22 ? 69 ILE A CB 1
929
+ ATOM 574 C CG1 . ILE A 1 69 ? 3.592 18.440 10.058 1.00 13.21 ? 69 ILE A CG1 1
930
+ ATOM 575 C CG2 . ILE A 1 69 ? 4.148 20.232 11.754 1.00 12.62 ? 69 ILE A CG2 1
931
+ ATOM 576 C CD1 . ILE A 1 69 ? 4.614 18.920 9.039 1.00 14.33 ? 69 ILE A CD1 1
932
+ ATOM 577 N N . GLN A 1 70 ? 0.811 20.945 12.679 1.00 11.76 ? 70 GLN A N 1
933
+ ATOM 578 C CA . GLN A 1 70 ? 0.426 21.984 13.626 1.00 13.00 ? 70 GLN A CA 1
934
+ ATOM 579 C C . GLN A 1 70 ? -0.179 21.420 14.905 1.00 12.03 ? 70 GLN A C 1
935
+ ATOM 580 O O . GLN A 1 70 ? 0.040 21.957 15.986 1.00 12.88 ? 70 GLN A O 1
936
+ ATOM 581 C CB . GLN A 1 70 ? -0.567 22.964 12.985 1.00 15.05 ? 70 GLN A CB 1
937
+ ATOM 582 C CG . GLN A 1 70 ? 0.006 23.751 11.822 1.00 20.26 ? 70 GLN A CG 1
938
+ ATOM 583 C CD . GLN A 1 70 ? -0.970 24.771 11.264 1.00 22.81 ? 70 GLN A CD 1
939
+ ATOM 584 O OE1 . GLN A 1 70 ? -2.091 24.434 10.883 1.00 25.18 ? 70 GLN A OE1 1
940
+ ATOM 585 N NE2 . GLN A 1 70 ? -0.542 26.027 11.206 1.00 25.81 ? 70 GLN A NE2 1
941
+ ATOM 586 N N . LYS A 1 71 ? -0.946 20.340 14.787 1.00 11.04 ? 71 LYS A N 1
942
+ ATOM 587 C CA . LYS A 1 71 ? -1.554 19.742 15.966 1.00 10.07 ? 71 LYS A CA 1
943
+ ATOM 588 C C . LYS A 1 71 ? -0.485 19.152 16.886 1.00 9.19 ? 71 LYS A C 1
944
+ ATOM 589 O O . LYS A 1 71 ? -0.644 19.142 18.108 1.00 8.99 ? 71 LYS A O 1
945
+ ATOM 590 C CB . LYS A 1 71 ? -2.564 18.666 15.555 1.00 10.68 ? 71 LYS A CB 1
946
+ ATOM 591 C CG . LYS A 1 71 ? -3.776 19.230 14.823 1.00 11.34 ? 71 LYS A CG 1
947
+ ATOM 592 C CD . LYS A 1 71 ? -4.792 18.144 14.496 1.00 13.55 ? 71 LYS A CD 1
948
+ ATOM 593 C CE . LYS A 1 71 ? -6.025 18.722 13.823 1.00 15.91 ? 71 LYS A CE 1
949
+ ATOM 594 N NZ . LYS A 1 71 ? -7.027 17.667 13.508 1.00 17.19 ? 71 LYS A NZ 1
950
+ ATOM 595 N N . PHE A 1 72 ? 0.610 18.676 16.298 1.00 9.07 ? 72 PHE A N 1
951
+ ATOM 596 C CA . PHE A 1 72 ? 1.693 18.102 17.091 1.00 8.56 ? 72 PHE A CA 1
952
+ ATOM 597 C C . PHE A 1 72 ? 2.564 19.188 17.727 1.00 8.52 ? 72 PHE A C 1
953
+ ATOM 598 O O . PHE A 1 72 ? 2.975 19.064 18.877 1.00 10.39 ? 72 PHE A O 1
954
+ ATOM 599 C CB . PHE A 1 72 ? 2.565 17.183 16.233 1.00 5.26 ? 72 PHE A CB 1
955
+ ATOM 600 C CG . PHE A 1 72 ? 1.909 15.871 15.883 1.00 5.68 ? 72 PHE A CG 1
956
+ ATOM 601 C CD1 . PHE A 1 72 ? 1.582 15.571 14.562 1.00 6.16 ? 72 PHE A CD1 1
957
+ ATOM 602 C CD2 . PHE A 1 72 ? 1.641 14.923 16.874 1.00 6.00 ? 72 PHE A CD2 1
958
+ ATOM 603 C CE1 . PHE A 1 72 ? 0.997 14.343 14.227 1.00 5.55 ? 72 PHE A CE1 1
959
+ ATOM 604 C CE2 . PHE A 1 72 ? 1.058 13.690 16.552 1.00 7.71 ? 72 PHE A CE2 1
960
+ ATOM 605 C CZ . PHE A 1 72 ? 0.734 13.398 15.228 1.00 6.71 ? 72 PHE A CZ 1
961
+ ATOM 606 N N . THR A 1 73 ? 2.848 20.251 16.983 1.00 10.43 ? 73 THR A N 1
962
+ ATOM 607 C CA . THR A 1 73 ? 3.665 21.328 17.528 1.00 10.54 ? 73 THR A CA 1
963
+ ATOM 608 C C . THR A 1 73 ? 2.855 22.041 18.608 1.00 11.90 ? 73 THR A C 1
964
+ ATOM 609 O O . THR A 1 73 ? 3.408 22.622 19.542 1.00 12.39 ? 73 THR A O 1
965
+ ATOM 610 C CB . THR A 1 73 ? 4.087 22.335 16.426 1.00 10.48 ? 73 THR A CB 1
966
+ ATOM 611 O OG1 . THR A 1 73 ? 2.926 22.866 15.782 1.00 11.99 ? 73 THR A OG1 1
967
+ ATOM 612 C CG2 . THR A 1 73 ? 4.962 21.650 15.386 1.00 12.67 ? 73 THR A CG2 1
968
+ ATOM 613 N N . ASP A 1 74 ? 1.535 21.954 18.482 1.00 13.37 ? 74 ASP A N 1
969
+ ATOM 614 C CA . ASP A 1 74 ? 0.614 22.573 19.423 1.00 15.75 ? 74 ASP A CA 1
970
+ ATOM 615 C C . ASP A 1 74 ? 0.698 21.933 20.812 1.00 15.76 ? 74 ASP A C 1
971
+ ATOM 616 O O . ASP A 1 74 ? 0.364 22.569 21.817 1.00 17.12 ? 74 ASP A O 1
972
+ ATOM 617 C CB . ASP A 1 74 ? -0.807 22.473 18.862 1.00 19.24 ? 74 ASP A CB 1
973
+ ATOM 618 C CG . ASP A 1 74 ? -1.822 23.214 19.699 1.00 23.46 ? 74 ASP A CG 1
974
+ ATOM 619 O OD1 . ASP A 1 74 ? -2.211 22.692 20.764 1.00 27.82 ? 74 ASP A OD1 1
975
+ ATOM 620 O OD2 . ASP A 1 74 ? -2.229 24.323 19.290 1.00 24.54 ? 74 ASP A OD2 1
976
+ ATOM 621 N N . ILE A 1 75 ? 1.145 20.681 20.871 1.00 14.44 ? 75 ILE A N 1
977
+ ATOM 622 C CA . ILE A 1 75 ? 1.278 19.994 22.154 1.00 13.11 ? 75 ILE A CA 1
978
+ ATOM 623 C C . ILE A 1 75 ? 2.725 19.943 22.639 1.00 12.57 ? 75 ILE A C 1
979
+ ATOM 624 O O . ILE A 1 75 ? 3.041 19.223 23.585 1.00 11.10 ? 75 ILE A O 1
980
+ ATOM 625 C CB . ILE A 1 75 ? 0.732 18.547 22.113 1.00 14.72 ? 75 ILE A CB 1
981
+ ATOM 626 C CG1 . ILE A 1 75 ? 1.486 17.729 21.066 1.00 15.60 ? 75 ILE A CG1 1
982
+ ATOM 627 C CG2 . ILE A 1 75 ? -0.767 18.566 21.847 1.00 15.53 ? 75 ILE A CG2 1
983
+ ATOM 628 C CD1 . ILE A 1 75 ? 1.230 16.244 21.162 1.00 14.39 ? 75 ILE A CD1 1
984
+ ATOM 629 N N . GLY A 1 76 ? 3.603 20.690 21.978 1.00 11.21 ? 76 GLY A N 1
985
+ ATOM 630 C CA . GLY A 1 76 ? 4.990 20.740 22.401 1.00 11.64 ? 76 GLY A CA 1
986
+ ATOM 631 C C . GLY A 1 76 ? 6.045 20.030 21.580 1.00 10.55 ? 76 GLY A C 1
987
+ ATOM 632 O O . GLY A 1 76 ? 7.208 19.997 21.982 1.00 10.38 ? 76 GLY A O 1
988
+ ATOM 633 N N . MET A 1 77 ? 5.672 19.458 20.441 1.00 10.35 ? 77 MET A N 1
989
+ ATOM 634 C CA . MET A 1 77 ? 6.661 18.760 19.636 1.00 11.20 ? 77 MET A CA 1
990
+ ATOM 635 C C . MET A 1 77 ? 7.473 19.716 18.779 1.00 10.34 ? 77 MET A C 1
991
+ ATOM 636 O O . MET A 1 77 ? 6.959 20.727 18.294 1.00 11.77 ? 77 MET A O 1
992
+ ATOM 637 C CB . MET A 1 77 ? 6.003 17.717 18.714 1.00 11.92 ? 77 MET A CB 1
993
+ ATOM 638 C CG . MET A 1 77 ? 5.313 16.553 19.418 1.00 8.65 ? 77 MET A CG 1
994
+ ATOM 639 S SD . MET A 1 77 ? 4.926 15.165 18.274 1.00 1.79 ? 77 MET A SD 1
995
+ ATOM 640 C CE . MET A 1 77 ? 6.432 14.198 18.482 1.00 10.13 ? 77 MET A CE 1
996
+ ATOM 641 N N . SER A 1 78 ? 8.753 19.402 18.625 1.00 7.83 ? 78 SER A N 1
997
+ ATOM 642 C CA . SER A 1 78 ? 9.629 20.180 17.765 1.00 7.06 ? 78 SER A CA 1
998
+ ATOM 643 C C . SER A 1 78 ? 9.459 19.505 16.414 1.00 8.52 ? 78 SER A C 1
999
+ ATOM 644 O O . SER A 1 78 ? 9.076 18.335 16.349 1.00 5.57 ? 78 SER A O 1
1000
+ ATOM 645 C CB . SER A 1 78 ? 11.083 20.085 18.225 1.00 9.66 ? 78 SER A CB 1
1001
+ ATOM 646 O OG . SER A 1 78 ? 11.303 20.890 19.368 1.00 7.55 ? 78 SER A OG 1
1002
+ ATOM 647 N N . CYS A 1 79 ? 9.730 20.230 15.336 1.00 7.74 ? 79 CYS A N 1
1003
+ ATOM 648 C CA . CYS A 1 79 ? 9.552 19.663 14.005 1.00 9.54 ? 79 CYS A CA 1
1004
+ ATOM 649 C C . CYS A 1 79 ? 10.612 20.130 13.024 1.00 10.01 ? 79 CYS A C 1
1005
+ ATOM 650 O O . CYS A 1 79 ? 10.990 21.298 13.012 1.00 11.23 ? 79 CYS A O 1
1006
+ ATOM 651 C CB . CYS A 1 79 ? 8.165 20.046 13.472 1.00 9.84 ? 79 CYS A CB 1
1007
+ ATOM 652 S SG . CYS A 1 79 ? 7.806 19.566 11.751 1.00 14.31 ? 79 CYS A SG 1
1008
+ ATOM 653 N N . LYS A 1 80 ? 11.113 19.202 12.220 1.00 8.55 ? 80 LYS A N 1
1009
+ ATOM 654 C CA . LYS A 1 80 ? 12.092 19.538 11.199 1.00 10.39 ? 80 LYS A CA 1
1010
+ ATOM 655 C C . LYS A 1 80 ? 11.637 18.872 9.914 1.00 10.28 ? 80 LYS A C 1
1011
+ ATOM 656 O O . LYS A 1 80 ? 11.402 17.666 9.887 1.00 10.66 ? 80 LYS A O 1
1012
+ ATOM 657 C CB . LYS A 1 80 ? 13.489 19.031 11.568 1.00 13.26 ? 80 LYS A CB 1
1013
+ ATOM 658 C CG . LYS A 1 80 ? 14.529 19.306 10.484 1.00 17.72 ? 80 LYS A CG 1
1014
+ ATOM 659 C CD . LYS A 1 80 ? 15.914 18.811 10.876 1.00 21.03 ? 80 LYS A CD 1
1015
+ ATOM 660 C CE . LYS A 1 80 ? 16.941 19.163 9.804 1.00 24.17 ? 80 LYS A CE 1
1016
+ ATOM 661 N NZ . LYS A 1 80 ? 18.304 18.679 10.159 1.00 26.30 ? 80 LYS A NZ 1
1017
+ ATOM 662 N N . ILE A 1 81 ? 11.485 19.661 8.856 1.00 9.69 ? 81 ILE A N 1
1018
+ ATOM 663 C CA . ILE A 1 81 ? 11.077 19.115 7.569 1.00 10.84 ? 81 ILE A CA 1
1019
+ ATOM 664 C C . ILE A 1 81 ? 12.310 19.122 6.680 1.00 12.06 ? 81 ILE A C 1
1020
+ ATOM 665 O O . ILE A 1 81 ? 12.901 20.175 6.434 1.00 12.84 ? 81 ILE A O 1
1021
+ ATOM 666 C CB . ILE A 1 81 ? 9.964 19.958 6.917 1.00 11.08 ? 81 ILE A CB 1
1022
+ ATOM 667 C CG1 . ILE A 1 81 ? 8.735 19.984 7.830 1.00 14.43 ? 81 ILE A CG1 1
1023
+ ATOM 668 C CG2 . ILE A 1 81 ? 9.596 19.364 5.560 1.00 12.84 ? 81 ILE A CG2 1
1024
+ ATOM 669 C CD1 . ILE A 1 81 ? 7.578 20.796 7.303 1.00 16.15 ? 81 ILE A CD1 1
1025
+ ATOM 670 N N . ALA A 1 82 ? 12.706 17.942 6.218 1.00 13.18 ? 82 ALA A N 1
1026
+ ATOM 671 C CA . ALA A 1 82 ? 13.885 17.801 5.369 1.00 14.61 ? 82 ALA A CA 1
1027
+ ATOM 672 C C . ALA A 1 82 ? 13.601 18.157 3.916 1.00 15.19 ? 82 ALA A C 1
1028
+ ATOM 673 O O . ALA A 1 82 ? 12.446 18.262 3.503 1.00 14.49 ? 82 ALA A O 1
1029
+ ATOM 674 C CB . ALA A 1 82 ? 14.421 16.382 5.458 1.00 15.09 ? 82 ALA A CB 1
1030
+ ATOM 675 N N . LYS A 1 83 ? 14.669 18.342 3.146 1.00 17.27 ? 83 LYS A N 1
1031
+ ATOM 676 C CA . LYS A 1 83 ? 14.543 18.685 1.737 1.00 19.10 ? 83 LYS A CA 1
1032
+ ATOM 677 C C . LYS A 1 83 ? 13.788 17.614 0.955 1.00 17.34 ? 83 LYS A C 1
1033
+ ATOM 678 O O . LYS A 1 83 ? 13.049 17.924 0.019 1.00 18.00 ? 83 LYS A O 1
1034
+ ATOM 679 C CB . LYS A 1 83 ? 15.930 18.897 1.123 1.00 22.03 ? 83 LYS A CB 1
1035
+ ATOM 680 C CG . LYS A 1 83 ? 16.631 20.182 1.560 1.00 25.54 ? 83 LYS A CG 1
1036
+ ATOM 681 C CD . LYS A 1 83 ? 15.979 21.426 0.956 1.00 27.64 ? 83 LYS A CD 1
1037
+ ATOM 682 C CE . LYS A 1 83 ? 14.734 21.866 1.718 1.00 28.94 ? 83 LYS A CE 1
1038
+ ATOM 683 N NZ . LYS A 1 83 ? 15.063 22.371 3.083 1.00 30.31 ? 83 LYS A NZ 1
1039
+ ATOM 684 N N . ASN A 1 84 ? 13.959 16.356 1.347 1.00 16.88 ? 84 ASN A N 1
1040
+ ATOM 685 C CA . ASN A 1 84 ? 13.286 15.259 0.656 1.00 14.66 ? 84 ASN A CA 1
1041
+ ATOM 686 C C . ASN A 1 84 ? 11.827 15.083 1.069 1.00 15.02 ? 84 ASN A C 1
1042
+ ATOM 687 O O . ASN A 1 84 ? 11.136 14.197 0.563 1.00 14.29 ? 84 ASN A O 1
1043
+ ATOM 688 C CB . ASN A 1 84 ? 14.044 13.946 0.874 1.00 14.68 ? 84 ASN A CB 1
1044
+ ATOM 689 C CG . ASN A 1 84 ? 14.308 13.659 2.336 1.00 12.34 ? 84 ASN A CG 1
1045
+ ATOM 690 O OD1 . ASN A 1 84 ? 13.493 13.976 3.199 1.00 13.00 ? 84 ASN A OD1 1
1046
+ ATOM 691 N ND2 . ASN A 1 84 ? 15.446 13.041 2.621 1.00 12.43 ? 84 ASN A ND2 1
1047
+ ATOM 692 N N . GLY A 1 85 ? 11.357 15.917 1.990 1.00 11.96 ? 85 GLY A N 1
1048
+ ATOM 693 C CA . GLY A 1 85 ? 9.974 15.816 2.422 1.00 10.59 ? 85 GLY A CA 1
1049
+ ATOM 694 C C . GLY A 1 85 ? 9.761 15.016 3.695 1.00 9.00 ? 85 GLY A C 1
1050
+ ATOM 695 O O . GLY A 1 85 ? 8.646 14.970 4.217 1.00 8.11 ? 85 GLY A O 1
1051
+ ATOM 696 N N . ASN A 1 86 ? 10.811 14.371 4.189 1.00 8.31 ? 86 ASN A N 1
1052
+ ATOM 697 C CA . ASN A 1 86 ? 10.704 13.598 5.424 1.00 6.21 ? 86 ASN A CA 1
1053
+ ATOM 698 C C . ASN A 1 86 ? 10.457 14.563 6.566 1.00 7.58 ? 86 ASN A C 1
1054
+ ATOM 699 O O . ASN A 1 86 ? 11.001 15.666 6.584 1.00 5.72 ? 86 ASN A O 1
1055
+ ATOM 700 C CB . ASN A 1 86 ? 11.991 12.812 5.688 1.00 6.45 ? 86 ASN A CB 1
1056
+ ATOM 701 C CG . ASN A 1 86 ? 12.116 11.586 4.803 1.00 7.36 ? 86 ASN A CG 1
1057
+ ATOM 702 O OD1 . ASN A 1 86 ? 13.197 11.004 4.669 1.00 9.15 ? 86 ASN A OD1 1
1058
+ ATOM 703 N ND2 . ASN A 1 86 ? 11.004 11.180 4.203 1.00 3.48 ? 86 ASN A ND2 1
1059
+ ATOM 704 N N . VAL A 1 87 ? 9.637 14.145 7.522 1.00 5.91 ? 87 VAL A N 1
1060
+ ATOM 705 C CA . VAL A 1 87 ? 9.319 15.002 8.656 1.00 7.89 ? 87 VAL A CA 1
1061
+ ATOM 706 C C . VAL A 1 87 ? 9.759 14.323 9.940 1.00 6.48 ? 87 VAL A C 1
1062
+ ATOM 707 O O . VAL A 1 87 ? 9.525 13.135 10.127 1.00 6.89 ? 87 VAL A O 1
1063
+ ATOM 708 C CB . VAL A 1 87 ? 7.805 15.278 8.731 1.00 9.02 ? 87 VAL A CB 1
1064
+ ATOM 709 C CG1 . VAL A 1 87 ? 7.507 16.231 9.875 1.00 12.76 ? 87 VAL A CG1 1
1065
+ ATOM 710 C CG2 . VAL A 1 87 ? 7.317 15.861 7.411 1.00 10.18 ? 87 VAL A CG2 1
1066
+ ATOM 711 N N . TYR A 1 88 ? 10.418 15.079 10.812 1.00 5.18 ? 88 TYR A N 1
1067
+ ATOM 712 C CA . TYR A 1 88 ? 10.867 14.543 12.087 1.00 7.17 ? 88 TYR A CA 1
1068
+ ATOM 713 C C . TYR A 1 88 ? 10.257 15.368 13.208 1.00 6.00 ? 88 TYR A C 1
1069
+ ATOM 714 O O . TYR A 1 88 ? 10.533 16.560 13.335 1.00 6.70 ? 88 TYR A O 1
1070
+ ATOM 715 C CB . TYR A 1 88 ? 12.395 14.578 12.183 1.00 8.43 ? 88 TYR A CB 1
1071
+ ATOM 716 C CG . TYR A 1 88 ? 13.061 13.822 11.063 1.00 14.16 ? 88 TYR A CG 1
1072
+ ATOM 717 C CD1 . TYR A 1 88 ? 13.207 14.397 9.802 1.00 15.90 ? 88 TYR A CD1 1
1073
+ ATOM 718 C CD2 . TYR A 1 88 ? 13.489 12.509 11.245 1.00 17.28 ? 88 TYR A CD2 1
1074
+ ATOM 719 C CE1 . TYR A 1 88 ? 13.758 13.681 8.744 1.00 18.35 ? 88 TYR A CE1 1
1075
+ ATOM 720 C CE2 . TYR A 1 88 ? 14.042 11.782 10.192 1.00 19.40 ? 88 TYR A CE2 1
1076
+ ATOM 721 C CZ . TYR A 1 88 ? 14.170 12.374 8.947 1.00 19.78 ? 88 TYR A CZ 1
1077
+ ATOM 722 O OH . TYR A 1 88 ? 14.690 11.655 7.895 1.00 22.15 ? 88 TYR A OH 1
1078
+ ATOM 723 N N . LEU A 1 89 ? 9.407 14.728 14.002 1.00 4.65 ? 89 LEU A N 1
1079
+ ATOM 724 C CA . LEU A 1 89 ? 8.751 15.385 15.130 1.00 3.95 ? 89 LEU A CA 1
1080
+ ATOM 725 C C . LEU A 1 89 ? 9.351 14.796 16.400 1.00 4.48 ? 89 LEU A C 1
1081
+ ATOM 726 O O . LEU A 1 89 ? 9.410 13.575 16.550 1.00 5.45 ? 89 LEU A O 1
1082
+ ATOM 727 C CB . LEU A 1 89 ? 7.245 15.120 15.080 1.00 5.52 ? 89 LEU A CB 1
1083
+ ATOM 728 C CG . LEU A 1 89 ? 6.537 15.627 13.820 1.00 6.83 ? 89 LEU A CG 1
1084
+ ATOM 729 C CD1 . LEU A 1 89 ? 5.130 15.047 13.724 1.00 10.19 ? 89 LEU A CD1 1
1085
+ ATOM 730 C CD2 . LEU A 1 89 ? 6.486 17.143 13.858 1.00 11.04 ? 89 LEU A CD2 1
1086
+ ATOM 731 N N . ASP A 1 90 ? 9.812 15.664 17.298 1.00 4.40 ? 90 ASP A N 1
1087
+ ATOM 732 C CA . ASP A 1 90 ? 10.434 15.235 18.551 1.00 6.05 ? 90 ASP A CA 1
1088
+ ATOM 733 C C . ASP A 1 90 ? 9.835 15.911 19.776 1.00 4.82 ? 90 ASP A C 1
1089
+ ATOM 734 O O . ASP A 1 90 ? 9.366 17.041 19.705 1.00 5.72 ? 90 ASP A O 1
1090
+ ATOM 735 C CB . ASP A 1 90 ? 11.929 15.571 18.547 1.00 5.95 ? 90 ASP A CB 1
1091
+ ATOM 736 C CG . ASP A 1 90 ? 12.708 14.804 17.506 1.00 10.02 ? 90 ASP A CG 1
1092
+ ATOM 737 O OD1 . ASP A 1 90 ? 12.703 13.558 17.559 1.00 11.05 ? 90 ASP A OD1 1
1093
+ ATOM 738 O OD2 . ASP A 1 90 ? 13.339 15.450 16.642 1.00 11.90 ? 90 ASP A OD2 1
1094
+ ATOM 739 N N . ILE A 1 91 ? 9.871 15.209 20.904 1.00 4.00 ? 91 ILE A N 1
1095
+ ATOM 740 C CA . ILE A 1 91 ? 9.393 15.743 22.176 1.00 5.10 ? 91 ILE A CA 1
1096
+ ATOM 741 C C . ILE A 1 91 ? 10.039 14.909 23.281 1.00 4.82 ? 91 ILE A C 1
1097
+ ATOM 742 O O . ILE A 1 91 ? 10.356 13.743 23.080 1.00 4.31 ? 91 ILE A O 1
1098
+ ATOM 743 C CB . ILE A 1 91 ? 7.852 15.686 22.285 1.00 5.00 ? 91 ILE A CB 1
1099
+ ATOM 744 C CG1 . ILE A 1 91 ? 7.376 16.610 23.409 1.00 6.38 ? 91 ILE A CG1 1
1100
+ ATOM 745 C CG2 . ILE A 1 91 ? 7.395 14.253 22.525 1.00 5.27 ? 91 ILE A CG2 1
1101
+ ATOM 746 C CD1 . ILE A 1 91 ? 5.859 16.743 23.491 1.00 7.49 ? 91 ILE A CD1 1
1102
+ ATOM 747 N N . LYS A 1 92 ? 10.268 15.500 24.448 1.00 6.55 ? 92 LYS A N 1
1103
+ ATOM 748 C CA . LYS A 1 92 ? 10.889 14.727 25.513 1.00 7.19 ? 92 LYS A CA 1
1104
+ ATOM 749 C C . LYS A 1 92 ? 9.965 13.619 26.002 1.00 7.48 ? 92 LYS A C 1
1105
+ ATOM 750 O O . LYS A 1 92 ? 8.751 13.804 26.118 1.00 6.24 ? 92 LYS A O 1
1106
+ ATOM 751 C CB . LYS A 1 92 ? 11.287 15.640 26.678 1.00 8.98 ? 92 LYS A CB 1
1107
+ ATOM 752 C CG . LYS A 1 92 ? 12.383 16.630 26.324 1.00 12.94 ? 92 LYS A CG 1
1108
+ ATOM 753 C CD . LYS A 1 92 ? 13.634 15.908 25.842 1.00 16.49 ? 92 LYS A CD 1
1109
+ ATOM 754 C CE . LYS A 1 92 ? 14.641 16.880 25.243 1.00 17.94 ? 92 LYS A CE 1
1110
+ ATOM 755 N NZ . LYS A 1 92 ? 15.805 16.161 24.653 1.00 22.26 ? 92 LYS A NZ 1
1111
+ ATOM 756 N N . ARG A 1 93 ? 10.547 12.458 26.277 1.00 7.49 ? 93 ARG A N 1
1112
+ ATOM 757 C CA . ARG A 1 93 ? 9.775 11.322 26.759 1.00 9.67 ? 93 ARG A CA 1
1113
+ ATOM 758 C C . ARG A 1 93 ? 9.241 11.574 28.165 1.00 9.06 ? 93 ARG A C 1
1114
+ ATOM 759 O O . ARG A 1 93 ? 9.944 12.111 29.019 1.00 9.36 ? 93 ARG A O 1
1115
+ ATOM 760 C CB . ARG A 1 93 ? 10.648 10.061 26.775 1.00 11.94 ? 93 ARG A CB 1
1116
+ ATOM 761 C CG . ARG A 1 93 ? 10.923 9.447 25.410 1.00 14.98 ? 93 ARG A CG 1
1117
+ ATOM 762 C CD . ARG A 1 93 ? 12.233 8.671 25.434 1.00 16.02 ? 93 ARG A CD 1
1118
+ ATOM 763 N NE . ARG A 1 93 ? 12.352 7.858 26.641 1.00 16.04 ? 93 ARG A NE 1
1119
+ ATOM 764 C CZ . ARG A 1 93 ? 13.495 7.355 27.096 1.00 17.81 ? 93 ARG A CZ 1
1120
+ ATOM 765 N NH1 . ARG A 1 93 ? 14.629 7.575 26.445 1.00 16.92 ? 93 ARG A NH1 1
1121
+ ATOM 766 N NH2 . ARG A 1 93 ? 13.506 6.644 28.215 1.00 17.64 ? 93 ARG A NH2 1
1122
+ ATOM 767 N N . SER A 1 94 ? 7.985 11.192 28.377 1.00 9.31 ? 94 SER A N 1
1123
+ ATOM 768 C CA . SER A 1 94 ? 7.302 11.287 29.665 1.00 8.81 ? 94 SER A CA 1
1124
+ ATOM 769 C C . SER A 1 94 ? 5.956 10.604 29.439 1.00 9.01 ? 94 SER A C 1
1125
+ ATOM 770 O O . SER A 1 94 ? 5.477 10.530 28.308 1.00 8.69 ? 94 SER A O 1
1126
+ ATOM 771 C CB . SER A 1 94 ? 7.093 12.745 30.099 1.00 8.61 ? 94 SER A CB 1
1127
+ ATOM 772 O OG . SER A 1 94 ? 6.027 13.360 29.398 1.00 9.99 ? 94 SER A OG 1
1128
+ ATOM 773 N N . ALA A 1 95 ? 5.356 10.074 30.499 1.00 8.62 ? 95 ALA A N 1
1129
+ ATOM 774 C CA . ALA A 1 95 ? 4.068 9.407 30.354 1.00 9.63 ? 95 ALA A CA 1
1130
+ ATOM 775 C C . ALA A 1 95 ? 3.055 10.376 29.757 1.00 11.03 ? 95 ALA A C 1
1131
+ ATOM 776 O O . ALA A 1 95 ? 2.260 10.010 28.889 1.00 9.93 ? 95 ALA A O 1
1132
+ ATOM 777 C CB . ALA A 1 95 ? 3.580 8.910 31.708 1.00 9.56 ? 95 ALA A CB 1
1133
+ ATOM 778 N N . GLU A 1 96 ? 3.099 11.619 30.223 1.00 12.01 ? 96 GLU A N 1
1134
+ ATOM 779 C CA . GLU A 1 96 ? 2.182 12.646 29.755 1.00 12.16 ? 96 GLU A CA 1
1135
+ ATOM 780 C C . GLU A 1 96 ? 2.356 12.957 28.276 1.00 11.46 ? 96 GLU A C 1
1136
+ ATOM 781 O O . GLU A 1 96 ? 1.377 13.070 27.541 1.00 12.00 ? 96 GLU A O 1
1137
+ ATOM 782 C CB . GLU A 1 96 ? 2.369 13.939 30.552 1.00 15.05 ? 96 GLU A CB 1
1138
+ ATOM 783 C CG . GLU A 1 96 ? 2.327 13.788 32.064 1.00 21.53 ? 96 GLU A CG 1
1139
+ ATOM 784 C CD . GLU A 1 96 ? 3.691 13.475 32.661 1.00 24.87 ? 96 GLU A CD 1
1140
+ ATOM 785 O OE1 . GLU A 1 96 ? 4.151 12.319 32.544 1.00 26.21 ? 96 GLU A OE1 1
1141
+ ATOM 786 O OE2 . GLU A 1 96 ? 4.308 14.397 33.241 1.00 27.66 ? 96 GLU A OE2 1
1142
+ ATOM 787 N N . ASN A 1 97 ? 3.600 13.098 27.835 1.00 8.60 ? 97 ASN A N 1
1143
+ ATOM 788 C CA . ASN A 1 97 ? 3.836 13.414 26.434 1.00 9.12 ? 97 ASN A CA 1
1144
+ ATOM 789 C C . ASN A 1 97 ? 3.534 12.255 25.502 1.00 8.14 ? 97 ASN A C 1
1145
+ ATOM 790 O O . ASN A 1 97 ? 3.002 12.460 24.414 1.00 6.73 ? 97 ASN A O 1
1146
+ ATOM 791 C CB . ASN A 1 97 ? 5.271 13.900 26.221 1.00 8.86 ? 97 ASN A CB 1
1147
+ ATOM 792 C CG . ASN A 1 97 ? 5.481 15.306 26.738 1.00 9.78 ? 97 ASN A CG 1
1148
+ ATOM 793 O OD1 . ASN A 1 97 ? 4.525 16.078 26.852 1.00 9.96 ? 97 ASN A OD1 1
1149
+ ATOM 794 N ND2 . ASN A 1 97 ? 6.727 15.655 27.041 1.00 9.68 ? 97 ASN A ND2 1
1150
+ ATOM 795 N N . ILE A 1 98 ? 3.860 11.038 25.924 1.00 7.77 ? 98 ILE A N 1
1151
+ ATOM 796 C CA . ILE A 1 98 ? 3.597 9.876 25.086 1.00 7.17 ? 98 ILE A CA 1
1152
+ ATOM 797 C C . ILE A 1 98 ? 2.099 9.767 24.855 1.00 8.94 ? 98 ILE A C 1
1153
+ ATOM 798 O O . ILE A 1 98 ? 1.649 9.537 23.730 1.00 7.64 ? 98 ILE A O 1
1154
+ ATOM 799 C CB . ILE A 1 98 ? 4.141 8.592 25.736 1.00 8.54 ? 98 ILE A CB 1
1155
+ ATOM 800 C CG1 . ILE A 1 98 ? 5.669 8.670 25.773 1.00 8.99 ? 98 ILE A CG1 1
1156
+ ATOM 801 C CG2 . ILE A 1 98 ? 3.678 7.360 24.960 1.00 8.12 ? 98 ILE A CG2 1
1157
+ ATOM 802 C CD1 . ILE A 1 98 ? 6.347 7.541 26.537 1.00 11.02 ? 98 ILE A CD1 1
1158
+ ATOM 803 N N . GLU A 1 99 ? 1.334 9.973 25.923 1.00 8.83 ? 99 GLU A N 1
1159
+ ATOM 804 C CA . GLU A 1 99 ? -0.121 9.912 25.862 1.00 10.64 ? 99 GLU A CA 1
1160
+ ATOM 805 C C . GLU A 1 99 ? -0.672 10.992 24.934 1.00 8.23 ? 99 GLU A C 1
1161
+ ATOM 806 O O . GLU A 1 99 ? -1.519 10.724 24.080 1.00 8.64 ? 99 GLU A O 1
1162
+ ATOM 807 C CB . GLU A 1 99 ? -0.713 10.102 27.260 1.00 11.08 ? 99 GLU A CB 1
1163
+ ATOM 808 C CG . GLU A 1 99 ? -2.221 9.936 27.310 1.00 19.77 ? 99 GLU A CG 1
1164
+ ATOM 809 C CD . GLU A 1 99 ? -2.646 8.497 27.527 1.00 19.11 ? 99 GLU A CD 1
1165
+ ATOM 810 O OE1 . GLU A 1 99 ? -3.781 8.147 27.142 1.00 25.79 ? 99 GLU A OE1 1
1166
+ ATOM 811 O OE2 . GLU A 1 99 ? -1.856 7.719 28.101 1.00 25.18 ? 99 GLU A OE2 1
1167
+ ATOM 812 N N . ALA A 1 100 ? -0.189 12.216 25.114 1.00 8.66 ? 100 ALA A N 1
1168
+ ATOM 813 C CA . ALA A 1 100 ? -0.633 13.348 24.309 1.00 8.03 ? 100 ALA A CA 1
1169
+ ATOM 814 C C . ALA A 1 100 ? -0.317 13.159 22.827 1.00 8.08 ? 100 ALA A C 1
1170
+ ATOM 815 O O . ALA A 1 100 ? -1.151 13.439 21.963 1.00 9.79 ? 100 ALA A O 1
1171
+ ATOM 816 C CB . ALA A 1 100 ? 0.015 14.634 24.822 1.00 7.12 ? 100 ALA A CB 1
1172
+ ATOM 817 N N . VAL A 1 101 ? 0.884 12.675 22.533 1.00 7.37 ? 101 VAL A N 1
1173
+ ATOM 818 C CA . VAL A 1 101 ? 1.302 12.471 21.150 1.00 7.08 ? 101 VAL A CA 1
1174
+ ATOM 819 C C . VAL A 1 101 ? 0.449 11.455 20.403 1.00 6.03 ? 101 VAL A C 1
1175
+ ATOM 820 O O . VAL A 1 101 ? 0.016 11.702 19.279 1.00 6.38 ? 101 VAL A O 1
1176
+ ATOM 821 C CB . VAL A 1 101 ? 2.773 12.012 21.080 1.00 8.68 ? 101 VAL A CB 1
1177
+ ATOM 822 C CG1 . VAL A 1 101 ? 3.125 11.577 19.657 1.00 7.53 ? 101 VAL A CG1 1
1178
+ ATOM 823 C CG2 . VAL A 1 101 ? 3.688 13.143 21.527 1.00 9.28 ? 101 VAL A CG2 1
1179
+ ATOM 824 N N . ILE A 1 102 ? 0.219 10.307 21.026 1.00 7.68 ? 102 ILE A N 1
1180
+ ATOM 825 C CA . ILE A 1 102 ? -0.572 9.255 20.403 1.00 7.92 ? 102 ILE A CA 1
1181
+ ATOM 826 C C . ILE A 1 102 ? -2.024 9.695 20.250 1.00 8.26 ? 102 ILE A C 1
1182
+ ATOM 827 O O . ILE A 1 102 ? -2.683 9.371 19.263 1.00 8.15 ? 102 ILE A O 1
1183
+ ATOM 828 C CB . ILE A 1 102 ? -0.489 7.954 21.223 1.00 7.27 ? 102 ILE A CB 1
1184
+ ATOM 829 C CG1 . ILE A 1 102 ? 0.967 7.482 21.280 1.00 10.37 ? 102 ILE A CG1 1
1185
+ ATOM 830 C CG2 . ILE A 1 102 ? -1.368 6.878 20.602 1.00 6.61 ? 102 ILE A CG2 1
1186
+ ATOM 831 C CD1 . ILE A 1 102 ? 1.601 7.262 19.921 1.00 12.81 ? 102 ILE A CD1 1
1187
+ ATOM 832 N N . THR A 1 103 ? -2.517 10.441 21.229 1.00 7.93 ? 103 THR A N 1
1188
+ ATOM 833 C CA . THR A 1 103 ? -3.882 10.941 21.173 1.00 9.03 ? 103 THR A CA 1
1189
+ ATOM 834 C C . THR A 1 103 ? -4.052 11.819 19.936 1.00 8.72 ? 103 THR A C 1
1190
+ ATOM 835 O O . THR A 1 103 ? -5.036 11.694 19.216 1.00 8.54 ? 103 THR A O 1
1191
+ ATOM 836 C CB . THR A 1 103 ? -4.230 11.762 22.428 1.00 9.72 ? 103 THR A CB 1
1192
+ ATOM 837 O OG1 . THR A 1 103 ? -4.325 10.882 23.552 1.00 14.58 ? 103 THR A OG1 1
1193
+ ATOM 838 C CG2 . THR A 1 103 ? -5.559 12.485 22.245 1.00 13.69 ? 103 THR A CG2 1
1194
+ ATOM 839 N N . VAL A 1 104 ? -3.087 12.701 19.693 1.00 7.36 ? 104 VAL A N 1
1195
+ ATOM 840 C CA . VAL A 1 104 ? -3.153 13.583 18.532 1.00 8.08 ? 104 VAL A CA 1
1196
+ ATOM 841 C C . VAL A 1 104 ? -3.069 12.771 17.238 1.00 7.63 ? 104 VAL A C 1
1197
+ ATOM 842 O O . VAL A 1 104 ? -3.848 12.984 16.310 1.00 7.35 ? 104 VAL A O 1
1198
+ ATOM 843 C CB . VAL A 1 104 ? -2.011 14.638 18.559 1.00 8.23 ? 104 VAL A CB 1
1199
+ ATOM 844 C CG1 . VAL A 1 104 ? -1.916 15.354 17.215 1.00 7.25 ? 104 VAL A CG1 1
1200
+ ATOM 845 C CG2 . VAL A 1 104 ? -2.270 15.656 19.669 1.00 10.22 ? 104 VAL A CG2 1
1201
+ ATOM 846 N N . ALA A 1 105 ? -2.130 11.832 17.181 1.00 6.47 ? 105 ALA A N 1
1202
+ ATOM 847 C CA . ALA A 1 105 ? -1.970 11.011 15.988 1.00 7.51 ? 105 ALA A CA 1
1203
+ ATOM 848 C C . ALA A 1 105 ? -3.255 10.249 15.667 1.00 9.28 ? 105 ALA A C 1
1204
+ ATOM 849 O O . ALA A 1 105 ? -3.577 10.025 14.500 1.00 9.19 ? 105 ALA A O 1
1205
+ ATOM 850 C CB . ALA A 1 105 ? -0.815 10.033 16.176 1.00 5.38 ? 105 ALA A CB 1
1206
+ ATOM 851 N N . SER A 1 106 ? -3.988 9.865 16.710 1.00 11.45 ? 106 SER A N 1
1207
+ ATOM 852 C CA . SER A 1 106 ? -5.230 9.112 16.549 1.00 14.65 ? 106 SER A CA 1
1208
+ ATOM 853 C C . SER A 1 106 ? -6.425 9.944 16.087 1.00 17.52 ? 106 SER A C 1
1209
+ ATOM 854 O O . SER A 1 106 ? -7.372 9.406 15.512 1.00 17.72 ? 106 SER A O 1
1210
+ ATOM 855 C CB . SER A 1 106 ? -5.590 8.419 17.863 1.00 13.88 ? 106 SER A CB 1
1211
+ ATOM 856 O OG . SER A 1 106 ? -4.562 7.533 18.266 1.00 16.05 ? 106 SER A OG 1
1212
+ ATOM 857 N N . GLU A 1 107 ? -6.382 11.247 16.343 1.00 19.53 ? 107 GLU A N 1
1213
+ ATOM 858 C CA . GLU A 1 107 ? -7.475 12.137 15.959 1.00 23.32 ? 107 GLU A CA 1
1214
+ ATOM 859 C C . GLU A 1 107 ? -7.240 12.845 14.627 1.00 24.41 ? 107 GLU A C 1
1215
+ ATOM 860 O O . GLU A 1 107 ? -8.041 13.689 14.217 1.00 25.18 ? 107 GLU A O 1
1216
+ ATOM 861 C CB . GLU A 1 107 ? -7.709 13.180 17.055 1.00 25.15 ? 107 GLU A CB 1
1217
+ ATOM 862 C CG . GLU A 1 107 ? -6.478 14.002 17.399 1.00 28.89 ? 107 GLU A CG 1
1218
+ ATOM 863 C CD . GLU A 1 107 ? -6.742 15.011 18.500 1.00 30.85 ? 107 GLU A CD 1
1219
+ ATOM 864 O OE1 . GLU A 1 107 ? -7.266 14.611 19.562 1.00 31.98 ? 107 GLU A OE1 1
1220
+ ATOM 865 O OE2 . GLU A 1 107 ? -6.418 16.203 18.306 1.00 32.84 ? 107 GLU A OE2 1
1221
+ ATOM 866 N N . LEU A 1 108 ? -6.145 12.503 13.956 1.00 24.01 ? 108 LEU A N 1
1222
+ ATOM 867 C CA . LEU A 1 108 ? -5.814 13.105 12.668 1.00 25.01 ? 108 LEU A CA 1
1223
+ ATOM 868 C C . LEU A 1 108 ? -6.883 12.814 11.619 1.00 26.30 ? 108 LEU A C 1
1224
+ ATOM 869 O O . LEU A 1 108 ? -7.431 13.787 11.060 1.00 27.51 ? 108 LEU A O 1
1225
+ ATOM 870 C CB . LEU A 1 108 ? -4.458 12.588 12.176 1.00 24.35 ? 108 LEU A CB 1
1226
+ ATOM 871 C CG . LEU A 1 108 ? -3.245 13.513 12.326 1.00 24.51 ? 108 LEU A CG 1
1227
+ ATOM 872 C CD1 . LEU A 1 108 ? -3.193 14.120 13.715 1.00 23.75 ? 108 LEU A CD1 1
1228
+ ATOM 873 C CD2 . LEU A 1 108 ? -1.979 12.726 12.033 1.00 22.91 ? 108 LEU A CD2 1
1229
+ ATOM 874 O OXT . LEU A 1 108 ? -7.153 11.620 11.366 1.00 26.36 ? 108 LEU A OXT 1
1230
+ #
1231
+ loop_
1232
+ _pdbx_audit_revision_history.ordinal
1233
+ _pdbx_audit_revision_history.data_content_type
1234
+ _pdbx_audit_revision_history.major_revision
1235
+ _pdbx_audit_revision_history.minor_revision
1236
+ _pdbx_audit_revision_history.revision_date
1237
+ 1 'Structure model' 1 0 2001-11-21
1238
+ 2 'Structure model' 1 1 2008-04-27
1239
+ 3 'Structure model' 1 2 2011-07-13
1240
+ 4 'Structure model' 1 3 2022-12-21
1241
+ #
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1
+ data_1KNM_A
2
+ #
3
+ _pdbx_database_status.entry_id 1KNM_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
+ ;PPADGGQIKGVGSGRCLDVPDASTSDGTQLQLWDCHSGTNQQWAATDAGELRVYGDKCLDAAGTSNGSKVQIYSCWGGDN
22
+ QKWRLNSDGSVVGVQSGLCLDAVGNGTANGTLIQLYTCSNGSNQRWTR
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;PPADGGQIKGVGSGRCLDVPDASTSDGTQLQLWDCHSGTNQQWAATDAGELRVYGDKCLDAAGTSNGSKVQIYSCWGGDN
26
+ QKWRLNSDGSVVGVQSGLCLDAVGNGTANGTLIQLYTCSNGSNQRWTR
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 PRO n
37
+ 1 2 PRO n
38
+ 1 3 ALA n
39
+ 1 4 ASP n
40
+ 1 5 GLY n
41
+ 1 6 GLY n
42
+ 1 7 GLN n
43
+ 1 8 ILE n
44
+ 1 9 LYS n
45
+ 1 10 GLY n
46
+ 1 11 VAL n
47
+ 1 12 GLY n
48
+ 1 13 SER n
49
+ 1 14 GLY n
50
+ 1 15 ARG n
51
+ 1 16 CYS n
52
+ 1 17 LEU n
53
+ 1 18 ASP n
54
+ 1 19 VAL n
55
+ 1 20 PRO n
56
+ 1 21 ASP n
57
+ 1 22 ALA n
58
+ 1 23 SER n
59
+ 1 24 THR n
60
+ 1 25 SER n
61
+ 1 26 ASP n
62
+ 1 27 GLY n
63
+ 1 28 THR n
64
+ 1 29 GLN n
65
+ 1 30 LEU n
66
+ 1 31 GLN n
67
+ 1 32 LEU n
68
+ 1 33 TRP n
69
+ 1 34 ASP n
70
+ 1 35 CYS n
71
+ 1 36 HIS n
72
+ 1 37 SER n
73
+ 1 38 GLY n
74
+ 1 39 THR n
75
+ 1 40 ASN n
76
+ 1 41 GLN n
77
+ 1 42 GLN n
78
+ 1 43 TRP n
79
+ 1 44 ALA n
80
+ 1 45 ALA n
81
+ 1 46 THR n
82
+ 1 47 ASP n
83
+ 1 48 ALA n
84
+ 1 49 GLY n
85
+ 1 50 GLU n
86
+ 1 51 LEU n
87
+ 1 52 ARG n
88
+ 1 53 VAL n
89
+ 1 54 TYR n
90
+ 1 55 GLY n
91
+ 1 56 ASP n
92
+ 1 57 LYS n
93
+ 1 58 CYS n
94
+ 1 59 LEU n
95
+ 1 60 ASP n
96
+ 1 61 ALA n
97
+ 1 62 ALA n
98
+ 1 63 GLY n
99
+ 1 64 THR n
100
+ 1 65 SER n
101
+ 1 66 ASN n
102
+ 1 67 GLY n
103
+ 1 68 SER n
104
+ 1 69 LYS n
105
+ 1 70 VAL n
106
+ 1 71 GLN n
107
+ 1 72 ILE n
108
+ 1 73 TYR n
109
+ 1 74 SER n
110
+ 1 75 CYS n
111
+ 1 76 TRP n
112
+ 1 77 GLY n
113
+ 1 78 GLY n
114
+ 1 79 ASP n
115
+ 1 80 ASN n
116
+ 1 81 GLN n
117
+ 1 82 LYS n
118
+ 1 83 TRP n
119
+ 1 84 ARG n
120
+ 1 85 LEU n
121
+ 1 86 ASN n
122
+ 1 87 SER n
123
+ 1 88 ASP n
124
+ 1 89 GLY n
125
+ 1 90 SER n
126
+ 1 91 VAL n
127
+ 1 92 VAL n
128
+ 1 93 GLY n
129
+ 1 94 VAL n
130
+ 1 95 GLN n
131
+ 1 96 SER n
132
+ 1 97 GLY n
133
+ 1 98 LEU n
134
+ 1 99 CYS n
135
+ 1 100 LEU n
136
+ 1 101 ASP n
137
+ 1 102 ALA n
138
+ 1 103 VAL n
139
+ 1 104 GLY n
140
+ 1 105 ASN n
141
+ 1 106 GLY n
142
+ 1 107 THR n
143
+ 1 108 ALA n
144
+ 1 109 ASN n
145
+ 1 110 GLY n
146
+ 1 111 THR n
147
+ 1 112 LEU n
148
+ 1 113 ILE n
149
+ 1 114 GLN n
150
+ 1 115 LEU n
151
+ 1 116 TYR n
152
+ 1 117 THR n
153
+ 1 118 CYS n
154
+ 1 119 SER n
155
+ 1 120 ASN n
156
+ 1 121 GLY n
157
+ 1 122 SER n
158
+ 1 123 ASN n
159
+ 1 124 GLN n
160
+ 1 125 ARG n
161
+ 1 126 TRP n
162
+ 1 127 THR n
163
+ 1 128 ARG n
164
+ #
165
+ _entity.id 1
166
+ _entity.type polymer
167
+ _entity.src_method man
168
+ _entity.pdbx_description ?
169
+ _entity.formula_weight 13378.514
170
+ _entity.pdbx_number_of_molecules 1
171
+ _entity.pdbx_ec ?
172
+ _entity.pdbx_mutation ?
173
+ _entity.pdbx_fragment ?
174
+ _entity.details ?
175
+ #
176
+ loop_
177
+ _pdbx_poly_seq_scheme.asym_id
178
+ _pdbx_poly_seq_scheme.entity_id
179
+ _pdbx_poly_seq_scheme.seq_id
180
+ _pdbx_poly_seq_scheme.mon_id
181
+ _pdbx_poly_seq_scheme.ndb_seq_num
182
+ _pdbx_poly_seq_scheme.pdb_seq_num
183
+ _pdbx_poly_seq_scheme.auth_seq_num
184
+ _pdbx_poly_seq_scheme.pdb_mon_id
185
+ _pdbx_poly_seq_scheme.auth_mon_id
186
+ _pdbx_poly_seq_scheme.pdb_strand_id
187
+ _pdbx_poly_seq_scheme.pdb_ins_code
188
+ _pdbx_poly_seq_scheme.hetero
189
+ A 1 1 PRO 1 1 1 PRO PRO A . n
190
+ A 1 2 PRO 2 2 2 PRO PRO A . n
191
+ A 1 3 ALA 3 3 3 ALA ALA A . n
192
+ A 1 4 ASP 4 4 4 ASP ASP A . n
193
+ A 1 5 GLY 5 5 5 GLY GLY A . n
194
+ A 1 6 GLY 6 6 6 GLY GLY A . n
195
+ A 1 7 GLN 7 7 7 GLN GLN A . n
196
+ A 1 8 ILE 8 8 8 ILE ILE A . n
197
+ A 1 9 LYS 9 9 9 LYS LYS A . n
198
+ A 1 10 GLY 10 10 10 GLY GLY A . n
199
+ A 1 11 VAL 11 11 11 VAL VAL A . n
200
+ A 1 12 GLY 12 12 12 GLY GLY A . n
201
+ A 1 13 SER 13 13 13 SER SER A . n
202
+ A 1 14 GLY 14 14 14 GLY GLY A . n
203
+ A 1 15 ARG 15 15 15 ARG ARG A . n
204
+ A 1 16 CYS 16 16 16 CYS CYS A . n
205
+ A 1 17 LEU 17 17 17 LEU LEU A . n
206
+ A 1 18 ASP 18 18 18 ASP ASP A . n
207
+ A 1 19 VAL 19 19 19 VAL VAL A . n
208
+ A 1 20 PRO 20 20 20 PRO PRO A . n
209
+ A 1 21 ASP 21 21 21 ASP ASP A . n
210
+ A 1 22 ALA 22 22 22 ALA ALA A . n
211
+ A 1 23 SER 23 23 23 SER SER A . n
212
+ A 1 24 THR 24 24 24 THR THR A . n
213
+ A 1 25 SER 25 25 25 SER SER A . n
214
+ A 1 26 ASP 26 26 26 ASP ASP A . n
215
+ A 1 27 GLY 27 27 27 GLY GLY A . n
216
+ A 1 28 THR 28 28 28 THR THR A . n
217
+ A 1 29 GLN 29 29 29 GLN GLN A . n
218
+ A 1 30 LEU 30 30 30 LEU LEU A . n
219
+ A 1 31 GLN 31 31 31 GLN GLN A . n
220
+ A 1 32 LEU 32 32 32 LEU LEU A . n
221
+ A 1 33 TRP 33 33 33 TRP TRP A . n
222
+ A 1 34 ASP 34 34 34 ASP ASP A . n
223
+ A 1 35 CYS 35 35 35 CYS CYS A . n
224
+ A 1 36 HIS 36 36 36 HIS HIS A . n
225
+ A 1 37 SER 37 37 37 SER SER A . n
226
+ A 1 38 GLY 38 38 38 GLY GLY A . n
227
+ A 1 39 THR 39 39 39 THR THR A . n
228
+ A 1 40 ASN 40 40 40 ASN ASN A . n
229
+ A 1 41 GLN 41 41 41 GLN GLN A . n
230
+ A 1 42 GLN 42 42 42 GLN GLN A . n
231
+ A 1 43 TRP 43 43 43 TRP TRP A . n
232
+ A 1 44 ALA 44 44 44 ALA ALA A . n
233
+ A 1 45 ALA 45 45 45 ALA ALA A . n
234
+ A 1 46 THR 46 46 46 THR THR A . n
235
+ A 1 47 ASP 47 47 47 ASP ASP A . n
236
+ A 1 48 ALA 48 48 48 ALA ALA A . n
237
+ A 1 49 GLY 49 49 49 GLY GLY A . n
238
+ A 1 50 GLU 50 50 50 GLU GLU A . n
239
+ A 1 51 LEU 51 51 51 LEU LEU A . n
240
+ A 1 52 ARG 52 52 52 ARG ARG A . n
241
+ A 1 53 VAL 53 53 53 VAL VAL A . n
242
+ A 1 54 TYR 54 54 54 TYR TYR A . n
243
+ A 1 55 GLY 55 55 55 GLY GLY A . n
244
+ A 1 56 ASP 56 56 56 ASP ASP A . n
245
+ A 1 57 LYS 57 57 57 LYS LYS A . n
246
+ A 1 58 CYS 58 58 58 CYS CYS A . n
247
+ A 1 59 LEU 59 59 59 LEU LEU A . n
248
+ A 1 60 ASP 60 60 60 ASP ASP A . n
249
+ A 1 61 ALA 61 61 61 ALA ALA A . n
250
+ A 1 62 ALA 62 62 62 ALA ALA A . n
251
+ A 1 63 GLY 63 63 63 GLY GLY A . n
252
+ A 1 64 THR 64 64 64 THR THR A . n
253
+ A 1 65 SER 65 65 65 SER SER A . n
254
+ A 1 66 ASN 66 66 66 ASN ASN A . n
255
+ A 1 67 GLY 67 67 67 GLY GLY A . n
256
+ A 1 68 SER 68 68 68 SER SER A . n
257
+ A 1 69 LYS 69 69 69 LYS LYS A . n
258
+ A 1 70 VAL 70 70 70 VAL VAL A . n
259
+ A 1 71 GLN 71 71 71 GLN GLN A . n
260
+ A 1 72 ILE 72 72 72 ILE ILE A . n
261
+ A 1 73 TYR 73 73 73 TYR TYR A . n
262
+ A 1 74 SER 74 74 74 SER SER A . n
263
+ A 1 75 CYS 75 75 75 CYS CYS A . n
264
+ A 1 76 TRP 76 76 76 TRP TRP A . n
265
+ A 1 77 GLY 77 77 77 GLY GLY A . n
266
+ A 1 78 GLY 78 78 78 GLY GLY A . n
267
+ A 1 79 ASP 79 79 79 ASP ASP A . n
268
+ A 1 80 ASN 80 80 80 ASN ASN A . n
269
+ A 1 81 GLN 81 81 81 GLN GLN A . n
270
+ A 1 82 LYS 82 82 82 LYS LYS A . n
271
+ A 1 83 TRP 83 83 83 TRP TRP A . n
272
+ A 1 84 ARG 84 84 84 ARG ARG A . n
273
+ A 1 85 LEU 85 85 85 LEU LEU A . n
274
+ A 1 86 ASN 86 86 86 ASN ASN A . n
275
+ A 1 87 SER 87 87 87 SER SER A . n
276
+ A 1 88 ASP 88 88 88 ASP ASP A . n
277
+ A 1 89 GLY 89 89 89 GLY GLY A . n
278
+ A 1 90 SER 90 90 90 SER SER A . n
279
+ A 1 91 VAL 91 91 91 VAL VAL A . n
280
+ A 1 92 VAL 92 92 92 VAL VAL A . n
281
+ A 1 93 GLY 93 93 93 GLY GLY A . n
282
+ A 1 94 VAL 94 94 94 VAL VAL A . n
283
+ A 1 95 GLN 95 95 95 GLN GLN A . n
284
+ A 1 96 SER 96 96 96 SER SER A . n
285
+ A 1 97 GLY 97 97 97 GLY GLY A . n
286
+ A 1 98 LEU 98 98 98 LEU LEU A . n
287
+ A 1 99 CYS 99 99 99 CYS CYS A . n
288
+ A 1 100 LEU 100 100 100 LEU LEU A . n
289
+ A 1 101 ASP 101 101 101 ASP ASP A . n
290
+ A 1 102 ALA 102 102 102 ALA ALA A . n
291
+ A 1 103 VAL 103 103 103 VAL VAL A . n
292
+ A 1 104 GLY 104 104 104 GLY GLY A . n
293
+ A 1 105 ASN 105 105 105 ASN ASN A . n
294
+ A 1 106 GLY 106 106 106 GLY GLY A . n
295
+ A 1 107 THR 107 107 107 THR THR A . n
296
+ A 1 108 ALA 108 108 108 ALA ALA A . n
297
+ A 1 109 ASN 109 109 109 ASN ASN A . n
298
+ A 1 110 GLY 110 110 110 GLY GLY A . n
299
+ A 1 111 THR 111 111 111 THR THR A . n
300
+ A 1 112 LEU 112 112 112 LEU LEU A . n
301
+ A 1 113 ILE 113 113 113 ILE ILE A . n
302
+ A 1 114 GLN 114 114 114 GLN GLN A . n
303
+ A 1 115 LEU 115 115 115 LEU LEU A . n
304
+ A 1 116 TYR 116 116 116 TYR TYR A . n
305
+ A 1 117 THR 117 117 117 THR THR A . n
306
+ A 1 118 CYS 118 118 118 CYS CYS A . n
307
+ A 1 119 SER 119 119 119 SER SER A . n
308
+ A 1 120 ASN 120 120 120 ASN ASN A . n
309
+ A 1 121 GLY 121 121 121 GLY GLY A . n
310
+ A 1 122 SER 122 122 122 SER SER A . n
311
+ A 1 123 ASN 123 123 123 ASN ASN A . n
312
+ A 1 124 GLN 124 124 124 GLN GLN A . n
313
+ A 1 125 ARG 125 125 125 ARG ARG A . n
314
+ A 1 126 TRP 126 126 126 TRP TRP A . n
315
+ A 1 127 THR 127 127 127 THR THR A . n
316
+ A 1 128 ARG 128 128 128 ARG ARG A . n
317
+ #
318
+ loop_
319
+ _chem_comp.id
320
+ _chem_comp.type
321
+ _chem_comp.mon_nstd_flag
322
+ _chem_comp.name
323
+ _chem_comp.pdbx_synonyms
324
+ _chem_comp.formula
325
+ _chem_comp.formula_weight
326
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
327
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
328
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
329
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
330
+ CYS "L-peptide linking" y CYSTEINE ? "C3 H7 N O2 S" 121.158
331
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
332
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
333
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
334
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
335
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
336
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
337
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
338
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
339
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
340
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
341
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
342
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
343
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
344
+ #
345
+ _struct_asym.id A
346
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
347
+ _struct_asym.pdbx_modified N
348
+ _struct_asym.entity_id 1
349
+ _struct_asym.details ?
350
+ #
351
+ _atom_sites.entry_id 1KNM_A
352
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
353
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
354
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
355
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
356
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
357
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
358
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
359
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
360
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
361
+ _atom_sites.fract_transf_vector[1] 0.00000
362
+ _atom_sites.fract_transf_vector[2] 0.00000
363
+ _atom_sites.fract_transf_vector[3] 0.00000
364
+ #
365
+ loop_
366
+ _pdbx_validate_close_contact.id
367
+ _pdbx_validate_close_contact.PDB_model_num
368
+ _pdbx_validate_close_contact.auth_atom_id_1
369
+ _pdbx_validate_close_contact.auth_asym_id_1
370
+ _pdbx_validate_close_contact.auth_comp_id_1
371
+ _pdbx_validate_close_contact.auth_seq_id_1
372
+ _pdbx_validate_close_contact.PDB_ins_code_1
373
+ _pdbx_validate_close_contact.label_alt_id_1
374
+ _pdbx_validate_close_contact.auth_atom_id_2
375
+ _pdbx_validate_close_contact.auth_asym_id_2
376
+ _pdbx_validate_close_contact.auth_comp_id_2
377
+ _pdbx_validate_close_contact.auth_seq_id_2
378
+ _pdbx_validate_close_contact.PDB_ins_code_2
379
+ _pdbx_validate_close_contact.label_alt_id_2
380
+ _pdbx_validate_close_contact.dist
381
+ 1 1 SG A CYS 16 ? ? SG A CYS 35 ? ? 2.03
382
+ 2 1 SG A CYS 99 ? ? SG A CYS 118 ? ? 2.03
383
+ 3 1 SG A CYS 58 ? ? SG A CYS 75 ? ? 2.04
384
+ #
385
+ loop_
386
+ _pdbx_validate_rmsd_bond.id
387
+ _pdbx_validate_rmsd_bond.PDB_model_num
388
+ _pdbx_validate_rmsd_bond.auth_atom_id_1
389
+ _pdbx_validate_rmsd_bond.auth_asym_id_1
390
+ _pdbx_validate_rmsd_bond.auth_comp_id_1
391
+ _pdbx_validate_rmsd_bond.auth_seq_id_1
392
+ _pdbx_validate_rmsd_bond.PDB_ins_code_1
393
+ _pdbx_validate_rmsd_bond.label_alt_id_1
394
+ _pdbx_validate_rmsd_bond.auth_atom_id_2
395
+ _pdbx_validate_rmsd_bond.auth_asym_id_2
396
+ _pdbx_validate_rmsd_bond.auth_comp_id_2
397
+ _pdbx_validate_rmsd_bond.auth_seq_id_2
398
+ _pdbx_validate_rmsd_bond.PDB_ins_code_2
399
+ _pdbx_validate_rmsd_bond.label_alt_id_2
400
+ _pdbx_validate_rmsd_bond.bond_value
401
+ _pdbx_validate_rmsd_bond.bond_target_value
402
+ _pdbx_validate_rmsd_bond.bond_deviation
403
+ _pdbx_validate_rmsd_bond.bond_standard_deviation
404
+ _pdbx_validate_rmsd_bond.linker_flag
405
+ 1 1 CG A PRO 1 ? ? CD A PRO 1 ? ? 1.221 1.502 -0.281 0.033 N
406
+ 2 1 CD A ARG 84 ? ? NE A ARG 84 ? ? 1.317 1.460 -0.143 0.017 N
407
+ #
408
+ loop_
409
+ _pdbx_validate_rmsd_angle.id
410
+ _pdbx_validate_rmsd_angle.PDB_model_num
411
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
412
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
413
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
414
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
415
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
416
+ _pdbx_validate_rmsd_angle.label_alt_id_1
417
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
418
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
419
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
420
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
421
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
422
+ _pdbx_validate_rmsd_angle.label_alt_id_2
423
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
424
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
425
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
426
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
427
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
428
+ _pdbx_validate_rmsd_angle.label_alt_id_3
429
+ _pdbx_validate_rmsd_angle.angle_value
430
+ _pdbx_validate_rmsd_angle.angle_target_value
431
+ _pdbx_validate_rmsd_angle.angle_deviation
432
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
433
+ _pdbx_validate_rmsd_angle.linker_flag
434
+ 1 1 CB A ASP 4 ? ? CG A ASP 4 ? ? OD2 A ASP 4 ? ? 123.74 118.30 5.44 0.90 N
435
+ 2 1 NE A ARG 128 ? ? CZ A ARG 128 ? ? NH1 A ARG 128 ? ? 126.99 120.30 6.69 0.50 N
436
+ #
437
+ _pdbx_validate_torsion.id 1
438
+ _pdbx_validate_torsion.PDB_model_num 1
439
+ _pdbx_validate_torsion.auth_comp_id TRP
440
+ _pdbx_validate_torsion.auth_asym_id A
441
+ _pdbx_validate_torsion.auth_seq_id 76
442
+ _pdbx_validate_torsion.PDB_ins_code ?
443
+ _pdbx_validate_torsion.label_alt_id ?
444
+ _pdbx_validate_torsion.phi -141.76
445
+ _pdbx_validate_torsion.psi -1.25
446
+ #
447
+ _pdbx_validate_planes.id 1
448
+ _pdbx_validate_planes.PDB_model_num 1
449
+ _pdbx_validate_planes.auth_comp_id ASP
450
+ _pdbx_validate_planes.auth_asym_id A
451
+ _pdbx_validate_planes.auth_seq_id 56
452
+ _pdbx_validate_planes.PDB_ins_code ?
453
+ _pdbx_validate_planes.label_alt_id ?
454
+ _pdbx_validate_planes.rmsd 0.070
455
+ _pdbx_validate_planes.type "SIDE CHAIN"
456
+ #
457
+ _pdbx_unobs_or_zero_occ_atoms.id 1
458
+ _pdbx_unobs_or_zero_occ_atoms.PDB_model_num 1
459
+ _pdbx_unobs_or_zero_occ_atoms.polymer_flag Y
460
+ _pdbx_unobs_or_zero_occ_atoms.occupancy_flag 1
461
+ _pdbx_unobs_or_zero_occ_atoms.auth_asym_id A
462
+ _pdbx_unobs_or_zero_occ_atoms.auth_comp_id ILE
463
+ _pdbx_unobs_or_zero_occ_atoms.auth_seq_id 8
464
+ _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code ?
465
+ _pdbx_unobs_or_zero_occ_atoms.auth_atom_id CD1
466
+ _pdbx_unobs_or_zero_occ_atoms.label_alt_id ?
467
+ _pdbx_unobs_or_zero_occ_atoms.label_asym_id A
468
+ _pdbx_unobs_or_zero_occ_atoms.label_comp_id ILE
469
+ _pdbx_unobs_or_zero_occ_atoms.label_seq_id 8
470
+ _pdbx_unobs_or_zero_occ_atoms.label_atom_id CD1
471
+ #
472
+ loop_
473
+ _atom_type.symbol
474
+ C
475
+ N
476
+ O
477
+ S
478
+ #
479
+ _entry.id 1KNM_A
480
+ #
481
+ loop_
482
+ _atom_site.group_PDB
483
+ _atom_site.id
484
+ _atom_site.type_symbol
485
+ _atom_site.label_atom_id
486
+ _atom_site.label_alt_id
487
+ _atom_site.label_comp_id
488
+ _atom_site.label_asym_id
489
+ _atom_site.label_entity_id
490
+ _atom_site.label_seq_id
491
+ _atom_site.pdbx_PDB_ins_code
492
+ _atom_site.Cartn_x
493
+ _atom_site.Cartn_y
494
+ _atom_site.Cartn_z
495
+ _atom_site.occupancy
496
+ _atom_site.B_iso_or_equiv
497
+ _atom_site.pdbx_formal_charge
498
+ _atom_site.auth_seq_id
499
+ _atom_site.auth_comp_id
500
+ _atom_site.auth_asym_id
501
+ _atom_site.auth_atom_id
502
+ _atom_site.pdbx_PDB_model_num
503
+ ATOM 1 N N . PRO A 1 1 ? -8.374 6.674 20.443 1.00 17.63 ? 1 PRO A N 1
504
+ ATOM 2 C CA . PRO A 1 1 ? -9.459 6.405 19.446 1.00 17.51 ? 1 PRO A CA 1
505
+ ATOM 3 C C . PRO A 1 1 ? -9.080 5.308 18.449 1.00 17.33 ? 1 PRO A C 1
506
+ ATOM 4 O O . PRO A 1 1 ? -7.892 5.014 18.302 1.00 17.44 ? 1 PRO A O 1
507
+ ATOM 5 C CB . PRO A 1 1 ? -9.619 7.747 18.723 1.00 17.58 ? 1 PRO A CB 1
508
+ ATOM 6 C CG . PRO A 1 1 ? -8.257 8.308 19.239 0.00 20.02 ? 1 PRO A CG 1
509
+ ATOM 7 C CD . PRO A 1 1 ? -7.863 8.055 20.367 1.00 17.71 ? 1 PRO A CD 1
510
+ ATOM 8 N N . PRO A 1 2 ? -10.069 4.721 17.774 1.00 17.00 ? 2 PRO A N 1
511
+ ATOM 9 C CA . PRO A 1 2 ? -9.805 3.688 16.764 1.00 16.74 ? 2 PRO A CA 1
512
+ ATOM 10 C C . PRO A 1 2 ? -9.039 4.229 15.556 1.00 16.40 ? 2 PRO A C 1
513
+ ATOM 11 O O . PRO A 1 2 ? -9.069 5.432 15.289 1.00 16.29 ? 2 PRO A O 1
514
+ ATOM 12 C CB . PRO A 1 2 ? -11.209 3.210 16.358 1.00 16.78 ? 2 PRO A CB 1
515
+ ATOM 13 C CG . PRO A 1 2 ? -12.146 4.280 16.789 1.00 16.95 ? 2 PRO A CG 1
516
+ ATOM 14 C CD . PRO A 1 2 ? -11.508 4.997 17.926 1.00 17.03 ? 2 PRO A CD 1
517
+ ATOM 15 N N . ALA A 1 3 ? -8.363 3.335 14.841 1.00 16.04 ? 3 ALA A N 1
518
+ ATOM 16 C CA . ALA A 1 3 ? -7.512 3.708 13.711 1.00 15.82 ? 3 ALA A CA 1
519
+ ATOM 17 C C . ALA A 1 3 ? -8.298 4.263 12.517 1.00 15.54 ? 3 ALA A C 1
520
+ ATOM 18 O O . ALA A 1 3 ? -7.888 5.253 11.910 1.00 15.61 ? 3 ALA A O 1
521
+ ATOM 19 C CB . ALA A 1 3 ? -6.671 2.511 13.278 1.00 15.86 ? 3 ALA A CB 1
522
+ ATOM 20 N N . ASP A 1 4 ? -9.419 3.619 12.194 1.00 15.18 ? 4 ASP A N 1
523
+ ATOM 21 C CA . ASP A 1 4 ? -10.264 3.982 11.049 1.00 14.86 ? 4 ASP A CA 1
524
+ ATOM 22 C C . ASP A 1 4 ? -9.485 4.029 9.734 1.00 14.42 ? 4 ASP A C 1
525
+ ATOM 23 O O . ASP A 1 4 ? -9.605 4.983 8.961 1.00 14.54 ? 4 ASP A O 1
526
+ ATOM 24 C CB . ASP A 1 4 ? -10.966 5.325 11.278 1.00 14.93 ? 4 ASP A CB 1
527
+ ATOM 25 C CG . ASP A 1 4 ? -11.957 5.284 12.417 1.00 15.16 ? 4 ASP A CG 1
528
+ ATOM 26 O OD1 . ASP A 1 4 ? -12.370 6.374 12.861 1.00 15.47 ? 4 ASP A OD1 1
529
+ ATOM 27 O OD2 . ASP A 1 4 ? -12.384 4.226 12.928 1.00 15.30 ? 4 ASP A OD2 1
530
+ ATOM 28 N N . GLY A 1 5 ? -8.689 2.995 9.489 1.00 13.83 ? 5 GLY A N 1
531
+ ATOM 29 C CA . GLY A 1 5 ? -7.916 2.899 8.266 1.00 13.37 ? 5 GLY A CA 1
532
+ ATOM 30 C C . GLY A 1 5 ? -8.812 2.675 7.063 1.00 12.79 ? 5 GLY A C 1
533
+ ATOM 31 O O . GLY A 1 5 ? -9.838 1.997 7.160 1.00 13.06 ? 5 GLY A O 1
534
+ ATOM 32 N N . GLY A 1 6 ? -8.429 3.265 5.935 1.00 12.01 ? 6 GLY A N 1
535
+ ATOM 33 C CA . GLY A 1 6 ? -9.156 3.126 4.685 1.00 11.30 ? 6 GLY A CA 1
536
+ ATOM 34 C C . GLY A 1 6 ? -8.233 2.705 3.558 1.00 10.60 ? 6 GLY A C 1
537
+ ATOM 35 O O . GLY A 1 6 ? -7.027 2.580 3.740 1.00 10.12 ? 6 GLY A O 1
538
+ ATOM 36 N N . GLN A 1 7 ? -8.798 2.488 2.380 1.00 9.99 ? 7 GLN A N 1
539
+ ATOM 37 C CA . GLN A 1 7 ? -8.018 1.983 1.257 1.00 9.65 ? 7 GLN A CA 1
540
+ ATOM 38 C C . GLN A 1 7 ? -7.115 3.043 0.636 1.00 8.86 ? 7 GLN A C 1
541
+ ATOM 39 O O . GLN A 1 7 ? -7.341 4.242 0.790 1.00 8.78 ? 7 GLN A O 1
542
+ ATOM 40 C CB . GLN A 1 7 ? -8.943 1.364 0.209 1.00 10.04 ? 7 GLN A CB 1
543
+ ATOM 41 C CG . GLN A 1 7 ? -9.515 0.036 0.686 1.00 10.96 ? 7 GLN A CG 1
544
+ ATOM 42 C CD . GLN A 1 7 ? -10.595 -0.542 -0.210 1.00 12.01 ? 7 GLN A CD 1
545
+ ATOM 43 O OE1 . GLN A 1 7 ? -10.826 -1.751 -0.189 1.00 13.62 ? 7 GLN A OE1 1
546
+ ATOM 44 N NE2 . GLN A 1 7 ? -11.256 0.305 -0.993 1.00 12.18 ? 7 GLN A NE2 1
547
+ ATOM 45 N N . ILE A 1 8 ? -6.058 2.566 -0.014 1.00 8.00 ? 8 ILE A N 1
548
+ ATOM 46 C CA . ILE A 1 8 ? -5.231 3.364 -0.907 1.00 7.48 ? 8 ILE A CA 1
549
+ ATOM 47 C C . ILE A 1 8 ? -5.386 2.693 -2.271 1.00 7.04 ? 8 ILE A C 1
550
+ ATOM 48 O O . ILE A 1 8 ? -4.803 1.642 -2.526 1.00 6.79 ? 8 ILE A O 1
551
+ ATOM 49 C CB . ILE A 1 8 ? -3.752 3.392 -0.454 1.00 7.37 ? 8 ILE A CB 1
552
+ ATOM 50 C CG1 . ILE A 1 8 ? -3.632 3.960 0.960 1.00 7.48 ? 8 ILE A CG1 1
553
+ ATOM 51 C CG2 . ILE A 1 8 ? -2.899 4.208 -1.420 1.00 7.60 ? 8 ILE A CG2 1
554
+ ATOM 52 N N . LYS A 1 9 ? -6.192 3.303 -3.133 1.00 6.73 ? 9 LYS A N 1
555
+ ATOM 53 C CA . LYS A 1 9 ? -6.678 2.665 -4.351 1.00 6.59 ? 9 LYS A CA 1
556
+ ATOM 54 C C . LYS A 1 9 ? -6.032 3.292 -5.579 1.00 6.37 ? 9 LYS A C 1
557
+ ATOM 55 O O . LYS A 1 9 ? -6.120 4.495 -5.783 1.00 6.12 ? 9 LYS A O 1
558
+ ATOM 56 C CB . LYS A 1 9 ? -8.201 2.807 -4.434 1.00 6.75 ? 9 LYS A CB 1
559
+ ATOM 57 C CG . LYS A 1 9 ? -8.845 2.002 -5.553 1.00 7.51 ? 9 LYS A CG 1
560
+ ATOM 58 C CD . LYS A 1 9 ? -10.355 2.163 -5.567 1.00 8.86 ? 9 LYS A CD 1
561
+ ATOM 59 C CE . LYS A 1 9 ? -10.990 1.263 -6.613 1.00 9.60 ? 9 LYS A CE 1
562
+ ATOM 60 N NZ . LYS A 1 9 ? -12.418 1.372 -6.770 0.00 18.52 ? 9 LYS A NZ 1
563
+ ATOM 61 N N . GLY A 1 10 ? -5.391 2.468 -6.400 1.00 6.15 ? 10 GLY A N 1
564
+ ATOM 62 C CA . GLY A 1 10 ? -4.691 2.944 -7.579 1.00 6.16 ? 10 GLY A CA 1
565
+ ATOM 63 C C . GLY A 1 10 ? -5.648 3.328 -8.690 1.00 6.24 ? 10 GLY A C 1
566
+ ATOM 64 O O . GLY A 1 10 ? -6.566 2.578 -9.011 1.00 6.22 ? 10 GLY A O 1
567
+ ATOM 65 N N . VAL A 1 11 ? -5.432 4.499 -9.280 1.00 6.37 ? 11 VAL A N 1
568
+ ATOM 66 C CA . VAL A 1 11 ? -6.304 5.013 -10.335 1.00 6.62 ? 11 VAL A CA 1
569
+ ATOM 67 C C . VAL A 1 11 ? -6.179 4.176 -11.613 1.00 6.76 ? 11 VAL A C 1
570
+ ATOM 68 O O . VAL A 1 11 ? -7.182 3.799 -12.213 1.00 6.98 ? 11 VAL A O 1
571
+ ATOM 69 C CB . VAL A 1 11 ? -6.006 6.506 -10.627 1.00 6.85 ? 11 VAL A CB 1
572
+ ATOM 70 C CG1 . VAL A 1 11 ? -6.748 6.991 -11.872 1.00 7.25 ? 11 VAL A CG1 1
573
+ ATOM 71 C CG2 . VAL A 1 11 ? -6.384 7.359 -9.425 1.00 6.80 ? 11 VAL A CG2 1
574
+ ATOM 72 N N . GLY A 1 12 ? -4.948 3.880 -12.016 1.00 6.67 ? 12 GLY A N 1
575
+ ATOM 73 C CA . GLY A 1 12 ? -4.699 3.138 -13.239 1.00 6.74 ? 12 GLY A CA 1
576
+ ATOM 74 C C . GLY A 1 12 ? -5.189 1.700 -13.201 1.00 6.70 ? 12 GLY A C 1
577
+ ATOM 75 O O . GLY A 1 12 ? -5.693 1.180 -14.199 1.00 6.98 ? 12 GLY A O 1
578
+ ATOM 76 N N . SER A 1 13 ? -5.048 1.061 -12.043 1.00 6.55 ? 13 SER A N 1
579
+ ATOM 77 C CA . SER A 1 13 ? -5.345 -0.366 -11.891 1.00 6.50 ? 13 SER A CA 1
580
+ ATOM 78 C C . SER A 1 13 ? -6.753 -0.646 -11.369 1.00 6.47 ? 13 SER A C 1
581
+ ATOM 79 O O . SER A 1 13 ? -7.322 -1.701 -11.648 1.00 6.55 ? 13 SER A O 1
582
+ ATOM 80 C CB . SER A 1 13 ? -4.332 -1.011 -10.943 1.00 6.44 ? 13 SER A CB 1
583
+ ATOM 81 O OG . SER A 1 13 ? -4.430 -0.482 -9.630 1.00 6.40 ? 13 SER A OG 1
584
+ ATOM 82 N N . GLY A 1 14 ? -7.301 0.295 -10.605 1.00 6.40 ? 14 GLY A N 1
585
+ ATOM 83 C CA . GLY A 1 14 ? -8.521 0.071 -9.846 1.00 6.41 ? 14 GLY A CA 1
586
+ ATOM 84 C C . GLY A 1 14 ? -8.353 -0.937 -8.716 1.00 6.31 ? 14 GLY A C 1
587
+ ATOM 85 O O . GLY A 1 14 ? -9.342 -1.475 -8.214 1.00 6.77 ? 14 GLY A O 1
588
+ ATOM 86 N N . ARG A 1 15 ? -7.104 -1.184 -8.315 1.00 5.97 ? 15 ARG A N 1
589
+ ATOM 87 C CA . ARG A 1 15 ? -6.776 -2.138 -7.257 1.00 5.83 ? 15 ARG A CA 1
590
+ ATOM 88 C C . ARG A 1 15 ? -6.181 -1.427 -6.051 1.00 5.66 ? 15 ARG A C 1
591
+ ATOM 89 O O . ARG A 1 15 ? -5.748 -0.284 -6.144 1.00 5.84 ? 15 ARG A O 1
592
+ ATOM 90 C CB . ARG A 1 15 ? -5.811 -3.210 -7.772 1.00 5.76 ? 15 ARG A CB 1
593
+ ATOM 91 C CG . ARG A 1 15 ? -6.484 -4.218 -8.678 1.00 6.21 ? 15 ARG A CG 1
594
+ ATOM 92 C CD . ARG A 1 15 ? -5.663 -5.453 -8.997 1.00 6.89 ? 15 ARG A CD 1
595
+ ATOM 93 N NE . ARG A 1 15 ? -6.545 -6.474 -9.555 1.00 7.78 ? 15 ARG A NE 1
596
+ ATOM 94 C CZ . ARG A 1 15 ? -6.891 -6.582 -10.834 1.00 8.51 ? 15 ARG A CZ 1
597
+ ATOM 95 N NH1 . ARG A 1 15 ? -6.401 -5.756 -11.751 1.00 9.02 ? 15 ARG A NH1 1
598
+ ATOM 96 N NH2 . ARG A 1 15 ? -7.730 -7.545 -11.203 1.00 9.00 ? 15 ARG A NH2 1
599
+ ATOM 97 N N . CYS A 1 16 ? -6.159 -2.123 -4.920 1.00 5.49 ? 16 CYS A N 1
600
+ ATOM 98 C CA . CYS A 1 16 ? -5.802 -1.526 -3.639 1.00 5.49 ? 16 CYS A CA 1
601
+ ATOM 99 C C . CYS A 1 16 ? -4.428 -1.938 -3.125 1.00 5.13 ? 16 CYS A C 1
602
+ ATOM 100 O O . CYS A 1 16 ? -3.952 -3.046 -3.382 1.00 5.10 ? 16 CYS A O 1
603
+ ATOM 101 C CB . CYS A 1 16 ? -6.857 -1.886 -2.592 1.00 5.63 ? 16 CYS A CB 1
604
+ ATOM 102 S SG . CYS A 1 16 ? -8.400 -0.966 -2.765 1.00 7.04 ? 16 CYS A SG 1
605
+ ATOM 103 N N . LEU A 1 17 ? -3.810 -1.028 -2.379 1.00 4.96 ? 17 LEU A N 1
606
+ ATOM 104 C CA . LEU A 1 17 ? -2.558 -1.288 -1.683 1.00 4.93 ? 17 LEU A CA 1
607
+ ATOM 105 C C . LEU A 1 17 ? -2.798 -2.380 -0.644 1.00 4.90 ? 17 LEU A C 1
608
+ ATOM 106 O O . LEU A 1 17 ? -3.661 -2.242 0.219 1.00 4.89 ? 17 LEU A O 1
609
+ ATOM 107 C CB . LEU A 1 17 ? -2.066 -0.003 -1.016 1.00 4.93 ? 17 LEU A CB 1
610
+ ATOM 108 C CG . LEU A 1 17 ? -0.673 -0.015 -0.390 1.00 4.96 ? 17 LEU A CG 1
611
+ ATOM 109 C CD1 . LEU A 1 17 ? 0.393 -0.222 -1.459 1.00 5.12 ? 17 LEU A CD1 1
612
+ ATOM 110 C CD2 . LEU A 1 17 ? -0.430 1.282 0.365 1.00 5.16 ? 17 LEU A CD2 1
613
+ ATOM 111 N N . ASP A 1 18 ? -2.020 -3.454 -0.731 1.00 4.84 ? 18 ASP A N 1
614
+ ATOM 112 C CA . ASP A 1 18 ? -2.355 -4.723 -0.091 1.00 4.98 ? 18 ASP A CA 1
615
+ ATOM 113 C C . ASP A 1 18 ? -1.097 -5.403 0.445 1.00 4.99 ? 18 ASP A C 1
616
+ ATOM 114 O O . ASP A 1 18 ? -0.110 -5.530 -0.272 1.00 4.99 ? 18 ASP A O 1
617
+ ATOM 115 C CB . ASP A 1 18 ? -3.053 -5.611 -1.133 1.00 5.13 ? 18 ASP A CB 1
618
+ ATOM 116 C CG . ASP A 1 18 ? -3.424 -6.983 -0.604 1.00 5.45 ? 18 ASP A CG 1
619
+ ATOM 117 O OD1 . ASP A 1 18 ? -2.517 -7.827 -0.430 1.00 5.66 ? 18 ASP A OD1 1
620
+ ATOM 118 O OD2 . ASP A 1 18 ? -4.607 -7.311 -0.371 1.00 6.07 ? 18 ASP A OD2 1
621
+ ATOM 119 N N . VAL A 1 19 ? -1.127 -5.836 1.704 1.00 5.19 ? 19 VAL A N 1
622
+ ATOM 120 C CA . VAL A 1 19 ? -0.016 -6.602 2.266 1.00 5.47 ? 19 VAL A CA 1
623
+ ATOM 121 C C . VAL A 1 19 ? -0.243 -8.073 1.903 1.00 5.73 ? 19 VAL A C 1
624
+ ATOM 122 O O . VAL A 1 19 ? -1.211 -8.671 2.371 1.00 5.67 ? 19 VAL A O 1
625
+ ATOM 123 C CB . VAL A 1 19 ? 0.103 -6.475 3.806 1.00 5.48 ? 19 VAL A CB 1
626
+ ATOM 124 C CG1 . VAL A 1 19 ? 1.424 -7.068 4.269 1.00 5.72 ? 19 VAL A CG1 1
627
+ ATOM 125 C CG2 . VAL A 1 19 ? -0.004 -5.019 4.266 1.00 5.64 ? 19 VAL A CG2 1
628
+ ATOM 126 N N . PRO A 1 20 ? 0.623 -8.650 1.067 1.00 6.22 ? 20 PRO A N 1
629
+ ATOM 127 C CA . PRO A 1 20 ? 0.423 -10.021 0.572 1.00 6.74 ? 20 PRO A CA 1
630
+ ATOM 128 C C . PRO A 1 20 ? 0.135 -11.075 1.641 1.00 7.37 ? 20 PRO A C 1
631
+ ATOM 129 O O . PRO A 1 20 ? 0.852 -11.172 2.639 1.00 7.33 ? 20 PRO A O 1
632
+ ATOM 130 C CB . PRO A 1 20 ? 1.745 -10.333 -0.131 1.00 6.70 ? 20 PRO A CB 1
633
+ ATOM 131 C CG . PRO A 1 20 ? 2.246 -9.017 -0.577 1.00 6.49 ? 20 PRO A CG 1
634
+ ATOM 132 C CD . PRO A 1 20 ? 1.837 -8.042 0.488 1.00 6.21 ? 20 PRO A CD 1
635
+ ATOM 133 N N . ASP A 1 21 ? -0.922 -11.849 1.401 1.00 8.13 ? 21 ASP A N 1
636
+ ATOM 134 C CA . ASP A 1 21 ? -1.336 -12.976 2.242 1.00 8.84 ? 21 ASP A CA 1
637
+ ATOM 135 C C . ASP A 1 21 ? -1.746 -12.566 3.660 1.00 8.83 ? 21 ASP A C 1
638
+ ATOM 136 O O . ASP A 1 21 ? -1.774 -13.395 4.571 1.00 9.10 ? 21 ASP A O 1
639
+ ATOM 137 C CB . ASP A 1 21 ? -0.245 -14.055 2.264 1.00 9.33 ? 21 ASP A CB 1
640
+ ATOM 138 C CG . ASP A 1 21 ? 0.101 -14.560 0.873 1.00 10.83 ? 21 ASP A CG 1
641
+ ATOM 139 O OD1 . ASP A 1 21 ? -0.819 -14.705 0.040 1.00 12.25 ? 21 ASP A OD1 1
642
+ ATOM 140 O OD2 . ASP A 1 21 ? 1.266 -14.836 0.525 1.00 13.00 ? 21 ASP A OD2 1
643
+ ATOM 141 N N . ALA A 1 22 ? -2.094 -11.290 3.823 1.00 8.68 ? 22 ALA A N 1
644
+ ATOM 142 C CA . ALA A 1 22 ? -2.387 -10.698 5.128 1.00 8.61 ? 22 ALA A CA 1
645
+ ATOM 143 C C . ALA A 1 22 ? -1.259 -10.927 6.144 1.00 8.51 ? 22 ALA A C 1
646
+ ATOM 144 O O . ALA A 1 22 ? -1.500 -11.030 7.347 1.00 8.63 ? 22 ALA A O 1
647
+ ATOM 145 C CB . ALA A 1 22 ? -3.724 -11.216 5.660 1.00 8.72 ? 22 ALA A CB 1
648
+ ATOM 146 N N . SER A 1 23 ? -0.027 -10.994 5.646 1.00 8.34 ? 23 SER A N 1
649
+ ATOM 147 C CA . SER A 1 23 ? 1.153 -11.112 6.493 1.00 8.30 ? 23 SER A CA 1
650
+ ATOM 148 C C . SER A 1 23 ? 1.323 -9.830 7.304 1.00 8.20 ? 23 SER A C 1
651
+ ATOM 149 O O . SER A 1 23 ? 0.969 -8.748 6.838 1.00 8.10 ? 23 SER A O 1
652
+ ATOM 150 C CB . SER A 1 23 ? 2.400 -11.350 5.635 1.00 8.34 ? 23 SER A CB 1
653
+ ATOM 151 O OG . SER A 1 23 ? 3.557 -11.488 6.439 1.00 8.92 ? 23 SER A OG 1
654
+ ATOM 152 N N . THR A 1 24 ? 1.837 -9.959 8.524 1.00 8.16 ? 24 THR A N 1
655
+ ATOM 153 C CA . THR A 1 24 ? 2.211 -8.798 9.334 1.00 8.23 ? 24 THR A CA 1
656
+ ATOM 154 C C . THR A 1 24 ? 3.727 -8.690 9.497 1.00 8.12 ? 24 THR A C 1
657
+ ATOM 155 O O . THR A 1 24 ? 4.211 -7.859 10.264 1.00 8.06 ? 24 THR A O 1
658
+ ATOM 156 C CB . THR A 1 24 ? 1.558 -8.867 10.732 1.00 8.38 ? 24 THR A CB 1
659
+ ATOM 157 O OG1 . THR A 1 24 ? 2.048 -10.010 11.447 1.00 8.77 ? 24 THR A OG1 1
660
+ ATOM 158 C CG2 . THR A 1 24 ? 0.050 -9.085 10.643 1.00 8.58 ? 24 THR A CG2 1
661
+ ATOM 159 N N . SER A 1 25 ? 4.473 -9.518 8.771 1.00 7.90 ? 25 SER A N 1
662
+ ATOM 160 C CA . SER A 1 25 ? 5.918 -9.619 8.958 1.00 7.91 ? 25 SER A CA 1
663
+ ATOM 161 C C . SER A 1 25 ? 6.668 -8.381 8.477 1.00 7.67 ? 25 SER A C 1
664
+ ATOM 162 O O . SER A 1 25 ? 6.397 -7.861 7.393 1.00 7.67 ? 25 SER A O 1
665
+ ATOM 163 C CB . SER A 1 25 ? 6.467 -10.843 8.222 1.00 7.99 ? 25 SER A CB 1
666
+ ATOM 164 O OG . SER A 1 25 ? 5.890 -12.034 8.722 1.00 8.76 ? 25 SER A OG 1
667
+ ATOM 165 N N . ASP A 1 26 ? 7.617 -7.928 9.291 1.00 7.36 ? 26 ASP A N 1
668
+ ATOM 166 C CA . ASP A 1 26 ? 8.573 -6.900 8.891 1.00 7.23 ? 26 ASP A CA 1
669
+ ATOM 167 C C . ASP A 1 26 ? 9.207 -7.244 7.548 1.00 7.02 ? 26 ASP A C 1
670
+ ATOM 168 O O . ASP A 1 26 ? 9.552 -8.400 7.291 1.00 7.18 ? 26 ASP A O 1
671
+ ATOM 169 C CB . ASP A 1 26 ? 9.703 -6.780 9.919 1.00 7.11 ? 26 ASP A CB 1
672
+ ATOM 170 C CG . ASP A 1 26 ? 9.303 -6.033 11.182 1.00 7.25 ? 26 ASP A CG 1
673
+ ATOM 171 O OD1 . ASP A 1 26 ? 8.265 -5.334 11.211 1.00 7.11 ? 26 ASP A OD1 1
674
+ ATOM 172 O OD2 . ASP A 1 26 ? 10.016 -6.082 12.206 1.00 7.54 ? 26 ASP A OD2 1
675
+ ATOM 173 N N . GLY A 1 27 ? 9.372 -6.232 6.704 1.00 6.80 ? 27 GLY A N 1
676
+ ATOM 174 C CA . GLY A 1 27 ? 10.050 -6.382 5.432 1.00 6.79 ? 27 GLY A CA 1
677
+ ATOM 175 C C . GLY A 1 27 ? 9.204 -6.933 4.297 1.00 6.71 ? 27 GLY A C 1
678
+ ATOM 176 O O . GLY A 1 27 ? 9.737 -7.210 3.224 1.00 7.14 ? 27 GLY A O 1
679
+ ATOM 177 N N . THR A 1 28 ? 7.901 -7.092 4.513 1.00 6.46 ? 28 THR A N 1
680
+ ATOM 178 C CA . THR A 1 28 ? 7.017 -7.605 3.468 1.00 6.35 ? 28 THR A CA 1
681
+ ATOM 179 C C . THR A 1 28 ? 6.720 -6.509 2.453 1.00 6.14 ? 28 THR A C 1
682
+ ATOM 180 O O . THR A 1 28 ? 6.135 -5.484 2.803 1.00 6.03 ? 28 THR A O 1
683
+ ATOM 181 C CB . THR A 1 28 ? 5.690 -8.113 4.062 1.00 6.34 ? 28 THR A CB 1
684
+ ATOM 182 O OG1 . THR A 1 28 ? 5.941 -9.154 5.015 1.00 7.02 ? 28 THR A OG1 1
685
+ ATOM 183 C CG2 . THR A 1 28 ? 4.835 -8.789 2.990 1.00 6.46 ? 28 THR A CG2 1
686
+ ATOM 184 N N . GLN A 1 29 ? 7.111 -6.731 1.201 1.00 6.03 ? 29 GLN A N 1
687
+ ATOM 185 C CA . GLN A 1 29 ? 6.843 -5.773 0.136 1.00 5.99 ? 29 GLN A CA 1
688
+ ATOM 186 C C . GLN A 1 29 ? 5.358 -5.764 -0.226 1.00 5.93 ? 29 GLN A C 1
689
+ ATOM 187 O O . GLN A 1 29 ? 4.705 -6.808 -0.268 1.00 6.03 ? 29 GLN A O 1
690
+ ATOM 188 C CB . GLN A 1 29 ? 7.681 -6.070 -1.111 1.00 5.96 ? 29 GLN A CB 1
691
+ ATOM 189 C CG . GLN A 1 29 ? 7.493 -5.029 -2.215 1.00 5.99 ? 29 GLN A CG 1
692
+ ATOM 190 C CD . GLN A 1 29 ? 8.524 -5.116 -3.323 1.00 6.57 ? 29 GLN A CD 1
693
+ ATOM 191 O OE1 . GLN A 1 29 ? 9.259 -6.099 -3.429 1.00 7.68 ? 29 GLN A OE1 1
694
+ ATOM 192 N NE2 . GLN A 1 29 ? 8.576 -4.086 -4.159 1.00 6.46 ? 29 GLN A NE2 1
695
+ ATOM 193 N N . LEU A 1 30 ? 4.838 -4.571 -0.488 1.00 5.93 ? 30 LEU A N 1
696
+ ATOM 194 C CA . LEU A 1 30 ? 3.434 -4.388 -0.828 1.00 6.00 ? 30 LEU A CA 1
697
+ ATOM 195 C C . LEU A 1 30 ? 3.128 -4.701 -2.285 1.00 5.50 ? 30 LEU A C 1
698
+ ATOM 196 O O . LEU A 1 30 ? 4.018 -4.739 -3.133 1.00 5.22 ? 30 LEU A O 1
699
+ ATOM 197 C CB . LEU A 1 30 ? 3.004 -2.957 -0.507 1.00 6.44 ? 30 LEU A CB 1
700
+ ATOM 198 C CG . LEU A 1 30 ? 2.989 -2.623 0.983 1.00 8.10 ? 30 LEU A CG 1
701
+ ATOM 199 C CD1 . LEU A 1 30 ? 2.566 -1.220 1.169 1.00 9.09 ? 30 LEU A CD1 1
702
+ ATOM 200 C CD2 . LEU A 1 30 ? 2.052 -3.514 1.765 1.00 9.34 ? 30 LEU A CD2 1
703
+ ATOM 201 N N . GLN A 1 31 ? 1.846 -4.923 -2.551 1.00 5.14 ? 31 GLN A N 1
704
+ ATOM 202 C CA . GLN A 1 31 ? 1.354 -5.234 -3.888 1.00 5.04 ? 31 GLN A CA 1
705
+ ATOM 203 C C . GLN A 1 31 ? 0.009 -4.563 -4.153 1.00 4.99 ? 31 GLN A C 1
706
+ ATOM 204 O O . GLN A 1 31 ? -0.630 -4.042 -3.240 1.00 4.77 ? 31 GLN A O 1
707
+ ATOM 205 C CB . GLN A 1 31 ? 1.182 -6.752 -4.048 1.00 5.10 ? 31 GLN A CB 1
708
+ ATOM 206 C CG . GLN A 1 31 ? -0.024 -7.311 -3.277 1.00 5.25 ? 31 GLN A CG 1
709
+ ATOM 207 C CD . GLN A 1 31 ? -0.141 -8.825 -3.313 1.00 5.56 ? 31 GLN A CD 1
710
+ ATOM 208 O OE1 . GLN A 1 31 ? 0.564 -9.500 -4.063 1.00 6.20 ? 31 GLN A OE1 1
711
+ ATOM 209 N NE2 . GLN A 1 31 ? -1.037 -9.361 -2.493 1.00 5.76 ? 31 GLN A NE2 1
712
+ ATOM 210 N N . LEU A 1 32 ? -0.417 -4.593 -5.413 1.00 5.08 ? 32 LEU A N 1
713
+ ATOM 211 C CA . LEU A 1 32 ? -1.802 -4.317 -5.774 1.00 5.25 ? 32 LEU A CA 1
714
+ ATOM 212 C C . LEU A 1 32 ? -2.622 -5.588 -5.621 1.00 5.41 ? 32 LEU A C 1
715
+ ATOM 213 O O . LEU A 1 32 ? -2.153 -6.676 -5.946 1.00 5.34 ? 32 LEU A O 1
716
+ ATOM 214 C CB . LEU A 1 32 ? -1.913 -3.844 -7.224 1.00 5.24 ? 32 LEU A CB 1
717
+ ATOM 215 C CG . LEU A 1 32 ? -1.279 -2.506 -7.596 1.00 5.12 ? 32 LEU A CG 1
718
+ ATOM 216 C CD1 . LEU A 1 32 ? -1.474 -2.267 -9.082 1.00 5.25 ? 32 LEU A CD1 1
719
+ ATOM 217 C CD2 . LEU A 1 32 ? -1.883 -1.368 -6.786 1.00 5.20 ? 32 LEU A CD2 1
720
+ ATOM 218 N N . TRP A 1 33 ? -3.845 -5.443 -5.127 1.00 5.72 ? 33 TRP A N 1
721
+ ATOM 219 C CA . TRP A 1 33 ? -4.789 -6.556 -5.080 1.00 6.09 ? 33 TRP A CA 1
722
+ ATOM 220 C C . TRP A 1 33 ? -6.227 -6.064 -5.165 1.00 6.24 ? 33 TRP A C 1
723
+ ATOM 221 O O . TRP A 1 33 ? -6.530 -4.938 -4.776 1.00 5.89 ? 33 TRP A O 1
724
+ ATOM 222 C CB . TRP A 1 33 ? -4.602 -7.384 -3.805 1.00 6.28 ? 33 TRP A CB 1
725
+ ATOM 223 C CG . TRP A 1 33 ? -5.130 -8.783 -3.938 1.00 7.26 ? 33 TRP A CG 1
726
+ ATOM 224 C CD1 . TRP A 1 33 ? -6.354 -9.244 -3.543 1.00 8.05 ? 33 TRP A CD1 1
727
+ ATOM 225 C CD2 . TRP A 1 33 ? -4.456 -9.898 -4.528 1.00 7.96 ? 33 TRP A CD2 1
728
+ ATOM 226 N NE1 . TRP A 1 33 ? -6.476 -10.580 -3.842 1.00 8.73 ? 33 TRP A NE1 1
729
+ ATOM 227 C CE2 . TRP A 1 33 ? -5.325 -11.007 -4.448 1.00 8.49 ? 33 TRP A CE2 1
730
+ ATOM 228 C CE3 . TRP A 1 33 ? -3.195 -10.078 -5.114 1.00 8.28 ? 33 TRP A CE3 1
731
+ ATOM 229 C CZ2 . TRP A 1 33 ? -4.977 -12.272 -4.931 1.00 8.78 ? 33 TRP A CZ2 1
732
+ ATOM 230 C CZ3 . TRP A 1 33 ? -2.852 -11.335 -5.595 1.00 8.88 ? 33 TRP A CZ3 1
733
+ ATOM 231 C CH2 . TRP A 1 33 ? -3.741 -12.414 -5.500 1.00 9.05 ? 33 TRP A CH2 1
734
+ ATOM 232 N N . ASP A 1 34 ? -7.111 -6.925 -5.664 1.00 6.62 ? 34 ASP A N 1
735
+ ATOM 233 C CA . ASP A 1 34 ? -8.541 -6.627 -5.706 1.00 6.99 ? 34 ASP A CA 1
736
+ ATOM 234 C C . ASP A 1 34 ? -8.990 -6.064 -4.368 1.00 7.28 ? 34 ASP A C 1
737
+ ATOM 235 O O . ASP A 1 34 ? -8.697 -6.634 -3.316 1.00 7.08 ? 34 ASP A O 1
738
+ ATOM 236 C CB . ASP A 1 34 ? -9.364 -7.883 -6.005 1.00 7.13 ? 34 ASP A CB 1
739
+ ATOM 237 C CG . ASP A 1 34 ? -9.114 -8.440 -7.388 1.00 7.67 ? 34 ASP A CG 1
740
+ ATOM 238 O OD1 . ASP A 1 34 ? -8.865 -7.646 -8.317 1.00 7.69 ? 34 ASP A OD1 1
741
+ ATOM 239 O OD2 . ASP A 1 34 ? -9.173 -9.663 -7.636 1.00 8.82 ? 34 ASP A OD2 1
742
+ ATOM 240 N N . CYS A 1 35 ? -9.702 -4.945 -4.423 1.00 7.80 ? 35 CYS A N 1
743
+ ATOM 241 C CA . CYS A 1 35 ? -10.138 -4.237 -3.231 1.00 8.38 ? 35 CYS A CA 1
744
+ ATOM 242 C C . CYS A 1 35 ? -11.194 -5.031 -2.469 1.00 9.05 ? 35 CYS A C 1
745
+ ATOM 243 O O . CYS A 1 35 ? -12.161 -5.517 -3.050 1.00 9.02 ? 35 CYS A O 1
746
+ ATOM 244 C CB . CYS A 1 35 ? -10.692 -2.861 -3.602 1.00 8.30 ? 35 CYS A CB 1
747
+ ATOM 245 S SG . CYS A 1 35 ? -9.466 -1.738 -4.309 1.00 8.12 ? 35 CYS A SG 1
748
+ ATOM 246 N N . HIS A 1 36 ? -10.984 -5.159 -1.164 1.00 9.85 ? 36 HIS A N 1
749
+ ATOM 247 C CA . HIS A 1 36 ? -11.923 -5.822 -0.267 1.00 10.63 ? 36 HIS A CA 1
750
+ ATOM 248 C C . HIS A 1 36 ? -11.886 -5.097 1.096 1.00 11.27 ? 36 HIS A C 1
751
+ ATOM 249 O O . HIS A 1 36 ? -11.198 -4.085 1.234 1.00 11.53 ? 36 HIS A O 1
752
+ ATOM 250 C CB . HIS A 1 36 ? -11.581 -7.316 -0.166 1.00 10.70 ? 36 HIS A CB 1
753
+ ATOM 251 C CG . HIS A 1 36 ? -10.209 -7.592 0.365 1.00 10.78 ? 36 HIS A CG 1
754
+ ATOM 252 N ND1 . HIS A 1 36 ? -9.307 -8.412 -0.277 1.00 11.19 ? 36 HIS A ND1 1
755
+ ATOM 253 C CD2 . HIS A 1 36 ? -9.582 -7.147 1.476 1.00 10.82 ? 36 HIS A CD2 1
756
+ ATOM 254 C CE1 . HIS A 1 36 ? -8.189 -8.464 0.425 1.00 10.86 ? 36 HIS A CE1 1
757
+ ATOM 255 N NE2 . HIS A 1 36 ? -8.330 -7.705 1.494 1.00 11.19 ? 36 HIS A NE2 1
758
+ ATOM 256 N N . SER A 1 37 ? -12.600 -5.601 2.101 1.00 11.96 ? 37 SER A N 1
759
+ ATOM 257 C CA . SER A 1 37 ? -12.728 -4.877 3.381 1.00 12.41 ? 37 SER A CA 1
760
+ ATOM 258 C C . SER A 1 37 ? -11.722 -5.307 4.458 1.00 12.32 ? 37 SER A C 1
761
+ ATOM 259 O O . SER A 1 37 ? -11.807 -4.876 5.609 1.00 12.76 ? 37 SER A O 1
762
+ ATOM 260 C CB . SER A 1 37 ? -14.150 -5.012 3.931 1.00 12.67 ? 37 SER A CB 1
763
+ ATOM 261 O OG . SER A 1 37 ? -14.484 -6.369 4.164 1.00 13.68 ? 37 SER A OG 1
764
+ ATOM 262 N N . GLY A 1 38 ? -10.755 -6.123 4.062 1.00 12.01 ? 38 GLY A N 1
765
+ ATOM 263 C CA . GLY A 1 38 ? -9.823 -6.765 4.969 1.00 11.53 ? 38 GLY A CA 1
766
+ ATOM 264 C C . GLY A 1 38 ? -8.827 -5.800 5.576 1.00 11.02 ? 38 GLY A C 1
767
+ ATOM 265 O O . GLY A 1 38 ? -8.533 -4.753 5.000 1.00 11.00 ? 38 GLY A O 1
768
+ ATOM 266 N N . THR A 1 39 ? -8.291 -6.168 6.735 1.00 10.44 ? 39 THR A N 1
769
+ ATOM 267 C CA . THR A 1 39 ? -7.420 -5.275 7.500 1.00 10.05 ? 39 THR A CA 1
770
+ ATOM 268 C C . THR A 1 39 ? -6.065 -5.053 6.834 1.00 9.26 ? 39 THR A C 1
771
+ ATOM 269 O O . THR A 1 39 ? -5.411 -4.047 7.097 1.00 9.09 ? 39 THR A O 1
772
+ ATOM 270 C CB . THR A 1 39 ? -7.204 -5.787 8.942 1.00 10.29 ? 39 THR A CB 1
773
+ ATOM 271 O OG1 . THR A 1 39 ? -6.659 -7.112 8.923 1.00 10.95 ? 39 THR A OG1 1
774
+ ATOM 272 C CG2 . THR A 1 39 ? -8.529 -5.913 9.692 1.00 10.58 ? 39 THR A CG2 1
775
+ ATOM 273 N N . ASN A 1 40 ? -5.646 -5.987 5.981 1.00 8.48 ? 40 ASN A N 1
776
+ ATOM 274 C CA . ASN A 1 40 ? -4.405 -5.831 5.212 1.00 7.98 ? 40 ASN A CA 1
777
+ ATOM 275 C C . ASN A 1 40 ? -4.504 -4.841 4.036 1.00 7.51 ? 40 ASN A C 1
778
+ ATOM 276 O O . ASN A 1 40 ? -3.540 -4.666 3.293 1.00 7.29 ? 40 ASN A O 1
779
+ ATOM 277 C CB . ASN A 1 40 ? -3.873 -7.193 4.733 1.00 7.94 ? 40 ASN A CB 1
780
+ ATOM 278 C CG . ASN A 1 40 ? -4.758 -7.845 3.682 1.00 7.84 ? 40 ASN A CG 1
781
+ ATOM 279 O OD1 . ASN A 1 40 ? -5.986 -7.818 3.777 1.00 7.83 ? 40 ASN A OD1 1
782
+ ATOM 280 N ND2 . ASN A 1 40 ? -4.131 -8.455 2.682 1.00 7.89 ? 40 ASN A ND2 1
783
+ ATOM 281 N N . GLN A 1 41 ? -5.665 -4.208 3.871 1.00 7.15 ? 41 GLN A N 1
784
+ ATOM 282 C CA . GLN A 1 41 ? -5.846 -3.112 2.917 1.00 7.10 ? 41 GLN A CA 1
785
+ ATOM 283 C C . GLN A 1 41 ? -6.312 -1.817 3.596 1.00 7.09 ? 41 GLN A C 1
786
+ ATOM 284 O O . GLN A 1 41 ? -6.667 -0.854 2.915 1.00 6.95 ? 41 GLN A O 1
787
+ ATOM 285 C CB . GLN A 1 41 ? -6.851 -3.513 1.838 1.00 7.07 ? 41 GLN A CB 1
788
+ ATOM 286 C CG . GLN A 1 41 ? -6.332 -4.562 0.875 1.00 7.01 ? 41 GLN A CG 1
789
+ ATOM 287 C CD . GLN A 1 41 ? -7.306 -4.847 -0.247 1.00 6.73 ? 41 GLN A CD 1
790
+ ATOM 288 O OE1 . GLN A 1 41 ? -8.305 -4.146 -0.398 1.00 7.62 ? 41 GLN A OE1 1
791
+ ATOM 289 N NE2 . GLN A 1 41 ? -7.016 -5.869 -1.042 1.00 6.60 ? 41 GLN A NE2 1
792
+ ATOM 290 N N . GLN A 1 42 ? -6.304 -1.798 4.928 1.00 7.21 ? 42 GLN A N 1
793
+ ATOM 291 C CA . GLN A 1 42 ? -6.726 -0.630 5.700 1.00 7.48 ? 42 GLN A CA 1
794
+ ATOM 292 C C . GLN A 1 42 ? -5.510 0.173 6.148 1.00 7.19 ? 42 GLN A C 1
795
+ ATOM 293 O O . GLN A 1 42 ? -4.695 -0.312 6.931 1.00 7.44 ? 42 GLN A O 1
796
+ ATOM 294 C CB . GLN A 1 42 ? -7.546 -1.056 6.922 1.00 7.86 ? 42 GLN A CB 1
797
+ ATOM 295 C CG . GLN A 1 42 ? -8.866 -1.721 6.573 1.00 8.77 ? 42 GLN A CG 1
798
+ ATOM 296 C CD . GLN A 1 42 ? -9.633 -2.240 7.776 1.00 10.27 ? 42 GLN A CD 1
799
+ ATOM 297 O OE1 . GLN A 1 42 ? -10.469 -3.134 7.637 1.00 12.24 ? 42 GLN A OE1 1
800
+ ATOM 298 N NE2 . GLN A 1 42 ? -9.360 -1.685 8.951 1.00 10.90 ? 42 GLN A NE2 1
801
+ ATOM 299 N N . TRP A 1 43 ? -5.409 1.404 5.652 1.00 6.90 ? 43 TRP A N 1
802
+ ATOM 300 C CA . TRP A 1 43 ? -4.276 2.285 5.912 1.00 6.71 ? 43 TRP A CA 1
803
+ ATOM 301 C C . TRP A 1 43 ? -4.758 3.532 6.638 1.00 6.94 ? 43 TRP A C 1
804
+ ATOM 302 O O . TRP A 1 43 ? -5.554 4.294 6.099 1.00 7.04 ? 43 TRP A O 1
805
+ ATOM 303 C CB . TRP A 1 43 ? -3.580 2.639 4.596 1.00 6.47 ? 43 TRP A CB 1
806
+ ATOM 304 C CG . TRP A 1 43 ? -3.097 1.406 3.921 1.00 5.74 ? 43 TRP A CG 1
807
+ ATOM 305 C CD1 . TRP A 1 43 ? -3.753 0.680 2.973 1.00 5.51 ? 43 TRP A CD1 1
808
+ ATOM 306 C CD2 . TRP A 1 43 ? -1.884 0.701 4.198 1.00 5.16 ? 43 TRP A CD2 1
809
+ ATOM 307 N NE1 . TRP A 1 43 ? -3.010 -0.421 2.622 1.00 5.33 ? 43 TRP A NE1 1
810
+ ATOM 308 C CE2 . TRP A 1 43 ? -1.856 -0.432 3.360 1.00 5.23 ? 43 TRP A CE2 1
811
+ ATOM 309 C CE3 . TRP A 1 43 ? -0.804 0.921 5.062 1.00 5.05 ? 43 TRP A CE3 1
812
+ ATOM 310 C CZ2 . TRP A 1 43 ? -0.795 -1.340 3.360 1.00 5.06 ? 43 TRP A CZ2 1
813
+ ATOM 311 C CZ3 . TRP A 1 43 ? 0.250 0.021 5.060 1.00 4.73 ? 43 TRP A CZ3 1
814
+ ATOM 312 C CH2 . TRP A 1 43 ? 0.246 -1.096 4.216 1.00 4.94 ? 43 TRP A CH2 1
815
+ ATOM 313 N N . ALA A 1 44 ? -4.276 3.723 7.862 1.00 7.21 ? 44 ALA A N 1
816
+ ATOM 314 C CA . ALA A 1 44 ? -4.739 4.797 8.732 1.00 7.46 ? 44 ALA A CA 1
817
+ ATOM 315 C C . ALA A 1 44 ? -3.713 5.918 8.767 1.00 7.67 ? 44 ALA A C 1
818
+ ATOM 316 O O . ALA A 1 44 ? -2.591 5.725 9.229 1.00 7.66 ? 44 ALA A O 1
819
+ ATOM 317 C CB . ALA A 1 44 ? -4.978 4.266 10.137 1.00 7.59 ? 44 ALA A CB 1
820
+ ATOM 318 N N . ALA A 1 45 ? -4.096 7.092 8.277 1.00 8.03 ? 45 ALA A N 1
821
+ ATOM 319 C CA . ALA A 1 45 ? -3.226 8.256 8.349 1.00 8.26 ? 45 ALA A CA 1
822
+ ATOM 320 C C . ALA A 1 45 ? -3.124 8.733 9.793 1.00 8.39 ? 45 ALA A C 1
823
+ ATOM 321 O O . ALA A 1 45 ? -4.099 8.673 10.544 1.00 8.57 ? 45 ALA A O 1
824
+ ATOM 322 C CB . ALA A 1 45 ? -3.743 9.371 7.458 1.00 8.44 ? 45 ALA A CB 1
825
+ ATOM 323 N N . THR A 1 46 ? -1.935 9.181 10.182 1.00 8.38 ? 46 THR A N 1
826
+ ATOM 324 C CA . THR A 1 46 ? -1.726 9.793 11.491 1.00 8.37 ? 46 THR A CA 1
827
+ ATOM 325 C C . THR A 1 46 ? -1.168 11.198 11.309 1.00 8.59 ? 46 THR A C 1
828
+ ATOM 326 O O . THR A 1 46 ? -0.711 11.561 10.226 1.00 8.38 ? 46 THR A O 1
829
+ ATOM 327 C CB . THR A 1 46 ? -0.757 8.958 12.357 1.00 8.26 ? 46 THR A CB 1
830
+ ATOM 328 O OG1 . THR A 1 46 ? 0.551 8.957 11.769 1.00 7.93 ? 46 THR A OG1 1
831
+ ATOM 329 C CG2 . THR A 1 46 ? -1.170 7.489 12.403 1.00 8.27 ? 46 THR A CG2 1
832
+ ATOM 330 N N . ASP A 1 47 ? -1.197 11.978 12.383 1.00 8.89 ? 47 ASP A N 1
833
+ ATOM 331 C CA . ASP A 1 47 ? -0.670 13.341 12.369 1.00 9.20 ? 47 ASP A CA 1
834
+ ATOM 332 C C . ASP A 1 47 ? 0.857 13.368 12.213 1.00 9.15 ? 47 ASP A C 1
835
+ ATOM 333 O O . ASP A 1 47 ? 1.418 14.368 11.769 1.00 9.52 ? 47 ASP A O 1
836
+ ATOM 334 C CB . ASP A 1 47 ? -1.107 14.087 13.635 1.00 9.45 ? 47 ASP A CB 1
837
+ ATOM 335 C CG . ASP A 1 47 ? -2.615 14.289 13.704 1.00 10.10 ? 47 ASP A CG 1
838
+ ATOM 336 O OD1 . ASP A 1 47 ? -3.235 14.557 12.653 1.00 11.40 ? 47 ASP A OD1 1
839
+ ATOM 337 O OD2 . ASP A 1 47 ? -3.269 14.195 14.763 1.00 10.62 ? 47 ASP A OD2 1
840
+ ATOM 338 N N . ALA A 1 48 ? 1.516 12.261 12.558 1.00 8.88 ? 48 ALA A N 1
841
+ ATOM 339 C CA . ALA A 1 48 ? 2.957 12.102 12.339 1.00 8.63 ? 48 ALA A CA 1
842
+ ATOM 340 C C . ALA A 1 48 ? 3.315 11.842 10.868 1.00 8.20 ? 48 ALA A C 1
843
+ ATOM 341 O O . ALA A 1 48 ? 4.495 11.763 10.525 1.00 8.49 ? 48 ALA A O 1
844
+ ATOM 342 C CB . ALA A 1 48 ? 3.501 10.974 13.214 1.00 8.71 ? 48 ALA A CB 1
845
+ ATOM 343 N N . GLY A 1 49 ? 2.306 11.695 10.012 1.00 7.51 ? 49 GLY A N 1
846
+ ATOM 344 C CA . GLY A 1 49 ? 2.510 11.462 8.591 1.00 6.98 ? 49 GLY A CA 1
847
+ ATOM 345 C C . GLY A 1 49 ? 2.562 9.997 8.193 1.00 6.49 ? 49 GLY A C 1
848
+ ATOM 346 O O . GLY A 1 49 ? 2.871 9.679 7.050 1.00 6.16 ? 49 GLY A O 1
849
+ ATOM 347 N N . GLU A 1 50 ? 2.249 9.097 9.121 1.00 6.04 ? 50 GLU A N 1
850
+ ATOM 348 C CA . GLU A 1 50 ? 2.307 7.664 8.838 1.00 5.91 ? 50 GLU A CA 1
851
+ ATOM 349 C C . GLU A 1 50 ? 1.082 7.194 8.066 1.00 5.81 ? 50 GLU A C 1
852
+ ATOM 350 O O . GLU A 1 50 ? 0.059 7.876 8.033 1.00 5.77 ? 50 GLU A O 1
853
+ ATOM 351 C CB . GLU A 1 50 ? 2.405 6.857 10.134 1.00 5.96 ? 50 GLU A CB 1
854
+ ATOM 352 C CG . GLU A 1 50 ? 3.568 7.238 11.035 1.00 6.04 ? 50 GLU A CG 1
855
+ ATOM 353 C CD . GLU A 1 50 ? 3.309 6.892 12.485 1.00 6.25 ? 50 GLU A CD 1
856
+ ATOM 354 O OE1 . GLU A 1 50 ? 2.227 7.246 12.996 1.00 6.58 ? 50 GLU A OE1 1
857
+ ATOM 355 O OE2 . GLU A 1 50 ? 4.183 6.265 13.117 1.00 6.75 ? 50 GLU A OE2 1
858
+ ATOM 356 N N . LEU A 1 51 ? 1.216 6.036 7.428 1.00 5.71 ? 51 LEU A N 1
859
+ ATOM 357 C CA . LEU A 1 51 ? 0.083 5.250 6.960 1.00 5.66 ? 51 LEU A CA 1
860
+ ATOM 358 C C . LEU A 1 51 ? 0.179 3.890 7.641 1.00 5.55 ? 51 LEU A C 1
861
+ ATOM 359 O O . LEU A 1 51 ? 0.994 3.048 7.264 1.00 5.39 ? 51 LEU A O 1
862
+ ATOM 360 C CB . LEU A 1 51 ? 0.082 5.124 5.433 1.00 5.73 ? 51 LEU A CB 1
863
+ ATOM 361 C CG . LEU A 1 51 ? -0.366 6.397 4.703 1.00 5.96 ? 51 LEU A CG 1
864
+ ATOM 362 C CD1 . LEU A 1 51 ? -0.026 6.336 3.220 1.00 6.20 ? 51 LEU A CD1 1
865
+ ATOM 363 C CD2 . LEU A 1 51 ? -1.864 6.660 4.899 1.00 6.25 ? 51 LEU A CD2 1
866
+ ATOM 364 N N . ARG A 1 52 ? -0.640 3.703 8.672 1.00 5.71 ? 52 ARG A N 1
867
+ ATOM 365 C CA . ARG A 1 52 ? -0.547 2.543 9.550 1.00 5.90 ? 52 ARG A CA 1
868
+ ATOM 366 C C . ARG A 1 52 ? -1.460 1.403 9.128 1.00 6.09 ? 52 ARG A C 1
869
+ ATOM 367 O O . ARG A 1 52 ? -2.561 1.618 8.632 1.00 6.32 ? 52 ARG A O 1
870
+ ATOM 368 C CB . ARG A 1 52 ? -0.891 2.934 10.987 1.00 5.87 ? 52 ARG A CB 1
871
+ ATOM 369 C CG . ARG A 1 52 ? 0.136 3.817 11.657 1.00 6.50 ? 52 ARG A CG 1
872
+ ATOM 370 C CD . ARG A 1 52 ? -0.059 3.922 13.154 1.00 7.23 ? 52 ARG A CD 1
873
+ ATOM 371 N NE . ARG A 1 52 ? 1.081 4.571 13.794 1.00 7.43 ? 52 ARG A NE 1
874
+ ATOM 372 C CZ . ARG A 1 52 ? 1.632 4.208 14.951 1.00 7.62 ? 52 ARG A CZ 1
875
+ ATOM 373 N NH1 . ARG A 1 52 ? 1.161 3.175 15.640 1.00 7.77 ? 52 ARG A NH1 1
876
+ ATOM 374 N NH2 . ARG A 1 52 ? 2.676 4.878 15.423 1.00 7.85 ? 52 ARG A NH2 1
877
+ ATOM 375 N N . VAL A 1 53 ? -0.981 0.188 9.354 1.00 6.43 ? 53 VAL A N 1
878
+ ATOM 376 C CA . VAL A 1 53 ? -1.749 -1.028 9.130 1.00 6.63 ? 53 VAL A CA 1
879
+ ATOM 377 C C . VAL A 1 53 ? -1.525 -1.942 10.340 1.00 6.90 ? 53 VAL A C 1
880
+ ATOM 378 O O . VAL A 1 53 ? -0.465 -1.904 10.955 1.00 6.75 ? 53 VAL A O 1
881
+ ATOM 379 C CB . VAL A 1 53 ? -1.329 -1.701 7.796 1.00 6.62 ? 53 VAL A CB 1
882
+ ATOM 380 C CG1 . VAL A 1 53 ? 0.129 -2.175 7.836 1.00 6.59 ? 53 VAL A CG1 1
883
+ ATOM 381 C CG2 . VAL A 1 53 ? -2.267 -2.838 7.432 1.00 6.66 ? 53 VAL A CG2 1
884
+ ATOM 382 N N . TYR A 1 54 ? -2.539 -2.724 10.703 1.00 7.37 ? 54 TYR A N 1
885
+ ATOM 383 C CA . TYR A 1 54 ? -2.465 -3.644 11.844 1.00 7.75 ? 54 TYR A CA 1
886
+ ATOM 384 C C . TYR A 1 54 ? -2.177 -2.948 13.185 1.00 8.12 ? 54 TYR A C 1
887
+ ATOM 385 O O . TYR A 1 54 ? -1.592 -3.550 14.087 1.00 8.43 ? 54 TYR A O 1
888
+ ATOM 386 C CB . TYR A 1 54 ? -1.394 -4.718 11.620 1.00 7.83 ? 54 TYR A CB 1
889
+ ATOM 387 C CG . TYR A 1 54 ? -1.452 -5.461 10.306 1.00 7.70 ? 54 TYR A CG 1
890
+ ATOM 388 C CD1 . TYR A 1 54 ? -0.315 -5.574 9.510 1.00 7.65 ? 54 TYR A CD1 1
891
+ ATOM 389 C CD2 . TYR A 1 54 ? -2.622 -6.082 9.873 1.00 7.68 ? 54 TYR A CD2 1
892
+ ATOM 390 C CE1 . TYR A 1 54 ? -0.340 -6.268 8.317 1.00 7.26 ? 54 TYR A CE1 1
893
+ ATOM 391 C CE2 . TYR A 1 54 ? -2.657 -6.784 8.671 1.00 7.35 ? 54 TYR A CE2 1
894
+ ATOM 392 C CZ . TYR A 1 54 ? -1.511 -6.872 7.899 1.00 7.24 ? 54 TYR A CZ 1
895
+ ATOM 393 O OH . TYR A 1 54 ? -1.519 -7.569 6.713 1.00 7.39 ? 54 TYR A OH 1
896
+ ATOM 394 N N . GLY A 1 55 ? -2.573 -1.685 13.310 1.00 8.48 ? 55 GLY A N 1
897
+ ATOM 395 C CA . GLY A 1 55 ? -2.387 -0.936 14.543 1.00 8.78 ? 55 GLY A CA 1
898
+ ATOM 396 C C . GLY A 1 55 ? -1.039 -0.246 14.663 1.00 9.02 ? 55 GLY A C 1
899
+ ATOM 397 O O . GLY A 1 55 ? -0.982 0.979 14.731 1.00 9.29 ? 55 GLY A O 1
900
+ ATOM 398 N N . ASP A 1 56 ? 0.038 -1.032 14.688 1.00 9.22 ? 56 ASP A N 1
901
+ ATOM 399 C CA . ASP A 1 56 ? 1.383 -0.526 14.973 1.00 9.29 ? 56 ASP A CA 1
902
+ ATOM 400 C C . ASP A 1 56 ? 2.411 -0.825 13.876 1.00 8.73 ? 56 ASP A C 1
903
+ ATOM 401 O O . ASP A 1 56 ? 3.610 -0.697 14.111 1.00 8.84 ? 56 ASP A O 1
904
+ ATOM 402 C CB . ASP A 1 56 ? 1.883 -1.107 16.301 1.00 9.69 ? 56 ASP A CB 1
905
+ ATOM 403 C CG . ASP A 1 56 ? 2.055 -2.616 16.252 1.00 10.76 ? 56 ASP A CG 1
906
+ ATOM 404 O OD1 . ASP A 1 56 ? 2.948 -3.141 16.954 1.00 12.81 ? 56 ASP A OD1 1
907
+ ATOM 405 O OD2 . ASP A 1 56 ? 1.601 -3.151 15.190 0.00 19.35 ? 56 ASP A OD2 1
908
+ ATOM 406 N N . LYS A 1 57 ? 1.953 -1.234 12.696 1.00 8.13 ? 57 LYS A N 1
909
+ ATOM 407 C CA . LYS A 1 57 ? 2.835 -1.377 11.536 1.00 7.65 ? 57 LYS A CA 1
910
+ ATOM 408 C C . LYS A 1 57 ? 2.675 -0.161 10.636 1.00 6.94 ? 57 LYS A C 1
911
+ ATOM 409 O O . LYS A 1 57 ? 1.623 0.477 10.627 1.00 6.79 ? 57 LYS A O 1
912
+ ATOM 410 C CB . LYS A 1 57 ? 2.529 -2.657 10.756 1.00 7.88 ? 57 LYS A CB 1
913
+ ATOM 411 C CG . LYS A 1 57 ? 2.707 -3.928 11.566 1.00 8.64 ? 57 LYS A CG 1
914
+ ATOM 412 C CD . LYS A 1 57 ? 4.156 -4.319 11.625 1.00 9.68 ? 57 LYS A CD 1
915
+ ATOM 413 C CE . LYS A 1 57 ? 4.332 -5.580 12.403 0.00 17.62 ? 57 LYS A CE 1
916
+ ATOM 414 N NZ . LYS A 1 57 ? 5.781 -5.951 12.543 0.00 22.19 ? 57 LYS A NZ 1
917
+ ATOM 415 N N . CYS A 1 58 ? 3.727 0.152 9.886 1.00 6.26 ? 58 CYS A N 1
918
+ ATOM 416 C CA . CYS A 1 58 ? 3.804 1.372 9.085 1.00 5.86 ? 58 CYS A CA 1
919
+ ATOM 417 C C . CYS A 1 58 ? 4.239 1.080 7.660 1.00 5.46 ? 58 CYS A C 1
920
+ ATOM 418 O O . CYS A 1 58 ? 5.139 0.278 7.425 1.00 5.25 ? 58 CYS A O 1
921
+ ATOM 419 C CB . CYS A 1 58 ? 4.813 2.353 9.696 1.00 5.80 ? 58 CYS A CB 1
922
+ ATOM 420 S SG . CYS A 1 58 ? 4.126 3.501 10.905 1.00 6.53 ? 58 CYS A SG 1
923
+ ATOM 421 N N . LEU A 1 59 ? 3.603 1.759 6.713 1.00 5.12 ? 59 LEU A N 1
924
+ ATOM 422 C CA . LEU A 1 59 ? 4.092 1.816 5.346 1.00 4.97 ? 59 LEU A CA 1
925
+ ATOM 423 C C . LEU A 1 59 ? 5.512 2.372 5.404 1.00 4.73 ? 59 LEU A C 1
926
+ ATOM 424 O O . LEU A 1 59 ? 5.757 3.392 6.048 1.00 4.57 ? 59 LEU A O 1
927
+ ATOM 425 C CB . LEU A 1 59 ? 3.190 2.718 4.499 1.00 4.97 ? 59 LEU A CB 1
928
+ ATOM 426 C CG . LEU A 1 59 ? 3.459 2.740 2.993 1.00 5.24 ? 59 LEU A CG 1
929
+ ATOM 427 C CD1 . LEU A 1 59 ? 3.167 1.399 2.404 1.00 5.27 ? 59 LEU A CD1 1
930
+ ATOM 428 C CD2 . LEU A 1 59 ? 2.615 3.791 2.298 1.00 5.67 ? 59 LEU A CD2 1
931
+ ATOM 429 N N . ASP A 1 60 ? 6.440 1.693 4.738 1.00 4.71 ? 60 ASP A N 1
932
+ ATOM 430 C CA . ASP A 1 60 ? 7.864 1.876 4.997 1.00 4.75 ? 60 ASP A CA 1
933
+ ATOM 431 C C . ASP A 1 60 ? 8.671 1.870 3.707 1.00 4.65 ? 60 ASP A C 1
934
+ ATOM 432 O O . ASP A 1 60 ? 8.557 0.947 2.912 1.00 4.48 ? 60 ASP A O 1
935
+ ATOM 433 C CB . ASP A 1 60 ? 8.352 0.749 5.914 1.00 4.85 ? 60 ASP A CB 1
936
+ ATOM 434 C CG . ASP A 1 60 ? 9.734 1.001 6.468 1.00 5.27 ? 60 ASP A CG 1
937
+ ATOM 435 O OD1 . ASP A 1 60 ? 10.730 0.621 5.812 1.00 5.85 ? 60 ASP A OD1 1
938
+ ATOM 436 O OD2 . ASP A 1 60 ? 9.909 1.558 7.566 1.00 5.46 ? 60 ASP A OD2 1
939
+ ATOM 437 N N . ALA A 1 61 ? 9.494 2.896 3.510 1.00 4.85 ? 61 ALA A N 1
940
+ ATOM 438 C CA . ALA A 1 61 ? 10.407 2.944 2.374 1.00 5.08 ? 61 ALA A CA 1
941
+ ATOM 439 C C . ALA A 1 61 ? 11.745 2.321 2.767 1.00 5.41 ? 61 ALA A C 1
942
+ ATOM 440 O O . ALA A 1 61 ? 12.421 2.808 3.670 1.00 5.45 ? 61 ALA A O 1
943
+ ATOM 441 C CB . ALA A 1 61 ? 10.605 4.376 1.913 1.00 5.16 ? 61 ALA A CB 1
944
+ ATOM 442 N N . ALA A 1 62 ? 12.122 1.246 2.080 1.00 5.87 ? 62 ALA A N 1
945
+ ATOM 443 C CA . ALA A 1 62 ? 13.379 0.539 2.352 1.00 6.42 ? 62 ALA A CA 1
946
+ ATOM 444 C C . ALA A 1 62 ? 14.614 1.336 1.923 1.00 6.86 ? 62 ALA A C 1
947
+ ATOM 445 O O . ALA A 1 62 ? 15.727 1.054 2.372 1.00 7.72 ? 62 ALA A O 1
948
+ ATOM 446 C CB . ALA A 1 62 ? 13.376 -0.822 1.668 1.00 6.52 ? 62 ALA A CB 1
949
+ ATOM 447 N N . GLY A 1 63 ? 14.416 2.318 1.049 1.00 7.08 ? 63 GLY A N 1
950
+ ATOM 448 C CA . GLY A 1 63 ? 15.498 3.150 0.551 1.00 7.36 ? 63 GLY A CA 1
951
+ ATOM 449 C C . GLY A 1 63 ? 15.000 4.507 0.094 1.00 7.64 ? 63 GLY A C 1
952
+ ATOM 450 O O . GLY A 1 63 ? 13.866 4.894 0.392 1.00 7.62 ? 63 GLY A O 1
953
+ ATOM 451 N N . THR A 1 64 ? 15.848 5.224 -0.638 1.00 7.94 ? 64 THR A N 1
954
+ ATOM 452 C CA . THR A 1 64 ? 15.549 6.583 -1.090 1.00 8.40 ? 64 THR A CA 1
955
+ ATOM 453 C C . THR A 1 64 ? 15.649 6.758 -2.605 1.00 8.61 ? 64 THR A C 1
956
+ ATOM 454 O O . THR A 1 64 ? 15.564 7.883 -3.097 1.00 8.96 ? 64 THR A O 1
957
+ ATOM 455 C CB . THR A 1 64 ? 16.530 7.576 -0.436 1.00 8.49 ? 64 THR A CB 1
958
+ ATOM 456 O OG1 . THR A 1 64 ? 17.868 7.260 -0.841 1.00 9.45 ? 64 THR A OG1 1
959
+ ATOM 457 C CG2 . THR A 1 64 ? 16.544 7.438 1.083 1.00 8.58 ? 64 THR A CG2 1
960
+ ATOM 458 N N . SER A 1 65 ? 15.827 5.663 -3.342 1.00 8.82 ? 65 SER A N 1
961
+ ATOM 459 C CA . SER A 1 65 ? 16.065 5.737 -4.785 1.00 9.04 ? 65 SER A CA 1
962
+ ATOM 460 C C . SER A 1 65 ? 14.965 5.071 -5.600 1.00 8.67 ? 65 SER A C 1
963
+ ATOM 461 O O . SER A 1 65 ? 14.116 4.366 -5.061 1.00 8.58 ? 65 SER A O 1
964
+ ATOM 462 C CB . SER A 1 65 ? 17.407 5.090 -5.138 1.00 9.41 ? 65 SER A CB 1
965
+ ATOM 463 O OG . SER A 1 65 ? 17.466 3.748 -4.695 1.00 10.88 ? 65 SER A OG 1
966
+ ATOM 464 N N . ASN A 1 66 ? 14.994 5.316 -6.907 1.00 8.30 ? 66 ASN A N 1
967
+ ATOM 465 C CA . ASN A 1 66 ? 14.155 4.598 -7.859 1.00 8.17 ? 66 ASN A CA 1
968
+ ATOM 466 C C . ASN A 1 66 ? 14.284 3.099 -7.657 1.00 8.02 ? 66 ASN A C 1
969
+ ATOM 467 O O . ASN A 1 66 ? 15.392 2.567 -7.604 1.00 7.96 ? 66 ASN A O 1
970
+ ATOM 468 C CB . ASN A 1 66 ? 14.568 4.915 -9.299 1.00 8.20 ? 66 ASN A CB 1
971
+ ATOM 469 C CG . ASN A 1 66 ? 14.107 6.279 -9.766 1.00 8.60 ? 66 ASN A CG 1
972
+ ATOM 470 O OD1 . ASN A 1 66 ? 13.309 6.944 -9.111 1.00 9.21 ? 66 ASN A OD1 1
973
+ ATOM 471 N ND2 . ASN A 1 66 ? 14.609 6.701 -10.919 1.00 9.58 ? 66 ASN A ND2 1
974
+ ATOM 472 N N . GLY A 1 67 ? 13.146 2.423 -7.549 1.00 7.87 ? 67 GLY A N 1
975
+ ATOM 473 C CA . GLY A 1 67 ? 13.117 0.982 -7.406 1.00 7.95 ? 67 GLY A CA 1
976
+ ATOM 474 C C . GLY A 1 67 ? 13.236 0.459 -5.987 1.00 7.91 ? 67 GLY A C 1
977
+ ATOM 475 O O . GLY A 1 67 ? 13.134 -0.748 -5.779 1.00 8.16 ? 67 GLY A O 1
978
+ ATOM 476 N N . SER A 1 68 ? 13.449 1.342 -5.013 1.00 7.78 ? 68 SER A N 1
979
+ ATOM 477 C CA . SER A 1 68 ? 13.495 0.918 -3.617 1.00 7.85 ? 68 SER A CA 1
980
+ ATOM 478 C C . SER A 1 68 ? 12.137 0.354 -3.216 1.00 7.36 ? 68 SER A C 1
981
+ ATOM 479 O O . SER A 1 68 ? 11.091 0.873 -3.603 1.00 7.05 ? 68 SER A O 1
982
+ ATOM 480 C CB . SER A 1 68 ? 13.908 2.058 -2.681 1.00 8.25 ? 68 SER A CB 1
983
+ ATOM 481 O OG . SER A 1 68 ? 13.168 3.232 -2.921 1.00 9.91 ? 68 SER A OG 1
984
+ ATOM 482 N N . LYS A 1 69 ? 12.164 -0.727 -2.452 1.00 7.00 ? 69 LYS A N 1
985
+ ATOM 483 C CA . LYS A 1 69 ? 10.950 -1.432 -2.083 1.00 7.04 ? 69 LYS A CA 1
986
+ ATOM 484 C C . LYS A 1 69 ? 10.106 -0.637 -1.106 1.00 6.42 ? 69 LYS A C 1
987
+ ATOM 485 O O . LYS A 1 69 ? 10.625 0.046 -0.228 1.00 6.31 ? 69 LYS A O 1
988
+ ATOM 486 C CB . LYS A 1 69 ? 11.295 -2.780 -1.472 1.00 7.51 ? 69 LYS A CB 1
989
+ ATOM 487 C CG . LYS A 1 69 ? 11.945 -3.721 -2.461 1.00 9.02 ? 69 LYS A CG 1
990
+ ATOM 488 C CD . LYS A 1 69 ? 12.074 -5.124 -1.907 1.00 10.59 ? 69 LYS A CD 1
991
+ ATOM 489 C CE . LYS A 1 69 ? 13.030 -5.176 -0.730 1.00 11.69 ? 69 LYS A CE 1
992
+ ATOM 490 N NZ . LYS A 1 69 ? 13.109 -6.543 -0.147 1.00 12.79 ? 69 LYS A NZ 1
993
+ ATOM 491 N N . VAL A 1 70 ? 8.795 -0.727 -1.288 1.00 5.75 ? 70 VAL A N 1
994
+ ATOM 492 C CA . VAL A 1 70 ? 7.835 -0.210 -0.328 1.00 5.44 ? 70 VAL A CA 1
995
+ ATOM 493 C C . VAL A 1 70 ? 7.282 -1.427 0.403 1.00 5.25 ? 70 VAL A C 1
996
+ ATOM 494 O O . VAL A 1 70 ? 6.826 -2.382 -0.223 1.00 5.06 ? 70 VAL A O 1
997
+ ATOM 495 C CB . VAL A 1 70 ? 6.741 0.614 -1.025 1.00 5.43 ? 70 VAL A CB 1
998
+ ATOM 496 C CG1 . VAL A 1 70 ? 5.608 0.949 -0.068 1.00 5.62 ? 70 VAL A CG1 1
999
+ ATOM 497 C CG2 . VAL A 1 70 ? 7.345 1.892 -1.587 1.00 5.66 ? 70 VAL A CG2 1
1000
+ ATOM 498 N N . GLN A 1 71 ? 7.355 -1.383 1.728 1.00 5.04 ? 71 GLN A N 1
1001
+ ATOM 499 C CA . GLN A 1 71 ? 7.115 -2.542 2.581 1.00 5.05 ? 71 GLN A CA 1
1002
+ ATOM 500 C C . GLN A 1 71 ? 6.377 -2.117 3.851 1.00 4.87 ? 71 GLN A C 1
1003
+ ATOM 501 O O . GLN A 1 71 ? 5.952 -0.966 3.973 1.00 4.80 ? 71 GLN A O 1
1004
+ ATOM 502 C CB . GLN A 1 71 ? 8.461 -3.185 2.946 1.00 5.13 ? 71 GLN A CB 1
1005
+ ATOM 503 C CG . GLN A 1 71 ? 9.335 -2.305 3.851 1.00 5.47 ? 71 GLN A CG 1
1006
+ ATOM 504 C CD . GLN A 1 71 ? 10.800 -2.711 3.884 1.00 5.90 ? 71 GLN A CD 1
1007
+ ATOM 505 O OE1 . GLN A 1 71 ? 11.172 -3.791 3.420 1.00 7.04 ? 71 GLN A OE1 1
1008
+ ATOM 506 N NE2 . GLN A 1 71 ? 11.636 -1.842 4.439 1.00 6.25 ? 71 GLN A NE2 1
1009
+ ATOM 507 N N . ILE A 1 72 ? 6.209 -3.051 4.785 1.00 4.85 ? 72 ILE A N 1
1010
+ ATOM 508 C CA . ILE A 1 72 ? 5.806 -2.705 6.147 1.00 4.99 ? 72 ILE A CA 1
1011
+ ATOM 509 C C . ILE A 1 72 ? 6.922 -2.996 7.142 1.00 5.06 ? 72 ILE A C 1
1012
+ ATOM 510 O O . ILE A 1 72 ? 7.720 -3.911 6.959 1.00 5.08 ? 72 ILE A O 1
1013
+ ATOM 511 C CB . ILE A 1 72 ? 4.499 -3.421 6.588 1.00 5.16 ? 72 ILE A CB 1
1014
+ ATOM 512 C CG1 . ILE A 1 72 ? 4.609 -4.946 6.454 1.00 5.52 ? 72 ILE A CG1 1
1015
+ ATOM 513 C CG2 . ILE A 1 72 ? 3.312 -2.867 5.811 1.00 5.30 ? 72 ILE A CG2 1
1016
+ ATOM 514 C CD1 . ILE A 1 72 ? 3.533 -5.704 7.224 1.00 5.99 ? 72 ILE A CD1 1
1017
+ ATOM 515 N N . TYR A 1 73 ? 6.971 -2.174 8.182 1.00 5.26 ? 73 TYR A N 1
1018
+ ATOM 516 C CA . TYR A 1 73 ? 7.814 -2.396 9.351 1.00 5.46 ? 73 TYR A CA 1
1019
+ ATOM 517 C C . TYR A 1 73 ? 7.102 -1.788 10.545 1.00 5.45 ? 73 TYR A C 1
1020
+ ATOM 518 O O . TYR A 1 73 ? 6.298 -0.873 10.392 1.00 5.43 ? 73 TYR A O 1
1021
+ ATOM 519 C CB . TYR A 1 73 ? 9.183 -1.725 9.189 1.00 5.70 ? 73 TYR A CB 1
1022
+ ATOM 520 C CG . TYR A 1 73 ? 10.328 -2.684 8.945 1.00 6.36 ? 73 TYR A CG 1
1023
+ ATOM 521 C CD1 . TYR A 1 73 ? 10.854 -2.865 7.670 1.00 7.04 ? 73 TYR A CD1 1
1024
+ ATOM 522 C CD2 . TYR A 1 73 ? 10.892 -3.404 9.995 1.00 6.74 ? 73 TYR A CD2 1
1025
+ ATOM 523 C CE1 . TYR A 1 73 ? 11.907 -3.743 7.444 1.00 7.35 ? 73 TYR A CE1 1
1026
+ ATOM 524 C CE2 . TYR A 1 73 ? 11.946 -4.286 9.780 1.00 7.22 ? 73 TYR A CE2 1
1027
+ ATOM 525 C CZ . TYR A 1 73 ? 12.448 -4.450 8.503 1.00 7.57 ? 73 TYR A CZ 1
1028
+ ATOM 526 O OH . TYR A 1 73 ? 13.491 -5.318 8.281 1.00 8.73 ? 73 TYR A OH 1
1029
+ ATOM 527 N N . SER A 1 74 ? 7.403 -2.276 11.741 1.00 5.50 ? 74 SER A N 1
1030
+ ATOM 528 C CA . SER A 1 74 ? 6.854 -1.666 12.944 1.00 5.73 ? 74 SER A CA 1
1031
+ ATOM 529 C C . SER A 1 74 ? 7.140 -0.164 12.946 1.00 5.81 ? 74 SER A C 1
1032
+ ATOM 530 O O . SER A 1 74 ? 8.226 0.265 12.562 1.00 5.72 ? 74 SER A O 1
1033
+ ATOM 531 C CB . SER A 1 74 ? 7.444 -2.312 14.193 1.00 5.87 ? 74 SER A CB 1
1034
+ ATOM 532 O OG . SER A 1 74 ? 7.079 -3.677 14.265 1.00 6.31 ? 74 SER A OG 1
1035
+ ATOM 533 N N . CYS A 1 75 ? 6.150 0.622 13.360 1.00 5.91 ? 75 CYS A N 1
1036
+ ATOM 534 C CA . CYS A 1 75 ? 6.277 2.076 13.423 1.00 6.20 ? 75 CYS A CA 1
1037
+ ATOM 535 C C . CYS A 1 75 ? 7.291 2.478 14.486 1.00 6.16 ? 75 CYS A C 1
1038
+ ATOM 536 O O . CYS A 1 75 ? 7.239 1.982 15.610 1.00 6.63 ? 75 CYS A O 1
1039
+ ATOM 537 C CB . CYS A 1 75 ? 4.932 2.720 13.758 1.00 6.19 ? 75 CYS A CB 1
1040
+ ATOM 538 S SG . CYS A 1 75 ? 3.626 2.413 12.552 1.00 6.98 ? 75 CYS A SG 1
1041
+ ATOM 539 N N . TRP A 1 76 ? 8.209 3.373 14.130 1.00 6.20 ? 76 TRP A N 1
1042
+ ATOM 540 C CA . TRP A 1 76 ? 9.217 3.859 15.076 1.00 6.26 ? 76 TRP A CA 1
1043
+ ATOM 541 C C . TRP A 1 76 ? 9.560 5.351 14.957 1.00 6.36 ? 76 TRP A C 1
1044
+ ATOM 542 O O . TRP A 1 76 ? 10.384 5.846 15.721 1.00 6.70 ? 76 TRP A O 1
1045
+ ATOM 543 C CB . TRP A 1 76 ? 10.497 3.024 14.955 1.00 6.22 ? 76 TRP A CB 1
1046
+ ATOM 544 C CG . TRP A 1 76 ? 11.174 3.145 13.633 1.00 5.89 ? 76 TRP A CG 1
1047
+ ATOM 545 C CD1 . TRP A 1 76 ? 10.875 2.454 12.498 1.00 5.50 ? 76 TRP A CD1 1
1048
+ ATOM 546 C CD2 . TRP A 1 76 ? 12.267 4.009 13.300 1.00 5.92 ? 76 TRP A CD2 1
1049
+ ATOM 547 N NE1 . TRP A 1 76 ? 11.713 2.836 11.479 1.00 5.31 ? 76 TRP A NE1 1
1050
+ ATOM 548 C CE2 . TRP A 1 76 ? 12.577 3.790 11.943 1.00 5.61 ? 76 TRP A CE2 1
1051
+ ATOM 549 C CE3 . TRP A 1 76 ? 13.016 4.954 14.011 1.00 6.43 ? 76 TRP A CE3 1
1052
+ ATOM 550 C CZ2 . TRP A 1 76 ? 13.602 4.470 11.284 1.00 6.07 ? 76 TRP A CZ2 1
1053
+ ATOM 551 C CZ3 . TRP A 1 76 ? 14.034 5.631 13.357 1.00 6.53 ? 76 TRP A CZ3 1
1054
+ ATOM 552 C CH2 . TRP A 1 76 ? 14.318 5.385 12.006 1.00 6.48 ? 76 TRP A CH2 1
1055
+ ATOM 553 N N . GLY A 1 77 ? 8.946 6.059 14.008 1.00 6.46 ? 77 GLY A N 1
1056
+ ATOM 554 C CA . GLY A 1 77 ? 9.131 7.496 13.862 1.00 6.51 ? 77 GLY A CA 1
1057
+ ATOM 555 C C . GLY A 1 77 ? 10.094 7.928 12.768 1.00 6.50 ? 77 GLY A C 1
1058
+ ATOM 556 O O . GLY A 1 77 ? 10.393 9.113 12.651 1.00 7.02 ? 77 GLY A O 1
1059
+ ATOM 557 N N . GLY A 1 78 ? 10.576 6.984 11.963 1.00 6.31 ? 78 GLY A N 1
1060
+ ATOM 558 C CA . GLY A 1 78 ? 11.492 7.301 10.879 1.00 6.19 ? 78 GLY A CA 1
1061
+ ATOM 559 C C . GLY A 1 78 ? 10.838 8.164 9.815 1.00 6.04 ? 78 GLY A C 1
1062
+ ATOM 560 O O . GLY A 1 78 ? 9.641 8.043 9.570 1.00 5.90 ? 78 GLY A O 1
1063
+ ATOM 561 N N . ASP A 1 79 ? 11.617 9.037 9.182 1.00 5.81 ? 79 ASP A N 1
1064
+ ATOM 562 C CA . ASP A 1 79 ? 11.109 9.883 8.097 1.00 5.73 ? 79 ASP A CA 1
1065
+ ATOM 563 C C . ASP A 1 79 ? 10.735 9.068 6.858 1.00 5.43 ? 79 ASP A C 1
1066
+ ATOM 564 O O . ASP A 1 79 ? 9.941 9.518 6.032 1.00 5.30 ? 79 ASP A O 1
1067
+ ATOM 565 C CB . ASP A 1 79 ? 12.137 10.947 7.699 1.00 5.87 ? 79 ASP A CB 1
1068
+ ATOM 566 C CG . ASP A 1 79 ? 12.434 11.926 8.813 1.00 6.86 ? 79 ASP A CG 1
1069
+ ATOM 567 O OD1 . ASP A 1 79 ? 11.533 12.206 9.633 1.00 7.90 ? 79 ASP A OD1 1
1070
+ ATOM 568 O OD2 . ASP A 1 79 ? 13.552 12.469 8.935 1.00 7.84 ? 79 ASP A OD2 1
1071
+ ATOM 569 N N . ASN A 1 80 ? 11.334 7.886 6.729 1.00 5.23 ? 80 ASN A N 1
1072
+ ATOM 570 C CA . ASN A 1 80 ? 10.985 6.931 5.675 1.00 5.11 ? 80 ASN A CA 1
1073
+ ATOM 571 C C . ASN A 1 80 ? 9.664 6.197 5.939 1.00 4.91 ? 80 ASN A C 1
1074
+ ATOM 572 O O . ASN A 1 80 ? 9.243 5.369 5.136 1.00 4.85 ? 80 ASN A O 1
1075
+ ATOM 573 C CB . ASN A 1 80 ? 12.118 5.917 5.461 1.00 5.08 ? 80 ASN A CB 1
1076
+ ATOM 574 C CG . ASN A 1 80 ? 12.384 5.060 6.687 1.00 5.28 ? 80 ASN A CG 1
1077
+ ATOM 575 O OD1 . ASN A 1 80 ? 12.480 5.563 7.806 1.00 5.92 ? 80 ASN A OD1 1
1078
+ ATOM 576 N ND2 . ASN A 1 80 ? 12.518 3.757 6.475 1.00 5.40 ? 80 ASN A ND2 1
1079
+ ATOM 577 N N . GLN A 1 81 ? 9.025 6.495 7.067 1.00 4.79 ? 81 GLN A N 1
1080
+ ATOM 578 C CA . GLN A 1 81 ? 7.680 6.009 7.367 1.00 4.92 ? 81 GLN A CA 1
1081
+ ATOM 579 C C . GLN A 1 81 ? 6.648 7.139 7.307 1.00 4.93 ? 81 GLN A C 1
1082
+ ATOM 580 O O . GLN A 1 81 ? 5.517 6.978 7.765 1.00 4.99 ? 81 GLN A O 1
1083
+ ATOM 581 C CB . GLN A 1 81 ? 7.656 5.351 8.746 1.00 5.01 ? 81 GLN A CB 1
1084
+ ATOM 582 C CG . GLN A 1 81 ? 8.577 4.150 8.848 1.00 5.22 ? 81 GLN A CG 1
1085
+ ATOM 583 C CD . GLN A 1 81 ? 8.388 3.368 10.129 1.00 5.78 ? 81 GLN A CD 1
1086
+ ATOM 584 O OE1 . GLN A 1 81 ? 8.104 3.947 11.175 1.00 6.62 ? 81 GLN A OE1 1
1087
+ ATOM 585 N NE2 . GLN A 1 81 ? 8.552 2.055 10.053 1.00 5.73 ? 81 GLN A NE2 1
1088
+ ATOM 586 N N . LYS A 1 82 ? 7.042 8.277 6.737 1.00 4.89 ? 82 LYS A N 1
1089
+ ATOM 587 C CA . LYS A 1 82 ? 6.154 9.425 6.589 1.00 5.05 ? 82 LYS A CA 1
1090
+ ATOM 588 C C . LYS A 1 82 ? 5.799 9.630 5.120 1.00 5.09 ? 82 LYS A C 1
1091
+ ATOM 589 O O . LYS A 1 82 ? 6.636 9.457 4.234 1.00 4.97 ? 82 LYS A O 1
1092
+ ATOM 590 C CB . LYS A 1 82 ? 6.796 10.683 7.168 1.00 5.13 ? 82 LYS A CB 1
1093
+ ATOM 591 C CG . LYS A 1 82 ? 7.148 10.564 8.640 1.00 5.58 ? 82 LYS A CG 1
1094
+ ATOM 592 C CD . LYS A 1 82 ? 7.690 11.875 9.184 1.00 5.98 ? 82 LYS A CD 1
1095
+ ATOM 593 C CE . LYS A 1 82 ? 8.236 11.715 10.593 1.00 6.45 ? 82 LYS A CE 1
1096
+ ATOM 594 N NZ . LYS A 1 82 ? 9.313 10.941 10.766 0.00 16.33 ? 82 LYS A NZ 1
1097
+ ATOM 595 N N . TRP A 1 83 ? 4.547 10.010 4.884 1.00 5.38 ? 83 TRP A N 1
1098
+ ATOM 596 C CA . TRP A 1 83 ? 3.955 10.047 3.550 1.00 5.61 ? 83 TRP A CA 1
1099
+ ATOM 597 C C . TRP A 1 83 ? 2.980 11.209 3.433 1.00 6.06 ? 83 TRP A C 1
1100
+ ATOM 598 O O . TRP A 1 83 ? 2.332 11.588 4.410 1.00 6.42 ? 83 TRP A O 1
1101
+ ATOM 599 C CB . TRP A 1 83 ? 3.204 8.743 3.265 1.00 5.57 ? 83 TRP A CB 1
1102
+ ATOM 600 C CG . TRP A 1 83 ? 4.056 7.541 3.435 1.00 5.25 ? 83 TRP A CG 1
1103
+ ATOM 601 C CD1 . TRP A 1 83 ? 4.233 6.824 4.578 1.00 5.09 ? 83 TRP A CD1 1
1104
+ ATOM 602 C CD2 . TRP A 1 83 ? 4.884 6.927 2.443 1.00 4.96 ? 83 TRP A CD2 1
1105
+ ATOM 603 N NE1 . TRP A 1 83 ? 5.114 5.793 4.358 1.00 5.13 ? 83 TRP A NE1 1
1106
+ ATOM 604 C CE2 . TRP A 1 83 ? 5.530 5.833 3.055 1.00 4.98 ? 83 TRP A CE2 1
1107
+ ATOM 605 C CE3 . TRP A 1 83 ? 5.142 7.187 1.090 1.00 5.15 ? 83 TRP A CE3 1
1108
+ ATOM 606 C CZ2 . TRP A 1 83 ? 6.412 5.000 2.364 1.00 5.21 ? 83 TRP A CZ2 1
1109
+ ATOM 607 C CZ3 . TRP A 1 83 ? 6.019 6.360 0.405 1.00 5.50 ? 83 TRP A CZ3 1
1110
+ ATOM 608 C CH2 . TRP A 1 83 ? 6.644 5.280 1.044 1.00 5.29 ? 83 TRP A CH2 1
1111
+ ATOM 609 N N . ARG A 1 84 ? 2.873 11.761 2.231 1.00 6.40 ? 84 ARG A N 1
1112
+ ATOM 610 C CA . ARG A 1 84 ? 1.930 12.837 1.954 1.00 6.83 ? 84 ARG A CA 1
1113
+ ATOM 611 C C . ARG A 1 84 ? 1.129 12.555 0.699 1.00 6.72 ? 84 ARG A C 1
1114
+ ATOM 612 O O . ARG A 1 84 ? 1.692 12.277 -0.357 1.00 6.77 ? 84 ARG A O 1
1115
+ ATOM 613 C CB . ARG A 1 84 ? 2.660 14.165 1.792 1.00 7.25 ? 84 ARG A CB 1
1116
+ ATOM 614 C CG . ARG A 1 84 ? 3.154 14.738 3.091 1.00 8.35 ? 84 ARG A CG 1
1117
+ ATOM 615 C CD . ARG A 1 84 ? 3.490 16.203 3.012 1.00 9.42 ? 84 ARG A CD 1
1118
+ ATOM 616 N NE . ARG A 1 84 ? 2.680 16.987 2.331 0.00 18.65 ? 84 ARG A NE 1
1119
+ ATOM 617 C CZ . ARG A 1 84 ? 2.808 18.289 2.125 0.00 21.18 ? 84 ARG A CZ 1
1120
+ ATOM 618 N NH1 . ARG A 1 84 ? 3.912 18.919 2.503 0.00 21.97 ? 84 ARG A NH1 1
1121
+ ATOM 619 N NH2 . ARG A 1 84 ? 1.828 18.969 1.543 0.00 22.34 ? 84 ARG A NH2 1
1122
+ ATOM 620 N N . LEU A 1 85 ? -0.190 12.633 0.826 1.00 6.68 ? 85 LEU A N 1
1123
+ ATOM 621 C CA . LEU A 1 85 ? -1.085 12.567 -0.314 1.00 6.78 ? 85 LEU A CA 1
1124
+ ATOM 622 C C . LEU A 1 85 ? -1.236 13.974 -0.876 1.00 7.01 ? 85 LEU A C 1
1125
+ ATOM 623 O O . LEU A 1 85 ? -1.610 14.899 -0.156 1.00 6.84 ? 85 LEU A O 1
1126
+ ATOM 624 C CB . LEU A 1 85 ? -2.444 12.011 0.106 1.00 6.76 ? 85 LEU A CB 1
1127
+ ATOM 625 C CG . LEU A 1 85 ? -3.505 11.923 -0.993 1.00 7.07 ? 85 LEU A CG 1
1128
+ ATOM 626 C CD1 . LEU A 1 85 ? -3.110 10.935 -2.080 1.00 7.22 ? 85 LEU A CD1 1
1129
+ ATOM 627 C CD2 . LEU A 1 85 ? -4.843 11.541 -0.391 1.00 7.36 ? 85 LEU A CD2 1
1130
+ ATOM 628 N N . ASN A 1 86 ? -0.931 14.133 -2.158 1.00 7.32 ? 86 ASN A N 1
1131
+ ATOM 629 C CA . ASN A 1 86 ? -1.008 15.429 -2.819 1.00 7.71 ? 86 ASN A CA 1
1132
+ ATOM 630 C C . ASN A 1 86 ? -2.263 15.549 -3.673 1.00 7.65 ? 86 ASN A C 1
1133
+ ATOM 631 O O . ASN A 1 86 ? -2.935 14.559 -3.947 1.00 7.33 ? 86 ASN A O 1
1134
+ ATOM 632 C CB . ASN A 1 86 ? 0.244 15.663 -3.666 1.00 8.08 ? 86 ASN A CB 1
1135
+ ATOM 633 C CG . ASN A 1 86 ? 1.497 15.798 -2.821 1.00 9.27 ? 86 ASN A CG 1
1136
+ ATOM 634 O OD1 . ASN A 1 86 ? 1.517 16.531 -1.832 1.00 11.14 ? 86 ASN A OD1 1
1137
+ ATOM 635 N ND2 . ASN A 1 86 ? 2.550 15.091 -3.206 1.00 10.58 ? 86 ASN A ND2 1
1138
+ ATOM 636 N N . SER A 1 87 ? -2.563 16.779 -4.084 1.00 7.72 ? 87 SER A N 1
1139
+ ATOM 637 C CA . SER A 1 87 ? -3.762 17.089 -4.863 1.00 7.83 ? 87 SER A CA 1
1140
+ ATOM 638 C C . SER A 1 87 ? -3.773 16.447 -6.254 1.00 7.52 ? 87 SER A C 1
1141
+ ATOM 639 O O . SER A 1 87 ? -4.835 16.292 -6.855 1.00 7.61 ? 87 SER A O 1
1142
+ ATOM 640 C CB . SER A 1 87 ? -3.930 18.607 -4.989 1.00 8.02 ? 87 SER A CB 1
1143
+ ATOM 641 O OG . SER A 1 87 ? -4.258 19.179 -3.736 1.00 9.48 ? 87 SER A OG 1
1144
+ ATOM 642 N N . ASP A 1 88 ? -2.599 16.075 -6.758 1.00 7.19 ? 88 ASP A N 1
1145
+ ATOM 643 C CA . ASP A 1 88 ? -2.497 15.369 -8.039 1.00 7.05 ? 88 ASP A CA 1
1146
+ ATOM 644 C C . ASP A 1 88 ? -2.628 13.843 -7.889 1.00 6.64 ? 88 ASP A C 1
1147
+ ATOM 645 O O . ASP A 1 88 ? -2.411 13.106 -8.846 1.00 6.79 ? 88 ASP A O 1
1148
+ ATOM 646 C CB . ASP A 1 88 ? -1.193 15.736 -8.765 1.00 7.19 ? 88 ASP A CB 1
1149
+ ATOM 647 C CG . ASP A 1 88 ? 0.054 15.272 -8.027 1.00 7.62 ? 88 ASP A CG 1
1150
+ ATOM 648 O OD1 . ASP A 1 88 ? 1.167 15.530 -8.531 1.00 8.29 ? 88 ASP A OD1 1
1151
+ ATOM 649 O OD2 . ASP A 1 88 ? 0.023 14.651 -6.946 1.00 8.13 ? 88 ASP A OD2 1
1152
+ ATOM 650 N N . GLY A 1 89 ? -2.981 13.381 -6.689 1.00 6.26 ? 89 GLY A N 1
1153
+ ATOM 651 C CA . GLY A 1 89 ? -3.188 11.967 -6.423 1.00 6.05 ? 89 GLY A CA 1
1154
+ ATOM 652 C C . GLY A 1 89 ? -1.937 11.192 -6.039 1.00 5.76 ? 89 GLY A C 1
1155
+ ATOM 653 O O . GLY A 1 89 ? -2.016 10.003 -5.724 1.00 5.64 ? 89 GLY A O 1
1156
+ ATOM 654 N N . SER A 1 90 ? -0.782 11.849 -6.051 1.00 5.64 ? 90 SER A N 1
1157
+ ATOM 655 C CA . SER A 1 90 ? 0.467 11.179 -5.709 1.00 5.69 ? 90 SER A CA 1
1158
+ ATOM 656 C C . SER A 1 90 ? 0.557 10.937 -4.205 1.00 5.33 ? 90 SER A C 1
1159
+ ATOM 657 O O . SER A 1 90 ? 0.052 11.725 -3.410 1.00 5.27 ? 90 SER A O 1
1160
+ ATOM 658 C CB . SER A 1 90 ? 1.676 11.992 -6.188 1.00 5.89 ? 90 SER A CB 1
1161
+ ATOM 659 O OG . SER A 1 90 ? 1.770 13.246 -5.536 1.00 7.03 ? 90 SER A OG 1
1162
+ ATOM 660 N N . VAL A 1 91 ? 1.174 9.823 -3.828 1.00 5.17 ? 91 VAL A N 1
1163
+ ATOM 661 C CA . VAL A 1 91 ? 1.533 9.558 -2.441 1.00 5.11 ? 91 VAL A CA 1
1164
+ ATOM 662 C C . VAL A 1 91 ? 3.053 9.581 -2.386 1.00 5.08 ? 91 VAL A C 1
1165
+ ATOM 663 O O . VAL A 1 91 ? 3.711 8.689 -2.909 1.00 5.06 ? 91 VAL A O 1
1166
+ ATOM 664 C CB . VAL A 1 91 ? 0.976 8.213 -1.943 1.00 5.19 ? 91 VAL A CB 1
1167
+ ATOM 665 C CG1 . VAL A 1 91 ? 1.474 7.906 -0.531 1.00 5.06 ? 91 VAL A CG1 1
1168
+ ATOM 666 C CG2 . VAL A 1 91 ? -0.547 8.237 -1.971 1.00 5.19 ? 91 VAL A CG2 1
1169
+ ATOM 667 N N . VAL A 1 92 ? 3.597 10.614 -1.754 1.00 5.16 ? 92 VAL A N 1
1170
+ ATOM 668 C CA . VAL A 1 92 ? 5.019 10.914 -1.811 1.00 5.37 ? 92 VAL A CA 1
1171
+ ATOM 669 C C . VAL A 1 92 ? 5.672 10.620 -0.466 1.00 5.22 ? 92 VAL A C 1
1172
+ ATOM 670 O O . VAL A 1 92 ? 5.183 11.054 0.572 1.00 5.35 ? 92 VAL A O 1
1173
+ ATOM 671 C CB . VAL A 1 92 ? 5.235 12.399 -2.176 1.00 5.61 ? 92 VAL A CB 1
1174
+ ATOM 672 C CG1 . VAL A 1 92 ? 6.717 12.750 -2.199 1.00 6.11 ? 92 VAL A CG1 1
1175
+ ATOM 673 C CG2 . VAL A 1 92 ? 4.591 12.714 -3.522 1.00 5.96 ? 92 VAL A CG2 1
1176
+ ATOM 674 N N . GLY A 1 93 ? 6.776 9.881 -0.489 1.00 5.05 ? 93 GLY A N 1
1177
+ ATOM 675 C CA . GLY A 1 93 ? 7.562 9.644 0.707 1.00 5.17 ? 93 GLY A CA 1
1178
+ ATOM 676 C C . GLY A 1 93 ? 8.204 10.941 1.155 1.00 5.32 ? 93 GLY A C 1
1179
+ ATOM 677 O O . GLY A 1 93 ? 8.837 11.631 0.359 1.00 5.67 ? 93 GLY A O 1
1180
+ ATOM 678 N N . VAL A 1 94 ? 8.029 11.284 2.425 1.00 5.44 ? 94 VAL A N 1
1181
+ ATOM 679 C CA . VAL A 1 94 ? 8.524 12.551 2.953 1.00 5.70 ? 94 VAL A CA 1
1182
+ ATOM 680 C C . VAL A 1 94 ? 10.051 12.627 2.889 1.00 5.69 ? 94 VAL A C 1
1183
+ ATOM 681 O O . VAL A 1 94 ? 10.603 13.643 2.473 1.00 5.83 ? 94 VAL A O 1
1184
+ ATOM 682 C CB . VAL A 1 94 ? 8.007 12.794 4.392 1.00 5.93 ? 94 VAL A CB 1
1185
+ ATOM 683 C CG1 . VAL A 1 94 ? 8.787 13.903 5.096 1.00 6.25 ? 94 VAL A CG1 1
1186
+ ATOM 684 C CG2 . VAL A 1 94 ? 6.521 13.128 4.364 1.00 6.13 ? 94 VAL A CG2 1
1187
+ ATOM 685 N N . GLN A 1 95 ? 10.732 11.554 3.279 1.00 5.59 ? 95 GLN A N 1
1188
+ ATOM 686 C CA . GLN A 1 95 ? 12.194 11.537 3.254 1.00 5.60 ? 95 GLN A CA 1
1189
+ ATOM 687 C C . GLN A 1 95 ? 12.764 11.657 1.836 1.00 5.45 ? 95 GLN A C 1
1190
+ ATOM 688 O O . GLN A 1 95 ? 13.644 12.478 1.580 1.00 5.59 ? 95 GLN A O 1
1191
+ ATOM 689 C CB . GLN A 1 95 ? 12.727 10.264 3.912 1.00 5.72 ? 95 GLN A CB 1
1192
+ ATOM 690 C CG . GLN A 1 95 ? 14.244 10.151 3.891 1.00 6.22 ? 95 GLN A CG 1
1193
+ ATOM 691 C CD . GLN A 1 95 ? 14.736 8.916 4.599 1.00 6.31 ? 95 GLN A CD 1
1194
+ ATOM 692 O OE1 . GLN A 1 95 ? 14.618 7.808 4.076 1.00 6.77 ? 95 GLN A OE1 1
1195
+ ATOM 693 N NE2 . GLN A 1 95 ? 15.297 9.098 5.791 1.00 6.77 ? 95 GLN A NE2 1
1196
+ ATOM 694 N N . SER A 1 96 ? 12.250 10.838 0.922 1.00 5.26 ? 96 SER A N 1
1197
+ ATOM 695 C CA . SER A 1 96 ? 12.852 10.665 -0.403 1.00 5.25 ? 96 SER A CA 1
1198
+ ATOM 696 C C . SER A 1 96 ? 12.338 11.637 -1.464 1.00 5.28 ? 96 SER A C 1
1199
+ ATOM 697 O O . SER A 1 96 ? 13.036 11.919 -2.437 1.00 5.48 ? 96 SER A O 1
1200
+ ATOM 698 C CB . SER A 1 96 ? 12.621 9.234 -0.900 1.00 5.17 ? 96 SER A CB 1
1201
+ ATOM 699 O OG . SER A 1 96 ? 11.242 8.981 -1.129 1.00 5.56 ? 96 SER A OG 1
1202
+ ATOM 700 N N . GLY A 1 97 ? 11.117 12.132 -1.289 1.00 5.26 ? 97 GLY A N 1
1203
+ ATOM 701 C CA . GLY A 1 97 ? 10.444 12.898 -2.325 1.00 5.36 ? 97 GLY A CA 1
1204
+ ATOM 702 C C . GLY A 1 97 ? 9.992 12.072 -3.523 1.00 5.41 ? 97 GLY A C 1
1205
+ ATOM 703 O O . GLY A 1 97 ? 9.570 12.636 -4.534 1.00 5.77 ? 97 GLY A O 1
1206
+ ATOM 704 N N . LEU A 1 98 ? 10.065 10.745 -3.411 1.00 5.32 ? 98 LEU A N 1
1207
+ ATOM 705 C CA . LEU A 1 98 ? 9.659 9.844 -4.487 1.00 5.31 ? 98 LEU A CA 1
1208
+ ATOM 706 C C . LEU A 1 98 ? 8.228 9.363 -4.288 1.00 5.18 ? 98 LEU A C 1
1209
+ ATOM 707 O O . LEU A 1 98 ? 7.705 9.388 -3.180 1.00 5.19 ? 98 LEU A O 1
1210
+ ATOM 708 C CB . LEU A 1 98 ? 10.603 8.642 -4.573 1.00 5.39 ? 98 LEU A CB 1
1211
+ ATOM 709 C CG . LEU A 1 98 ? 12.076 8.959 -4.855 1.00 5.75 ? 98 LEU A CG 1
1212
+ ATOM 710 C CD1 . LEU A 1 98 ? 12.879 7.671 -4.916 1.00 5.97 ? 98 LEU A CD1 1
1213
+ ATOM 711 C CD2 . LEU A 1 98 ? 12.257 9.755 -6.144 1.00 6.30 ? 98 LEU A CD2 1
1214
+ ATOM 712 N N . CYS A 1 99 ? 7.614 8.922 -5.381 1.00 4.96 ? 99 CYS A N 1
1215
+ ATOM 713 C CA . CYS A 1 99 ? 6.206 8.529 -5.410 1.00 5.10 ? 99 CYS A CA 1
1216
+ ATOM 714 C C . CYS A 1 99 ? 5.982 7.031 -5.247 1.00 4.92 ? 99 CYS A C 1
1217
+ ATOM 715 O O . CYS A 1 99 ? 6.752 6.217 -5.751 1.00 4.69 ? 99 CYS A O 1
1218
+ ATOM 716 C CB . CYS A 1 99 ? 5.577 8.956 -6.740 1.00 5.21 ? 99 CYS A CB 1
1219
+ ATOM 717 S SG . CYS A 1 99 ? 5.066 10.681 -6.810 1.00 6.37 ? 99 CYS A SG 1
1220
+ ATOM 718 N N . LEU A 1 100 ? 4.900 6.675 -4.559 1.00 4.85 ? 100 LEU A N 1
1221
+ ATOM 719 C CA . LEU A 1 100 ? 4.386 5.310 -4.579 1.00 5.11 ? 100 LEU A CA 1
1222
+ ATOM 720 C C . LEU A 1 100 ? 4.052 4.947 -6.018 1.00 4.83 ? 100 LEU A C 1
1223
+ ATOM 721 O O . LEU A 1 100 ? 3.349 5.692 -6.703 1.00 4.82 ? 100 LEU A O 1
1224
+ ATOM 722 C CB . LEU A 1 100 ? 3.122 5.184 -3.728 1.00 5.65 ? 100 LEU A CB 1
1225
+ ATOM 723 C CG . LEU A 1 100 ? 3.189 5.063 -2.206 1.00 6.88 ? 100 LEU A CG 1
1226
+ ATOM 724 C CD1 . LEU A 1 100 ? 1.821 4.598 -1.721 1.00 7.47 ? 100 LEU A CD1 1
1227
+ ATOM 725 C CD2 . LEU A 1 100 ? 4.270 4.102 -1.736 1.00 7.81 ? 100 LEU A CD2 1
1228
+ ATOM 726 N N . ASP A 1 101 ? 4.533 3.789 -6.455 1.00 4.48 ? 101 ASP A N 1
1229
+ ATOM 727 C CA . ASP A 1 101 ? 4.583 3.451 -7.871 1.00 4.44 ? 101 ASP A CA 1
1230
+ ATOM 728 C C . ASP A 1 101 ? 4.335 1.955 -8.072 1.00 4.32 ? 101 ASP A C 1
1231
+ ATOM 729 O O . ASP A 1 101 ? 5.012 1.123 -7.474 1.00 4.09 ? 101 ASP A O 1
1232
+ ATOM 730 C CB . ASP A 1 101 ? 5.961 3.865 -8.408 1.00 4.47 ? 101 ASP A CB 1
1233
+ ATOM 731 C CG . ASP A 1 101 ? 6.150 3.568 -9.886 1.00 4.62 ? 101 ASP A CG 1
1234
+ ATOM 732 O OD1 . ASP A 1 101 ? 6.299 2.379 -10.258 1.00 4.87 ? 101 ASP A OD1 1
1235
+ ATOM 733 O OD2 . ASP A 1 101 ? 6.217 4.477 -10.743 1.00 5.02 ? 101 ASP A OD2 1
1236
+ ATOM 734 N N . ALA A 1 102 ? 3.355 1.616 -8.907 1.00 4.22 ? 102 ALA A N 1
1237
+ ATOM 735 C CA . ALA A 1 102 ? 3.107 0.223 -9.265 1.00 4.49 ? 102 ALA A CA 1
1238
+ ATOM 736 C C . ALA A 1 102 ? 4.113 -0.174 -10.343 1.00 4.62 ? 102 ALA A C 1
1239
+ ATOM 737 O O . ALA A 1 102 ? 4.095 0.362 -11.452 1.00 4.71 ? 102 ALA A O 1
1240
+ ATOM 738 C CB . ALA A 1 102 ? 1.678 0.026 -9.742 1.00 4.70 ? 102 ALA A CB 1
1241
+ ATOM 739 N N . VAL A 1 103 ? 4.991 -1.107 -9.990 1.00 4.85 ? 103 VAL A N 1
1242
+ ATOM 740 C CA . VAL A 1 103 ? 6.169 -1.462 -10.785 1.00 5.24 ? 103 VAL A CA 1
1243
+ ATOM 741 C C . VAL A 1 103 ? 5.833 -1.835 -12.228 1.00 5.25 ? 103 VAL A C 1
1244
+ ATOM 742 O O . VAL A 1 103 ? 4.946 -2.645 -12.477 1.00 5.40 ? 103 VAL A O 1
1245
+ ATOM 743 C CB . VAL A 1 103 ? 6.933 -2.655 -10.141 1.00 5.53 ? 103 VAL A CB 1
1246
+ ATOM 744 C CG1 . VAL A 1 103 ? 8.048 -3.160 -11.052 1.00 6.17 ? 103 VAL A CG1 1
1247
+ ATOM 745 C CG2 . VAL A 1 103 ? 7.509 -2.271 -8.784 1.00 5.94 ? 103 VAL A CG2 1
1248
+ ATOM 746 N N . GLY A 1 104 ? 6.566 -1.252 -13.171 1.00 5.43 ? 104 GLY A N 1
1249
+ ATOM 747 C CA . GLY A 1 104 ? 6.413 -1.574 -14.580 1.00 5.54 ? 104 GLY A CA 1
1250
+ ATOM 748 C C . GLY A 1 104 ? 5.119 -1.096 -15.212 1.00 5.74 ? 104 GLY A C 1
1251
+ ATOM 749 O O . GLY A 1 104 ? 4.756 -1.562 -16.290 1.00 5.84 ? 104 GLY A O 1
1252
+ ATOM 750 N N . ASN A 1 105 ? 4.436 -0.161 -14.552 1.00 5.92 ? 105 ASN A N 1
1253
+ ATOM 751 C CA . ASN A 1 105 ? 3.084 0.257 -14.929 1.00 6.16 ? 105 ASN A CA 1
1254
+ ATOM 752 C C . ASN A 1 105 ? 2.085 -0.908 -14.892 1.00 6.01 ? 105 ASN A C 1
1255
+ ATOM 753 O O . ASN A 1 105 ? 1.096 -0.921 -15.626 1.00 6.17 ? 105 ASN A O 1
1256
+ ATOM 754 C CB . ASN A 1 105 ? 3.082 0.938 -16.306 1.00 6.44 ? 105 ASN A CB 1
1257
+ ATOM 755 C CG . ASN A 1 105 ? 1.822 1.754 -16.556 1.00 7.12 ? 105 ASN A CG 1
1258
+ ATOM 756 O OD1 . ASN A 1 105 ? 1.258 2.349 -15.638 1.00 7.51 ? 105 ASN A OD1 1
1259
+ ATOM 757 N ND2 . ASN A 1 105 ? 1.377 1.784 -17.808 1.00 8.36 ? 105 ASN A ND2 1
1260
+ ATOM 758 N N . GLY A 1 106 ? 2.344 -1.875 -14.017 1.00 5.84 ? 106 GLY A N 1
1261
+ ATOM 759 C CA . GLY A 1 106 ? 1.472 -3.023 -13.855 1.00 5.80 ? 106 GLY A CA 1
1262
+ ATOM 760 C C . GLY A 1 106 ? 0.146 -2.643 -13.220 1.00 5.81 ? 106 GLY A C 1
1263
+ ATOM 761 O O . GLY A 1 106 ? 0.070 -1.706 -12.423 1.00 5.71 ? 106 GLY A O 1
1264
+ ATOM 762 N N . THR A 1 107 ? -0.904 -3.364 -13.602 1.00 5.93 ? 107 THR A N 1
1265
+ ATOM 763 C CA . THR A 1 107 ? -2.243 -3.180 -13.037 1.00 5.95 ? 107 THR A CA 1
1266
+ ATOM 764 C C . THR A 1 107 ? -2.821 -4.440 -12.393 1.00 5.89 ? 107 THR A C 1
1267
+ ATOM 765 O O . THR A 1 107 ? -3.805 -4.353 -11.666 1.00 5.97 ? 107 THR A O 1
1268
+ ATOM 766 C CB . THR A 1 107 ? -3.227 -2.710 -14.127 1.00 6.08 ? 107 THR A CB 1
1269
+ ATOM 767 O OG1 . THR A 1 107 ? -3.192 -3.610 -15.243 1.00 6.81 ? 107 THR A OG1 1
1270
+ ATOM 768 C CG2 . THR A 1 107 ? -2.818 -1.360 -14.700 1.00 6.07 ? 107 THR A CG2 1
1271
+ ATOM 769 N N . ALA A 1 108 ? -2.218 -5.595 -12.661 1.00 5.81 ? 108 ALA A N 1
1272
+ ATOM 770 C CA . ALA A 1 108 ? -2.767 -6.883 -12.250 1.00 5.84 ? 108 ALA A CA 1
1273
+ ATOM 771 C C . ALA A 1 108 ? -2.569 -7.156 -10.764 1.00 5.76 ? 108 ALA A C 1
1274
+ ATOM 772 O O . ALA A 1 108 ? -1.702 -6.560 -10.122 1.00 5.49 ? 108 ALA A O 1
1275
+ ATOM 773 C CB . ALA A 1 108 ? -2.120 -7.992 -13.062 1.00 5.84 ? 108 ALA A CB 1
1276
+ ATOM 774 N N . ASN A 1 109 ? -3.385 -8.060 -10.226 1.00 5.83 ? 109 ASN A N 1
1277
+ ATOM 775 C CA . ASN A 1 109 ? -3.142 -8.656 -8.917 1.00 6.01 ? 109 ASN A CA 1
1278
+ ATOM 776 C C . ASN A 1 109 ? -1.690 -9.101 -8.801 1.00 5.96 ? 109 ASN A C 1
1279
+ ATOM 777 O O . ASN A 1 109 ? -1.177 -9.783 -9.687 1.00 6.12 ? 109 ASN A O 1
1280
+ ATOM 778 C CB . ASN A 1 109 ? -4.040 -9.884 -8.694 1.00 6.20 ? 109 ASN A CB 1
1281
+ ATOM 779 C CG . ASN A 1 109 ? -5.442 -9.525 -8.248 1.00 6.68 ? 109 ASN A CG 1
1282
+ ATOM 780 O OD1 . ASN A 1 109 ? -5.658 -8.508 -7.598 1.00 7.36 ? 109 ASN A OD1 1
1283
+ ATOM 781 N ND2 . ASN A 1 109 ? -6.405 -10.382 -8.578 1.00 7.37 ? 109 ASN A ND2 1
1284
+ ATOM 782 N N . GLY A 1 110 ? -1.035 -8.705 -7.714 1.00 5.74 ? 110 GLY A N 1
1285
+ ATOM 783 C CA . GLY A 1 110 ? 0.329 -9.119 -7.438 1.00 5.65 ? 110 GLY A CA 1
1286
+ ATOM 784 C C . GLY A 1 110 ? 1.407 -8.155 -7.906 1.00 5.52 ? 110 GLY A C 1
1287
+ ATOM 785 O O . GLY A 1 110 ? 2.583 -8.376 -7.620 1.00 5.50 ? 110 GLY A O 1
1288
+ ATOM 786 N N . THR A 1 111 ? 1.022 -7.101 -8.626 1.00 5.20 ? 111 THR A N 1
1289
+ ATOM 787 C CA . THR A 1 111 ? 1.963 -6.061 -9.047 1.00 5.17 ? 111 THR A CA 1
1290
+ ATOM 788 C C . THR A 1 111 ? 2.623 -5.462 -7.815 1.00 5.16 ? 111 THR A C 1
1291
+ ATOM 789 O O . THR A 1 111 ? 1.936 -5.014 -6.909 1.00 5.13 ? 111 THR A O 1
1292
+ ATOM 790 C CB . THR A 1 111 ? 1.237 -4.936 -9.816 1.00 5.09 ? 111 THR A CB 1
1293
+ ATOM 791 O OG1 . THR A 1 111 ? 0.629 -5.454 -11.008 1.00 5.17 ? 111 THR A OG1 1
1294
+ ATOM 792 C CG2 . THR A 1 111 ? 2.223 -3.881 -10.329 1.00 5.25 ? 111 THR A CG2 1
1295
+ ATOM 793 N N . LEU A 1 112 ? 3.951 -5.447 -7.782 1.00 5.20 ? 112 LEU A N 1
1296
+ ATOM 794 C CA . LEU A 1 112 ? 4.669 -4.950 -6.613 1.00 5.37 ? 112 LEU A CA 1
1297
+ ATOM 795 C C . LEU A 1 112 ? 4.696 -3.428 -6.568 1.00 5.09 ? 112 LEU A C 1
1298
+ ATOM 796 O O . LEU A 1 112 ? 4.523 -2.764 -7.587 1.00 4.80 ? 112 LEU A O 1
1299
+ ATOM 797 C CB . LEU A 1 112 ? 6.089 -5.522 -6.572 1.00 5.65 ? 112 LEU A CB 1
1300
+ ATOM 798 C CG . LEU A 1 112 ? 6.156 -7.040 -6.358 1.00 6.78 ? 112 LEU A CG 1
1301
+ ATOM 799 C CD1 . LEU A 1 112 ? 7.590 -7.528 -6.430 1.00 7.64 ? 112 LEU A CD1 1
1302
+ ATOM 800 C CD2 . LEU A 1 112 ? 5.525 -7.459 -5.034 1.00 7.42 ? 112 LEU A CD2 1
1303
+ ATOM 801 N N . ILE A 1 113 ? 4.907 -2.891 -5.367 1.00 4.85 ? 113 ILE A N 1
1304
+ ATOM 802 C CA . ILE A 1 113 ? 4.932 -1.452 -5.130 1.00 4.86 ? 113 ILE A CA 1
1305
+ ATOM 803 C C . ILE A 1 113 ? 6.340 -1.018 -4.733 1.00 4.76 ? 113 ILE A C 1
1306
+ ATOM 804 O O . ILE A 1 113 ? 6.998 -1.662 -3.913 1.00 4.72 ? 113 ILE A O 1
1307
+ ATOM 805 C CB . ILE A 1 113 ? 3.911 -1.057 -4.029 1.00 5.04 ? 113 ILE A CB 1
1308
+ ATOM 806 C CG1 . ILE A 1 113 ? 2.499 -1.564 -4.374 1.00 5.13 ? 113 ILE A CG1 1
1309
+ ATOM 807 C CG2 . ILE A 1 113 ? 3.906 0.459 -3.807 1.00 5.20 ? 113 ILE A CG2 1
1310
+ ATOM 808 C CD1 . ILE A 1 113 ? 1.924 -1.045 -5.689 1.00 5.37 ? 113 ILE A CD1 1
1311
+ ATOM 809 N N . GLN A 1 114 ? 6.780 0.087 -5.329 1.00 4.72 ? 114 GLN A N 1
1312
+ ATOM 810 C CA . GLN A 1 114 ? 8.116 0.636 -5.134 1.00 4.79 ? 114 GLN A CA 1
1313
+ ATOM 811 C C . GLN A 1 114 ? 8.046 2.156 -5.012 1.00 4.68 ? 114 GLN A C 1
1314
+ ATOM 812 O O . GLN A 1 114 ? 6.992 2.762 -5.211 1.00 4.75 ? 114 GLN A O 1
1315
+ ATOM 813 C CB . GLN A 1 114 ? 8.992 0.287 -6.341 1.00 4.90 ? 114 GLN A CB 1
1316
+ ATOM 814 C CG . GLN A 1 114 ? 8.535 0.988 -7.632 1.00 5.38 ? 114 GLN A CG 1
1317
+ ATOM 815 C CD . GLN A 1 114 ? 9.373 0.663 -8.853 1.00 5.87 ? 114 GLN A CD 1
1318
+ ATOM 816 O OE1 . GLN A 1 114 ? 10.384 -0.038 -8.763 1.00 7.34 ? 114 GLN A OE1 1
1319
+ ATOM 817 N NE2 . GLN A 1 114 ? 8.949 1.171 -10.004 1.00 5.66 ? 114 GLN A NE2 1
1320
+ ATOM 818 N N . LEU A 1 115 ? 9.183 2.767 -4.699 1.00 4.60 ? 115 LEU A N 1
1321
+ ATOM 819 C CA . LEU A 1 115 ? 9.358 4.205 -4.870 1.00 4.60 ? 115 LEU A CA 1
1322
+ ATOM 820 C C . LEU A 1 115 ? 9.858 4.476 -6.277 1.00 4.48 ? 115 LEU A C 1
1323
+ ATOM 821 O O . LEU A 1 115 ? 10.651 3.711 -6.821 1.00 4.42 ? 115 LEU A O 1
1324
+ ATOM 822 C CB . LEU A 1 115 ? 10.374 4.771 -3.875 1.00 4.87 ? 115 LEU A CB 1
1325
+ ATOM 823 C CG . LEU A 1 115 ? 9.981 4.870 -2.402 1.00 5.54 ? 115 LEU A CG 1
1326
+ ATOM 824 C CD1 . LEU A 1 115 ? 11.102 5.534 -1.621 1.00 6.02 ? 115 LEU A CD1 1
1327
+ ATOM 825 C CD2 . LEU A 1 115 ? 8.690 5.649 -2.224 1.00 5.99 ? 115 LEU A CD2 1
1328
+ ATOM 826 N N . TYR A 1 116 ? 9.404 5.576 -6.862 1.00 4.43 ? 116 TYR A N 1
1329
+ ATOM 827 C CA . TYR A 1 116 ? 9.875 5.980 -8.180 1.00 4.56 ? 116 TYR A CA 1
1330
+ ATOM 828 C C . TYR A 1 116 ? 9.710 7.475 -8.384 1.00 4.68 ? 116 TYR A C 1
1331
+ ATOM 829 O O . TYR A 1 116 ? 8.807 8.094 -7.831 1.00 4.66 ? 116 TYR A O 1
1332
+ ATOM 830 C CB . TYR A 1 116 ? 9.129 5.224 -9.281 1.00 4.53 ? 116 TYR A CB 1
1333
+ ATOM 831 C CG . TYR A 1 116 ? 9.923 5.101 -10.564 1.00 4.45 ? 116 TYR A CG 1
1334
+ ATOM 832 C CD1 . TYR A 1 116 ? 11.008 4.232 -10.646 1.00 4.48 ? 116 TYR A CD1 1
1335
+ ATOM 833 C CD2 . TYR A 1 116 ? 9.596 5.851 -11.692 1.00 4.60 ? 116 TYR A CD2 1
1336
+ ATOM 834 C CE1 . TYR A 1 116 ? 11.747 4.112 -11.813 1.00 5.01 ? 116 TYR A CE1 1
1337
+ ATOM 835 C CE2 . TYR A 1 116 ? 10.330 5.735 -12.869 1.00 5.15 ? 116 TYR A CE2 1
1338
+ ATOM 836 C CZ . TYR A 1 116 ? 11.404 4.861 -12.920 1.00 5.31 ? 116 TYR A CZ 1
1339
+ ATOM 837 O OH . TYR A 1 116 ? 12.142 4.730 -14.072 1.00 6.57 ? 116 TYR A OH 1
1340
+ ATOM 838 N N . THR A 1 117 ? 10.591 8.047 -9.195 1.00 5.03 ? 117 THR A N 1
1341
+ ATOM 839 C CA . THR A 1 117 ? 10.530 9.459 -9.535 1.00 5.38 ? 117 THR A CA 1
1342
+ ATOM 840 C C . THR A 1 117 ? 9.121 9.810 -10.005 1.00 5.34 ? 117 THR A C 1
1343
+ ATOM 841 O O . THR A 1 117 ? 8.543 9.120 -10.848 1.00 5.12 ? 117 THR A O 1
1344
+ ATOM 842 C CB . THR A 1 117 ? 11.560 9.779 -10.627 1.00 5.61 ? 117 THR A CB 1
1345
+ ATOM 843 O OG1 . THR A 1 117 ? 12.882 9.604 -10.104 1.00 6.87 ? 117 THR A OG1 1
1346
+ ATOM 844 C CG2 . THR A 1 117 ? 11.508 11.247 -11.030 1.00 5.72 ? 117 THR A CG2 1
1347
+ ATOM 845 N N . CYS A 1 118 ? 8.575 10.884 -9.448 1.00 5.43 ? 118 CYS A N 1
1348
+ ATOM 846 C CA . CYS A 1 118 ? 7.196 11.276 -9.704 1.00 5.78 ? 118 CYS A CA 1
1349
+ ATOM 847 C C . CYS A 1 118 ? 6.983 11.720 -11.152 1.00 5.89 ? 118 CYS A C 1
1350
+ ATOM 848 O O . CYS A 1 118 ? 7.679 12.601 -11.656 1.00 6.06 ? 118 CYS A O 1
1351
+ ATOM 849 C CB . CYS A 1 118 ? 6.766 12.382 -8.737 1.00 5.93 ? 118 CYS A CB 1
1352
+ ATOM 850 S SG . CYS A 1 118 ? 6.713 11.855 -7.006 1.00 6.56 ? 118 CYS A SG 1
1353
+ ATOM 851 N N . SER A 1 119 ? 6.026 11.074 -11.808 1.00 5.99 ? 119 SER A N 1
1354
+ ATOM 852 C CA . SER A 1 119 ? 5.635 11.372 -13.184 1.00 6.14 ? 119 SER A CA 1
1355
+ ATOM 853 C C . SER A 1 119 ? 4.146 11.679 -13.310 1.00 6.06 ? 119 SER A C 1
1356
+ ATOM 854 O O . SER A 1 119 ? 3.694 12.131 -14.361 1.00 6.02 ? 119 SER A O 1
1357
+ ATOM 855 C CB . SER A 1 119 ? 5.933 10.164 -14.068 1.00 6.32 ? 119 SER A CB 1
1358
+ ATOM 856 O OG . SER A 1 119 ? 5.097 9.072 -13.717 1.00 7.26 ? 119 SER A OG 1
1359
+ ATOM 857 N N . ASN A 1 120 ? 3.386 11.384 -12.257 1.00 6.03 ? 120 ASN A N 1
1360
+ ATOM 858 C CA . ASN A 1 120 ? 1.932 11.508 -12.259 1.00 6.12 ? 120 ASN A CA 1
1361
+ ATOM 859 C C . ASN A 1 120 ? 1.230 10.583 -13.255 1.00 6.07 ? 120 ASN A C 1
1362
+ ATOM 860 O O . ASN A 1 120 ? 0.093 10.839 -13.648 1.00 6.35 ? 120 ASN A O 1
1363
+ ATOM 861 C CB . ASN A 1 120 ? 1.515 12.961 -12.488 1.00 6.15 ? 120 ASN A CB 1
1364
+ ATOM 862 C CG . ASN A 1 120 ? 0.079 13.237 -12.366 0.00 14.50 ? 120 ASN A CG 1
1365
+ ATOM 863 O OD1 . ASN A 1 120 ? -0.684 12.355 -11.970 0.00 19.59 ? 120 ASN A OD1 1
1366
+ ATOM 864 N ND2 . ASN A 1 120 ? -0.328 14.470 -12.642 0.00 18.80 ? 120 ASN A ND2 1
1367
+ ATOM 865 N N . GLY A 1 121 ? 1.901 9.501 -13.645 1.00 5.91 ? 121 GLY A N 1
1368
+ ATOM 866 C CA . GLY A 1 121 ? 1.273 8.451 -14.428 1.00 5.83 ? 121 GLY A CA 1
1369
+ ATOM 867 C C . GLY A 1 121 ? 0.199 7.770 -13.599 1.00 5.72 ? 121 GLY A C 1
1370
+ ATOM 868 O O . GLY A 1 121 ? 0.161 7.937 -12.380 1.00 5.53 ? 121 GLY A O 1
1371
+ ATOM 869 N N . SER A 1 122 ? -0.674 7.003 -14.245 1.00 5.69 ? 122 SER A N 1
1372
+ ATOM 870 C CA . SER A 1 122 ? -1.821 6.410 -13.554 1.00 5.62 ? 122 SER A CA 1
1373
+ ATOM 871 C C . SER A 1 122 ? -1.419 5.337 -12.538 1.00 5.37 ? 122 SER A C 1
1374
+ ATOM 872 O O . SER A 1 122 ? -2.193 5.018 -11.640 1.00 5.64 ? 122 SER A O 1
1375
+ ATOM 873 C CB . SER A 1 122 ? -2.829 5.847 -14.558 1.00 5.84 ? 122 SER A CB 1
1376
+ ATOM 874 O OG . SER A 1 122 ? -2.295 4.748 -15.268 1.00 6.46 ? 122 SER A OG 1
1377
+ ATOM 875 N N . ASN A 1 123 ? -0.213 4.790 -12.683 1.00 5.05 ? 123 ASN A N 1
1378
+ ATOM 876 C CA . ASN A 1 123 ? 0.360 3.879 -11.684 1.00 4.76 ? 123 ASN A CA 1
1379
+ ATOM 877 C C . ASN A 1 123 ? 0.985 4.600 -10.476 1.00 4.61 ? 123 ASN A C 1
1380
+ ATOM 878 O O . ASN A 1 123 ? 1.578 3.960 -9.607 1.00 4.35 ? 123 ASN A O 1
1381
+ ATOM 879 C CB . ASN A 1 123 ? 1.396 2.951 -12.334 1.00 4.75 ? 123 ASN A CB 1
1382
+ ATOM 880 C CG . ASN A 1 123 ? 2.660 3.681 -12.755 1.00 4.72 ? 123 ASN A CG 1
1383
+ ATOM 881 O OD1 . ASN A 1 123 ? 2.611 4.818 -13.215 1.00 5.58 ? 123 ASN A OD1 1
1384
+ ATOM 882 N ND2 . ASN A 1 123 ? 3.800 3.022 -12.600 1.00 4.20 ? 123 ASN A ND2 1
1385
+ ATOM 883 N N . GLN A 1 124 ? 0.856 5.926 -10.439 1.00 4.55 ? 124 GLN A N 1
1386
+ ATOM 884 C CA . GLN A 1 124 ? 1.325 6.755 -9.330 1.00 4.54 ? 124 GLN A CA 1
1387
+ ATOM 885 C C . GLN A 1 124 ? 0.219 7.638 -8.744 1.00 4.70 ? 124 GLN A C 1
1388
+ ATOM 886 O O . GLN A 1 124 ? 0.493 8.491 -7.899 1.00 4.75 ? 124 GLN A O 1
1389
+ ATOM 887 C CB . GLN A 1 124 ? 2.472 7.654 -9.792 1.00 4.45 ? 124 GLN A CB 1
1390
+ ATOM 888 C CG . GLN A 1 124 ? 3.749 6.924 -10.131 1.00 4.39 ? 124 GLN A CG 1
1391
+ ATOM 889 C CD . GLN A 1 124 ? 4.901 7.877 -10.355 1.00 4.53 ? 124 GLN A CD 1
1392
+ ATOM 890 O OE1 . GLN A 1 124 ? 4.725 9.092 -10.284 1.00 5.70 ? 124 GLN A OE1 1
1393
+ ATOM 891 N NE2 . GLN A 1 124 ? 6.081 7.335 -10.621 1.00 4.44 ? 124 GLN A NE2 1
1394
+ ATOM 892 N N . ARG A 1 125 ? -1.020 7.452 -9.196 1.00 4.80 ? 125 ARG A N 1
1395
+ ATOM 893 C CA . ARG A 1 125 ? -2.144 8.220 -8.671 1.00 5.09 ? 125 ARG A CA 1
1396
+ ATOM 894 C C . ARG A 1 125 ? -3.031 7.316 -7.839 1.00 5.11 ? 125 ARG A C 1
1397
+ ATOM 895 O O . ARG A 1 125 ? -3.243 6.154 -8.183 1.00 5.07 ? 125 ARG A O 1
1398
+ ATOM 896 C CB . ARG A 1 125 ? -2.940 8.879 -9.797 1.00 5.35 ? 125 ARG A CB 1
1399
+ ATOM 897 C CG . ARG A 1 125 ? -2.122 9.876 -10.598 1.00 5.95 ? 125 ARG A CG 1
1400
+ ATOM 898 C CD . ARG A 1 125 ? -2.932 10.930 -11.335 1.00 6.85 ? 125 ARG A CD 1
1401
+ ATOM 899 N NE . ARG A 1 125 ? -3.988 10.371 -12.177 1.00 7.72 ? 125 ARG A NE 1
1402
+ ATOM 900 C CZ . ARG A 1 125 ? -3.817 9.867 -13.397 1.00 8.38 ? 125 ARG A CZ 1
1403
+ ATOM 901 N NH1 . ARG A 1 125 ? -2.616 9.813 -13.957 1.00 8.70 ? 125 ARG A NH1 1
1404
+ ATOM 902 N NH2 . ARG A 1 125 ? -4.864 9.402 -14.061 1.00 9.02 ? 125 ARG A NH2 1
1405
+ ATOM 903 N N . TRP A 1 126 ? -3.542 7.864 -6.741 1.00 5.23 ? 126 TRP A N 1
1406
+ ATOM 904 C CA . TRP A 1 126 ? -4.248 7.091 -5.724 1.00 5.44 ? 126 TRP A CA 1
1407
+ ATOM 905 C C . TRP A 1 126 ? -5.410 7.894 -5.148 1.00 5.92 ? 126 TRP A C 1
1408
+ ATOM 906 O O . TRP A 1 126 ? -5.382 9.124 -5.132 1.00 5.97 ? 126 TRP A O 1
1409
+ ATOM 907 C CB . TRP A 1 126 ? -3.295 6.699 -4.585 1.00 5.33 ? 126 TRP A CB 1
1410
+ ATOM 908 C CG . TRP A 1 126 ? -2.010 6.082 -5.049 1.00 4.96 ? 126 TRP A CG 1
1411
+ ATOM 909 C CD1 . TRP A 1 126 ? -0.874 6.743 -5.406 1.00 4.87 ? 126 TRP A CD1 1
1412
+ ATOM 910 C CD2 . TRP A 1 126 ? -1.730 4.687 -5.219 1.00 4.83 ? 126 TRP A CD2 1
1413
+ ATOM 911 N NE1 . TRP A 1 126 ? 0.097 5.849 -5.789 1.00 4.67 ? 126 TRP A NE1 1
1414
+ ATOM 912 C CE2 . TRP A 1 126 ? -0.402 4.578 -5.683 1.00 4.61 ? 126 TRP A CE2 1
1415
+ ATOM 913 C CE3 . TRP A 1 126 ? -2.467 3.511 -5.024 1.00 4.68 ? 126 TRP A CE3 1
1416
+ ATOM 914 C CZ2 . TRP A 1 126 ? 0.205 3.347 -5.952 1.00 4.51 ? 126 TRP A CZ2 1
1417
+ ATOM 915 C CZ3 . TRP A 1 126 ? -1.864 2.287 -5.296 1.00 4.91 ? 126 TRP A CZ3 1
1418
+ ATOM 916 C CH2 . TRP A 1 126 ? -0.542 2.218 -5.754 1.00 4.70 ? 126 TRP A CH2 1
1419
+ ATOM 917 N N . THR A 1 127 ? -6.434 7.184 -4.691 1.00 6.50 ? 127 THR A N 1
1420
+ ATOM 918 C CA . THR A 1 127 ? -7.512 7.782 -3.912 1.00 7.16 ? 127 THR A CA 1
1421
+ ATOM 919 C C . THR A 1 127 ? -7.640 7.024 -2.597 1.00 7.73 ? 127 THR A C 1
1422
+ ATOM 920 O O . THR A 1 127 ? -7.107 5.925 -2.444 1.00 7.70 ? 127 THR A O 1
1423
+ ATOM 921 C CB . THR A 1 127 ? -8.847 7.753 -4.685 1.00 7.18 ? 127 THR A CB 1
1424
+ ATOM 922 O OG1 . THR A 1 127 ? -9.168 6.411 -5.073 1.00 7.56 ? 127 THR A OG1 1
1425
+ ATOM 923 C CG2 . THR A 1 127 ? -8.742 8.522 -6.002 1.00 7.24 ? 127 THR A CG2 1
1426
+ ATOM 924 N N . ARG A 1 128 ? -8.344 7.616 -1.642 1.00 8.55 ? 128 ARG A N 1
1427
+ ATOM 925 C CA . ARG A 1 128 ? -8.458 7.034 -0.307 1.00 9.27 ? 128 ARG A CA 1
1428
+ ATOM 926 C C . ARG A 1 128 ? -9.838 6.440 -0.035 1.00 9.83 ? 128 ARG A C 1
1429
+ ATOM 927 O O . ARG A 1 128 ? -10.095 5.942 1.063 1.00 10.18 ? 128 ARG A O 1
1430
+ ATOM 928 C CB . ARG A 1 128 ? -8.094 8.077 0.749 1.00 9.38 ? 128 ARG A CB 1
1431
+ ATOM 929 C CG . ARG A 1 128 ? -6.637 8.513 0.677 1.00 9.90 ? 128 ARG A CG 1
1432
+ ATOM 930 C CD . ARG A 1 128 ? -5.638 7.509 1.272 1.00 10.41 ? 128 ARG A CD 1
1433
+ ATOM 931 N NE . ARG A 1 128 ? -5.514 7.654 2.720 1.00 10.89 ? 128 ARG A NE 1
1434
+ ATOM 932 C CZ . ARG A 1 128 ? -5.666 6.674 3.601 1.00 11.15 ? 128 ARG A CZ 1
1435
+ ATOM 933 N NH1 . ARG A 1 128 ? -5.973 5.399 3.341 0.00 19.83 ? 128 ARG A NH1 1
1436
+ ATOM 934 N NH2 . ARG A 1 128 ? -5.347 6.886 4.874 1.00 11.43 ? 128 ARG A NH2 1
1437
+ #
1438
+ loop_
1439
+ _pdbx_audit_revision_history.ordinal
1440
+ _pdbx_audit_revision_history.data_content_type
1441
+ _pdbx_audit_revision_history.major_revision
1442
+ _pdbx_audit_revision_history.minor_revision
1443
+ _pdbx_audit_revision_history.revision_date
1444
+ 1 'Structure model' 1 0 2002-06-19
1445
+ 2 'Structure model' 1 1 2008-04-27
1446
+ 3 'Structure model' 1 2 2011-07-13
1447
+ 4 'Structure model' 2 0 2020-07-29
1448
+ #
mmcifs/1KNV_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/1KO7_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/1KOE_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/1KPT_A.cif ADDED
@@ -0,0 +1,1158 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_1KPT_A
2
+ #
3
+ _pdbx_database_status.entry_id 1KPT_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
+ ;LGINCRGSSQCGLSGGNLMVRIRDQACGNQGQTWCPGERRAKVCGTGNSISAYVQSTNNCISGTEACRHLTNLVNHGCRV
22
+ CGSDPLYAGNDVSRGQLTVNYVNSC
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;LGINCRGSSQCGLSGGNLMVRIRDQACGNQGQTWCPGERRAKVCGTGNSISAYVQSTNNCISGTEACRHLTNLVNHGCRV
26
+ CGSDPLYAGNDVSRGQLTVNYVNSC
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 GLY n
38
+ 1 3 ILE n
39
+ 1 4 ASN n
40
+ 1 5 CYS n
41
+ 1 6 ARG n
42
+ 1 7 GLY n
43
+ 1 8 SER n
44
+ 1 9 SER n
45
+ 1 10 GLN n
46
+ 1 11 CYS n
47
+ 1 12 GLY n
48
+ 1 13 LEU n
49
+ 1 14 SER n
50
+ 1 15 GLY n
51
+ 1 16 GLY n
52
+ 1 17 ASN n
53
+ 1 18 LEU n
54
+ 1 19 MET n
55
+ 1 20 VAL n
56
+ 1 21 ARG n
57
+ 1 22 ILE n
58
+ 1 23 ARG n
59
+ 1 24 ASP n
60
+ 1 25 GLN n
61
+ 1 26 ALA n
62
+ 1 27 CYS n
63
+ 1 28 GLY n
64
+ 1 29 ASN n
65
+ 1 30 GLN n
66
+ 1 31 GLY n
67
+ 1 32 GLN n
68
+ 1 33 THR n
69
+ 1 34 TRP n
70
+ 1 35 CYS n
71
+ 1 36 PRO n
72
+ 1 37 GLY n
73
+ 1 38 GLU n
74
+ 1 39 ARG n
75
+ 1 40 ARG n
76
+ 1 41 ALA n
77
+ 1 42 LYS n
78
+ 1 43 VAL n
79
+ 1 44 CYS n
80
+ 1 45 GLY n
81
+ 1 46 THR n
82
+ 1 47 GLY n
83
+ 1 48 ASN n
84
+ 1 49 SER n
85
+ 1 50 ILE n
86
+ 1 51 SER n
87
+ 1 52 ALA n
88
+ 1 53 TYR n
89
+ 1 54 VAL n
90
+ 1 55 GLN n
91
+ 1 56 SER n
92
+ 1 57 THR n
93
+ 1 58 ASN n
94
+ 1 59 ASN n
95
+ 1 60 CYS n
96
+ 1 61 ILE n
97
+ 1 62 SER n
98
+ 1 63 GLY n
99
+ 1 64 THR n
100
+ 1 65 GLU n
101
+ 1 66 ALA n
102
+ 1 67 CYS n
103
+ 1 68 ARG n
104
+ 1 69 HIS n
105
+ 1 70 LEU n
106
+ 1 71 THR n
107
+ 1 72 ASN n
108
+ 1 73 LEU n
109
+ 1 74 VAL n
110
+ 1 75 ASN n
111
+ 1 76 HIS n
112
+ 1 77 GLY n
113
+ 1 78 CYS n
114
+ 1 79 ARG n
115
+ 1 80 VAL n
116
+ 1 81 CYS n
117
+ 1 82 GLY n
118
+ 1 83 SER n
119
+ 1 84 ASP n
120
+ 1 85 PRO n
121
+ 1 86 LEU n
122
+ 1 87 TYR n
123
+ 1 88 ALA n
124
+ 1 89 GLY n
125
+ 1 90 ASN n
126
+ 1 91 ASP n
127
+ 1 92 VAL n
128
+ 1 93 SER n
129
+ 1 94 ARG n
130
+ 1 95 GLY n
131
+ 1 96 GLN n
132
+ 1 97 LEU n
133
+ 1 98 THR n
134
+ 1 99 VAL n
135
+ 1 100 ASN n
136
+ 1 101 TYR n
137
+ 1 102 VAL n
138
+ 1 103 ASN n
139
+ 1 104 SER n
140
+ 1 105 CYS n
141
+ #
142
+ _entity.id 1
143
+ _entity.type polymer
144
+ _entity.src_method man
145
+ _entity.pdbx_description ?
146
+ _entity.formula_weight 11067.370
147
+ _entity.pdbx_number_of_molecules 1
148
+ _entity.pdbx_ec ?
149
+ _entity.pdbx_mutation ?
150
+ _entity.pdbx_fragment ?
151
+ _entity.details ?
152
+ #
153
+ loop_
154
+ _pdbx_poly_seq_scheme.asym_id
155
+ _pdbx_poly_seq_scheme.entity_id
156
+ _pdbx_poly_seq_scheme.seq_id
157
+ _pdbx_poly_seq_scheme.mon_id
158
+ _pdbx_poly_seq_scheme.ndb_seq_num
159
+ _pdbx_poly_seq_scheme.pdb_seq_num
160
+ _pdbx_poly_seq_scheme.auth_seq_num
161
+ _pdbx_poly_seq_scheme.pdb_mon_id
162
+ _pdbx_poly_seq_scheme.auth_mon_id
163
+ _pdbx_poly_seq_scheme.pdb_strand_id
164
+ _pdbx_poly_seq_scheme.pdb_ins_code
165
+ _pdbx_poly_seq_scheme.hetero
166
+ A 1 1 LEU 1 1 1 LEU LEU A . n
167
+ A 1 2 GLY 2 2 2 GLY GLY A . n
168
+ A 1 3 ILE 3 3 3 ILE ILE A . n
169
+ A 1 4 ASN 4 4 4 ASN ASN A . n
170
+ A 1 5 CYS 5 5 5 CYS CYS A . n
171
+ A 1 6 ARG 6 6 6 ARG ARG A . n
172
+ A 1 7 GLY 7 7 7 GLY GLY A . n
173
+ A 1 8 SER 8 8 8 SER SER A . n
174
+ A 1 9 SER 9 9 9 SER SER A . n
175
+ A 1 10 GLN 10 10 10 GLN GLN A . n
176
+ A 1 11 CYS 11 11 11 CYS CYS A . n
177
+ A 1 12 GLY 12 12 12 GLY GLY A . n
178
+ A 1 13 LEU 13 13 13 LEU LEU A . n
179
+ A 1 14 SER 14 14 14 SER SER A . n
180
+ A 1 15 GLY 15 15 15 GLY GLY A . n
181
+ A 1 16 GLY 16 16 16 GLY GLY A . n
182
+ A 1 17 ASN 17 17 17 ASN ASN A . n
183
+ A 1 18 LEU 18 18 18 LEU LEU A . n
184
+ A 1 19 MET 19 19 19 MET MET A . n
185
+ A 1 20 VAL 20 20 20 VAL VAL A . n
186
+ A 1 21 ARG 21 21 21 ARG ARG A . n
187
+ A 1 22 ILE 22 22 22 ILE ILE A . n
188
+ A 1 23 ARG 23 23 23 ARG ARG A . n
189
+ A 1 24 ASP 24 24 24 ASP ASP A . n
190
+ A 1 25 GLN 25 25 25 GLN GLN A . n
191
+ A 1 26 ALA 26 26 26 ALA ALA A . n
192
+ A 1 27 CYS 27 27 27 CYS CYS A . n
193
+ A 1 28 GLY 28 28 28 GLY GLY A . n
194
+ A 1 29 ASN 29 29 29 ASN ASN A . n
195
+ A 1 30 GLN 30 30 30 GLN GLN A . n
196
+ A 1 31 GLY 31 31 31 GLY GLY A . n
197
+ A 1 32 GLN 32 32 32 GLN GLN A . n
198
+ A 1 33 THR 33 33 33 THR THR A . n
199
+ A 1 34 TRP 34 34 34 TRP TRP A . n
200
+ A 1 35 CYS 35 35 35 CYS CYS A . n
201
+ A 1 36 PRO 36 36 36 PRO PRO A . n
202
+ A 1 37 GLY 37 37 37 GLY GLY A . n
203
+ A 1 38 GLU 38 38 38 GLU GLU A . n
204
+ A 1 39 ARG 39 39 39 ARG ARG A . n
205
+ A 1 40 ARG 40 40 40 ARG ARG A . n
206
+ A 1 41 ALA 41 41 41 ALA ALA A . n
207
+ A 1 42 LYS 42 42 42 LYS LYS A . n
208
+ A 1 43 VAL 43 43 43 VAL VAL A . n
209
+ A 1 44 CYS 44 44 44 CYS CYS A . n
210
+ A 1 45 GLY 45 45 45 GLY GLY A . n
211
+ A 1 46 THR 46 46 46 THR THR A . n
212
+ A 1 47 GLY 47 47 47 GLY GLY A . n
213
+ A 1 48 ASN 48 48 48 ASN ASN A . n
214
+ A 1 49 SER 49 49 49 SER SER A . n
215
+ A 1 50 ILE 50 50 50 ILE ILE A . n
216
+ A 1 51 SER 51 51 51 SER SER A . n
217
+ A 1 52 ALA 52 52 52 ALA ALA A . n
218
+ A 1 53 TYR 53 53 53 TYR TYR A . n
219
+ A 1 54 VAL 54 54 54 VAL VAL A . n
220
+ A 1 55 GLN 55 55 55 GLN GLN A . n
221
+ A 1 56 SER 56 56 56 SER SER A . n
222
+ A 1 57 THR 57 57 57 THR THR A . n
223
+ A 1 58 ASN 58 58 58 ASN ASN A . n
224
+ A 1 59 ASN 59 59 59 ASN ASN A . n
225
+ A 1 60 CYS 60 60 60 CYS CYS A . n
226
+ A 1 61 ILE 61 61 61 ILE ILE A . n
227
+ A 1 62 SER 62 62 62 SER SER A . n
228
+ A 1 63 GLY 63 63 63 GLY GLY A . n
229
+ A 1 64 THR 64 64 64 THR THR A . n
230
+ A 1 65 GLU 65 65 65 GLU GLU A . n
231
+ A 1 66 ALA 66 66 66 ALA ALA A . n
232
+ A 1 67 CYS 67 67 67 CYS CYS A . n
233
+ A 1 68 ARG 68 68 68 ARG ARG A . n
234
+ A 1 69 HIS 69 69 69 HIS HIS A . n
235
+ A 1 70 LEU 70 70 70 LEU LEU A . n
236
+ A 1 71 THR 71 71 71 THR THR A . n
237
+ A 1 72 ASN 72 72 72 ASN ASN A . n
238
+ A 1 73 LEU 73 73 73 LEU LEU A . n
239
+ A 1 74 VAL 74 74 74 VAL VAL A . n
240
+ A 1 75 ASN 75 75 75 ASN ASN A . n
241
+ A 1 76 HIS 76 76 76 HIS HIS A . n
242
+ A 1 77 GLY 77 77 77 GLY GLY A . n
243
+ A 1 78 CYS 78 78 78 CYS CYS A . n
244
+ A 1 79 ARG 79 79 79 ARG ARG A . n
245
+ A 1 80 VAL 80 80 80 VAL VAL A . n
246
+ A 1 81 CYS 81 81 81 CYS CYS A . n
247
+ A 1 82 GLY 82 82 82 GLY GLY A . n
248
+ A 1 83 SER 83 83 83 SER SER A . n
249
+ A 1 84 ASP 84 84 84 ASP ASP A . n
250
+ A 1 85 PRO 85 85 85 PRO PRO A . n
251
+ A 1 86 LEU 86 86 86 LEU LEU A . n
252
+ A 1 87 TYR 87 87 87 TYR TYR A . n
253
+ A 1 88 ALA 88 88 88 ALA ALA A . n
254
+ A 1 89 GLY 89 89 89 GLY GLY A . n
255
+ A 1 90 ASN 90 90 90 ASN ASN A . n
256
+ A 1 91 ASP 91 91 91 ASP ASP A . n
257
+ A 1 92 VAL 92 92 92 VAL VAL A . n
258
+ A 1 93 SER 93 93 93 SER SER A . n
259
+ A 1 94 ARG 94 94 94 ARG ARG A . n
260
+ A 1 95 GLY 95 95 95 GLY GLY A . n
261
+ A 1 96 GLN 96 96 96 GLN GLN A . n
262
+ A 1 97 LEU 97 97 97 LEU LEU A . n
263
+ A 1 98 THR 98 98 98 THR THR A . n
264
+ A 1 99 VAL 99 99 99 VAL VAL A . n
265
+ A 1 100 ASN 100 100 100 ASN ASN A . n
266
+ A 1 101 TYR 101 101 101 TYR TYR A . n
267
+ A 1 102 VAL 102 102 102 VAL VAL A . n
268
+ A 1 103 ASN 103 103 103 ASN ASN A . n
269
+ A 1 104 SER 104 104 104 SER SER A . n
270
+ A 1 105 CYS 105 105 105 CYS CYS A . n
271
+ #
272
+ loop_
273
+ _chem_comp.id
274
+ _chem_comp.type
275
+ _chem_comp.mon_nstd_flag
276
+ _chem_comp.name
277
+ _chem_comp.pdbx_synonyms
278
+ _chem_comp.formula
279
+ _chem_comp.formula_weight
280
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
281
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
282
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
283
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
284
+ CYS "L-peptide linking" y CYSTEINE ? "C3 H7 N O2 S" 121.158
285
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
286
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
287
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
288
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
289
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
290
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
291
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
292
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
293
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
294
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
295
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
296
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
297
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
298
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
299
+ #
300
+ _struct_asym.id A
301
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
302
+ _struct_asym.pdbx_modified N
303
+ _struct_asym.entity_id 1
304
+ _struct_asym.details ?
305
+ #
306
+ _atom_sites.entry_id 1KPT_A
307
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
308
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
309
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
310
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
311
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
312
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
313
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
314
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
315
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
316
+ _atom_sites.fract_transf_vector[1] 0.00000
317
+ _atom_sites.fract_transf_vector[2] 0.00000
318
+ _atom_sites.fract_transf_vector[3] 0.00000
319
+ #
320
+ loop_
321
+ _pdbx_validate_close_contact.id
322
+ _pdbx_validate_close_contact.PDB_model_num
323
+ _pdbx_validate_close_contact.auth_atom_id_1
324
+ _pdbx_validate_close_contact.auth_asym_id_1
325
+ _pdbx_validate_close_contact.auth_comp_id_1
326
+ _pdbx_validate_close_contact.auth_seq_id_1
327
+ _pdbx_validate_close_contact.PDB_ins_code_1
328
+ _pdbx_validate_close_contact.label_alt_id_1
329
+ _pdbx_validate_close_contact.auth_atom_id_2
330
+ _pdbx_validate_close_contact.auth_asym_id_2
331
+ _pdbx_validate_close_contact.auth_comp_id_2
332
+ _pdbx_validate_close_contact.auth_seq_id_2
333
+ _pdbx_validate_close_contact.PDB_ins_code_2
334
+ _pdbx_validate_close_contact.label_alt_id_2
335
+ _pdbx_validate_close_contact.dist
336
+ 1 1 SG A CYS 35 ? ? SG A CYS 60 ? ? 2.01
337
+ 2 1 SG A CYS 27 ? ? SG A CYS 67 ? ? 2.02
338
+ 3 1 SG A CYS 11 ? ? SG A CYS 81 ? ? 2.03
339
+ 4 1 SG A CYS 44 ? ? SG A CYS 105 ? ? 2.03
340
+ 5 1 SG A CYS 5 ? ? SG A CYS 78 ? ? 2.04
341
+ #
342
+ _pdbx_validate_torsion.id 1
343
+ _pdbx_validate_torsion.PDB_model_num 1
344
+ _pdbx_validate_torsion.auth_comp_id ASN
345
+ _pdbx_validate_torsion.auth_asym_id A
346
+ _pdbx_validate_torsion.auth_seq_id 103
347
+ _pdbx_validate_torsion.PDB_ins_code ?
348
+ _pdbx_validate_torsion.label_alt_id ?
349
+ _pdbx_validate_torsion.phi -82.02
350
+ _pdbx_validate_torsion.psi 34.05
351
+ #
352
+ loop_
353
+ _atom_type.symbol
354
+ C
355
+ N
356
+ O
357
+ S
358
+ #
359
+ _entry.id 1KPT_A
360
+ #
361
+ loop_
362
+ _atom_site.group_PDB
363
+ _atom_site.id
364
+ _atom_site.type_symbol
365
+ _atom_site.label_atom_id
366
+ _atom_site.label_alt_id
367
+ _atom_site.label_comp_id
368
+ _atom_site.label_asym_id
369
+ _atom_site.label_entity_id
370
+ _atom_site.label_seq_id
371
+ _atom_site.pdbx_PDB_ins_code
372
+ _atom_site.Cartn_x
373
+ _atom_site.Cartn_y
374
+ _atom_site.Cartn_z
375
+ _atom_site.occupancy
376
+ _atom_site.B_iso_or_equiv
377
+ _atom_site.pdbx_formal_charge
378
+ _atom_site.auth_seq_id
379
+ _atom_site.auth_comp_id
380
+ _atom_site.auth_asym_id
381
+ _atom_site.auth_atom_id
382
+ _atom_site.pdbx_PDB_model_num
383
+ ATOM 1 N N . LEU A 1 1 ? 26.354 50.153 43.400 1.00 21.97 ? 1 LEU A N 1
384
+ ATOM 2 C CA . LEU A 1 1 ? 26.920 48.857 42.932 1.00 20.16 ? 1 LEU A CA 1
385
+ ATOM 3 C C . LEU A 1 1 ? 28.363 49.091 42.527 1.00 18.73 ? 1 LEU A C 1
386
+ ATOM 4 O O . LEU A 1 1 ? 28.635 49.930 41.687 1.00 17.44 ? 1 LEU A O 1
387
+ ATOM 5 C CB . LEU A 1 1 ? 26.123 48.323 41.735 1.00 20.95 ? 1 LEU A CB 1
388
+ ATOM 6 C CG . LEU A 1 1 ? 26.566 46.978 41.135 1.00 22.84 ? 1 LEU A CG 1
389
+ ATOM 7 C CD1 . LEU A 1 1 ? 26.622 45.862 42.177 1.00 22.52 ? 1 LEU A CD1 1
390
+ ATOM 8 C CD2 . LEU A 1 1 ? 25.622 46.598 40.016 1.00 24.15 ? 1 LEU A CD2 1
391
+ ATOM 9 N N . GLY A 1 2 ? 29.280 48.381 43.169 1.00 19.25 ? 2 GLY A N 1
392
+ ATOM 10 C CA . GLY A 1 2 ? 30.692 48.522 42.855 1.00 14.94 ? 2 GLY A CA 1
393
+ ATOM 11 C C . GLY A 1 2 ? 31.127 47.283 42.101 1.00 13.35 ? 2 GLY A C 1
394
+ ATOM 12 O O . GLY A 1 2 ? 30.316 46.672 41.396 1.00 11.14 ? 2 GLY A O 1
395
+ ATOM 13 N N . ILE A 1 3 ? 32.377 46.875 42.311 1.00 11.82 ? 3 ILE A N 1
396
+ ATOM 14 C CA . ILE A 1 3 ? 32.940 45.704 41.647 1.00 10.91 ? 3 ILE A CA 1
397
+ ATOM 15 C C . ILE A 1 3 ? 32.040 44.495 41.864 1.00 11.03 ? 3 ILE A C 1
398
+ ATOM 16 O O . ILE A 1 3 ? 31.552 44.262 42.977 1.00 11.73 ? 3 ILE A O 1
399
+ ATOM 17 C CB . ILE A 1 3 ? 34.411 45.448 42.113 1.00 11.82 ? 3 ILE A CB 1
400
+ ATOM 18 C CG1 . ILE A 1 3 ? 35.002 44.223 41.411 1.00 10.64 ? 3 ILE A CG1 1
401
+ ATOM 19 C CG2 . ILE A 1 3 ? 34.494 45.321 43.630 1.00 11.07 ? 3 ILE A CG2 1
402
+ ATOM 20 C CD1 . ILE A 1 3 ? 36.494 44.108 41.592 1.00 10.41 ? 3 ILE A CD1 1
403
+ ATOM 21 N N . ASN A 1 4 ? 31.798 43.734 40.807 1.00 9.17 ? 4 ASN A N 1
404
+ ATOM 22 C CA . ASN A 1 4 ? 30.903 42.582 40.905 1.00 9.05 ? 4 ASN A CA 1
405
+ ATOM 23 C C . ASN A 1 4 ? 31.164 41.577 39.795 1.00 7.74 ? 4 ASN A C 1
406
+ ATOM 24 O O . ASN A 1 4 ? 31.842 41.892 38.828 1.00 8.73 ? 4 ASN A O 1
407
+ ATOM 25 C CB . ASN A 1 4 ? 29.444 43.072 40.869 1.00 8.03 ? 4 ASN A CB 1
408
+ ATOM 26 C CG . ASN A 1 4 ? 29.048 43.653 39.512 1.00 9.14 ? 4 ASN A CG 1
409
+ ATOM 27 O OD1 . ASN A 1 4 ? 28.753 42.910 38.576 1.00 9.20 ? 4 ASN A OD1 1
410
+ ATOM 28 N ND2 . ASN A 1 4 ? 29.029 44.975 39.407 1.00 8.68 ? 4 ASN A ND2 1
411
+ ATOM 29 N N . CYS A 1 5 ? 30.625 40.369 39.922 1.00 6.79 ? 5 CYS A N 1
412
+ ATOM 30 C CA . CYS A 1 5 ? 30.834 39.351 38.898 1.00 7.80 ? 5 CYS A CA 1
413
+ ATOM 31 C C . CYS A 1 5 ? 29.554 39.071 38.115 1.00 6.67 ? 5 CYS A C 1
414
+ ATOM 32 O O . CYS A 1 5 ? 29.371 37.979 37.616 1.00 7.35 ? 5 CYS A O 1
415
+ ATOM 33 C CB . CYS A 1 5 ? 31.335 38.031 39.505 1.00 6.65 ? 5 CYS A CB 1
416
+ ATOM 34 S SG . CYS A 1 5 ? 32.866 38.136 40.508 1.00 8.34 ? 5 CYS A SG 1
417
+ ATOM 35 N N . ARG A 1 6 ? 28.653 40.038 38.066 1.00 8.42 ? 6 ARG A N 1
418
+ ATOM 36 C CA . ARG A 1 6 ? 27.397 39.858 37.346 1.00 10.34 ? 6 ARG A CA 1
419
+ ATOM 37 C C . ARG A 1 6 ? 27.658 39.712 35.857 1.00 10.53 ? 6 ARG A C 1
420
+ ATOM 38 O O . ARG A 1 6 ? 28.563 40.343 35.312 1.00 10.20 ? 6 ARG A O 1
421
+ ATOM 39 C CB . ARG A 1 6 ? 26.480 41.062 37.578 1.00 9.36 ? 6 ARG A CB 1
422
+ ATOM 40 C CG . ARG A 1 6 ? 25.870 41.120 38.980 1.00 10.79 ? 6 ARG A CG 1
423
+ ATOM 41 C CD . ARG A 1 6 ? 25.008 42.360 39.142 1.00 13.61 ? 6 ARG A CD 1
424
+ ATOM 42 N NE . ARG A 1 6 ? 24.654 42.582 40.540 1.00 18.20 ? 6 ARG A NE 1
425
+ ATOM 43 C CZ . ARG A 1 6 ? 23.667 43.377 40.954 1.00 22.40 ? 6 ARG A CZ 1
426
+ ATOM 44 N NH1 . ARG A 1 6 ? 22.912 44.039 40.074 1.00 20.42 ? 6 ARG A NH1 1
427
+ ATOM 45 N NH2 . ARG A 1 6 ? 23.445 43.522 42.262 1.00 21.55 ? 6 ARG A NH2 1
428
+ ATOM 46 N N . GLY A 1 7 ? 26.830 38.926 35.191 1.00 11.57 ? 7 GLY A N 1
429
+ ATOM 47 C CA . GLY A 1 7 ? 26.974 38.749 33.764 1.00 11.38 ? 7 GLY A CA 1
430
+ ATOM 48 C C . GLY A 1 7 ? 25.876 37.853 33.233 1.00 12.32 ? 7 GLY A C 1
431
+ ATOM 49 O O . GLY A 1 7 ? 25.031 37.354 33.982 1.00 10.95 ? 7 GLY A O 1
432
+ ATOM 50 N N . SER A 1 8 ? 25.877 37.663 31.927 1.00 11.59 ? 8 SER A N 1
433
+ ATOM 51 C CA . SER A 1 8 ? 24.903 36.803 31.290 1.00 13.37 ? 8 SER A CA 1
434
+ ATOM 52 C C . SER A 1 8 ? 25.070 35.354 31.776 1.00 14.32 ? 8 SER A C 1
435
+ ATOM 53 O O . SER A 1 8 ? 26.169 34.918 32.121 1.00 12.92 ? 8 SER A O 1
436
+ ATOM 54 C CB . SER A 1 8 ? 25.112 36.876 29.779 1.00 15.25 ? 8 SER A CB 1
437
+ ATOM 55 O OG . SER A 1 8 ? 24.466 35.806 29.120 1.00 19.29 ? 8 SER A OG 1
438
+ ATOM 56 N N . SER A 1 9 ? 23.975 34.605 31.816 1.00 14.74 ? 9 SER A N 1
439
+ ATOM 57 C CA . SER A 1 9 ? 24.019 33.204 32.212 1.00 16.35 ? 9 SER A CA 1
440
+ ATOM 58 C C . SER A 1 9 ? 25.043 32.428 31.382 1.00 16.54 ? 9 SER A C 1
441
+ ATOM 59 O O . SER A 1 9 ? 25.601 31.441 31.854 1.00 17.30 ? 9 SER A O 1
442
+ ATOM 60 C CB . SER A 1 9 ? 22.640 32.555 32.054 0.52 15.47 ? 9 SER A CB 1
443
+ ATOM 61 O OG . SER A 1 9 ? 21.639 33.320 32.703 0.52 14.83 ? 9 SER A OG 1
444
+ ATOM 62 N N . GLN A 1 10 ? 25.334 32.891 30.167 1.00 16.92 ? 10 GLN A N 1
445
+ ATOM 63 C CA . GLN A 1 10 ? 26.250 32.244 29.226 1.00 20.94 ? 10 GLN A CA 1
446
+ ATOM 64 C C . GLN A 1 10 ? 27.632 32.240 29.863 1.00 20.16 ? 10 GLN A C 1
447
+ ATOM 65 O O . GLN A 1 10 ? 28.439 31.291 29.605 1.00 20.59 ? 10 GLN A O 1
448
+ ATOM 66 C CB . GLN A 1 10 ? 26.267 33.023 27.909 1.00 24.26 ? 10 GLN A CB 1
449
+ ATOM 67 C CG . GLN A 1 10 ? 24.884 33.165 27.272 1.00 31.28 ? 10 GLN A CG 1
450
+ ATOM 68 C CD . GLN A 1 10 ? 24.079 31.864 27.305 1.00 35.97 ? 10 GLN A CD 1
451
+ ATOM 69 O OE1 . GLN A 1 10 ? 24.511 30.858 26.746 1.00 38.87 ? 10 GLN A OE1 1
452
+ ATOM 70 N NE2 . GLN A 1 10 ? 22.919 31.821 27.935 1.00 20.00 ? 10 GLN A NE2 1
453
+ ATOM 71 N N . CYS A 1 11 ? 27.971 33.230 30.664 1.00 17.07 ? 11 CYS A N 1
454
+ ATOM 72 C CA . CYS A 1 11 ? 29.271 33.337 31.316 1.00 18.11 ? 11 CYS A CA 1
455
+ ATOM 73 C C . CYS A 1 11 ? 29.577 32.058 32.064 1.00 21.20 ? 11 CYS A C 1
456
+ ATOM 74 O O . CYS A 1 11 ? 30.661 31.488 31.920 1.00 23.49 ? 11 CYS A O 1
457
+ ATOM 75 C CB . CYS A 1 11 ? 29.260 34.499 32.301 1.00 13.63 ? 11 CYS A CB 1
458
+ ATOM 76 S SG . CYS A 1 11 ? 29.069 36.115 31.491 1.00 14.13 ? 11 CYS A SG 1
459
+ ATOM 77 N N . GLY A 1 12 ? 28.580 31.572 32.803 1.00 22.61 ? 12 GLY A N 1
460
+ ATOM 78 C CA . GLY A 1 12 ? 28.744 30.364 33.593 1.00 24.24 ? 12 GLY A CA 1
461
+ ATOM 79 C C . GLY A 1 12 ? 28.952 29.082 32.814 1.00 24.68 ? 12 GLY A C 1
462
+ ATOM 80 O O . GLY A 1 12 ? 29.480 28.108 33.339 1.00 25.59 ? 12 GLY A O 1
463
+ ATOM 81 N N . LEU A 1 13 ? 28.550 29.081 31.554 1.00 25.85 ? 13 LEU A N 1
464
+ ATOM 82 C CA . LEU A 1 13 ? 28.691 27.900 30.719 1.00 29.00 ? 13 LEU A CA 1
465
+ ATOM 83 C C . LEU A 1 13 ? 30.101 27.783 30.173 1.00 29.15 ? 13 LEU A C 1
466
+ ATOM 84 O O . LEU A 1 13 ? 30.579 26.680 29.923 1.00 31.27 ? 13 LEU A O 1
467
+ ATOM 85 C CB . LEU A 1 13 ? 27.688 27.942 29.563 0.45 28.75 ? 13 LEU A CB 1
468
+ ATOM 86 C CG . LEU A 1 13 ? 26.215 28.079 29.954 0.45 29.60 ? 13 LEU A CG 1
469
+ ATOM 87 C CD1 . LEU A 1 13 ? 25.358 28.126 28.701 0.45 30.26 ? 13 LEU A CD1 1
470
+ ATOM 88 C CD2 . LEU A 1 13 ? 25.796 26.921 30.850 0.45 28.52 ? 13 LEU A CD2 1
471
+ ATOM 89 N N . SER A 1 14 ? 30.749 28.923 29.963 1.00 28.79 ? 14 SER A N 1
472
+ ATOM 90 C CA . SER A 1 14 ? 32.097 28.961 29.414 1.00 27.89 ? 14 SER A CA 1
473
+ ATOM 91 C C . SER A 1 14 ? 33.083 28.292 30.362 1.00 27.57 ? 14 SER A C 1
474
+ ATOM 92 O O . SER A 1 14 ? 32.960 28.396 31.580 1.00 26.43 ? 14 SER A O 1
475
+ ATOM 93 C CB . SER A 1 14 ? 32.508 30.412 29.170 1.00 29.12 ? 14 SER A CB 1
476
+ ATOM 94 O OG . SER A 1 14 ? 31.488 31.125 28.490 1.00 31.35 ? 14 SER A OG 1
477
+ ATOM 95 N N . GLY A 1 15 ? 34.068 27.603 29.799 1.00 27.74 ? 15 GLY A N 1
478
+ ATOM 96 C CA . GLY A 1 15 ? 35.041 26.923 30.636 1.00 25.40 ? 15 GLY A CA 1
479
+ ATOM 97 C C . GLY A 1 15 ? 36.342 27.681 30.725 1.00 23.53 ? 15 GLY A C 1
480
+ ATOM 98 O O . GLY A 1 15 ? 36.622 28.548 29.895 1.00 23.51 ? 15 GLY A O 1
481
+ ATOM 99 N N . GLY A 1 16 ? 37.095 27.401 31.776 1.00 22.99 ? 16 GLY A N 1
482
+ ATOM 100 C CA . GLY A 1 16 ? 38.391 28.021 31.955 1.00 23.88 ? 16 GLY A CA 1
483
+ ATOM 101 C C . GLY A 1 16 ? 38.371 29.360 32.654 1.00 23.65 ? 16 GLY A C 1
484
+ ATOM 102 O O . GLY A 1 16 ? 37.305 29.916 32.933 1.00 21.20 ? 16 GLY A O 1
485
+ ATOM 103 N N . ASN A 1 17 ? 39.551 29.879 32.981 1.00 20.80 ? 17 ASN A N 1
486
+ ATOM 104 C CA . ASN A 1 17 ? 39.575 31.169 33.625 1.00 20.69 ? 17 ASN A CA 1
487
+ ATOM 105 C C . ASN A 1 17 ? 39.776 32.171 32.517 1.00 19.87 ? 17 ASN A C 1
488
+ ATOM 106 O O . ASN A 1 17 ? 40.908 32.578 32.181 1.00 17.58 ? 17 ASN A O 1
489
+ ATOM 107 C CB . ASN A 1 17 ? 40.741 31.238 34.612 0.30 24.46 ? 17 ASN A CB 1
490
+ ATOM 108 C CG . ASN A 1 17 ? 40.649 30.189 35.703 0.30 25.85 ? 17 ASN A CG 1
491
+ ATOM 109 O OD1 . ASN A 1 17 ? 39.657 30.119 36.425 0.30 27.87 ? 17 ASN A OD1 1
492
+ ATOM 110 N ND2 . ASN A 1 17 ? 41.680 29.371 35.820 0.30 26.05 ? 17 ASN A ND2 1
493
+ ATOM 111 N N . LEU A 1 18 ? 38.658 32.505 31.894 1.00 15.41 ? 18 LEU A N 1
494
+ ATOM 112 C CA . LEU A 1 18 ? 38.666 33.445 30.810 1.00 14.00 ? 18 LEU A CA 1
495
+ ATOM 113 C C . LEU A 1 18 ? 39.064 34.825 31.292 1.00 12.65 ? 18 LEU A C 1
496
+ ATOM 114 O O . LEU A 1 18 ? 39.812 35.508 30.594 1.00 10.75 ? 18 LEU A O 1
497
+ ATOM 115 C CB . LEU A 1 18 ? 37.310 33.448 30.099 1.00 14.80 ? 18 LEU A CB 1
498
+ ATOM 116 C CG . LEU A 1 18 ? 36.921 32.092 29.488 1.00 17.11 ? 18 LEU A CG 1
499
+ ATOM 117 C CD1 . LEU A 1 18 ? 35.663 32.241 28.653 1.00 16.03 ? 18 LEU A CD1 1
500
+ ATOM 118 C CD2 . LEU A 1 18 ? 38.054 31.554 28.615 1.00 18.59 ? 18 LEU A CD2 1
501
+ ATOM 119 N N . MET A 1 19 ? 38.641 35.209 32.503 1.00 9.13 ? 19 MET A N 1
502
+ ATOM 120 C CA . MET A 1 19 ? 38.982 36.529 33.047 1.00 9.62 ? 19 MET A CA 1
503
+ ATOM 121 C C . MET A 1 19 ? 40.506 36.741 33.068 1.00 9.60 ? 19 MET A C 1
504
+ ATOM 122 O O . MET A 1 19 ? 40.983 37.819 32.722 1.00 10.02 ? 19 MET A O 1
505
+ ATOM 123 C CB . MET A 1 19 ? 38.395 36.731 34.457 1.00 8.87 ? 19 MET A CB 1
506
+ ATOM 124 C CG . MET A 1 19 ? 38.499 38.160 34.975 1.00 6.74 ? 19 MET A CG 1
507
+ ATOM 125 S SD . MET A 1 19 ? 37.632 39.449 33.965 1.00 9.65 ? 19 MET A SD 1
508
+ ATOM 126 C CE . MET A 1 19 ? 35.881 39.293 34.659 1.00 9.37 ? 19 MET A CE 1
509
+ ATOM 127 N N . VAL A 1 20 ? 41.257 35.715 33.463 1.00 11.36 ? 20 VAL A N 1
510
+ ATOM 128 C CA . VAL A 1 20 ? 42.731 35.785 33.488 1.00 12.51 ? 20 VAL A CA 1
511
+ ATOM 129 C C . VAL A 1 20 ? 43.299 35.983 32.071 1.00 11.31 ? 20 VAL A C 1
512
+ ATOM 130 O O . VAL A 1 20 ? 44.208 36.791 31.864 1.00 10.39 ? 20 VAL A O 1
513
+ ATOM 131 C CB . VAL A 1 20 ? 43.359 34.503 34.114 1.00 12.45 ? 20 VAL A CB 1
514
+ ATOM 132 C CG1 . VAL A 1 20 ? 44.861 34.435 33.820 1.00 11.34 ? 20 VAL A CG1 1
515
+ ATOM 133 C CG2 . VAL A 1 20 ? 43.137 34.504 35.630 1.00 12.25 ? 20 VAL A CG2 1
516
+ ATOM 134 N N . ARG A 1 21 ? 42.753 35.265 31.096 1.00 9.78 ? 21 ARG A N 1
517
+ ATOM 135 C CA . ARG A 1 21 ? 43.235 35.397 29.726 1.00 10.22 ? 21 ARG A CA 1
518
+ ATOM 136 C C . ARG A 1 21 ? 42.975 36.798 29.180 1.00 10.31 ? 21 ARG A C 1
519
+ ATOM 137 O O . ARG A 1 21 ? 43.832 37.395 28.520 1.00 8.90 ? 21 ARG A O 1
520
+ ATOM 138 C CB . ARG A 1 21 ? 42.595 34.333 28.830 1.00 12.26 ? 21 ARG A CB 1
521
+ ATOM 139 C CG . ARG A 1 21 ? 43.121 32.955 29.091 1.00 12.80 ? 21 ARG A CG 1
522
+ ATOM 140 C CD . ARG A 1 21 ? 42.464 31.937 28.204 1.00 17.65 ? 21 ARG A CD 1
523
+ ATOM 141 N NE . ARG A 1 21 ? 42.631 32.226 26.779 1.00 18.82 ? 21 ARG A NE 1
524
+ ATOM 142 C CZ . ARG A 1 21 ? 42.056 31.530 25.802 1.00 19.19 ? 21 ARG A CZ 1
525
+ ATOM 143 N NH1 . ARG A 1 21 ? 41.279 30.490 26.075 1.00 19.51 ? 21 ARG A NH1 1
526
+ ATOM 144 N NH2 . ARG A 1 21 ? 42.201 31.924 24.548 1.00 21.09 ? 21 ARG A NH2 1
527
+ ATOM 145 N N . ILE A 1 22 ? 41.809 37.350 29.501 1.00 9.14 ? 22 ILE A N 1
528
+ ATOM 146 C CA . ILE A 1 22 ? 41.439 38.684 29.045 1.00 9.14 ? 22 ILE A CA 1
529
+ ATOM 147 C C . ILE A 1 22 ? 42.345 39.707 29.739 1.00 9.58 ? 22 ILE A C 1
530
+ ATOM 148 O O . ILE A 1 22 ? 42.808 40.669 29.124 1.00 9.15 ? 22 ILE A O 1
531
+ ATOM 149 C CB . ILE A 1 22 ? 39.933 38.950 29.324 1.00 10.70 ? 22 ILE A CB 1
532
+ ATOM 150 C CG1 . ILE A 1 22 ? 39.080 38.144 28.340 1.00 11.70 ? 22 ILE A CG1 1
533
+ ATOM 151 C CG2 . ILE A 1 22 ? 39.602 40.433 29.244 1.00 11.11 ? 22 ILE A CG2 1
534
+ ATOM 152 C CD1 . ILE A 1 22 ? 37.591 38.156 28.677 1.00 14.13 ? 22 ILE A CD1 1
535
+ ATOM 153 N N . ARG A 1 23 ? 42.577 39.511 31.027 1.00 8.14 ? 23 ARG A N 1
536
+ ATOM 154 C CA . ARG A 1 23 ? 43.463 40.403 31.761 1.00 9.30 ? 23 ARG A CA 1
537
+ ATOM 155 C C . ARG A 1 23 ? 44.852 40.370 31.092 1.00 8.07 ? 23 ARG A C 1
538
+ ATOM 156 O O . ARG A 1 23 ? 45.442 41.411 30.846 1.00 8.58 ? 23 ARG A O 1
539
+ ATOM 157 C CB . ARG A 1 23 ? 43.575 39.945 33.219 1.00 10.22 ? 23 ARG A CB 1
540
+ ATOM 158 C CG . ARG A 1 23 ? 44.440 40.841 34.121 1.00 11.78 ? 23 ARG A CG 1
541
+ ATOM 159 C CD . ARG A 1 23 ? 45.897 40.392 34.137 1.00 12.09 ? 23 ARG A CD 1
542
+ ATOM 160 N NE . ARG A 1 23 ? 46.086 39.029 34.629 1.00 12.49 ? 23 ARG A NE 1
543
+ ATOM 161 C CZ . ARG A 1 23 ? 46.140 38.706 35.915 1.00 13.86 ? 23 ARG A CZ 1
544
+ ATOM 162 N NH1 . ARG A 1 23 ? 45.995 39.645 36.843 1.00 14.73 ? 23 ARG A NH1 1
545
+ ATOM 163 N NH2 . ARG A 1 23 ? 46.405 37.461 36.275 1.00 13.21 ? 23 ARG A NH2 1
546
+ ATOM 164 N N . ASP A 1 24 ? 45.344 39.172 30.787 1.00 8.35 ? 24 ASP A N 1
547
+ ATOM 165 C CA . ASP A 1 24 ? 46.657 38.996 30.162 1.00 7.88 ? 24 ASP A CA 1
548
+ ATOM 166 C C . ASP A 1 24 ? 46.764 39.763 28.859 1.00 9.25 ? 24 ASP A C 1
549
+ ATOM 167 O O . ASP A 1 24 ? 47.777 40.416 28.592 1.00 9.60 ? 24 ASP A O 1
550
+ ATOM 168 C CB . ASP A 1 24 ? 46.949 37.511 29.971 1.00 9.63 ? 24 ASP A CB 1
551
+ ATOM 169 C CG . ASP A 1 24 ? 47.278 36.797 31.293 1.00 10.09 ? 24 ASP A CG 1
552
+ ATOM 170 O OD1 . ASP A 1 24 ? 47.391 37.467 32.344 1.00 11.15 ? 24 ASP A OD1 1
553
+ ATOM 171 O OD2 . ASP A 1 24 ? 47.415 35.563 31.286 1.00 12.04 ? 24 ASP A OD2 1
554
+ ATOM 172 N N . GLN A 1 25 ? 45.711 39.731 28.053 1.00 10.44 ? 25 GLN A N 1
555
+ ATOM 173 C CA . GLN A 1 25 ? 45.719 40.472 26.798 1.00 9.14 ? 25 GLN A CA 1
556
+ ATOM 174 C C . GLN A 1 25 ? 45.865 41.973 27.058 1.00 10.10 ? 25 GLN A C 1
557
+ ATOM 175 O O . GLN A 1 25 ? 46.712 42.637 26.463 1.00 12.97 ? 25 GLN A O 1
558
+ ATOM 176 C CB . GLN A 1 25 ? 44.432 40.216 25.987 1.00 9.36 ? 25 GLN A CB 1
559
+ ATOM 177 C CG . GLN A 1 25 ? 44.241 38.786 25.509 1.00 9.98 ? 25 GLN A CG 1
560
+ ATOM 178 C CD . GLN A 1 25 ? 42.923 38.596 24.749 1.00 12.21 ? 25 GLN A CD 1
561
+ ATOM 179 O OE1 . GLN A 1 25 ? 42.336 39.553 24.242 1.00 11.73 ? 25 GLN A OE1 1
562
+ ATOM 180 N NE2 . GLN A 1 25 ? 42.455 37.366 24.689 1.00 13.94 ? 25 GLN A NE2 1
563
+ ATOM 181 N N . ALA A 1 26 ? 45.051 42.513 27.956 1.00 8.90 ? 26 ALA A N 1
564
+ ATOM 182 C CA . ALA A 1 26 ? 45.080 43.937 28.256 1.00 9.69 ? 26 ALA A CA 1
565
+ ATOM 183 C C . ALA A 1 26 ? 46.411 44.399 28.848 1.00 10.80 ? 26 ALA A C 1
566
+ ATOM 184 O O . ALA A 1 26 ? 46.924 45.466 28.497 1.00 12.40 ? 26 ALA A O 1
567
+ ATOM 185 C CB . ALA A 1 26 ? 43.939 44.287 29.220 1.00 9.04 ? 26 ALA A CB 1
568
+ ATOM 186 N N . CYS A 1 27 ? 46.946 43.602 29.764 1.00 9.16 ? 27 CYS A N 1
569
+ ATOM 187 C CA . CYS A 1 27 ? 48.194 43.934 30.447 1.00 10.29 ? 27 CYS A CA 1
570
+ ATOM 188 C C . CYS A 1 27 ? 49.421 43.777 29.558 1.00 11.38 ? 27 CYS A C 1
571
+ ATOM 189 O O . CYS A 1 27 ? 50.454 44.407 29.793 1.00 11.76 ? 27 CYS A O 1
572
+ ATOM 190 C CB . CYS A 1 27 ? 48.316 43.118 31.739 1.00 8.21 ? 27 CYS A CB 1
573
+ ATOM 191 S SG . CYS A 1 27 ? 47.045 43.543 33.001 1.00 9.23 ? 27 CYS A SG 1
574
+ ATOM 192 N N . GLY A 1 28 ? 49.276 42.986 28.502 1.00 13.55 ? 28 GLY A N 1
575
+ ATOM 193 C CA . GLY A 1 28 ? 50.369 42.783 27.568 1.00 14.73 ? 28 GLY A CA 1
576
+ ATOM 194 C C . GLY A 1 28 ? 50.406 43.860 26.494 1.00 16.78 ? 28 GLY A C 1
577
+ ATOM 195 O O . GLY A 1 28 ? 51.361 43.937 25.727 1.00 18.25 ? 28 GLY A O 1
578
+ ATOM 196 N N . ASN A 1 29 ? 49.384 44.710 26.442 1.00 16.11 ? 29 ASN A N 1
579
+ ATOM 197 C CA . ASN A 1 29 ? 49.310 45.768 25.448 1.00 15.28 ? 29 ASN A CA 1
580
+ ATOM 198 C C . ASN A 1 29 ? 48.737 47.031 26.075 1.00 16.18 ? 29 ASN A C 1
581
+ ATOM 199 O O . ASN A 1 29 ? 47.695 47.557 25.646 1.00 15.48 ? 29 ASN A O 1
582
+ ATOM 200 C CB . ASN A 1 29 ? 48.428 45.321 24.289 1.00 21.93 ? 29 ASN A CB 1
583
+ ATOM 201 C CG . ASN A 1 29 ? 48.432 46.314 23.134 1.00 28.16 ? 29 ASN A CG 1
584
+ ATOM 202 O OD1 . ASN A 1 29 ? 49.181 47.303 23.143 1.00 30.54 ? 29 ASN A OD1 1
585
+ ATOM 203 N ND2 . ASN A 1 29 ? 47.578 46.072 22.143 1.00 30.19 ? 29 ASN A ND2 1
586
+ ATOM 204 N N . GLN A 1 30 ? 49.476 47.582 27.029 1.00 13.47 ? 30 GLN A N 1
587
+ ATOM 205 C CA . GLN A 1 30 ? 49.016 48.754 27.751 1.00 12.53 ? 30 GLN A CA 1
588
+ ATOM 206 C C . GLN A 1 30 ? 49.060 50.049 26.975 1.00 13.81 ? 30 GLN A C 1
589
+ ATOM 207 O O . GLN A 1 30 ? 48.558 51.072 27.439 1.00 14.92 ? 30 GLN A O 1
590
+ ATOM 208 C CB . GLN A 1 30 ? 49.758 48.893 29.083 1.00 13.40 ? 30 GLN A CB 1
591
+ ATOM 209 C CG . GLN A 1 30 ? 49.594 47.676 29.977 1.00 12.26 ? 30 GLN A CG 1
592
+ ATOM 210 C CD . GLN A 1 30 ? 50.453 47.732 31.219 1.00 12.37 ? 30 GLN A CD 1
593
+ ATOM 211 O OE1 . GLN A 1 30 ? 50.537 48.760 31.879 1.00 12.78 ? 30 GLN A OE1 1
594
+ ATOM 212 N NE2 . GLN A 1 30 ? 51.093 46.624 31.544 1.00 11.93 ? 30 GLN A NE2 1
595
+ ATOM 213 N N . GLY A 1 31 ? 49.605 50.001 25.777 1.00 13.06 ? 31 GLY A N 1
596
+ ATOM 214 C CA . GLY A 1 31 ? 49.689 51.206 24.986 1.00 15.28 ? 31 GLY A CA 1
597
+ ATOM 215 C C . GLY A 1 31 ? 48.384 51.686 24.382 1.00 17.69 ? 31 GLY A C 1
598
+ ATOM 216 O O . GLY A 1 31 ? 48.225 52.884 24.141 1.00 19.09 ? 31 GLY A O 1
599
+ ATOM 217 N N . GLN A 1 32 ? 47.453 50.772 24.132 1.00 20.19 ? 32 GLN A N 1
600
+ ATOM 218 C CA . GLN A 1 32 ? 46.171 51.138 23.521 1.00 23.17 ? 32 GLN A CA 1
601
+ ATOM 219 C C . GLN A 1 32 ? 45.195 51.855 24.458 1.00 24.31 ? 32 GLN A C 1
602
+ ATOM 220 O O . GLN A 1 32 ? 45.186 51.605 25.661 1.00 26.75 ? 32 GLN A O 1
603
+ ATOM 221 C CB . GLN A 1 32 ? 45.491 49.899 22.929 1.00 26.53 ? 32 GLN A CB 1
604
+ ATOM 222 C CG . GLN A 1 32 ? 45.205 48.816 23.943 1.00 32.51 ? 32 GLN A CG 1
605
+ ATOM 223 C CD . GLN A 1 32 ? 44.655 47.546 23.321 1.00 35.45 ? 32 GLN A CD 1
606
+ ATOM 224 O OE1 . GLN A 1 32 ? 44.277 47.522 22.148 1.00 38.39 ? 32 GLN A OE1 1
607
+ ATOM 225 N NE2 . GLN A 1 32 ? 44.607 46.481 24.107 1.00 37.34 ? 32 GLN A NE2 1
608
+ ATOM 226 N N . THR A 1 33 ? 44.430 52.801 23.933 1.00 22.48 ? 33 THR A N 1
609
+ ATOM 227 C CA . THR A 1 33 ? 43.448 53.474 24.766 1.00 22.87 ? 33 THR A CA 1
610
+ ATOM 228 C C . THR A 1 33 ? 42.106 52.753 24.556 1.00 20.80 ? 33 THR A C 1
611
+ ATOM 229 O O . THR A 1 33 ? 41.866 52.154 23.496 1.00 17.14 ? 33 THR A O 1
612
+ ATOM 230 C CB . THR A 1 33 ? 43.367 54.987 24.487 0.36 24.12 ? 33 THR A CB 1
613
+ ATOM 231 O OG1 . THR A 1 33 ? 42.923 55.215 23.143 0.36 24.88 ? 33 THR A OG1 1
614
+ ATOM 232 C CG2 . THR A 1 33 ? 44.739 55.622 24.661 0.36 25.10 ? 33 THR A CG2 1
615
+ ATOM 233 N N . TRP A 1 34 ? 41.307 52.693 25.617 1.00 17.34 ? 34 TRP A N 1
616
+ ATOM 234 C CA . TRP A 1 34 ? 40.015 52.026 25.569 1.00 15.38 ? 34 TRP A CA 1
617
+ ATOM 235 C C . TRP A 1 34 ? 38.879 53.053 25.589 1.00 15.17 ? 34 TRP A C 1
618
+ ATOM 236 O O . TRP A 1 34 ? 38.718 53.789 26.563 1.00 14.65 ? 34 TRP A O 1
619
+ ATOM 237 C CB . TRP A 1 34 ? 39.864 51.079 26.768 1.00 13.80 ? 34 TRP A CB 1
620
+ ATOM 238 C CG . TRP A 1 34 ? 40.763 49.868 26.746 1.00 13.18 ? 34 TRP A CG 1
621
+ ATOM 239 C CD1 . TRP A 1 34 ? 42.123 49.849 26.557 1.00 13.50 ? 34 TRP A CD1 1
622
+ ATOM 240 C CD2 . TRP A 1 34 ? 40.362 48.502 26.933 1.00 13.37 ? 34 TRP A CD2 1
623
+ ATOM 241 N NE1 . TRP A 1 34 ? 42.586 48.552 26.613 1.00 14.61 ? 34 TRP A NE1 1
624
+ ATOM 242 C CE2 . TRP A 1 34 ? 41.531 47.704 26.839 1.00 13.33 ? 34 TRP A CE2 1
625
+ ATOM 243 C CE3 . TRP A 1 34 ? 39.134 47.865 27.167 1.00 13.33 ? 34 TRP A CE3 1
626
+ ATOM 244 C CZ2 . TRP A 1 34 ? 41.504 46.303 26.987 1.00 11.45 ? 34 TRP A CZ2 1
627
+ ATOM 245 C CZ3 . TRP A 1 34 ? 39.109 46.474 27.313 1.00 11.07 ? 34 TRP A CZ3 1
628
+ ATOM 246 C CH2 . TRP A 1 34 ? 40.290 45.711 27.217 1.00 12.83 ? 34 TRP A CH2 1
629
+ ATOM 247 N N . CYS A 1 35 ? 38.149 53.167 24.490 1.00 12.90 ? 35 CYS A N 1
630
+ ATOM 248 C CA . CYS A 1 35 ? 37.033 54.095 24.456 1.00 14.29 ? 35 CYS A CA 1
631
+ ATOM 249 C C . CYS A 1 35 ? 35.733 53.290 24.624 1.00 15.05 ? 35 CYS A C 1
632
+ ATOM 250 O O . CYS A 1 35 ? 35.716 52.075 24.362 1.00 14.98 ? 35 CYS A O 1
633
+ ATOM 251 C CB . CYS A 1 35 ? 37.059 54.940 23.176 1.00 15.60 ? 35 CYS A CB 1
634
+ ATOM 252 S SG . CYS A 1 35 ? 38.349 56.229 23.210 1.00 15.99 ? 35 CYS A SG 1
635
+ ATOM 253 N N . PRO A 1 36 ? 34.626 53.950 25.025 1.00 15.00 ? 36 PRO A N 1
636
+ ATOM 254 C CA . PRO A 1 36 ? 33.348 53.260 25.228 1.00 13.82 ? 36 PRO A CA 1
637
+ ATOM 255 C C . PRO A 1 36 ? 32.933 52.346 24.083 1.00 13.75 ? 36 PRO A C 1
638
+ ATOM 256 O O . PRO A 1 36 ? 32.986 52.726 22.907 1.00 11.99 ? 36 PRO A O 1
639
+ ATOM 257 C CB . PRO A 1 36 ? 32.361 54.414 25.413 1.00 14.72 ? 36 PRO A CB 1
640
+ ATOM 258 C CG . PRO A 1 36 ? 33.204 55.483 26.001 1.00 16.35 ? 36 PRO A CG 1
641
+ ATOM 259 C CD . PRO A 1 36 ? 34.438 55.402 25.137 1.00 14.62 ? 36 PRO A CD 1
642
+ ATOM 260 N N . GLY A 1 37 ? 32.594 51.111 24.432 1.00 13.56 ? 37 GLY A N 1
643
+ ATOM 261 C CA . GLY A 1 37 ? 32.144 50.161 23.431 1.00 14.59 ? 37 GLY A CA 1
644
+ ATOM 262 C C . GLY A 1 37 ? 33.189 49.357 22.678 1.00 15.40 ? 37 GLY A C 1
645
+ ATOM 263 O O . GLY A 1 37 ? 32.846 48.370 22.020 1.00 16.14 ? 37 GLY A O 1
646
+ ATOM 264 N N . GLU A 1 38 ? 34.453 49.765 22.748 1.00 12.64 ? 38 GLU A N 1
647
+ ATOM 265 C CA . GLU A 1 38 ? 35.496 49.029 22.053 1.00 13.86 ? 38 GLU A CA 1
648
+ ATOM 266 C C . GLU A 1 38 ? 35.879 47.754 22.809 1.00 13.11 ? 38 GLU A C 1
649
+ ATOM 267 O O . GLU A 1 38 ? 36.330 47.816 23.957 1.00 13.79 ? 38 GLU A O 1
650
+ ATOM 268 C CB . GLU A 1 38 ? 36.722 49.918 21.843 1.00 15.04 ? 38 GLU A CB 1
651
+ ATOM 269 C CG . GLU A 1 38 ? 36.421 51.164 21.028 1.00 18.03 ? 38 GLU A CG 1
652
+ ATOM 270 C CD . GLU A 1 38 ? 37.574 52.153 20.979 1.00 21.05 ? 38 GLU A CD 1
653
+ ATOM 271 O OE1 . GLU A 1 38 ? 38.525 52.034 21.788 1.00 19.59 ? 38 GLU A OE1 1
654
+ ATOM 272 O OE2 . GLU A 1 38 ? 37.509 53.070 20.126 1.00 23.71 ? 38 GLU A OE2 1
655
+ ATOM 273 N N . ARG A 1 39 ? 35.708 46.608 22.157 1.00 12.12 ? 39 ARG A N 1
656
+ ATOM 274 C CA . ARG A 1 39 ? 36.019 45.316 22.749 1.00 11.63 ? 39 ARG A CA 1
657
+ ATOM 275 C C . ARG A 1 39 ? 37.475 45.003 22.439 1.00 13.49 ? 39 ARG A C 1
658
+ ATOM 276 O O . ARG A 1 39 ? 37.797 44.229 21.538 1.00 12.82 ? 39 ARG A O 1
659
+ ATOM 277 C CB . ARG A 1 39 ? 35.058 44.242 22.219 1.00 11.13 ? 39 ARG A CB 1
660
+ ATOM 278 C CG . ARG A 1 39 ? 33.581 44.598 22.514 1.00 12.59 ? 39 ARG A CG 1
661
+ ATOM 279 C CD . ARG A 1 39 ? 32.572 43.531 22.060 1.00 15.13 ? 39 ARG A CD 1
662
+ ATOM 280 N NE . ARG A 1 39 ? 32.459 43.421 20.608 1.00 14.97 ? 39 ARG A NE 1
663
+ ATOM 281 C CZ . ARG A 1 39 ? 32.887 42.377 19.900 1.00 16.05 ? 39 ARG A CZ 1
664
+ ATOM 282 N NH1 . ARG A 1 39 ? 33.443 41.359 20.509 1.00 16.54 ? 39 ARG A NH1 1
665
+ ATOM 283 N NH2 . ARG A 1 39 ? 32.804 42.361 18.581 1.00 19.05 ? 39 ARG A NH2 1
666
+ ATOM 284 N N . ARG A 1 40 ? 38.336 45.627 23.238 1.00 14.95 ? 40 ARG A N 1
667
+ ATOM 285 C CA . ARG A 1 40 ? 39.784 45.547 23.127 1.00 16.45 ? 40 ARG A CA 1
668
+ ATOM 286 C C . ARG A 1 40 ? 40.447 44.253 23.569 1.00 15.65 ? 40 ARG A C 1
669
+ ATOM 287 O O . ARG A 1 40 ? 41.578 43.999 23.181 1.00 17.49 ? 40 ARG A O 1
670
+ ATOM 288 C CB . ARG A 1 40 ? 40.399 46.732 23.856 1.00 19.57 ? 40 ARG A CB 1
671
+ ATOM 289 C CG . ARG A 1 40 ? 39.955 48.074 23.325 1.00 23.64 ? 40 ARG A CG 1
672
+ ATOM 290 C CD . ARG A 1 40 ? 40.879 48.475 22.223 1.00 28.52 ? 40 ARG A CD 1
673
+ ATOM 291 N NE . ARG A 1 40 ? 40.534 49.753 21.617 1.00 32.52 ? 40 ARG A NE 1
674
+ ATOM 292 C CZ . ARG A 1 40 ? 41.315 50.379 20.743 1.00 34.55 ? 40 ARG A CZ 1
675
+ ATOM 293 N NH1 . ARG A 1 40 ? 42.474 49.835 20.403 1.00 35.41 ? 40 ARG A NH1 1
676
+ ATOM 294 N NH2 . ARG A 1 40 ? 40.925 51.518 20.176 1.00 35.13 ? 40 ARG A NH2 1
677
+ ATOM 295 N N . ALA A 1 41 ? 39.786 43.464 24.413 1.00 11.95 ? 41 ALA A N 1
678
+ ATOM 296 C CA . ALA A 1 41 ? 40.327 42.167 24.838 1.00 11.74 ? 41 ALA A CA 1
679
+ ATOM 297 C C . ALA A 1 41 ? 39.139 41.211 24.807 1.00 11.95 ? 41 ALA A C 1
680
+ ATOM 298 O O . ALA A 1 41 ? 38.032 41.594 25.198 1.00 13.59 ? 41 ALA A O 1
681
+ ATOM 299 C CB . ALA A 1 41 ? 40.916 42.245 26.238 1.00 10.37 ? 41 ALA A CB 1
682
+ ATOM 300 N N . LYS A 1 42 ? 39.350 39.987 24.335 1.00 12.54 ? 42 LYS A N 1
683
+ ATOM 301 C CA . LYS A 1 42 ? 38.257 39.025 24.235 1.00 13.91 ? 42 LYS A CA 1
684
+ ATOM 302 C C . LYS A 1 42 ? 38.747 37.626 23.906 1.00 14.39 ? 42 LYS A C 1
685
+ ATOM 303 O O . LYS A 1 42 ? 39.844 37.447 23.379 1.00 14.87 ? 42 LYS A O 1
686
+ ATOM 304 C CB . LYS A 1 42 ? 37.281 39.465 23.125 1.00 13.07 ? 42 LYS A CB 1
687
+ ATOM 305 C CG . LYS A 1 42 ? 37.817 39.254 21.711 1.00 15.81 ? 42 LYS A CG 1
688
+ ATOM 306 C CD . LYS A 1 42 ? 36.972 39.946 20.656 1.00 16.40 ? 42 LYS A CD 1
689
+ ATOM 307 C CE . LYS A 1 42 ? 37.565 39.733 19.285 1.00 19.40 ? 42 LYS A CE 1
690
+ ATOM 308 N NZ . LYS A 1 42 ? 37.151 40.791 18.319 1.00 20.84 ? 42 LYS A NZ 1
691
+ ATOM 309 N N . VAL A 1 43 ? 37.942 36.633 24.260 1.00 14.38 ? 43 VAL A N 1
692
+ ATOM 310 C CA . VAL A 1 43 ? 38.222 35.232 23.949 1.00 12.53 ? 43 VAL A CA 1
693
+ ATOM 311 C C . VAL A 1 43 ? 36.953 34.766 23.215 1.00 14.79 ? 43 VAL A C 1
694
+ ATOM 312 O O . VAL A 1 43 ? 35.838 34.819 23.764 1.00 12.33 ? 43 VAL A O 1
695
+ ATOM 313 C CB . VAL A 1 43 ? 38.436 34.378 25.225 1.00 15.46 ? 43 VAL A CB 1
696
+ ATOM 314 C CG1 . VAL A 1 43 ? 38.535 32.895 24.857 1.00 14.38 ? 43 VAL A CG1 1
697
+ ATOM 315 C CG2 . VAL A 1 43 ? 39.709 34.841 25.960 1.00 13.87 ? 43 VAL A CG2 1
698
+ ATOM 316 N N . CYS A 1 44 ? 37.112 34.474 21.932 1.00 14.66 ? 44 CYS A N 1
699
+ ATOM 317 C CA . CYS A 1 44 ? 36.011 34.024 21.088 1.00 15.95 ? 44 CYS A CA 1
700
+ ATOM 318 C C . CYS A 1 44 ? 35.748 32.531 21.056 1.00 17.80 ? 44 CYS A C 1
701
+ ATOM 319 O O . CYS A 1 44 ? 36.645 31.711 21.256 1.00 20.30 ? 44 CYS A O 1
702
+ ATOM 320 C CB . CYS A 1 44 ? 36.249 34.479 19.656 1.00 15.53 ? 44 CYS A CB 1
703
+ ATOM 321 S SG . CYS A 1 44 ? 36.349 36.264 19.444 1.00 16.67 ? 44 CYS A SG 1
704
+ ATOM 322 N N . GLY A 1 45 ? 34.482 32.205 20.843 1.00 18.70 ? 45 GLY A N 1
705
+ ATOM 323 C CA . GLY A 1 45 ? 34.052 30.834 20.680 1.00 19.19 ? 45 GLY A CA 1
706
+ ATOM 324 C C . GLY A 1 45 ? 33.584 30.840 19.225 1.00 21.09 ? 45 GLY A C 1
707
+ ATOM 325 O O . GLY A 1 45 ? 34.074 31.638 18.404 1.00 19.85 ? 45 GLY A O 1
708
+ ATOM 326 N N . THR A 1 46 ? 32.638 29.975 18.879 1.00 21.23 ? 46 THR A N 1
709
+ ATOM 327 C CA . THR A 1 46 ? 32.137 29.961 17.514 1.00 20.31 ? 46 THR A CA 1
710
+ ATOM 328 C C . THR A 1 46 ? 30.898 30.842 17.431 1.00 18.79 ? 46 THR A C 1
711
+ ATOM 329 O O . THR A 1 46 ? 29.837 30.489 17.948 1.00 19.39 ? 46 THR A O 1
712
+ ATOM 330 C CB . THR A 1 46 ? 31.818 28.541 17.028 1.00 22.12 ? 46 THR A CB 1
713
+ ATOM 331 O OG1 . THR A 1 46 ? 33.024 27.764 17.011 1.00 24.30 ? 46 THR A OG1 1
714
+ ATOM 332 C CG2 . THR A 1 46 ? 31.239 28.584 15.612 1.00 22.21 ? 46 THR A CG2 1
715
+ ATOM 333 N N . GLY A 1 47 ? 31.068 32.021 16.843 1.00 16.12 ? 47 GLY A N 1
716
+ ATOM 334 C CA . GLY A 1 47 ? 29.972 32.947 16.681 1.00 15.19 ? 47 GLY A CA 1
717
+ ATOM 335 C C . GLY A 1 47 ? 29.661 33.812 17.873 1.00 17.12 ? 47 GLY A C 1
718
+ ATOM 336 O O . GLY A 1 47 ? 28.646 34.512 17.873 1.00 17.81 ? 47 GLY A O 1
719
+ ATOM 337 N N . ASN A 1 48 ? 30.529 33.787 18.886 1.00 17.40 ? 48 ASN A N 1
720
+ ATOM 338 C CA . ASN A 1 48 ? 30.323 34.579 20.098 1.00 16.68 ? 48 ASN A CA 1
721
+ ATOM 339 C C . ASN A 1 48 ? 31.635 34.793 20.842 1.00 16.96 ? 48 ASN A C 1
722
+ ATOM 340 O O . ASN A 1 48 ? 32.673 34.280 20.423 1.00 14.65 ? 48 ASN A O 1
723
+ ATOM 341 C CB . ASN A 1 48 ? 29.322 33.883 21.019 1.00 18.33 ? 48 ASN A CB 1
724
+ ATOM 342 C CG . ASN A 1 48 ? 29.735 32.478 21.359 1.00 20.79 ? 48 ASN A CG 1
725
+ ATOM 343 O OD1 . ASN A 1 48 ? 30.887 32.210 21.713 1.00 22.30 ? 48 ASN A OD1 1
726
+ ATOM 344 N ND2 . ASN A 1 48 ? 28.803 31.560 21.243 1.00 23.57 ? 48 ASN A ND2 1
727
+ ATOM 345 N N . SER A 1 49 ? 31.584 35.547 21.937 1.00 15.66 ? 49 SER A N 1
728
+ ATOM 346 C CA . SER A 1 49 ? 32.777 35.811 22.729 1.00 14.08 ? 49 SER A CA 1
729
+ ATOM 347 C C . SER A 1 49 ? 32.473 36.349 24.124 1.00 13.67 ? 49 SER A C 1
730
+ ATOM 348 O O . SER A 1 49 ? 31.320 36.665 24.458 1.00 10.48 ? 49 SER A O 1
731
+ ATOM 349 C CB . SER A 1 49 ? 33.648 36.858 22.018 1.00 13.16 ? 49 SER A CB 1
732
+ ATOM 350 O OG . SER A 1 49 ? 33.030 38.145 22.038 1.00 11.44 ? 49 SER A OG 1
733
+ ATOM 351 N N . ILE A 1 50 ? 33.522 36.348 24.948 1.00 13.70 ? 50 ILE A N 1
734
+ ATOM 352 C CA . ILE A 1 50 ? 33.509 36.949 26.278 1.00 12.37 ? 50 ILE A CA 1
735
+ ATOM 353 C C . ILE A 1 50 ? 34.436 38.143 25.967 1.00 10.32 ? 50 ILE A C 1
736
+ ATOM 354 O O . ILE A 1 50 ? 35.603 37.945 25.606 1.00 12.39 ? 50 ILE A O 1
737
+ ATOM 355 C CB . ILE A 1 50 ? 34.171 36.067 27.365 1.00 12.28 ? 50 ILE A CB 1
738
+ ATOM 356 C CG1 . ILE A 1 50 ? 33.432 34.730 27.533 1.00 13.55 ? 50 ILE A CG1 1
739
+ ATOM 357 C CG2 . ILE A 1 50 ? 34.209 36.844 28.673 1.00 11.81 ? 50 ILE A CG2 1
740
+ ATOM 358 C CD1 . ILE A 1 50 ? 31.946 34.850 27.863 1.00 14.14 ? 50 ILE A CD1 1
741
+ ATOM 359 N N . SER A 1 51 ? 33.889 39.351 25.996 1.00 7.54 ? 51 SER A N 1
742
+ ATOM 360 C CA . SER A 1 51 ? 34.631 40.556 25.662 1.00 9.48 ? 51 SER A CA 1
743
+ ATOM 361 C C . SER A 1 51 ? 34.657 41.574 26.797 1.00 11.83 ? 51 SER A C 1
744
+ ATOM 362 O O . SER A 1 51 ? 33.734 41.630 27.636 1.00 10.66 ? 51 SER A O 1
745
+ ATOM 363 C CB . SER A 1 51 ? 34.017 41.235 24.423 1.00 10.78 ? 51 SER A CB 1
746
+ ATOM 364 O OG . SER A 1 51 ? 34.038 40.403 23.267 1.00 11.31 ? 51 SER A OG 1
747
+ ATOM 365 N N . ALA A 1 52 ? 35.705 42.394 26.808 1.00 10.89 ? 52 ALA A N 1
748
+ ATOM 366 C CA . ALA A 1 52 ? 35.870 43.453 27.802 1.00 9.65 ? 52 ALA A CA 1
749
+ ATOM 367 C C . ALA A 1 52 ? 35.680 44.778 27.059 1.00 9.29 ? 52 ALA A C 1
750
+ ATOM 368 O O . ALA A 1 52 ? 36.180 44.949 25.941 1.00 10.55 ? 52 ALA A O 1
751
+ ATOM 369 C CB . ALA A 1 52 ? 37.270 43.381 28.423 1.00 9.10 ? 52 ALA A CB 1
752
+ ATOM 370 N N . TYR A 1 53 ? 34.995 45.722 27.687 1.00 5.97 ? 53 TYR A N 1
753
+ ATOM 371 C CA . TYR A 1 53 ? 34.733 47.016 27.081 1.00 7.80 ? 53 TYR A CA 1
754
+ ATOM 372 C C . TYR A 1 53 ? 34.272 48.011 28.117 1.00 9.08 ? 53 TYR A C 1
755
+ ATOM 373 O O . TYR A 1 53 ? 33.658 47.640 29.124 1.00 10.17 ? 53 TYR A O 1
756
+ ATOM 374 C CB . TYR A 1 53 ? 33.654 46.914 25.984 1.00 8.32 ? 53 TYR A CB 1
757
+ ATOM 375 C CG . TYR A 1 53 ? 32.376 46.239 26.440 1.00 7.83 ? 53 TYR A CG 1
758
+ ATOM 376 C CD1 . TYR A 1 53 ? 32.229 44.852 26.361 1.00 7.45 ? 53 TYR A CD1 1
759
+ ATOM 377 C CD2 . TYR A 1 53 ? 31.306 46.991 26.923 1.00 10.09 ? 53 TYR A CD2 1
760
+ ATOM 378 C CE1 . TYR A 1 53 ? 31.038 44.226 26.749 1.00 10.31 ? 53 TYR A CE1 1
761
+ ATOM 379 C CE2 . TYR A 1 53 ? 30.118 46.382 27.310 1.00 10.26 ? 53 TYR A CE2 1
762
+ ATOM 380 C CZ . TYR A 1 53 ? 29.985 45.006 27.221 1.00 10.16 ? 53 TYR A CZ 1
763
+ ATOM 381 O OH . TYR A 1 53 ? 28.797 44.419 27.608 1.00 11.79 ? 53 TYR A OH 1
764
+ ATOM 382 N N . VAL A 1 54 ? 34.607 49.273 27.882 1.00 9.79 ? 54 VAL A N 1
765
+ ATOM 383 C CA . VAL A 1 54 ? 34.221 50.359 28.759 1.00 10.51 ? 54 VAL A CA 1
766
+ ATOM 384 C C . VAL A 1 54 ? 32.777 50.710 28.414 1.00 13.20 ? 54 VAL A C 1
767
+ ATOM 385 O O . VAL A 1 54 ? 32.370 50.630 27.241 1.00 13.09 ? 54 VAL A O 1
768
+ ATOM 386 C CB . VAL A 1 54 ? 35.119 51.597 28.516 1.00 11.05 ? 54 VAL A CB 1
769
+ ATOM 387 C CG1 . VAL A 1 54 ? 34.549 52.835 29.205 1.00 12.64 ? 54 VAL A CG1 1
770
+ ATOM 388 C CG2 . VAL A 1 54 ? 36.518 51.326 29.038 1.00 12.20 ? 54 VAL A CG2 1
771
+ ATOM 389 N N . GLN A 1 55 ? 31.994 51.026 29.445 1.00 14.59 ? 55 GLN A N 1
772
+ ATOM 390 C CA . GLN A 1 55 ? 30.603 51.446 29.276 1.00 14.83 ? 55 GLN A CA 1
773
+ ATOM 391 C C . GLN A 1 55 ? 30.172 52.322 30.451 1.00 14.60 ? 55 GLN A C 1
774
+ ATOM 392 O O . GLN A 1 55 ? 30.899 52.455 31.439 1.00 13.95 ? 55 GLN A O 1
775
+ ATOM 393 C CB . GLN A 1 55 ? 29.659 50.252 29.071 1.00 13.16 ? 55 GLN A CB 1
776
+ ATOM 394 C CG . GLN A 1 55 ? 29.474 49.336 30.256 1.00 14.15 ? 55 GLN A CG 1
777
+ ATOM 395 C CD . GLN A 1 55 ? 28.386 48.298 30.020 1.00 14.12 ? 55 GLN A CD 1
778
+ ATOM 396 O OE1 . GLN A 1 55 ? 28.360 47.234 30.660 1.00 15.48 ? 55 GLN A OE1 1
779
+ ATOM 397 N NE2 . GLN A 1 55 ? 27.485 48.591 29.096 1.00 12.65 ? 55 GLN A NE2 1
780
+ ATOM 398 N N . SER A 1 56 ? 29.045 53.012 30.273 1.00 16.23 ? 56 SER A N 1
781
+ ATOM 399 C CA . SER A 1 56 ? 28.461 53.906 31.284 1.00 15.31 ? 56 SER A CA 1
782
+ ATOM 400 C C . SER A 1 56 ? 29.188 55.224 31.478 1.00 15.49 ? 56 SER A C 1
783
+ ATOM 401 O O . SER A 1 56 ? 29.061 55.871 32.515 1.00 16.15 ? 56 SER A O 1
784
+ ATOM 402 C CB . SER A 1 56 ? 28.298 53.188 32.622 1.00 14.44 ? 56 SER A CB 1
785
+ ATOM 403 O OG . SER A 1 56 ? 27.688 51.930 32.414 1.00 15.93 ? 56 SER A OG 1
786
+ ATOM 404 N N . THR A 1 57 ? 29.954 55.631 30.476 1.00 16.69 ? 57 THR A N 1
787
+ ATOM 405 C CA . THR A 1 57 ? 30.661 56.902 30.542 1.00 17.34 ? 57 THR A CA 1
788
+ ATOM 406 C C . THR A 1 57 ? 31.047 57.285 29.123 1.00 17.72 ? 57 THR A C 1
789
+ ATOM 407 O O . THR A 1 57 ? 30.983 56.450 28.223 1.00 19.11 ? 57 THR A O 1
790
+ ATOM 408 C CB . THR A 1 57 ? 31.936 56.839 31.452 1.00 15.75 ? 57 THR A CB 1
791
+ ATOM 409 O OG1 . THR A 1 57 ? 32.638 58.092 31.379 1.00 17.07 ? 57 THR A OG1 1
792
+ ATOM 410 C CG2 . THR A 1 57 ? 32.878 55.718 31.011 1.00 15.72 ? 57 THR A CG2 1
793
+ ATOM 411 N N . ASN A 1 58 ? 31.395 58.557 28.949 1.00 18.41 ? 58 ASN A N 1
794
+ ATOM 412 C CA . ASN A 1 58 ? 31.828 59.132 27.677 1.00 20.73 ? 58 ASN A CA 1
795
+ ATOM 413 C C . ASN A 1 58 ? 33.347 59.077 27.586 1.00 19.68 ? 58 ASN A C 1
796
+ ATOM 414 O O . ASN A 1 58 ? 33.916 59.287 26.526 1.00 20.86 ? 58 ASN A O 1
797
+ ATOM 415 C CB . ASN A 1 58 ? 31.337 60.580 27.559 0.32 23.63 ? 58 ASN A CB 1
798
+ ATOM 416 C CG . ASN A 1 58 ? 31.647 61.410 28.794 0.32 26.16 ? 58 ASN A CG 1
799
+ ATOM 417 O OD1 . ASN A 1 58 ? 32.102 60.877 29.808 0.32 28.89 ? 58 ASN A OD1 1
800
+ ATOM 418 N ND2 . ASN A 1 58 ? 31.391 62.703 28.717 0.32 28.32 ? 58 ASN A ND2 1
801
+ ATOM 419 N N . ASN A 1 59 ? 34.011 58.939 28.718 1.00 17.79 ? 59 ASN A N 1
802
+ ATOM 420 C CA . ASN A 1 59 ? 35.466 58.912 28.715 1.00 18.74 ? 59 ASN A CA 1
803
+ ATOM 421 C C . ASN A 1 59 ? 36.099 57.653 28.193 1.00 17.46 ? 59 ASN A C 1
804
+ ATOM 422 O O . ASN A 1 59 ? 35.489 56.588 28.171 1.00 17.14 ? 59 ASN A O 1
805
+ ATOM 423 C CB . ASN A 1 59 ? 36.009 59.142 30.114 1.00 19.79 ? 59 ASN A CB 1
806
+ ATOM 424 C CG . ASN A 1 59 ? 35.531 60.420 30.702 1.00 20.77 ? 59 ASN A CG 1
807
+ ATOM 425 O OD1 . ASN A 1 59 ? 35.605 61.461 30.070 1.00 21.61 ? 59 ASN A OD1 1
808
+ ATOM 426 N ND2 . ASN A 1 59 ? 35.002 60.350 31.912 1.00 22.00 ? 59 ASN A ND2 1
809
+ ATOM 427 N N . CYS A 1 60 ? 37.370 57.789 27.846 1.00 16.71 ? 60 CYS A N 1
810
+ ATOM 428 C CA . CYS A 1 60 ? 38.184 56.683 27.370 1.00 16.24 ? 60 CYS A CA 1
811
+ ATOM 429 C C . CYS A 1 60 ? 39.215 56.521 28.476 1.00 14.87 ? 60 CYS A C 1
812
+ ATOM 430 O O . CYS A 1 60 ? 39.454 57.467 29.231 1.00 14.38 ? 60 CYS A O 1
813
+ ATOM 431 C CB . CYS A 1 60 ? 38.905 57.066 26.067 1.00 15.43 ? 60 CYS A CB 1
814
+ ATOM 432 S SG . CYS A 1 60 ? 37.811 57.500 24.674 1.00 16.09 ? 60 CYS A SG 1
815
+ ATOM 433 N N . ILE A 1 61 ? 39.778 55.330 28.618 1.00 14.54 ? 61 ILE A N 1
816
+ ATOM 434 C CA . ILE A 1 61 ? 40.819 55.115 29.626 1.00 14.65 ? 61 ILE A CA 1
817
+ ATOM 435 C C . ILE A 1 61 ? 42.083 54.555 28.952 1.00 14.99 ? 61 ILE A C 1
818
+ ATOM 436 O O . ILE A 1 61 ? 42.029 54.032 27.830 1.00 14.54 ? 61 ILE A O 1
819
+ ATOM 437 C CB . ILE A 1 61 ? 40.372 54.146 30.749 1.00 14.62 ? 61 ILE A CB 1
820
+ ATOM 438 C CG1 . ILE A 1 61 ? 40.069 52.762 30.158 1.00 14.28 ? 61 ILE A CG1 1
821
+ ATOM 439 C CG2 . ILE A 1 61 ? 39.198 54.754 31.538 1.00 14.29 ? 61 ILE A CG2 1
822
+ ATOM 440 C CD1 . ILE A 1 61 ? 39.769 51.671 31.174 1.00 14.88 ? 61 ILE A CD1 1
823
+ ATOM 441 N N . SER A 1 62 ? 43.217 54.677 29.636 1.00 15.26 ? 62 SER A N 1
824
+ ATOM 442 C CA . SER A 1 62 ? 44.490 54.186 29.119 1.00 14.59 ? 62 SER A CA 1
825
+ ATOM 443 C C . SER A 1 62 ? 44.541 52.678 29.262 1.00 13.74 ? 62 SER A C 1
826
+ ATOM 444 O O . SER A 1 62 ? 43.836 52.106 30.103 1.00 14.13 ? 62 SER A O 1
827
+ ATOM 445 C CB . SER A 1 62 ? 45.652 54.807 29.906 1.00 17.47 ? 62 SER A CB 1
828
+ ATOM 446 O OG . SER A 1 62 ? 45.810 54.194 31.182 1.00 19.78 ? 62 SER A OG 1
829
+ ATOM 447 N N . GLY A 1 63 ? 45.412 52.039 28.488 1.00 11.18 ? 63 GLY A N 1
830
+ ATOM 448 C CA . GLY A 1 63 ? 45.551 50.595 28.552 1.00 9.42 ? 63 GLY A CA 1
831
+ ATOM 449 C C . GLY A 1 63 ? 46.073 50.159 29.902 1.00 10.62 ? 63 GLY A C 1
832
+ ATOM 450 O O . GLY A 1 63 ? 45.827 49.038 30.346 1.00 11.91 ? 63 GLY A O 1
833
+ ATOM 451 N N . THR A 1 64 ? 46.854 51.024 30.536 1.00 11.15 ? 64 THR A N 1
834
+ ATOM 452 C CA . THR A 1 64 ? 47.383 50.730 31.862 1.00 14.08 ? 64 THR A CA 1
835
+ ATOM 453 C C . THR A 1 64 ? 46.204 50.622 32.835 1.00 11.38 ? 64 THR A C 1
836
+ ATOM 454 O O . THR A 1 64 ? 46.146 49.708 33.649 1.00 10.55 ? 64 THR A O 1
837
+ ATOM 455 C CB . THR A 1 64 ? 48.359 51.843 32.332 1.00 15.99 ? 64 THR A CB 1
838
+ ATOM 456 O OG1 . THR A 1 64 ? 49.418 51.974 31.382 1.00 20.24 ? 64 THR A OG1 1
839
+ ATOM 457 C CG2 . THR A 1 64 ? 48.991 51.483 33.673 1.00 19.49 ? 64 THR A CG2 1
840
+ ATOM 458 N N . GLU A 1 65 ? 45.233 51.524 32.707 1.00 13.58 ? 65 GLU A N 1
841
+ ATOM 459 C CA . GLU A 1 65 ? 44.079 51.496 33.592 1.00 16.29 ? 65 GLU A CA 1
842
+ ATOM 460 C C . GLU A 1 65 ? 43.198 50.278 33.328 1.00 13.48 ? 65 GLU A C 1
843
+ ATOM 461 O O . GLU A 1 65 ? 42.678 49.673 34.270 1.00 12.58 ? 65 GLU A O 1
844
+ ATOM 462 C CB . GLU A 1 65 ? 43.258 52.782 33.473 0.28 19.61 ? 65 GLU A CB 1
845
+ ATOM 463 C CG . GLU A 1 65 ? 44.020 54.058 33.814 0.28 24.17 ? 65 GLU A CG 1
846
+ ATOM 464 C CD . GLU A 1 65 ? 44.336 54.212 35.302 0.28 27.24 ? 65 GLU A CD 1
847
+ ATOM 465 O OE1 . GLU A 1 65 ? 43.897 53.373 36.121 0.28 28.02 ? 65 GLU A OE1 1
848
+ ATOM 466 O OE2 . GLU A 1 65 ? 45.027 55.193 35.652 0.28 30.37 ? 65 GLU A OE2 1
849
+ ATOM 467 N N . ALA A 1 66 ? 43.036 49.907 32.057 1.00 11.82 ? 66 ALA A N 1
850
+ ATOM 468 C CA . ALA A 1 66 ? 42.233 48.737 31.713 1.00 11.64 ? 66 ALA A CA 1
851
+ ATOM 469 C C . ALA A 1 66 ? 42.869 47.497 32.358 1.00 11.89 ? 66 ALA A C 1
852
+ ATOM 470 O O . ALA A 1 66 ? 42.166 46.641 32.889 1.00 11.94 ? 66 ALA A O 1
853
+ ATOM 471 C CB . ALA A 1 66 ? 42.149 48.578 30.199 1.00 9.44 ? 66 ALA A CB 1
854
+ ATOM 472 N N . CYS A 1 67 ? 44.201 47.432 32.347 1.00 9.74 ? 67 CYS A N 1
855
+ ATOM 473 C CA . CYS A 1 67 ? 44.953 46.323 32.935 1.00 8.79 ? 67 CYS A CA 1
856
+ ATOM 474 C C . CYS A 1 67 ? 44.673 46.239 34.437 1.00 8.92 ? 67 CYS A C 1
857
+ ATOM 475 O O . CYS A 1 67 ? 44.465 45.150 34.987 1.00 8.76 ? 67 CYS A O 1
858
+ ATOM 476 C CB . CYS A 1 67 ? 46.466 46.528 32.698 1.00 7.15 ? 67 CYS A CB 1
859
+ ATOM 477 S SG . CYS A 1 67 ? 47.552 45.395 33.628 1.00 7.62 ? 67 CYS A SG 1
860
+ ATOM 478 N N . ARG A 1 68 ? 44.676 47.401 35.085 1.00 9.68 ? 68 ARG A N 1
861
+ ATOM 479 C CA . ARG A 1 68 ? 44.429 47.488 36.516 1.00 12.06 ? 68 ARG A CA 1
862
+ ATOM 480 C C . ARG A 1 68 ? 43.027 46.985 36.857 1.00 11.20 ? 68 ARG A C 1
863
+ ATOM 481 O O . ARG A 1 68 ? 42.857 46.140 37.732 1.00 10.57 ? 68 ARG A O 1
864
+ ATOM 482 C CB . ARG A 1 68 ? 44.596 48.934 36.992 1.00 15.42 ? 68 ARG A CB 1
865
+ ATOM 483 C CG . ARG A 1 68 ? 44.343 49.125 38.487 1.00 21.21 ? 68 ARG A CG 1
866
+ ATOM 484 C CD . ARG A 1 68 ? 44.732 50.531 38.955 1.00 25.03 ? 68 ARG A CD 1
867
+ ATOM 485 N NE . ARG A 1 68 ? 43.758 51.549 38.566 1.00 29.91 ? 68 ARG A NE 1
868
+ ATOM 486 C CZ . ARG A 1 68 ? 42.502 51.600 39.014 1.00 33.40 ? 68 ARG A CZ 1
869
+ ATOM 487 N NH1 . ARG A 1 68 ? 42.037 50.683 39.871 1.00 32.64 ? 68 ARG A NH1 1
870
+ ATOM 488 N NH2 . ARG A 1 68 ? 41.715 52.602 38.637 1.00 35.71 ? 68 ARG A NH2 1
871
+ ATOM 489 N N . HIS A 1 69 ? 42.023 47.482 36.138 1.00 10.48 ? 69 HIS A N 1
872
+ ATOM 490 C CA . HIS A 1 69 ? 40.642 47.055 36.390 1.00 9.84 ? 69 HIS A CA 1
873
+ ATOM 491 C C . HIS A 1 69 ? 40.449 45.565 36.154 1.00 9.98 ? 69 HIS A C 1
874
+ ATOM 492 O O . HIS A 1 69 ? 39.771 44.901 36.940 1.00 10.43 ? 69 HIS A O 1
875
+ ATOM 493 C CB . HIS A 1 69 ? 39.647 47.875 35.554 1.00 9.63 ? 69 HIS A CB 1
876
+ ATOM 494 C CG . HIS A 1 69 ? 39.591 49.315 35.948 1.00 9.37 ? 69 HIS A CG 1
877
+ ATOM 495 N ND1 . HIS A 1 69 ? 39.212 49.726 37.206 1.00 10.19 ? 69 HIS A ND1 1
878
+ ATOM 496 C CD2 . HIS A 1 69 ? 39.911 50.440 35.263 1.00 10.10 ? 69 HIS A CD2 1
879
+ ATOM 497 C CE1 . HIS A 1 69 ? 39.297 51.042 37.285 1.00 10.91 ? 69 HIS A CE1 1
880
+ ATOM 498 N NE2 . HIS A 1 69 ? 39.716 51.500 36.119 1.00 10.94 ? 69 HIS A NE2 1
881
+ ATOM 499 N N . LEU A 1 70 ? 41.032 45.024 35.081 1.00 8.44 ? 70 LEU A N 1
882
+ ATOM 500 C CA . LEU A 1 70 ? 40.891 43.591 34.827 1.00 9.74 ? 70 LEU A CA 1
883
+ ATOM 501 C C . LEU A 1 70 ? 41.589 42.756 35.909 1.00 9.38 ? 70 LEU A C 1
884
+ ATOM 502 O O . LEU A 1 70 ? 41.150 41.649 36.249 1.00 8.81 ? 70 LEU A O 1
885
+ ATOM 503 C CB . LEU A 1 70 ? 41.383 43.236 33.430 1.00 9.92 ? 70 LEU A CB 1
886
+ ATOM 504 C CG . LEU A 1 70 ? 40.397 43.706 32.356 1.00 10.43 ? 70 LEU A CG 1
887
+ ATOM 505 C CD1 . LEU A 1 70 ? 41.055 43.666 30.994 1.00 11.11 ? 70 LEU A CD1 1
888
+ ATOM 506 C CD2 . LEU A 1 70 ? 39.172 42.809 32.385 1.00 10.80 ? 70 LEU A CD2 1
889
+ ATOM 507 N N . THR A 1 71 ? 42.679 43.287 36.457 1.00 9.11 ? 71 THR A N 1
890
+ ATOM 508 C CA . THR A 1 71 ? 43.374 42.592 37.543 1.00 9.27 ? 71 THR A CA 1
891
+ ATOM 509 C C . THR A 1 71 ? 42.459 42.600 38.782 1.00 7.54 ? 71 THR A C 1
892
+ ATOM 510 O O . THR A 1 71 ? 42.390 41.613 39.528 1.00 8.07 ? 71 THR A O 1
893
+ ATOM 511 C CB . THR A 1 71 ? 44.709 43.288 37.868 1.00 10.52 ? 71 THR A CB 1
894
+ ATOM 512 O OG1 . THR A 1 71 ? 45.605 43.118 36.754 1.00 10.87 ? 71 THR A OG1 1
895
+ ATOM 513 C CG2 . THR A 1 71 ? 45.340 42.700 39.139 1.00 9.50 ? 71 THR A CG2 1
896
+ ATOM 514 N N . ASN A 1 72 ? 41.771 43.720 38.999 1.00 6.98 ? 72 ASN A N 1
897
+ ATOM 515 C CA . ASN A 1 72 ? 40.850 43.837 40.127 1.00 8.41 ? 72 ASN A CA 1
898
+ ATOM 516 C C . ASN A 1 72 ? 39.789 42.751 40.024 1.00 8.98 ? 72 ASN A C 1
899
+ ATOM 517 O O . ASN A 1 72 ? 39.451 42.123 41.017 1.00 9.73 ? 72 ASN A O 1
900
+ ATOM 518 C CB . ASN A 1 72 ? 40.155 45.202 40.164 1.00 8.70 ? 72 ASN A CB 1
901
+ ATOM 519 C CG . ASN A 1 72 ? 41.049 46.321 40.668 1.00 9.70 ? 72 ASN A CG 1
902
+ ATOM 520 O OD1 . ASN A 1 72 ? 40.744 47.505 40.466 1.00 12.04 ? 72 ASN A OD1 1
903
+ ATOM 521 N ND2 . ASN A 1 72 ? 42.133 45.970 41.338 1.00 10.05 ? 72 ASN A ND2 1
904
+ ATOM 522 N N . LEU A 1 73 ? 39.269 42.529 38.819 1.00 7.52 ? 73 LEU A N 1
905
+ ATOM 523 C CA . LEU A 1 73 ? 38.261 41.497 38.604 1.00 6.67 ? 73 LEU A CA 1
906
+ ATOM 524 C C . LEU A 1 73 ? 38.804 40.103 38.874 1.00 7.04 ? 73 LEU A C 1
907
+ ATOM 525 O O . LEU A 1 73 ? 38.121 39.276 39.473 1.00 8.55 ? 73 LEU A O 1
908
+ ATOM 526 C CB . LEU A 1 73 ? 37.678 41.604 37.186 1.00 7.17 ? 73 LEU A CB 1
909
+ ATOM 527 C CG . LEU A 1 73 ? 36.703 42.789 37.027 1.00 8.67 ? 73 LEU A CG 1
910
+ ATOM 528 C CD1 . LEU A 1 73 ? 36.362 43.069 35.559 1.00 7.02 ? 73 LEU A CD1 1
911
+ ATOM 529 C CD2 . LEU A 1 73 ? 35.414 42.461 37.816 1.00 11.60 ? 73 LEU A CD2 1
912
+ ATOM 530 N N . VAL A 1 74 ? 40.030 39.830 38.432 1.00 7.17 ? 74 VAL A N 1
913
+ ATOM 531 C CA . VAL A 1 74 ? 40.653 38.531 38.689 1.00 8.66 ? 74 VAL A CA 1
914
+ ATOM 532 C C . VAL A 1 74 ? 40.797 38.326 40.205 1.00 8.54 ? 74 VAL A C 1
915
+ ATOM 533 O O . VAL A 1 74 ? 40.381 37.292 40.742 1.00 10.54 ? 74 VAL A O 1
916
+ ATOM 534 C CB . VAL A 1 74 ? 42.060 38.417 38.007 1.00 7.31 ? 74 VAL A CB 1
917
+ ATOM 535 C CG1 . VAL A 1 74 ? 42.852 37.225 38.582 1.00 7.80 ? 74 VAL A CG1 1
918
+ ATOM 536 C CG2 . VAL A 1 74 ? 41.880 38.232 36.500 1.00 6.91 ? 74 VAL A CG2 1
919
+ ATOM 537 N N . ASN A 1 75 ? 41.283 39.350 40.898 1.00 8.25 ? 75 ASN A N 1
920
+ ATOM 538 C CA . ASN A 1 75 ? 41.485 39.262 42.343 1.00 9.12 ? 75 ASN A CA 1
921
+ ATOM 539 C C . ASN A 1 75 ? 40.184 39.172 43.144 1.00 10.43 ? 75 ASN A C 1
922
+ ATOM 540 O O . ASN A 1 75 ? 40.170 38.686 44.274 1.00 9.95 ? 75 ASN A O 1
923
+ ATOM 541 C CB . ASN A 1 75 ? 42.328 40.434 42.814 1.00 10.96 ? 75 ASN A CB 1
924
+ ATOM 542 C CG . ASN A 1 75 ? 43.745 40.401 42.232 1.00 13.63 ? 75 ASN A CG 1
925
+ ATOM 543 O OD1 . ASN A 1 75 ? 44.188 39.380 41.693 1.00 14.08 ? 75 ASN A OD1 1
926
+ ATOM 544 N ND2 . ASN A 1 75 ? 44.454 41.520 42.334 1.00 14.19 ? 75 ASN A ND2 1
927
+ ATOM 545 N N . HIS A 1 76 ? 39.093 39.627 42.542 1.00 9.80 ? 76 HIS A N 1
928
+ ATOM 546 C CA . HIS A 1 76 ? 37.783 39.593 43.181 1.00 9.61 ? 76 HIS A CA 1
929
+ ATOM 547 C C . HIS A 1 76 ? 37.181 38.204 43.130 1.00 9.12 ? 76 HIS A C 1
930
+ ATOM 548 O O . HIS A 1 76 ? 36.215 37.905 43.843 1.00 10.36 ? 76 HIS A O 1
931
+ ATOM 549 C CB . HIS A 1 76 ? 36.834 40.575 42.497 1.00 9.03 ? 76 HIS A CB 1
932
+ ATOM 550 C CG . HIS A 1 76 ? 35.704 41.014 43.375 1.00 9.71 ? 76 HIS A CG 1
933
+ ATOM 551 N ND1 . HIS A 1 76 ? 34.386 40.729 43.092 1.00 12.71 ? 76 HIS A ND1 1
934
+ ATOM 552 C CD2 . HIS A 1 76 ? 35.700 41.700 44.542 1.00 7.52 ? 76 HIS A CD2 1
935
+ ATOM 553 C CE1 . HIS A 1 76 ? 33.617 41.221 44.052 1.00 9.17 ? 76 HIS A CE1 1
936
+ ATOM 554 N NE2 . HIS A 1 76 ? 34.391 41.811 44.941 1.00 12.09 ? 76 HIS A NE2 1
937
+ ATOM 555 N N . GLY A 1 77 ? 37.713 37.360 42.257 1.00 7.58 ? 77 GLY A N 1
938
+ ATOM 556 C CA . GLY A 1 77 ? 37.195 36.010 42.151 1.00 7.97 ? 77 GLY A CA 1
939
+ ATOM 557 C C . GLY A 1 77 ? 36.295 35.779 40.951 1.00 7.57 ? 77 GLY A C 1
940
+ ATOM 558 O O . GLY A 1 77 ? 35.717 34.703 40.827 1.00 7.63 ? 77 GLY A O 1
941
+ ATOM 559 N N . CYS A 1 78 ? 36.159 36.778 40.077 1.00 8.67 ? 78 CYS A N 1
942
+ ATOM 560 C CA . CYS A 1 78 ? 35.317 36.621 38.879 1.00 9.50 ? 78 CYS A CA 1
943
+ ATOM 561 C C . CYS A 1 78 ? 36.038 35.765 37.841 1.00 10.24 ? 78 CYS A C 1
944
+ ATOM 562 O O . CYS A 1 78 ? 36.999 36.214 37.229 1.00 12.73 ? 78 CYS A O 1
945
+ ATOM 563 C CB . CYS A 1 78 ? 34.958 37.969 38.259 1.00 8.86 ? 78 CYS A CB 1
946
+ ATOM 564 S SG . CYS A 1 78 ? 34.181 39.188 39.360 1.00 8.40 ? 78 CYS A SG 1
947
+ ATOM 565 N N . ARG A 1 79 ? 35.557 34.549 37.620 1.00 9.89 ? 79 ARG A N 1
948
+ ATOM 566 C CA . ARG A 1 79 ? 36.189 33.651 36.667 1.00 11.39 ? 79 ARG A CA 1
949
+ ATOM 567 C C . ARG A 1 79 ? 35.998 33.975 35.194 1.00 12.23 ? 79 ARG A C 1
950
+ ATOM 568 O O . ARG A 1 79 ? 36.914 33.750 34.406 1.00 11.43 ? 79 ARG A O 1
951
+ ATOM 569 C CB . ARG A 1 79 ? 35.752 32.209 36.907 1.00 13.49 ? 79 ARG A CB 1
952
+ ATOM 570 C CG . ARG A 1 79 ? 36.427 31.196 35.965 1.00 16.26 ? 79 ARG A CG 1
953
+ ATOM 571 C CD . ARG A 1 79 ? 35.978 29.753 36.238 1.00 19.37 ? 79 ARG A CD 1
954
+ ATOM 572 N NE . ARG A 1 79 ? 34.554 29.531 35.989 1.00 21.44 ? 79 ARG A NE 1
955
+ ATOM 573 C CZ . ARG A 1 79 ? 34.033 29.222 34.801 1.00 23.28 ? 79 ARG A CZ 1
956
+ ATOM 574 N NH1 . ARG A 1 79 ? 34.805 29.089 33.730 1.00 21.60 ? 79 ARG A NH1 1
957
+ ATOM 575 N NH2 . ARG A 1 79 ? 32.725 29.078 34.671 1.00 24.53 ? 79 ARG A NH2 1
958
+ ATOM 576 N N . VAL A 1 80 ? 34.815 34.471 34.812 1.00 10.99 ? 80 VAL A N 1
959
+ ATOM 577 C CA . VAL A 1 80 ? 34.520 34.756 33.405 1.00 10.10 ? 80 VAL A CA 1
960
+ ATOM 578 C C . VAL A 1 80 ? 33.979 36.157 33.099 1.00 9.75 ? 80 VAL A C 1
961
+ ATOM 579 O O . VAL A 1 80 ? 34.411 36.793 32.135 1.00 10.96 ? 80 VAL A O 1
962
+ ATOM 580 C CB . VAL A 1 80 ? 33.498 33.725 32.826 1.00 11.02 ? 80 VAL A CB 1
963
+ ATOM 581 C CG1 . VAL A 1 80 ? 33.341 33.906 31.333 1.00 10.05 ? 80 VAL A CG1 1
964
+ ATOM 582 C CG2 . VAL A 1 80 ? 33.911 32.310 33.137 1.00 13.03 ? 80 VAL A CG2 1
965
+ ATOM 583 N N . CYS A 1 81 ? 33.035 36.643 33.906 1.00 9.00 ? 81 CYS A N 1
966
+ ATOM 584 C CA . CYS A 1 81 ? 32.442 37.955 33.660 1.00 6.85 ? 81 CYS A CA 1
967
+ ATOM 585 C C . CYS A 1 81 ? 32.363 38.744 34.939 1.00 7.88 ? 81 CYS A C 1
968
+ ATOM 586 O O . CYS A 1 81 ? 32.462 38.169 36.019 1.00 10.42 ? 81 CYS A O 1
969
+ ATOM 587 C CB . CYS A 1 81 ? 31.027 37.812 33.082 1.00 9.39 ? 81 CYS A CB 1
970
+ ATOM 588 S SG . CYS A 1 81 ? 30.954 36.872 31.531 1.00 11.09 ? 81 CYS A SG 1
971
+ ATOM 589 N N . GLY A 1 82 ? 32.175 40.052 34.806 1.00 9.75 ? 82 GLY A N 1
972
+ ATOM 590 C CA . GLY A 1 82 ? 32.082 40.940 35.955 1.00 9.64 ? 82 GLY A CA 1
973
+ ATOM 591 C C . GLY A 1 82 ? 32.406 42.355 35.524 1.00 9.90 ? 82 GLY A C 1
974
+ ATOM 592 O O . GLY A 1 82 ? 32.825 42.574 34.390 1.00 12.49 ? 82 GLY A O 1
975
+ ATOM 593 N N . SER A 1 83 ? 32.247 43.320 36.413 1.00 6.97 ? 83 SER A N 1
976
+ ATOM 594 C CA . SER A 1 83 ? 32.521 44.701 36.068 1.00 8.02 ? 83 SER A CA 1
977
+ ATOM 595 C C . SER A 1 83 ? 33.194 45.403 37.229 1.00 8.26 ? 83 SER A C 1
978
+ ATOM 596 O O . SER A 1 83 ? 32.950 45.071 38.387 1.00 8.41 ? 83 SER A O 1
979
+ ATOM 597 C CB . SER A 1 83 ? 31.221 45.444 35.742 1.00 7.32 ? 83 SER A CB 1
980
+ ATOM 598 O OG . SER A 1 83 ? 30.560 44.881 34.618 1.00 8.75 ? 83 SER A OG 1
981
+ ATOM 599 N N . ASP A 1 84 ? 34.042 46.373 36.905 1.00 8.64 ? 84 ASP A N 1
982
+ ATOM 600 C CA . ASP A 1 84 ? 34.750 47.161 37.896 1.00 10.36 ? 84 ASP A CA 1
983
+ ATOM 601 C C . ASP A 1 84 ? 34.508 48.639 37.632 1.00 10.89 ? 84 ASP A C 1
984
+ ATOM 602 O O . ASP A 1 84 ? 34.664 49.107 36.503 1.00 11.36 ? 84 ASP A O 1
985
+ ATOM 603 C CB . ASP A 1 84 ? 36.258 46.886 37.822 1.00 12.10 ? 84 ASP A CB 1
986
+ ATOM 604 C CG . ASP A 1 84 ? 37.000 47.389 39.051 1.00 14.29 ? 84 ASP A CG 1
987
+ ATOM 605 O OD1 . ASP A 1 84 ? 36.364 47.452 40.131 1.00 13.34 ? 84 ASP A OD1 1
988
+ ATOM 606 O OD2 . ASP A 1 84 ? 38.205 47.711 38.942 1.00 10.12 ? 84 ASP A OD2 1
989
+ ATOM 607 N N . PRO A 1 85 ? 34.062 49.391 38.649 1.00 11.05 ? 85 PRO A N 1
990
+ ATOM 608 C CA . PRO A 1 85 ? 33.837 50.821 38.404 1.00 10.97 ? 85 PRO A CA 1
991
+ ATOM 609 C C . PRO A 1 85 ? 35.171 51.489 38.053 1.00 12.62 ? 85 PRO A C 1
992
+ ATOM 610 O O . PRO A 1 85 ? 36.224 51.066 38.535 1.00 13.60 ? 85 PRO A O 1
993
+ ATOM 611 C CB . PRO A 1 85 ? 33.260 51.312 39.738 1.00 11.85 ? 85 PRO A CB 1
994
+ ATOM 612 C CG . PRO A 1 85 ? 33.721 50.297 40.740 1.00 11.81 ? 85 PRO A CG 1
995
+ ATOM 613 C CD . PRO A 1 85 ? 33.605 49.002 39.993 1.00 11.65 ? 85 PRO A CD 1
996
+ ATOM 614 N N . LEU A 1 86 ? 35.142 52.471 37.164 1.00 14.32 ? 86 LEU A N 1
997
+ ATOM 615 C CA . LEU A 1 86 ? 36.367 53.152 36.748 1.00 18.47 ? 86 LEU A CA 1
998
+ ATOM 616 C C . LEU A 1 86 ? 36.857 54.201 37.745 1.00 21.36 ? 86 LEU A C 1
999
+ ATOM 617 O O . LEU A 1 86 ? 38.055 54.398 37.931 1.00 20.32 ? 86 LEU A O 1
1000
+ ATOM 618 C CB . LEU A 1 86 ? 36.151 53.850 35.404 1.00 17.21 ? 86 LEU A CB 1
1001
+ ATOM 619 C CG . LEU A 1 86 ? 35.822 52.988 34.186 1.00 17.75 ? 86 LEU A CG 1
1002
+ ATOM 620 C CD1 . LEU A 1 86 ? 35.687 53.892 32.953 1.00 17.57 ? 86 LEU A CD1 1
1003
+ ATOM 621 C CD2 . LEU A 1 86 ? 36.918 51.917 33.985 1.00 17.12 ? 86 LEU A CD2 1
1004
+ ATOM 622 N N . TYR A 1 87 ? 35.910 54.861 38.387 1.00 24.35 ? 87 TYR A N 1
1005
+ ATOM 623 C CA . TYR A 1 87 ? 36.235 55.937 39.284 1.00 28.80 ? 87 TYR A CA 1
1006
+ ATOM 624 C C . TYR A 1 87 ? 36.099 55.595 40.748 1.00 31.68 ? 87 TYR A C 1
1007
+ ATOM 625 O O . TYR A 1 87 ? 35.230 54.805 41.148 1.00 30.29 ? 87 TYR A O 1
1008
+ ATOM 626 C CB . TYR A 1 87 ? 35.428 57.167 38.872 1.00 29.66 ? 87 TYR A CB 1
1009
+ ATOM 627 C CG . TYR A 1 87 ? 35.582 57.427 37.386 1.00 31.17 ? 87 TYR A CG 1
1010
+ ATOM 628 C CD1 . TYR A 1 87 ? 36.815 57.820 36.853 1.00 31.84 ? 87 TYR A CD1 1
1011
+ ATOM 629 C CD2 . TYR A 1 87 ? 34.531 57.189 36.502 1.00 31.25 ? 87 TYR A CD2 1
1012
+ ATOM 630 C CE1 . TYR A 1 87 ? 37.001 57.961 35.481 1.00 31.63 ? 87 TYR A CE1 1
1013
+ ATOM 631 C CE2 . TYR A 1 87 ? 34.707 57.329 35.121 1.00 32.60 ? 87 TYR A CE2 1
1014
+ ATOM 632 C CZ . TYR A 1 87 ? 35.946 57.715 34.627 1.00 31.91 ? 87 TYR A CZ 1
1015
+ ATOM 633 O OH . TYR A 1 87 ? 36.125 57.848 33.277 1.00 33.10 ? 87 TYR A OH 1
1016
+ ATOM 634 N N . ALA A 1 88 ? 37.003 56.183 41.528 1.00 34.28 ? 88 ALA A N 1
1017
+ ATOM 635 C CA . ALA A 1 88 ? 37.095 55.966 42.962 1.00 37.29 ? 88 ALA A CA 1
1018
+ ATOM 636 C C . ALA A 1 88 ? 35.781 56.150 43.706 1.00 37.78 ? 88 ALA A C 1
1019
+ ATOM 637 O O . ALA A 1 88 ? 35.001 57.057 43.402 1.00 37.72 ? 88 ALA A O 1
1020
+ ATOM 638 C CB . ALA A 1 88 ? 38.178 56.866 43.556 1.00 39.04 ? 88 ALA A CB 1
1021
+ ATOM 639 N N . GLY A 1 89 ? 35.537 55.247 44.651 1.00 38.96 ? 89 GLY A N 1
1022
+ ATOM 640 C CA . GLY A 1 89 ? 34.341 55.280 45.468 1.00 41.71 ? 89 GLY A CA 1
1023
+ ATOM 641 C C . GLY A 1 89 ? 33.066 55.549 44.702 1.00 43.14 ? 89 GLY A C 1
1024
+ ATOM 642 O O . GLY A 1 89 ? 32.113 56.113 45.241 1.00 44.67 ? 89 GLY A O 1
1025
+ ATOM 643 N N . ASN A 1 90 ? 33.010 55.057 43.469 1.00 44.24 ? 90 ASN A N 1
1026
+ ATOM 644 C CA . ASN A 1 90 ? 31.838 55.256 42.638 1.00 43.06 ? 90 ASN A CA 1
1027
+ ATOM 645 C C . ASN A 1 90 ? 31.038 53.995 42.303 1.00 41.48 ? 90 ASN A C 1
1028
+ ATOM 646 O O . ASN A 1 90 ? 31.453 52.854 42.553 1.00 37.78 ? 90 ASN A O 1
1029
+ ATOM 647 C CB . ASN A 1 90 ? 32.201 56.013 41.353 1.00 44.22 ? 90 ASN A CB 1
1030
+ ATOM 648 C CG . ASN A 1 90 ? 32.059 57.519 41.506 1.00 45.48 ? 90 ASN A CG 1
1031
+ ATOM 649 O OD1 . ASN A 1 90 ? 30.977 58.081 41.295 1.00 44.98 ? 90 ASN A OD1 1
1032
+ ATOM 650 N ND2 . ASN A 1 90 ? 33.155 58.182 41.859 1.00 45.36 ? 90 ASN A ND2 1
1033
+ ATOM 651 N N . ASP A 1 91 ? 29.827 54.250 41.831 1.00 39.84 ? 91 ASP A N 1
1034
+ ATOM 652 C CA . ASP A 1 91 ? 28.914 53.217 41.422 1.00 38.81 ? 91 ASP A CA 1
1035
+ ATOM 653 C C . ASP A 1 91 ? 29.331 52.940 39.974 1.00 36.10 ? 91 ASP A C 1
1036
+ ATOM 654 O O . ASP A 1 91 ? 29.795 53.851 39.263 1.00 36.51 ? 91 ASP A O 1
1037
+ ATOM 655 C CB . ASP A 1 91 ? 27.480 53.783 41.486 1.00 41.12 ? 91 ASP A CB 1
1038
+ ATOM 656 C CG . ASP A 1 91 ? 26.388 52.754 41.133 1.00 43.11 ? 91 ASP A CG 1
1039
+ ATOM 657 O OD1 . ASP A 1 91 ? 26.663 51.558 40.923 1.00 45.44 ? 91 ASP A OD1 1
1040
+ ATOM 658 O OD2 . ASP A 1 91 ? 25.212 53.158 41.065 1.00 46.27 ? 91 ASP A OD2 1
1041
+ ATOM 659 N N . VAL A 1 92 ? 29.195 51.691 39.540 1.00 30.05 ? 92 VAL A N 1
1042
+ ATOM 660 C CA . VAL A 1 92 ? 29.511 51.343 38.170 1.00 26.27 ? 92 VAL A CA 1
1043
+ ATOM 661 C C . VAL A 1 92 ? 28.695 52.242 37.244 1.00 26.90 ? 92 VAL A C 1
1044
+ ATOM 662 O O . VAL A 1 92 ? 29.033 52.404 36.086 1.00 25.44 ? 92 VAL A O 1
1045
+ ATOM 663 C CB . VAL A 1 92 ? 29.195 49.868 37.872 1.00 25.46 ? 92 VAL A CB 1
1046
+ ATOM 664 C CG1 . VAL A 1 92 ? 30.207 48.964 38.559 1.00 23.79 ? 92 VAL A CG1 1
1047
+ ATOM 665 C CG2 . VAL A 1 92 ? 27.777 49.521 38.304 1.00 23.81 ? 92 VAL A CG2 1
1048
+ ATOM 666 N N . SER A 1 93 ? 27.647 52.862 37.788 1.00 29.46 ? 93 SER A N 1
1049
+ ATOM 667 C CA . SER A 1 93 ? 26.763 53.763 37.036 1.00 31.21 ? 93 SER A CA 1
1050
+ ATOM 668 C C . SER A 1 93 ? 27.494 54.955 36.429 1.00 30.70 ? 93 SER A C 1
1051
+ ATOM 669 O O . SER A 1 93 ? 27.017 55.552 35.455 1.00 32.70 ? 93 SER A O 1
1052
+ ATOM 670 C CB . SER A 1 93 ? 25.615 54.275 37.928 1.00 31.71 ? 93 SER A CB 1
1053
+ ATOM 671 O OG . SER A 1 93 ? 26.080 55.142 38.962 1.00 31.67 ? 93 SER A OG 1
1054
+ ATOM 672 N N . ARG A 1 94 ? 28.622 55.326 37.031 1.00 30.87 ? 94 ARG A N 1
1055
+ ATOM 673 C CA . ARG A 1 94 ? 29.409 56.445 36.528 1.00 30.83 ? 94 ARG A CA 1
1056
+ ATOM 674 C C . ARG A 1 94 ? 30.584 56.038 35.642 1.00 26.38 ? 94 ARG A C 1
1057
+ ATOM 675 O O . ARG A 1 94 ? 31.467 56.852 35.358 1.00 25.20 ? 94 ARG A O 1
1058
+ ATOM 676 C CB . ARG A 1 94 ? 29.873 57.363 37.662 1.00 35.03 ? 94 ARG A CB 1
1059
+ ATOM 677 C CG . ARG A 1 94 ? 28.936 58.553 37.855 1.00 40.18 ? 94 ARG A CG 1
1060
+ ATOM 678 C CD . ARG A 1 94 ? 27.516 58.060 38.081 1.00 44.52 ? 94 ARG A CD 1
1061
+ ATOM 679 N NE . ARG A 1 94 ? 26.510 59.111 37.988 1.00 48.13 ? 94 ARG A NE 1
1062
+ ATOM 680 C CZ . ARG A 1 94 ? 25.204 58.894 38.131 1.00 50.96 ? 94 ARG A CZ 1
1063
+ ATOM 681 N NH1 . ARG A 1 94 ? 24.753 57.667 38.371 1.00 52.42 ? 94 ARG A NH1 1
1064
+ ATOM 682 N NH2 . ARG A 1 94 ? 24.344 59.901 38.045 1.00 51.80 ? 94 ARG A NH2 1
1065
+ ATOM 683 N N . GLY A 1 95 ? 30.569 54.791 35.186 1.00 20.86 ? 95 GLY A N 1
1066
+ ATOM 684 C CA . GLY A 1 95 ? 31.627 54.312 34.320 1.00 16.52 ? 95 GLY A CA 1
1067
+ ATOM 685 C C . GLY A 1 95 ? 32.160 53.009 34.857 1.00 13.51 ? 95 GLY A C 1
1068
+ ATOM 686 O O . GLY A 1 95 ? 32.497 52.920 36.031 1.00 13.17 ? 95 GLY A O 1
1069
+ ATOM 687 N N . GLN A 1 96 ? 32.284 52.012 33.993 1.00 11.71 ? 96 GLN A N 1
1070
+ ATOM 688 C CA . GLN A 1 96 ? 32.771 50.709 34.421 1.00 12.24 ? 96 GLN A CA 1
1071
+ ATOM 689 C C . GLN A 1 96 ? 33.460 49.974 33.285 1.00 12.55 ? 96 GLN A C 1
1072
+ ATOM 690 O O . GLN A 1 96 ? 33.226 50.270 32.104 1.00 12.24 ? 96 GLN A O 1
1073
+ ATOM 691 C CB . GLN A 1 96 ? 31.577 49.859 34.888 1.00 10.95 ? 96 GLN A CB 1
1074
+ ATOM 692 C CG . GLN A 1 96 ? 30.510 49.700 33.801 1.00 11.02 ? 96 GLN A CG 1
1075
+ ATOM 693 C CD . GLN A 1 96 ? 29.280 48.922 34.243 1.00 12.50 ? 96 GLN A CD 1
1076
+ ATOM 694 O OE1 . GLN A 1 96 ? 29.389 47.862 34.853 1.00 13.54 ? 96 GLN A OE1 1
1077
+ ATOM 695 N NE2 . GLN A 1 96 ? 28.107 49.419 33.887 1.00 11.34 ? 96 GLN A NE2 1
1078
+ ATOM 696 N N . LEU A 1 97 ? 34.347 49.045 33.631 1.00 12.43 ? 97 LEU A N 1
1079
+ ATOM 697 C CA . LEU A 1 97 ? 34.968 48.232 32.603 1.00 13.14 ? 97 LEU A CA 1
1080
+ ATOM 698 C C . LEU A 1 97 ? 34.217 46.930 32.826 1.00 11.56 ? 97 LEU A C 1
1081
+ ATOM 699 O O . LEU A 1 97 ? 34.255 46.367 33.919 1.00 10.29 ? 97 LEU A O 1
1082
+ ATOM 700 C CB . LEU A 1 97 ? 36.468 48.025 32.862 0.37 14.63 ? 97 LEU A CB 1
1083
+ ATOM 701 C CG . LEU A 1 97 ? 37.193 47.135 31.837 0.37 15.59 ? 97 LEU A CG 1
1084
+ ATOM 702 C CD1 . LEU A 1 97 ? 37.083 47.746 30.451 0.37 14.72 ? 97 LEU A CD1 1
1085
+ ATOM 703 C CD2 . LEU A 1 97 ? 38.654 46.964 32.221 0.37 16.93 ? 97 LEU A CD2 1
1086
+ ATOM 704 N N . THR A 1 98 ? 33.517 46.479 31.792 1.00 9.95 ? 98 THR A N 1
1087
+ ATOM 705 C CA . THR A 1 98 ? 32.705 45.284 31.866 1.00 8.79 ? 98 THR A CA 1
1088
+ ATOM 706 C C . THR A 1 98 ? 33.242 44.184 30.988 1.00 7.73 ? 98 THR A C 1
1089
+ ATOM 707 O O . THR A 1 98 ? 33.768 44.434 29.918 1.00 8.57 ? 98 THR A O 1
1090
+ ATOM 708 C CB . THR A 1 98 ? 31.238 45.612 31.402 1.00 9.03 ? 98 THR A CB 1
1091
+ ATOM 709 O OG1 . THR A 1 98 ? 30.679 46.590 32.277 1.00 9.68 ? 98 THR A OG1 1
1092
+ ATOM 710 C CG2 . THR A 1 98 ? 30.344 44.360 31.374 1.00 7.99 ? 98 THR A CG2 1
1093
+ ATOM 711 N N . VAL A 1 99 ? 33.146 42.966 31.493 1.00 6.93 ? 99 VAL A N 1
1094
+ ATOM 712 C CA . VAL A 1 99 ? 33.525 41.781 30.759 1.00 8.81 ? 99 VAL A CA 1
1095
+ ATOM 713 C C . VAL A 1 99 ? 32.232 40.966 30.749 1.00 8.54 ? 99 VAL A C 1
1096
+ ATOM 714 O O . VAL A 1 99 ? 31.726 40.564 31.808 1.00 7.73 ? 99 VAL A O 1
1097
+ ATOM 715 C CB . VAL A 1 99 ? 34.641 41.005 31.462 1.00 7.68 ? 99 VAL A CB 1
1098
+ ATOM 716 C CG1 . VAL A 1 99 ? 34.999 39.751 30.651 1.00 6.13 ? 99 VAL A CG1 1
1099
+ ATOM 717 C CG2 . VAL A 1 99 ? 35.861 41.923 31.633 1.00 7.45 ? 99 VAL A CG2 1
1100
+ ATOM 718 N N . ASN A 1 100 ? 31.689 40.731 29.565 1.00 9.65 ? 100 ASN A N 1
1101
+ ATOM 719 C CA . ASN A 1 100 ? 30.433 39.992 29.466 1.00 10.75 ? 100 ASN A CA 1
1102
+ ATOM 720 C C . ASN A 1 100 ? 30.355 39.264 28.138 1.00 11.99 ? 100 ASN A C 1
1103
+ ATOM 721 O O . ASN A 1 100 ? 31.134 39.527 27.205 1.00 11.27 ? 100 ASN A O 1
1104
+ ATOM 722 C CB . ASN A 1 100 ? 29.254 40.996 29.579 1.00 11.08 ? 100 ASN A CB 1
1105
+ ATOM 723 C CG . ASN A 1 100 ? 27.893 40.328 29.904 1.00 11.04 ? 100 ASN A CG 1
1106
+ ATOM 724 O OD1 . ASN A 1 100 ? 27.804 39.130 30.203 1.00 10.50 ? 100 ASN A OD1 1
1107
+ ATOM 725 N ND2 . ASN A 1 100 ? 26.834 41.129 29.848 1.00 10.37 ? 100 ASN A ND2 1
1108
+ ATOM 726 N N . TYR A 1 101 ? 29.434 38.315 28.079 1.00 13.39 ? 101 TYR A N 1
1109
+ ATOM 727 C CA . TYR A 1 101 ? 29.172 37.549 26.875 1.00 15.09 ? 101 TYR A CA 1
1110
+ ATOM 728 C C . TYR A 1 101 ? 28.632 38.508 25.790 1.00 15.84 ? 101 TYR A C 1
1111
+ ATOM 729 O O . TYR A 1 101 ? 27.871 39.441 26.095 1.00 13.92 ? 101 TYR A O 1
1112
+ ATOM 730 C CB . TYR A 1 101 ? 28.108 36.494 27.187 1.00 16.83 ? 101 TYR A CB 1
1113
+ ATOM 731 C CG . TYR A 1 101 ? 27.682 35.678 25.995 1.00 18.25 ? 101 TYR A CG 1
1114
+ ATOM 732 C CD1 . TYR A 1 101 ? 28.377 34.523 25.627 1.00 19.58 ? 101 TYR A CD1 1
1115
+ ATOM 733 C CD2 . TYR A 1 101 ? 26.549 36.024 25.262 1.00 19.41 ? 101 TYR A CD2 1
1116
+ ATOM 734 C CE1 . TYR A 1 101 ? 27.943 33.729 24.564 1.00 19.37 ? 101 TYR A CE1 1
1117
+ ATOM 735 C CE2 . TYR A 1 101 ? 26.112 35.235 24.194 1.00 19.78 ? 101 TYR A CE2 1
1118
+ ATOM 736 C CZ . TYR A 1 101 ? 26.808 34.091 23.857 1.00 20.85 ? 101 TYR A CZ 1
1119
+ ATOM 737 O OH . TYR A 1 101 ? 26.354 33.285 22.828 1.00 21.96 ? 101 TYR A OH 1
1120
+ ATOM 738 N N . VAL A 1 102 ? 29.025 38.270 24.538 1.00 14.51 ? 102 VAL A N 1
1121
+ ATOM 739 C CA . VAL A 1 102 ? 28.586 39.070 23.395 1.00 14.82 ? 102 VAL A CA 1
1122
+ ATOM 740 C C . VAL A 1 102 ? 28.291 38.047 22.292 1.00 15.71 ? 102 VAL A C 1
1123
+ ATOM 741 O O . VAL A 1 102 ? 29.002 37.052 22.150 1.00 15.64 ? 102 VAL A O 1
1124
+ ATOM 742 C CB . VAL A 1 102 ? 29.668 40.105 22.953 1.00 15.60 ? 102 VAL A CB 1
1125
+ ATOM 743 C CG1 . VAL A 1 102 ? 29.236 40.831 21.686 1.00 16.22 ? 102 VAL A CG1 1
1126
+ ATOM 744 C CG2 . VAL A 1 102 ? 29.890 41.137 24.053 1.00 15.51 ? 102 VAL A CG2 1
1127
+ ATOM 745 N N . ASN A 1 103 ? 27.232 38.272 21.530 1.00 18.77 ? 103 ASN A N 1
1128
+ ATOM 746 C CA . ASN A 1 103 ? 26.834 37.330 20.480 1.00 21.06 ? 103 ASN A CA 1
1129
+ ATOM 747 C C . ASN A 1 103 ? 27.597 37.479 19.179 1.00 22.20 ? 103 ASN A C 1
1130
+ ATOM 748 O O . ASN A 1 103 ? 27.033 37.243 18.108 1.00 21.82 ? 103 ASN A O 1
1131
+ ATOM 749 C CB . ASN A 1 103 ? 25.330 37.467 20.209 0.43 23.33 ? 103 ASN A CB 1
1132
+ ATOM 750 C CG . ASN A 1 103 ? 24.926 38.886 19.827 0.43 25.09 ? 103 ASN A CG 1
1133
+ ATOM 751 O OD1 . ASN A 1 103 ? 25.733 39.815 19.921 0.43 25.96 ? 103 ASN A OD1 1
1134
+ ATOM 752 N ND2 . ASN A 1 103 ? 23.683 39.056 19.424 0.43 27.03 ? 103 ASN A ND2 1
1135
+ ATOM 753 N N . SER A 1 104 ? 28.871 37.842 19.261 1.00 20.41 ? 104 SER A N 1
1136
+ ATOM 754 C CA . SER A 1 104 ? 29.675 37.997 18.071 1.00 19.94 ? 104 SER A CA 1
1137
+ ATOM 755 C C . SER A 1 104 ? 31.116 37.989 18.525 1.00 19.78 ? 104 SER A C 1
1138
+ ATOM 756 O O . SER A 1 104 ? 31.403 38.092 19.741 1.00 16.92 ? 104 SER A O 1
1139
+ ATOM 757 C CB . SER A 1 104 ? 29.333 39.325 17.359 0.61 19.08 ? 104 SER A CB 1
1140
+ ATOM 758 O OG . SER A 1 104 ? 29.417 40.425 18.241 0.61 19.09 ? 104 SER A OG 1
1141
+ ATOM 759 N N . CYS A 1 105 ? 32.017 37.642 17.617 0.48 19.25 ? 105 CYS A N 1
1142
+ ATOM 760 C CA . CYS A 1 105 ? 33.447 37.683 17.867 0.48 19.04 ? 105 CYS A CA 1
1143
+ ATOM 761 C C . CYS A 1 105 ? 33.985 38.927 17.140 0.48 19.78 ? 105 CYS A C 1
1144
+ ATOM 762 O O . CYS A 1 105 ? 33.794 39.022 15.908 0.48 19.74 ? 105 CYS A O 1
1145
+ ATOM 763 C CB . CYS A 1 105 ? 34.136 36.409 17.353 0.48 19.07 ? 105 CYS A CB 1
1146
+ ATOM 764 S SG . CYS A 1 105 ? 35.958 36.421 17.455 0.48 18.85 ? 105 CYS A SG 1
1147
+ ATOM 765 O OXT . CYS A 1 105 ? 34.546 39.809 17.824 0.48 19.47 ? 105 CYS A OXT 1
1148
+ #
1149
+ loop_
1150
+ _pdbx_audit_revision_history.ordinal
1151
+ _pdbx_audit_revision_history.data_content_type
1152
+ _pdbx_audit_revision_history.major_revision
1153
+ _pdbx_audit_revision_history.minor_revision
1154
+ _pdbx_audit_revision_history.revision_date
1155
+ 1 'Structure model' 1 0 1995-10-31
1156
+ 2 'Structure model' 1 1 2008-03-24
1157
+ 3 'Structure model' 1 2 2011-07-13
1158
+ #
mmcifs/1KQ1_A.cif ADDED
@@ -0,0 +1,752 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_1KQ1_A
2
+ #
3
+ _pdbx_database_status.entry_id 1KQ1_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 NIQDKALENFKANQTEVTVFFLNGFQMKGVIEEYDKYVVSLNSQGKQHLIYKHAISTYTV
21
+ _entity_poly.pdbx_seq_one_letter_code_can NIQDKALENFKANQTEVTVFFLNGFQMKGVIEEYDKYVVSLNSQGKQHLIYKHAISTYTV
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 ASN n
31
+ 1 2 ILE n
32
+ 1 3 GLN n
33
+ 1 4 ASP n
34
+ 1 5 LYS n
35
+ 1 6 ALA n
36
+ 1 7 LEU n
37
+ 1 8 GLU n
38
+ 1 9 ASN n
39
+ 1 10 PHE n
40
+ 1 11 LYS n
41
+ 1 12 ALA n
42
+ 1 13 ASN n
43
+ 1 14 GLN n
44
+ 1 15 THR n
45
+ 1 16 GLU n
46
+ 1 17 VAL n
47
+ 1 18 THR n
48
+ 1 19 VAL n
49
+ 1 20 PHE n
50
+ 1 21 PHE n
51
+ 1 22 LEU n
52
+ 1 23 ASN n
53
+ 1 24 GLY n
54
+ 1 25 PHE n
55
+ 1 26 GLN n
56
+ 1 27 MET n
57
+ 1 28 LYS n
58
+ 1 29 GLY n
59
+ 1 30 VAL n
60
+ 1 31 ILE n
61
+ 1 32 GLU n
62
+ 1 33 GLU n
63
+ 1 34 TYR n
64
+ 1 35 ASP n
65
+ 1 36 LYS n
66
+ 1 37 TYR n
67
+ 1 38 VAL n
68
+ 1 39 VAL n
69
+ 1 40 SER n
70
+ 1 41 LEU n
71
+ 1 42 ASN n
72
+ 1 43 SER n
73
+ 1 44 GLN n
74
+ 1 45 GLY n
75
+ 1 46 LYS n
76
+ 1 47 GLN n
77
+ 1 48 HIS n
78
+ 1 49 LEU n
79
+ 1 50 ILE n
80
+ 1 51 TYR n
81
+ 1 52 LYS n
82
+ 1 53 HIS n
83
+ 1 54 ALA n
84
+ 1 55 ILE n
85
+ 1 56 SER n
86
+ 1 57 THR n
87
+ 1 58 TYR n
88
+ 1 59 THR n
89
+ 1 60 VAL n
90
+ #
91
+ _entity.id 1
92
+ _entity.type polymer
93
+ _entity.src_method man
94
+ _entity.pdbx_description ?
95
+ _entity.formula_weight 6949.845
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 ASN 1 1 1 ASN ASN A . n
116
+ A 1 2 ILE 2 2 2 ILE ILE A . n
117
+ A 1 3 GLN 3 3 3 GLN GLN A . n
118
+ A 1 4 ASP 4 4 4 ASP ASP A . n
119
+ A 1 5 LYS 5 5 5 LYS LYS A . n
120
+ A 1 6 ALA 6 6 6 ALA ALA A . n
121
+ A 1 7 LEU 7 7 7 LEU LEU A . n
122
+ A 1 8 GLU 8 8 8 GLU GLU A . n
123
+ A 1 9 ASN 9 9 9 ASN ASN A . n
124
+ A 1 10 PHE 10 10 10 PHE PHE A . n
125
+ A 1 11 LYS 11 11 11 LYS LYS A . n
126
+ A 1 12 ALA 12 12 12 ALA ALA A . n
127
+ A 1 13 ASN 13 13 13 ASN ASN A . n
128
+ A 1 14 GLN 14 14 14 GLN GLN A . n
129
+ A 1 15 THR 15 15 15 THR THR A . n
130
+ A 1 16 GLU 16 16 16 GLU GLU A . n
131
+ A 1 17 VAL 17 17 17 VAL VAL A . n
132
+ A 1 18 THR 18 18 18 THR THR A . n
133
+ A 1 19 VAL 19 19 19 VAL VAL A . n
134
+ A 1 20 PHE 20 20 20 PHE PHE A . n
135
+ A 1 21 PHE 21 21 21 PHE PHE A . n
136
+ A 1 22 LEU 22 22 22 LEU LEU A . n
137
+ A 1 23 ASN 23 23 23 ASN ASN A . n
138
+ A 1 24 GLY 24 24 24 GLY GLY A . n
139
+ A 1 25 PHE 25 25 25 PHE PHE A . n
140
+ A 1 26 GLN 26 26 26 GLN GLN A . n
141
+ A 1 27 MET 27 27 27 MET MET A . n
142
+ A 1 28 LYS 28 28 28 LYS LYS A . n
143
+ A 1 29 GLY 29 29 29 GLY GLY A . n
144
+ A 1 30 VAL 30 30 30 VAL VAL A . n
145
+ A 1 31 ILE 31 31 31 ILE ILE A . n
146
+ A 1 32 GLU 32 32 32 GLU GLU A . n
147
+ A 1 33 GLU 33 33 33 GLU GLU A . n
148
+ A 1 34 TYR 34 34 34 TYR TYR A . n
149
+ A 1 35 ASP 35 35 35 ASP ASP A . n
150
+ A 1 36 LYS 36 36 36 LYS LYS A . n
151
+ A 1 37 TYR 37 37 37 TYR TYR A . n
152
+ A 1 38 VAL 38 38 38 VAL VAL A . n
153
+ A 1 39 VAL 39 39 39 VAL VAL A . n
154
+ A 1 40 SER 40 40 40 SER SER A . n
155
+ A 1 41 LEU 41 41 41 LEU LEU A . n
156
+ A 1 42 ASN 42 42 42 ASN ASN A . n
157
+ A 1 43 SER 43 43 43 SER SER A . n
158
+ A 1 44 GLN 44 44 44 GLN GLN A . n
159
+ A 1 45 GLY 45 45 45 GLY GLY A . n
160
+ A 1 46 LYS 46 46 46 LYS LYS A . n
161
+ A 1 47 GLN 47 47 47 GLN GLN A . n
162
+ A 1 48 HIS 48 48 48 HIS HIS A . n
163
+ A 1 49 LEU 49 49 49 LEU LEU A . n
164
+ A 1 50 ILE 50 50 50 ILE ILE A . n
165
+ A 1 51 TYR 51 51 51 TYR TYR A . n
166
+ A 1 52 LYS 52 52 52 LYS LYS A . n
167
+ A 1 53 HIS 53 53 53 HIS HIS A . n
168
+ A 1 54 ALA 54 54 54 ALA ALA A . n
169
+ A 1 55 ILE 55 55 55 ILE ILE A . n
170
+ A 1 56 SER 56 56 56 SER SER A . n
171
+ A 1 57 THR 57 57 57 THR THR A . n
172
+ A 1 58 TYR 58 58 58 TYR TYR A . n
173
+ A 1 59 THR 59 59 59 THR THR A . n
174
+ A 1 60 VAL 60 60 60 VAL VAL 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
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
186
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
187
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
188
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
189
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
190
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
191
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
192
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
193
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
194
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
195
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
196
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
197
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
198
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
199
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
200
+ #
201
+ _struct_asym.id A
202
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
203
+ _struct_asym.pdbx_modified N
204
+ _struct_asym.entity_id 1
205
+ _struct_asym.details ?
206
+ #
207
+ _atom_sites.entry_id 1KQ1_A
208
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
209
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
210
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
211
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
212
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
213
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
214
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
215
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
216
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
217
+ _atom_sites.fract_transf_vector[1] 0.00000
218
+ _atom_sites.fract_transf_vector[2] 0.00000
219
+ _atom_sites.fract_transf_vector[3] 0.00000
220
+ #
221
+ loop_
222
+ _atom_type.symbol
223
+ C
224
+ N
225
+ O
226
+ S
227
+ #
228
+ _entry.id 1KQ1_A
229
+ #
230
+ loop_
231
+ _atom_site.group_PDB
232
+ _atom_site.id
233
+ _atom_site.type_symbol
234
+ _atom_site.label_atom_id
235
+ _atom_site.label_alt_id
236
+ _atom_site.label_comp_id
237
+ _atom_site.label_asym_id
238
+ _atom_site.label_entity_id
239
+ _atom_site.label_seq_id
240
+ _atom_site.pdbx_PDB_ins_code
241
+ _atom_site.Cartn_x
242
+ _atom_site.Cartn_y
243
+ _atom_site.Cartn_z
244
+ _atom_site.occupancy
245
+ _atom_site.B_iso_or_equiv
246
+ _atom_site.pdbx_formal_charge
247
+ _atom_site.auth_seq_id
248
+ _atom_site.auth_comp_id
249
+ _atom_site.auth_asym_id
250
+ _atom_site.auth_atom_id
251
+ _atom_site.pdbx_PDB_model_num
252
+ ATOM 1 N N . ASN A 1 1 ? 46.528 3.095 28.618 1.00 36.32 ? 1 ASN A N 1
253
+ ATOM 2 C CA . ASN A 1 1 ? 46.809 4.572 28.552 1.00 27.04 ? 1 ASN A CA 1
254
+ ATOM 3 C C . ASN A 1 1 ? 45.941 5.166 27.439 1.00 25.91 ? 1 ASN A C 1
255
+ ATOM 4 O O . ASN A 1 1 ? 46.039 4.738 26.307 1.00 19.71 ? 1 ASN A O 1
256
+ ATOM 5 C CB . ASN A 1 1 ? 48.283 4.777 28.263 1.00 40.51 ? 1 ASN A CB 1
257
+ ATOM 6 C CG . ASN A 1 1 ? 48.631 6.221 28.061 1.00 32.42 ? 1 ASN A CG 1
258
+ ATOM 7 O OD1 . ASN A 1 1 ? 48.963 6.940 28.997 1.00 51.09 ? 1 ASN A OD1 1
259
+ ATOM 8 N ND2 . ASN A 1 1 ? 48.535 6.659 26.830 1.00 18.60 ? 1 ASN A ND2 1
260
+ ATOM 9 N N . ILE A 1 2 ? 45.129 6.178 27.751 1.00 22.75 ? 2 ILE A N 1
261
+ ATOM 10 C CA . ILE A 1 2 ? 44.193 6.711 26.773 1.00 19.48 ? 2 ILE A CA 1
262
+ ATOM 11 C C . ILE A 1 2 ? 44.792 7.117 25.452 1.00 15.35 ? 2 ILE A C 1
263
+ ATOM 12 O O . ILE A 1 2 ? 44.316 6.729 24.379 1.00 15.75 ? 2 ILE A O 1
264
+ ATOM 13 C CB . ILE A 1 2 ? 43.381 7.904 27.345 1.00 21.82 ? 2 ILE A CB 1
265
+ ATOM 14 C CG1 . ILE A 1 2 ? 42.520 7.441 28.522 1.00 24.48 ? 2 ILE A CG1 1
266
+ ATOM 15 C CG2 . ILE A 1 2 ? 42.416 8.443 26.286 1.00 19.99 ? 2 ILE A CG2 1
267
+ ATOM 16 C CD1 . ILE A 1 2 ? 41.785 8.602 29.190 1.00 21.71 ? 2 ILE A CD1 1
268
+ ATOM 17 N N . GLN A 1 3 ? 45.841 7.920 25.518 1.00 15.84 ? 3 GLN A N 1
269
+ ATOM 18 C CA . GLN A 1 3 ? 46.453 8.377 24.303 1.00 15.14 ? 3 GLN A CA 1
270
+ ATOM 19 C C . GLN A 1 3 ? 47.108 7.281 23.443 1.00 15.19 ? 3 GLN A C 1
271
+ ATOM 20 O O . GLN A 1 3 ? 46.966 7.265 22.213 1.00 15.82 ? 3 GLN A O 1
272
+ ATOM 21 C CB . GLN A 1 3 ? 47.500 9.445 24.664 1.00 25.38 ? 3 GLN A CB 1
273
+ ATOM 22 C CG . GLN A 1 3 ? 48.271 9.867 23.493 1.00 23.63 ? 3 GLN A CG 1
274
+ ATOM 23 C CD . GLN A 1 3 ? 49.542 10.643 23.808 1.00 22.56 ? 3 GLN A CD 1
275
+ ATOM 24 O OE1 . GLN A 1 3 ? 50.197 11.047 22.898 1.00 18.14 ? 3 GLN A OE1 1
276
+ ATOM 25 N NE2 . GLN A 1 3 ? 49.876 10.862 25.095 1.00 24.72 ? 3 GLN A NE2 1
277
+ ATOM 26 N N . ASP A 1 4 ? 47.850 6.392 24.102 1.00 17.64 ? 4 ASP A N 1
278
+ ATOM 27 C CA . ASP A 1 4 ? 48.552 5.324 23.400 1.00 16.42 ? 4 ASP A CA 1
279
+ ATOM 28 C C . ASP A 1 4 ? 47.573 4.383 22.735 1.00 14.94 ? 4 ASP A C 1
280
+ ATOM 29 O O . ASP A 1 4 ? 47.806 3.961 21.597 1.00 18.21 ? 4 ASP A O 1
281
+ ATOM 30 C CB . ASP A 1 4 ? 49.464 4.586 24.387 1.00 18.90 ? 4 ASP A CB 1
282
+ ATOM 31 C CG . ASP A 1 4 ? 50.620 5.458 24.854 1.00 27.35 ? 4 ASP A CG 1
283
+ ATOM 32 O OD1 . ASP A 1 4 ? 51.384 5.015 25.747 1.00 29.74 ? 4 ASP A OD1 1
284
+ ATOM 33 O OD2 . ASP A 1 4 ? 50.768 6.595 24.327 1.00 20.09 ? 4 ASP A OD2 1
285
+ ATOM 34 N N . LYS A 1 5 ? 46.463 4.123 23.411 1.00 17.36 ? 5 LYS A N 1
286
+ ATOM 35 C CA . LYS A 1 5 ? 45.431 3.262 22.875 1.00 18.43 ? 5 LYS A CA 1
287
+ ATOM 36 C C . LYS A 1 5 ? 44.726 3.972 21.718 1.00 18.87 ? 5 LYS A C 1
288
+ ATOM 37 O O . LYS A 1 5 ? 44.472 3.377 20.684 1.00 17.74 ? 5 LYS A O 1
289
+ ATOM 38 C CB . LYS A 1 5 ? 44.426 2.897 23.973 1.00 23.42 ? 5 LYS A CB 1
290
+ ATOM 39 C CG . LYS A 1 5 ? 43.155 2.252 23.418 1.00 31.94 ? 5 LYS A CG 1
291
+ ATOM 40 C CD . LYS A 1 5 ? 43.215 0.751 23.490 1.00 45.65 ? 5 LYS A CD 1
292
+ ATOM 41 C CE . LYS A 1 5 ? 43.122 0.291 24.939 1.00 49.23 ? 5 LYS A CE 1
293
+ ATOM 42 N NZ . LYS A 1 5 ? 42.840 -1.163 25.042 1.00 55.70 ? 5 LYS A NZ 1
294
+ ATOM 43 N N . ALA A 1 6 ? 44.442 5.262 21.865 1.00 15.75 ? 6 ALA A N 1
295
+ ATOM 44 C CA . ALA A 1 6 ? 43.784 5.988 20.783 1.00 14.80 ? 6 ALA A CA 1
296
+ ATOM 45 C C . ALA A 1 6 ? 44.636 6.046 19.509 1.00 14.67 ? 6 ALA A C 1
297
+ ATOM 46 O O . ALA A 1 6 ? 44.132 5.809 18.437 1.00 15.70 ? 6 ALA A O 1
298
+ ATOM 47 C CB . ALA A 1 6 ? 43.444 7.412 21.211 1.00 17.13 ? 6 ALA A CB 1
299
+ ATOM 48 N N . LEU A 1 7 ? 45.925 6.371 19.627 1.00 11.60 ? 7 LEU A N 1
300
+ ATOM 49 C CA . LEU A 1 7 ? 46.765 6.424 18.453 1.00 11.19 ? 7 LEU A CA 1
301
+ ATOM 50 C C . LEU A 1 7 ? 46.930 5.021 17.819 1.00 15.22 ? 7 LEU A C 1
302
+ ATOM 51 O O . LEU A 1 7 ? 46.994 4.889 16.611 1.00 17.39 ? 7 LEU A O 1
303
+ ATOM 52 C CB . LEU A 1 7 ? 48.141 7.003 18.800 1.00 15.88 ? 7 LEU A CB 1
304
+ ATOM 53 C CG . LEU A 1 7 ? 48.136 8.542 18.928 1.00 15.36 ? 7 LEU A CG 1
305
+ ATOM 54 C CD1 . LEU A 1 7 ? 49.428 9.018 19.486 1.00 16.97 ? 7 LEU A CD1 1
306
+ ATOM 55 C CD2 . LEU A 1 7 ? 47.948 9.154 17.546 1.00 23.01 ? 7 LEU A CD2 1
307
+ ATOM 56 N N . GLU A 1 8 ? 47.015 3.997 18.654 1.00 14.83 ? 8 GLU A N 1
308
+ ATOM 57 C CA . GLU A 1 8 ? 47.153 2.630 18.122 1.00 18.27 ? 8 GLU A CA 1
309
+ ATOM 58 C C . GLU A 1 8 ? 45.913 2.313 17.273 1.00 17.71 ? 8 GLU A C 1
310
+ ATOM 59 O O . GLU A 1 8 ? 46.011 1.765 16.155 1.00 20.36 ? 8 GLU A O 1
311
+ ATOM 60 C CB . GLU A 1 8 ? 47.309 1.654 19.286 1.00 16.66 ? 8 GLU A CB 1
312
+ ATOM 61 C CG . GLU A 1 8 ? 47.428 0.179 18.861 1.00 21.43 ? 8 GLU A CG 1
313
+ ATOM 62 C CD . GLU A 1 8 ? 47.430 -0.747 20.060 1.00 36.51 ? 8 GLU A CD 1
314
+ ATOM 63 O OE1 . GLU A 1 8 ? 47.851 -1.913 19.913 1.00 47.80 ? 8 GLU A OE1 1
315
+ ATOM 64 O OE2 . GLU A 1 8 ? 46.997 -0.308 21.148 1.00 42.15 ? 8 GLU A OE2 1
316
+ ATOM 65 N N . ASN A 1 9 ? 44.758 2.704 17.768 1.00 14.90 ? 9 ASN A N 1
317
+ ATOM 66 C CA . ASN A 1 9 ? 43.510 2.503 17.046 1.00 18.61 ? 9 ASN A CA 1
318
+ ATOM 67 C C . ASN A 1 9 ? 43.412 3.376 15.796 1.00 24.99 ? 9 ASN A C 1
319
+ ATOM 68 O O . ASN A 1 9 ? 42.982 2.912 14.747 1.00 20.51 ? 9 ASN A O 1
320
+ ATOM 69 C CB . ASN A 1 9 ? 42.309 2.735 17.973 1.00 22.13 ? 9 ASN A CB 1
321
+ ATOM 70 C CG . ASN A 1 9 ? 42.097 1.569 18.935 1.00 32.40 ? 9 ASN A CG 1
322
+ ATOM 71 O OD1 . ASN A 1 9 ? 42.469 0.434 18.627 1.00 39.46 ? 9 ASN A OD1 1
323
+ ATOM 72 N ND2 . ASN A 1 9 ? 41.499 1.838 20.087 1.00 38.82 ? 9 ASN A ND2 1
324
+ ATOM 73 N N . PHE A 1 10 ? 43.809 4.647 15.877 1.00 17.08 ? 10 PHE A N 1
325
+ ATOM 74 C CA . PHE A 1 10 ? 43.777 5.467 14.672 1.00 14.43 ? 10 PHE A CA 1
326
+ ATOM 75 C C . PHE A 1 10 ? 44.630 4.887 13.537 1.00 13.10 ? 10 PHE A C 1
327
+ ATOM 76 O O . PHE A 1 10 ? 44.233 4.919 12.360 1.00 18.60 ? 10 PHE A O 1
328
+ ATOM 77 C CB . PHE A 1 10 ? 44.310 6.906 14.912 1.00 14.64 ? 10 PHE A CB 1
329
+ ATOM 78 C CG . PHE A 1 10 ? 43.485 7.741 15.841 1.00 17.48 ? 10 PHE A CG 1
330
+ ATOM 79 C CD1 . PHE A 1 10 ? 42.114 7.524 16.019 1.00 21.36 ? 10 PHE A CD1 1
331
+ ATOM 80 C CD2 . PHE A 1 10 ? 44.096 8.772 16.548 1.00 18.07 ? 10 PHE A CD2 1
332
+ ATOM 81 C CE1 . PHE A 1 10 ? 41.367 8.330 16.895 1.00 23.48 ? 10 PHE A CE1 1
333
+ ATOM 82 C CE2 . PHE A 1 10 ? 43.376 9.570 17.411 1.00 14.13 ? 10 PHE A CE2 1
334
+ ATOM 83 C CZ . PHE A 1 10 ? 42.000 9.354 17.592 1.00 19.45 ? 10 PHE A CZ 1
335
+ ATOM 84 N N . LYS A 1 11 ? 45.830 4.417 13.868 1.00 13.69 ? 11 LYS A N 1
336
+ ATOM 85 C CA . LYS A 1 11 ? 46.735 3.855 12.885 1.00 14.47 ? 11 LYS A CA 1
337
+ ATOM 86 C C . LYS A 1 11 ? 46.169 2.555 12.312 1.00 18.80 ? 11 LYS A C 1
338
+ ATOM 87 O O . LYS A 1 11 ? 46.156 2.376 11.110 1.00 17.13 ? 11 LYS A O 1
339
+ ATOM 88 C CB . LYS A 1 11 ? 48.074 3.523 13.526 1.00 16.27 ? 11 LYS A CB 1
340
+ ATOM 89 C CG . LYS A 1 11 ? 49.089 2.949 12.581 1.00 18.96 ? 11 LYS A CG 1
341
+ ATOM 90 C CD . LYS A 1 11 ? 50.331 2.556 13.361 1.00 18.31 ? 11 LYS A CD 1
342
+ ATOM 91 C CE . LYS A 1 11 ? 51.312 1.800 12.483 1.00 21.97 ? 11 LYS A CE 1
343
+ ATOM 92 N NZ . LYS A 1 11 ? 52.467 1.250 13.266 1.00 23.58 ? 11 LYS A NZ 1
344
+ ATOM 93 N N . ALA A 1 12 ? 45.718 1.680 13.203 1.00 21.58 ? 12 ALA A N 1
345
+ ATOM 94 C CA . ALA A 1 12 ? 45.210 0.361 12.773 1.00 22.49 ? 12 ALA A CA 1
346
+ ATOM 95 C C . ALA A 1 12 ? 43.990 0.460 11.885 1.00 27.32 ? 12 ALA A C 1
347
+ ATOM 96 O O . ALA A 1 12 ? 43.886 -0.262 10.884 1.00 28.54 ? 12 ALA A O 1
348
+ ATOM 97 C CB . ALA A 1 12 ? 44.905 -0.508 13.992 1.00 20.63 ? 12 ALA A CB 1
349
+ ATOM 98 N N . ASN A 1 13 ? 43.089 1.375 12.230 1.00 24.12 ? 13 ASN A N 1
350
+ ATOM 99 C CA . ASN A 1 13 ? 41.855 1.565 11.471 1.00 24.13 ? 13 ASN A CA 1
351
+ ATOM 100 C C . ASN A 1 13 ? 41.974 2.590 10.339 1.00 26.14 ? 13 ASN A C 1
352
+ ATOM 101 O O . ASN A 1 13 ? 41.031 2.800 9.582 1.00 24.30 ? 13 ASN A O 1
353
+ ATOM 102 C CB . ASN A 1 13 ? 40.731 1.959 12.427 1.00 30.54 ? 13 ASN A CB 1
354
+ ATOM 103 C CG . ASN A 1 13 ? 40.498 0.916 13.523 1.00 40.72 ? 13 ASN A CG 1
355
+ ATOM 104 O OD1 . ASN A 1 13 ? 40.123 1.248 14.651 1.00 43.04 ? 13 ASN A OD1 1
356
+ ATOM 105 N ND2 . ASN A 1 13 ? 40.709 -0.346 13.186 1.00 43.29 ? 13 ASN A ND2 1
357
+ ATOM 106 N N . GLN A 1 14 ? 43.132 3.231 10.218 1.00 24.66 ? 14 GLN A N 1
358
+ ATOM 107 C CA . GLN A 1 14 ? 43.331 4.231 9.179 1.00 25.60 ? 14 GLN A CA 1
359
+ ATOM 108 C C . GLN A 1 14 ? 42.236 5.309 9.271 1.00 21.22 ? 14 GLN A C 1
360
+ ATOM 109 O O . GLN A 1 14 ? 41.760 5.830 8.259 1.00 23.52 ? 14 GLN A O 1
361
+ ATOM 110 C CB . GLN A 1 14 ? 43.376 3.546 7.792 1.00 25.82 ? 14 GLN A CB 1
362
+ ATOM 111 C CG . GLN A 1 14 ? 44.696 2.789 7.547 1.00 32.08 ? 14 GLN A CG 1
363
+ ATOM 112 C CD . GLN A 1 14 ? 44.714 1.964 6.264 1.00 42.63 ? 14 GLN A CD 1
364
+ ATOM 113 O OE1 . GLN A 1 14 ? 44.202 0.844 6.221 1.00 47.07 ? 14 GLN A OE1 1
365
+ ATOM 114 N NE2 . GLN A 1 14 ? 45.305 2.520 5.212 1.00 41.85 ? 14 GLN A NE2 1
366
+ ATOM 115 N N . THR A 1 15 ? 41.885 5.643 10.515 1.00 25.24 ? 15 THR A N 1
367
+ ATOM 116 C CA . THR A 1 15 ? 40.872 6.646 10.860 1.00 24.48 ? 15 THR A CA 1
368
+ ATOM 117 C C . THR A 1 15 ? 41.218 8.047 10.345 1.00 26.05 ? 15 THR A C 1
369
+ ATOM 118 O O . THR A 1 15 ? 42.350 8.489 10.471 1.00 21.22 ? 15 THR A O 1
370
+ ATOM 119 C CB . THR A 1 15 ? 40.724 6.745 12.377 1.00 28.59 ? 15 THR A CB 1
371
+ ATOM 120 O OG1 . THR A 1 15 ? 40.505 5.435 12.908 1.00 25.00 ? 15 THR A OG1 1
372
+ ATOM 121 C CG2 . THR A 1 15 ? 39.582 7.671 12.764 1.00 28.68 ? 15 THR A CG2 1
373
+ ATOM 122 N N . GLU A 1 16 ? 40.246 8.739 9.765 1.00 25.44 ? 16 GLU A N 1
374
+ ATOM 123 C CA . GLU A 1 16 ? 40.496 10.093 9.277 1.00 23.57 ? 16 GLU A CA 1
375
+ ATOM 124 C C . GLU A 1 16 ? 40.431 10.975 10.518 1.00 18.42 ? 16 GLU A C 1
376
+ ATOM 125 O O . GLU A 1 16 ? 39.470 10.942 11.265 1.00 19.17 ? 16 GLU A O 1
377
+ ATOM 126 C CB . GLU A 1 16 ? 39.407 10.504 8.272 1.00 30.08 ? 16 GLU A CB 1
378
+ ATOM 127 C CG . GLU A 1 16 ? 39.770 11.734 7.441 1.00 35.81 ? 16 GLU A CG 1
379
+ ATOM 128 C CD . GLU A 1 16 ? 40.844 11.442 6.409 1.00 37.79 ? 16 GLU A CD 1
380
+ ATOM 129 O OE1 . GLU A 1 16 ? 41.431 12.406 5.864 1.00 51.55 ? 16 GLU A OE1 1
381
+ ATOM 130 O OE2 . GLU A 1 16 ? 41.096 10.253 6.130 1.00 49.10 ? 16 GLU A OE2 1
382
+ ATOM 131 N N . VAL A 1 17 ? 41.482 11.746 10.775 1.00 17.86 ? 17 VAL A N 1
383
+ ATOM 132 C CA . VAL A 1 17 ? 41.442 12.580 11.973 1.00 17.24 ? 17 VAL A CA 1
384
+ ATOM 133 C C . VAL A 1 17 ? 41.900 13.968 11.601 1.00 12.31 ? 17 VAL A C 1
385
+ ATOM 134 O O . VAL A 1 17 ? 42.666 14.136 10.660 1.00 17.59 ? 17 VAL A O 1
386
+ ATOM 135 C CB . VAL A 1 17 ? 42.416 12.057 13.036 1.00 25.95 ? 17 VAL A CB 1
387
+ ATOM 136 C CG1 . VAL A 1 17 ? 43.756 11.876 12.422 1.00 21.60 ? 17 VAL A CG1 1
388
+ ATOM 137 C CG2 . VAL A 1 17 ? 42.512 13.023 14.201 1.00 37.48 ? 17 VAL A CG2 1
389
+ ATOM 138 N N . THR A 1 18 ? 41.389 14.949 12.317 1.00 13.60 ? 18 THR A N 1
390
+ ATOM 139 C CA . THR A 1 18 ? 41.856 16.285 12.100 1.00 9.89 ? 18 THR A CA 1
391
+ ATOM 140 C C . THR A 1 18 ? 42.714 16.580 13.305 1.00 9.72 ? 18 THR A C 1
392
+ ATOM 141 O O . THR A 1 18 ? 42.281 16.398 14.459 1.00 15.53 ? 18 THR A O 1
393
+ ATOM 142 C CB . THR A 1 18 ? 40.717 17.252 12.014 1.00 17.37 ? 18 THR A CB 1
394
+ ATOM 143 O OG1 . THR A 1 18 ? 39.964 16.936 10.826 1.00 21.85 ? 18 THR A OG1 1
395
+ ATOM 144 C CG2 . THR A 1 18 ? 41.240 18.697 11.926 1.00 15.48 ? 18 THR A CG2 1
396
+ ATOM 145 N N . VAL A 1 19 ? 43.956 16.970 13.015 1.00 9.70 ? 19 VAL A N 1
397
+ ATOM 146 C CA . VAL A 1 19 ? 44.883 17.357 14.079 1.00 9.50 ? 19 VAL A CA 1
398
+ ATOM 147 C C . VAL A 1 19 ? 44.821 18.889 14.177 1.00 8.71 ? 19 VAL A C 1
399
+ ATOM 148 O O . VAL A 1 19 ? 45.023 19.573 13.187 1.00 10.35 ? 19 VAL A O 1
400
+ ATOM 149 C CB . VAL A 1 19 ? 46.317 17.000 13.703 1.00 8.83 ? 19 VAL A CB 1
401
+ ATOM 150 C CG1 . VAL A 1 19 ? 47.299 17.581 14.732 1.00 11.42 ? 19 VAL A CG1 1
402
+ ATOM 151 C CG2 . VAL A 1 19 ? 46.511 15.441 13.656 1.00 12.37 ? 19 VAL A CG2 1
403
+ ATOM 152 N N . PHE A 1 20 ? 44.533 19.407 15.372 1.00 8.55 ? 20 PHE A N 1
404
+ ATOM 153 C CA . PHE A 1 20 ? 44.585 20.851 15.606 1.00 9.64 ? 20 PHE A CA 1
405
+ ATOM 154 C C . PHE A 1 20 ? 45.873 21.139 16.331 1.00 8.70 ? 20 PHE A C 1
406
+ ATOM 155 O O . PHE A 1 20 ? 46.256 20.409 17.257 1.00 8.11 ? 20 PHE A O 1
407
+ ATOM 156 C CB . PHE A 1 20 ? 43.442 21.323 16.499 1.00 10.69 ? 20 PHE A CB 1
408
+ ATOM 157 C CG . PHE A 1 20 ? 42.153 21.461 15.771 1.00 14.82 ? 20 PHE A CG 1
409
+ ATOM 158 C CD1 . PHE A 1 20 ? 41.749 22.705 15.255 1.00 19.18 ? 20 PHE A CD1 1
410
+ ATOM 159 C CD2 . PHE A 1 20 ? 41.380 20.354 15.556 1.00 15.17 ? 20 PHE A CD2 1
411
+ ATOM 160 C CE1 . PHE A 1 20 ? 40.546 22.806 14.515 1.00 20.56 ? 20 PHE A CE1 1
412
+ ATOM 161 C CE2 . PHE A 1 20 ? 40.177 20.440 14.821 1.00 22.53 ? 20 PHE A CE2 1
413
+ ATOM 162 C CZ . PHE A 1 20 ? 39.771 21.670 14.304 1.00 22.23 ? 20 PHE A CZ 1
414
+ ATOM 163 N N . PHE A 1 21 ? 46.536 22.214 15.946 1.00 9.29 ? 21 PHE A N 1
415
+ ATOM 164 C CA . PHE A 1 21 ? 47.799 22.606 16.553 1.00 8.35 ? 21 PHE A CA 1
416
+ ATOM 165 C C . PHE A 1 21 ? 47.559 23.649 17.622 1.00 8.39 ? 21 PHE A C 1
417
+ ATOM 166 O O . PHE A 1 21 ? 46.475 24.178 17.744 1.00 11.35 ? 21 PHE A O 1
418
+ ATOM 167 C CB . PHE A 1 21 ? 48.683 23.197 15.457 1.00 9.14 ? 21 PHE A CB 1
419
+ ATOM 168 C CG . PHE A 1 21 ? 49.066 22.202 14.408 1.00 9.32 ? 21 PHE A CG 1
420
+ ATOM 169 C CD1 . PHE A 1 21 ? 50.197 21.425 14.574 1.00 11.00 ? 21 PHE A CD1 1
421
+ ATOM 170 C CD2 . PHE A 1 21 ? 48.292 22.047 13.252 1.00 17.53 ? 21 PHE A CD2 1
422
+ ATOM 171 C CE1 . PHE A 1 21 ? 50.559 20.493 13.610 1.00 9.64 ? 21 PHE A CE1 1
423
+ ATOM 172 C CE2 . PHE A 1 21 ? 48.664 21.100 12.273 1.00 21.01 ? 21 PHE A CE2 1
424
+ ATOM 173 C CZ . PHE A 1 21 ? 49.813 20.322 12.473 1.00 15.50 ? 21 PHE A CZ 1
425
+ ATOM 174 N N . LEU A 1 22 ? 48.609 23.961 18.369 1.00 9.57 ? 22 LEU A N 1
426
+ ATOM 175 C CA . LEU A 1 22 ? 48.500 24.955 19.435 1.00 10.34 ? 22 LEU A CA 1
427
+ ATOM 176 C C . LEU A 1 22 ? 48.065 26.320 18.926 1.00 11.76 ? 22 LEU A C 1
428
+ ATOM 177 O O . LEU A 1 22 ? 47.360 27.044 19.632 1.00 13.04 ? 22 LEU A O 1
429
+ ATOM 178 C CB . LEU A 1 22 ? 49.840 25.154 20.164 1.00 16.66 ? 22 LEU A CB 1
430
+ ATOM 179 C CG . LEU A 1 22 ? 50.397 23.969 20.974 1.00 19.64 ? 22 LEU A CG 1
431
+ ATOM 180 C CD1 . LEU A 1 22 ? 51.586 24.450 21.804 1.00 13.71 ? 22 LEU A CD1 1
432
+ ATOM 181 C CD2 . LEU A 1 22 ? 49.325 23.373 21.872 1.00 19.52 ? 22 LEU A CD2 1
433
+ ATOM 182 N N . ASN A 1 23 ? 48.475 26.697 17.721 1.00 12.28 ? 23 ASN A N 1
434
+ ATOM 183 C CA . ASN A 1 23 ? 48.093 28.010 17.219 1.00 13.45 ? 23 ASN A CA 1
435
+ ATOM 184 C C . ASN A 1 23 ? 46.716 28.000 16.548 1.00 18.83 ? 23 ASN A C 1
436
+ ATOM 185 O O . ASN A 1 23 ? 46.278 28.998 15.946 1.00 18.76 ? 23 ASN A O 1
437
+ ATOM 186 C CB . ASN A 1 23 ? 49.133 28.524 16.238 1.00 12.71 ? 23 ASN A CB 1
438
+ ATOM 187 C CG . ASN A 1 23 ? 49.034 27.860 14.893 1.00 15.34 ? 23 ASN A CG 1
439
+ ATOM 188 O OD1 . ASN A 1 23 ? 48.557 26.731 14.773 1.00 14.54 ? 23 ASN A OD1 1
440
+ ATOM 189 N ND2 . ASN A 1 23 ? 49.451 28.589 13.850 1.00 20.96 ? 23 ASN A ND2 1
441
+ ATOM 190 N N . GLY A 1 24 ? 46.036 26.861 16.599 1.00 13.19 ? 24 GLY A N 1
442
+ ATOM 191 C CA . GLY A 1 24 ? 44.701 26.786 16.034 1.00 16.42 ? 24 GLY A CA 1
443
+ ATOM 192 C C . GLY A 1 24 ? 44.592 26.296 14.610 1.00 13.07 ? 24 GLY A C 1
444
+ ATOM 193 O O . GLY A 1 24 ? 43.479 26.082 14.136 1.00 15.94 ? 24 GLY A O 1
445
+ ATOM 194 N N . PHE A 1 25 ? 45.715 26.154 13.908 1.00 12.01 ? 25 PHE A N 1
446
+ ATOM 195 C CA . PHE A 1 25 ? 45.699 25.669 12.520 1.00 11.70 ? 25 PHE A CA 1
447
+ ATOM 196 C C . PHE A 1 25 ? 45.279 24.189 12.598 1.00 12.83 ? 25 PHE A C 1
448
+ ATOM 197 O O . PHE A 1 25 ? 45.322 23.565 13.670 1.00 12.83 ? 25 PHE A O 1
449
+ ATOM 198 C CB . PHE A 1 25 ? 47.113 25.794 11.865 1.00 12.31 ? 25 PHE A CB 1
450
+ ATOM 199 C CG . PHE A 1 25 ? 47.572 27.236 11.471 1.00 12.45 ? 25 PHE A CG 1
451
+ ATOM 200 C CD1 . PHE A 1 25 ? 46.849 28.381 11.777 1.00 19.41 ? 25 PHE A CD1 1
452
+ ATOM 201 C CD2 . PHE A 1 25 ? 48.790 27.394 10.776 1.00 17.98 ? 25 PHE A CD2 1
453
+ ATOM 202 C CE1 . PHE A 1 25 ? 47.324 29.681 11.398 1.00 18.23 ? 25 PHE A CE1 1
454
+ ATOM 203 C CE2 . PHE A 1 25 ? 49.281 28.675 10.385 1.00 20.89 ? 25 PHE A CE2 1
455
+ ATOM 204 C CZ . PHE A 1 25 ? 48.553 29.821 10.694 1.00 21.37 ? 25 PHE A CZ 1
456
+ ATOM 205 N N . GLN A 1 26 ? 44.837 23.627 11.486 1.00 12.09 ? 26 GLN A N 1
457
+ ATOM 206 C CA . GLN A 1 26 ? 44.395 22.241 11.485 1.00 14.14 ? 26 GLN A CA 1
458
+ ATOM 207 C C . GLN A 1 26 ? 44.793 21.552 10.201 1.00 15.02 ? 26 GLN A C 1
459
+ ATOM 208 O O . GLN A 1 26 ? 45.034 22.192 9.177 1.00 15.19 ? 26 GLN A O 1
460
+ ATOM 209 C CB . GLN A 1 26 ? 42.883 22.180 11.679 1.00 15.55 ? 26 GLN A CB 1
461
+ ATOM 210 C CG . GLN A 1 26 ? 42.122 22.731 10.462 1.00 15.83 ? 26 GLN A CG 1
462
+ ATOM 211 C CD . GLN A 1 26 ? 40.671 22.928 10.819 1.00 20.62 ? 26 GLN A CD 1
463
+ ATOM 212 O OE1 . GLN A 1 26 ? 40.288 23.959 11.387 1.00 23.85 ? 26 GLN A OE1 1
464
+ ATOM 213 N NE2 . GLN A 1 26 ? 39.860 21.920 10.550 1.00 16.60 ? 26 GLN A NE2 1
465
+ ATOM 214 N N . MET A 1 27 ? 44.918 20.228 10.293 1.00 11.87 ? 27 MET A N 1
466
+ ATOM 215 C CA . MET A 1 27 ? 45.294 19.416 9.177 1.00 13.42 ? 27 MET A CA 1
467
+ ATOM 216 C C . MET A 1 27 ? 44.573 18.083 9.298 1.00 14.42 ? 27 MET A C 1
468
+ ATOM 217 O O . MET A 1 27 ? 44.619 17.443 10.330 1.00 13.24 ? 27 MET A O 1
469
+ ATOM 218 C CB . MET A 1 27 ? 46.804 19.195 9.175 1.00 14.59 ? 27 MET A CB 1
470
+ ATOM 219 C CG . MET A 1 27 ? 47.263 18.465 7.954 1.00 19.36 ? 27 MET A CG 1
471
+ ATOM 220 S SD . MET A 1 27 ? 49.029 18.268 8.048 1.00 21.41 ? 27 MET A SD 1
472
+ ATOM 221 C CE . MET A 1 27 ? 49.601 20.001 8.144 1.00 23.37 ? 27 MET A CE 1
473
+ ATOM 222 N N . LYS A 1 28 ? 43.873 17.684 8.248 1.00 13.79 ? 28 LYS A N 1
474
+ ATOM 223 C CA . LYS A 1 28 ? 43.113 16.435 8.238 1.00 15.18 ? 28 LYS A CA 1
475
+ ATOM 224 C C . LYS A 1 28 ? 43.831 15.358 7.457 1.00 17.14 ? 28 LYS A C 1
476
+ ATOM 225 O O . LYS A 1 28 ? 44.291 15.590 6.333 1.00 18.76 ? 28 LYS A O 1
477
+ ATOM 226 C CB . LYS A 1 28 ? 41.742 16.677 7.617 1.00 17.79 ? 28 LYS A CB 1
478
+ ATOM 227 C CG . LYS A 1 28 ? 40.876 15.423 7.507 1.00 22.18 ? 28 LYS A CG 1
479
+ ATOM 228 C CD . LYS A 1 28 ? 39.496 15.775 6.920 1.00 27.51 ? 28 LYS A CD 1
480
+ ATOM 229 C CE . LYS A 1 28 ? 39.079 14.771 5.855 1.00 38.80 ? 28 LYS A CE 1
481
+ ATOM 230 N NZ . LYS A 1 28 ? 40.111 14.692 4.786 1.00 43.00 ? 28 LYS A NZ 1
482
+ ATOM 231 N N . GLY A 1 29 ? 43.905 14.156 8.026 1.00 13.35 ? 29 GLY A N 1
483
+ ATOM 232 C CA . GLY A 1 29 ? 44.590 13.081 7.355 1.00 14.37 ? 29 GLY A CA 1
484
+ ATOM 233 C C . GLY A 1 29 ? 44.496 11.764 8.107 1.00 10.59 ? 29 GLY A C 1
485
+ ATOM 234 O O . GLY A 1 29 ? 43.599 11.562 8.922 1.00 17.61 ? 29 GLY A O 1
486
+ ATOM 235 N N . VAL A 1 30 ? 45.424 10.884 7.787 1.00 13.94 ? 30 VAL A N 1
487
+ ATOM 236 C CA . VAL A 1 30 ? 45.503 9.553 8.387 1.00 18.03 ? 30 VAL A CA 1
488
+ ATOM 237 C C . VAL A 1 30 ? 46.836 9.414 9.119 1.00 14.38 ? 30 VAL A C 1
489
+ ATOM 238 O O . VAL A 1 30 ? 47.925 9.737 8.557 1.00 14.37 ? 30 VAL A O 1
490
+ ATOM 239 C CB . VAL A 1 30 ? 45.493 8.424 7.310 1.00 23.83 ? 30 VAL A CB 1
491
+ ATOM 240 C CG1 . VAL A 1 30 ? 46.700 8.580 6.418 1.00 27.45 ? 30 VAL A CG1 1
492
+ ATOM 241 C CG2 . VAL A 1 30 ? 45.564 7.041 7.969 1.00 22.40 ? 30 VAL A CG2 1
493
+ ATOM 242 N N . ILE A 1 31 ? 46.774 8.920 10.361 1.00 14.37 ? 31 ILE A N 1
494
+ ATOM 243 C CA . ILE A 1 31 ? 48.005 8.707 11.096 1.00 13.23 ? 31 ILE A CA 1
495
+ ATOM 244 C C . ILE A 1 31 ? 48.613 7.392 10.602 1.00 16.02 ? 31 ILE A C 1
496
+ ATOM 245 O O . ILE A 1 31 ? 48.000 6.323 10.750 1.00 17.76 ? 31 ILE A O 1
497
+ ATOM 246 C CB . ILE A 1 31 ? 47.730 8.606 12.583 1.00 14.52 ? 31 ILE A CB 1
498
+ ATOM 247 C CG1 . ILE A 1 31 ? 47.280 9.986 13.096 1.00 20.12 ? 31 ILE A CG1 1
499
+ ATOM 248 C CG2 . ILE A 1 31 ? 49.003 8.104 13.328 1.00 15.16 ? 31 ILE A CG2 1
500
+ ATOM 249 C CD1 . ILE A 1 31 ? 46.848 9.993 14.509 1.00 22.15 ? 31 ILE A CD1 1
501
+ ATOM 250 N N . GLU A 1 32 ? 49.786 7.473 9.997 1.00 13.21 ? 32 GLU A N 1
502
+ ATOM 251 C CA . GLU A 1 32 ? 50.460 6.297 9.460 1.00 19.99 ? 32 GLU A CA 1
503
+ ATOM 252 C C . GLU A 1 32 ? 51.382 5.641 10.463 1.00 22.48 ? 32 GLU A C 1
504
+ ATOM 253 O O . GLU A 1 32 ? 51.547 4.420 10.455 1.00 17.89 ? 32 GLU A O 1
505
+ ATOM 254 C CB . GLU A 1 32 ? 51.260 6.662 8.200 1.00 24.05 ? 32 GLU A CB 1
506
+ ATOM 255 C CG . GLU A 1 32 ? 50.377 7.091 7.030 1.00 34.08 ? 32 GLU A CG 1
507
+ ATOM 256 C CD . GLU A 1 32 ? 51.107 7.091 5.682 1.00 41.05 ? 32 GLU A CD 1
508
+ ATOM 257 O OE1 . GLU A 1 32 ? 50.439 6.868 4.652 1.00 50.92 ? 32 GLU A OE1 1
509
+ ATOM 258 O OE2 . GLU A 1 32 ? 52.332 7.324 5.645 1.00 48.22 ? 32 GLU A OE2 1
510
+ ATOM 259 N N . GLU A 1 33 ? 51.998 6.459 11.323 1.00 16.49 ? 33 GLU A N 1
511
+ ATOM 260 C CA . GLU A 1 33 ? 52.919 5.944 12.302 1.00 14.55 ? 33 GLU A CA 1
512
+ ATOM 261 C C . GLU A 1 33 ? 52.974 6.953 13.407 1.00 14.66 ? 33 GLU A C 1
513
+ ATOM 262 O O . GLU A 1 33 ? 52.555 8.091 13.246 1.00 11.69 ? 33 GLU A O 1
514
+ ATOM 263 C CB . GLU A 1 33 ? 54.343 5.833 11.764 1.00 17.47 ? 33 GLU A CB 1
515
+ ATOM 264 C CG . GLU A 1 33 ? 54.506 5.069 10.471 1.00 35.24 ? 33 GLU A CG 1
516
+ ATOM 265 C CD . GLU A 1 33 ? 55.960 4.737 10.207 1.00 42.44 ? 33 GLU A CD 1
517
+ ATOM 266 O OE1 . GLU A 1 33 ? 56.766 5.678 10.058 1.00 48.71 ? 33 GLU A OE1 1
518
+ ATOM 267 O OE2 . GLU A 1 33 ? 56.298 3.532 10.159 1.00 52.12 ? 33 GLU A OE2 1
519
+ ATOM 268 N N . TYR A 1 34 ? 53.471 6.520 14.547 1.00 11.15 ? 34 TYR A N 1
520
+ ATOM 269 C CA . TYR A 1 34 ? 53.625 7.427 15.662 1.00 12.32 ? 34 TYR A CA 1
521
+ ATOM 270 C C . TYR A 1 34 ? 54.590 6.835 16.656 1.00 16.79 ? 34 TYR A C 1
522
+ ATOM 271 O O . TYR A 1 34 ? 54.941 5.635 16.603 1.00 14.91 ? 34 TYR A O 1
523
+ ATOM 272 C CB . TYR A 1 34 ? 52.276 7.690 16.357 1.00 13.23 ? 34 TYR A CB 1
524
+ ATOM 273 C CG . TYR A 1 34 ? 51.696 6.460 17.021 1.00 15.02 ? 34 TYR A CG 1
525
+ ATOM 274 C CD1 . TYR A 1 34 ? 51.990 6.165 18.353 1.00 11.65 ? 34 TYR A CD1 1
526
+ ATOM 275 C CD2 . TYR A 1 34 ? 50.876 5.595 16.304 1.00 15.99 ? 34 TYR A CD2 1
527
+ ATOM 276 C CE1 . TYR A 1 34 ? 51.486 5.040 18.956 1.00 14.51 ? 34 TYR A CE1 1
528
+ ATOM 277 C CE2 . TYR A 1 34 ? 50.357 4.446 16.911 1.00 14.94 ? 34 TYR A CE2 1
529
+ ATOM 278 C CZ . TYR A 1 34 ? 50.673 4.180 18.224 1.00 18.24 ? 34 TYR A CZ 1
530
+ ATOM 279 O OH . TYR A 1 34 ? 50.226 2.993 18.800 1.00 19.03 ? 34 TYR A OH 1
531
+ ATOM 280 N N . ASP A 1 35 ? 55.077 7.693 17.538 1.00 9.37 ? 35 ASP A N 1
532
+ ATOM 281 C CA . ASP A 1 35 ? 55.903 7.194 18.632 1.00 11.08 ? 35 ASP A CA 1
533
+ ATOM 282 C C . ASP A 1 35 ? 55.588 8.022 19.860 1.00 11.33 ? 35 ASP A C 1
534
+ ATOM 283 O O . ASP A 1 35 ? 54.542 8.702 19.902 1.00 11.35 ? 35 ASP A O 1
535
+ ATOM 284 C CB . ASP A 1 35 ? 57.401 7.071 18.281 1.00 10.73 ? 35 ASP A CB 1
536
+ ATOM 285 C CG . ASP A 1 35 ? 58.182 8.367 18.246 1.00 12.19 ? 35 ASP A CG 1
537
+ ATOM 286 O OD1 . ASP A 1 35 ? 57.669 9.442 18.648 1.00 9.84 ? 35 ASP A OD1 1
538
+ ATOM 287 O OD2 . ASP A 1 35 ? 59.368 8.272 17.826 1.00 11.78 ? 35 ASP A OD2 1
539
+ ATOM 288 N N . LYS A 1 36 ? 56.406 7.960 20.898 1.00 13.55 ? 36 LYS A N 1
540
+ ATOM 289 C CA . LYS A 1 36 ? 56.079 8.680 22.110 1.00 12.68 ? 36 LYS A CA 1
541
+ ATOM 290 C C . LYS A 1 36 ? 56.058 10.218 21.958 1.00 12.28 ? 36 LYS A C 1
542
+ ATOM 291 O O . LYS A 1 36 ? 55.393 10.935 22.719 1.00 11.14 ? 36 LYS A O 1
543
+ ATOM 292 C CB . LYS A 1 36 ? 57.099 8.270 23.196 1.00 12.97 ? 36 LYS A CB 1
544
+ ATOM 293 C CG . LYS A 1 36 ? 56.912 8.981 24.508 1.00 19.95 ? 36 LYS A CG 1
545
+ ATOM 294 C CD . LYS A 1 36 ? 57.907 8.447 25.553 1.00 24.53 ? 36 LYS A CD 1
546
+ ATOM 295 C CE . LYS A 1 36 ? 57.809 9.240 26.845 1.00 36.22 ? 36 LYS A CE 1
547
+ ATOM 296 N NZ . LYS A 1 36 ? 56.456 9.124 27.455 1.00 43.86 ? 36 LYS A NZ 1
548
+ ATOM 297 N N . TYR A 1 37 ? 56.755 10.677 20.922 1.00 9.25 ? 37 TYR A N 1
549
+ ATOM 298 C CA . TYR A 1 37 ? 56.955 12.096 20.709 1.00 10.04 ? 37 TYR A CA 1
550
+ ATOM 299 C C . TYR A 1 37 ? 56.375 12.734 19.478 1.00 10.46 ? 37 TYR A C 1
551
+ ATOM 300 O O . TYR A 1 37 ? 56.099 13.940 19.515 1.00 8.30 ? 37 TYR A O 1
552
+ ATOM 301 C CB . TYR A 1 37 ? 58.457 12.369 20.733 1.00 10.07 ? 37 TYR A CB 1
553
+ ATOM 302 C CG . TYR A 1 37 ? 59.160 11.853 21.984 1.00 17.67 ? 37 TYR A CG 1
554
+ ATOM 303 C CD1 . TYR A 1 37 ? 59.261 12.637 23.118 1.00 26.94 ? 37 TYR A CD1 1
555
+ ATOM 304 C CD2 . TYR A 1 37 ? 59.702 10.556 22.012 1.00 23.17 ? 37 TYR A CD2 1
556
+ ATOM 305 C CE1 . TYR A 1 37 ? 59.907 12.136 24.288 1.00 26.24 ? 37 TYR A CE1 1
557
+ ATOM 306 C CE2 . TYR A 1 37 ? 60.332 10.049 23.164 1.00 25.30 ? 37 TYR A CE2 1
558
+ ATOM 307 C CZ . TYR A 1 37 ? 60.426 10.848 24.284 1.00 30.84 ? 37 TYR A CZ 1
559
+ ATOM 308 O OH . TYR A 1 37 ? 61.038 10.345 25.417 1.00 36.28 ? 37 TYR A OH 1
560
+ ATOM 309 N N . VAL A 1 38 ? 56.199 11.959 18.412 1.00 8.70 ? 38 VAL A N 1
561
+ ATOM 310 C CA . VAL A 1 38 ? 55.723 12.513 17.150 1.00 7.39 ? 38 VAL A CA 1
562
+ ATOM 311 C C . VAL A 1 38 ? 54.662 11.629 16.542 1.00 8.92 ? 38 VAL A C 1
563
+ ATOM 312 O O . VAL A 1 38 ? 54.446 10.495 16.970 1.00 9.03 ? 38 VAL A O 1
564
+ ATOM 313 C CB . VAL A 1 38 ? 56.881 12.659 16.120 1.00 6.70 ? 38 VAL A CB 1
565
+ ATOM 314 C CG1 . VAL A 1 38 ? 57.946 13.638 16.658 1.00 8.64 ? 38 VAL A CG1 1
566
+ ATOM 315 C CG2 . VAL A 1 38 ? 57.505 11.260 15.822 1.00 10.34 ? 38 VAL A CG2 1
567
+ ATOM 316 N N . VAL A 1 39 ? 53.937 12.217 15.594 1.00 6.61 ? 39 VAL A N 1
568
+ ATOM 317 C CA . VAL A 1 39 ? 52.909 11.496 14.841 1.00 6.91 ? 39 VAL A CA 1
569
+ ATOM 318 C C . VAL A 1 39 ? 53.206 11.781 13.392 1.00 9.70 ? 39 VAL A C 1
570
+ ATOM 319 O O . VAL A 1 39 ? 53.618 12.899 13.028 1.00 9.44 ? 39 VAL A O 1
571
+ ATOM 320 C CB . VAL A 1 39 ? 51.473 11.971 15.174 1.00 12.75 ? 39 VAL A CB 1
572
+ ATOM 321 C CG1 . VAL A 1 39 ? 51.198 11.781 16.661 1.00 12.36 ? 39 VAL A CG1 1
573
+ ATOM 322 C CG2 . VAL A 1 39 ? 51.300 13.412 14.833 1.00 25.68 ? 39 VAL A CG2 1
574
+ ATOM 323 N N . SER A 1 40 ? 53.078 10.770 12.528 1.00 9.84 ? 40 SER A N 1
575
+ ATOM 324 C CA . SER A 1 40 ? 53.305 10.975 11.083 1.00 9.46 ? 40 SER A CA 1
576
+ ATOM 325 C C . SER A 1 40 ? 51.933 10.968 10.472 1.00 15.60 ? 40 SER A C 1
577
+ ATOM 326 O O . SER A 1 40 ? 51.251 9.939 10.503 1.00 12.83 ? 40 SER A O 1
578
+ ATOM 327 C CB . SER A 1 40 ? 54.148 9.827 10.515 1.00 13.60 ? 40 SER A CB 1
579
+ ATOM 328 O OG . SER A 1 40 ? 54.348 10.038 9.125 1.00 15.82 ? 40 SER A OG 1
580
+ ATOM 329 N N . LEU A 1 41 ? 51.517 12.111 9.921 1.00 11.65 ? 41 LEU A N 1
581
+ ATOM 330 C CA . LEU A 1 41 ? 50.156 12.249 9.362 1.00 12.83 ? 41 LEU A CA 1
582
+ ATOM 331 C C . LEU A 1 41 ? 50.208 12.411 7.844 1.00 16.43 ? 41 LEU A C 1
583
+ ATOM 332 O O . LEU A 1 41 ? 50.905 13.292 7.325 1.00 14.97 ? 41 LEU A O 1
584
+ ATOM 333 C CB . LEU A 1 41 ? 49.477 13.478 9.987 1.00 11.41 ? 41 LEU A CB 1
585
+ ATOM 334 C CG . LEU A 1 41 ? 48.014 13.708 9.574 1.00 10.55 ? 41 LEU A CG 1
586
+ ATOM 335 C CD1 . LEU A 1 41 ? 47.108 12.837 10.384 1.00 13.98 ? 41 LEU A CD1 1
587
+ ATOM 336 C CD2 . LEU A 1 41 ? 47.644 15.190 9.831 1.00 15.34 ? 41 LEU A CD2 1
588
+ ATOM 337 N N . ASN A 1 42 ? 49.479 11.561 7.116 1.00 13.96 ? 42 ASN A N 1
589
+ ATOM 338 C CA . ASN A 1 42 ? 49.474 11.691 5.644 1.00 21.41 ? 42 ASN A CA 1
590
+ ATOM 339 C C . ASN A 1 42 ? 48.277 12.578 5.315 1.00 16.83 ? 42 ASN A C 1
591
+ ATOM 340 O O . ASN A 1 42 ? 47.151 12.209 5.634 1.00 16.95 ? 42 ASN A O 1
592
+ ATOM 341 C CB . ASN A 1 42 ? 49.284 10.320 5.000 1.00 22.88 ? 42 ASN A CB 1
593
+ ATOM 342 C CG . ASN A 1 42 ? 49.291 10.397 3.481 1.00 34.62 ? 42 ASN A CG 1
594
+ ATOM 343 O OD1 . ASN A 1 42 ? 48.638 11.260 2.892 1.00 37.07 ? 42 ASN A OD1 1
595
+ ATOM 344 N ND2 . ASN A 1 42 ? 50.034 9.508 2.847 1.00 42.84 ? 42 ASN A ND2 1
596
+ ATOM 345 N N . SER A 1 43 ? 48.516 13.736 4.701 1.00 17.34 ? 43 SER A N 1
597
+ ATOM 346 C CA . SER A 1 43 ? 47.436 14.670 4.404 1.00 16.85 ? 43 SER A CA 1
598
+ ATOM 347 C C . SER A 1 43 ? 47.664 15.353 3.063 1.00 19.03 ? 43 SER A C 1
599
+ ATOM 348 O O . SER A 1 43 ? 48.764 15.820 2.774 1.00 24.11 ? 43 SER A O 1
600
+ ATOM 349 C CB . SER A 1 43 ? 47.346 15.754 5.512 1.00 15.70 ? 43 SER A CB 1
601
+ ATOM 350 O OG . SER A 1 43 ? 46.400 16.770 5.160 1.00 21.20 ? 43 SER A OG 1
602
+ ATOM 351 N N . GLN A 1 44 ? 46.605 15.404 2.261 1.00 23.35 ? 44 GLN A N 1
603
+ ATOM 352 C CA . GLN A 1 44 ? 46.666 16.025 0.937 1.00 28.63 ? 44 GLN A CA 1
604
+ ATOM 353 C C . GLN A 1 44 ? 47.874 15.522 0.152 1.00 30.51 ? 44 GLN A C 1
605
+ ATOM 354 O O . GLN A 1 44 ? 48.631 16.301 -0.427 1.00 34.29 ? 44 GLN A O 1
606
+ ATOM 355 C CB . GLN A 1 44 ? 46.688 17.555 1.063 1.00 29.46 ? 44 GLN A CB 1
607
+ ATOM 356 C CG . GLN A 1 44 ? 45.321 18.137 1.442 1.00 34.11 ? 44 GLN A CG 1
608
+ ATOM 357 C CD . GLN A 1 44 ? 45.352 19.637 1.688 1.00 28.48 ? 44 GLN A CD 1
609
+ ATOM 358 O OE1 . GLN A 1 44 ? 44.320 20.259 1.890 1.00 46.84 ? 44 GLN A OE1 1
610
+ ATOM 359 N NE2 . GLN A 1 44 ? 46.543 20.213 1.679 1.00 42.94 ? 44 GLN A NE2 1
611
+ ATOM 360 N N . GLY A 1 45 ? 48.049 14.203 0.180 1.00 31.40 ? 45 GLY A N 1
612
+ ATOM 361 C CA . GLY A 1 45 ? 49.126 13.552 -0.546 1.00 33.74 ? 45 GLY A CA 1
613
+ ATOM 362 C C . GLY A 1 45 ? 50.545 13.669 -0.034 1.00 35.16 ? 45 GLY A C 1
614
+ ATOM 363 O O . GLY A 1 45 ? 51.480 13.214 -0.717 1.00 33.41 ? 45 GLY A O 1
615
+ ATOM 364 N N . LYS A 1 46 ? 50.743 14.259 1.147 1.00 26.78 ? 46 LYS A N 1
616
+ ATOM 365 C CA . LYS A 1 46 ? 52.103 14.366 1.650 1.00 30.18 ? 46 LYS A CA 1
617
+ ATOM 366 C C . LYS A 1 46 ? 52.206 14.034 3.126 1.00 21.61 ? 46 LYS A C 1
618
+ ATOM 367 O O . LYS A 1 46 ? 51.248 14.154 3.863 1.00 18.61 ? 46 LYS A O 1
619
+ ATOM 368 C CB . LYS A 1 46 ? 52.684 15.752 1.377 1.00 37.98 ? 46 LYS A CB 1
620
+ ATOM 369 C CG . LYS A 1 46 ? 51.965 16.911 1.998 1.00 42.65 ? 46 LYS A CG 1
621
+ ATOM 370 C CD . LYS A 1 46 ? 52.539 18.225 1.449 1.00 46.66 ? 46 LYS A CD 1
622
+ ATOM 371 C CE . LYS A 1 46 ? 54.026 18.361 1.762 1.00 42.71 ? 46 LYS A CE 1
623
+ ATOM 372 N NZ . LYS A 1 46 ? 54.661 19.498 1.034 1.00 49.70 ? 46 LYS A NZ 1
624
+ ATOM 373 N N . GLN A 1 47 ? 53.372 13.541 3.512 1.00 22.21 ? 47 GLN A N 1
625
+ ATOM 374 C CA . GLN A 1 47 ? 53.635 13.161 4.891 1.00 17.24 ? 47 GLN A CA 1
626
+ ATOM 375 C C . GLN A 1 47 ? 54.056 14.363 5.727 1.00 14.20 ? 47 GLN A C 1
627
+ ATOM 376 O O . GLN A 1 47 ? 54.767 15.251 5.261 1.00 17.25 ? 47 GLN A O 1
628
+ ATOM 377 C CB . GLN A 1 47 ? 54.735 12.109 4.918 1.00 25.09 ? 47 GLN A CB 1
629
+ ATOM 378 C CG . GLN A 1 47 ? 54.221 10.715 4.539 1.00 44.05 ? 47 GLN A CG 1
630
+ ATOM 379 C CD . GLN A 1 47 ? 53.501 10.688 3.197 1.00 54.85 ? 47 GLN A CD 1
631
+ ATOM 380 O OE1 . GLN A 1 47 ? 52.602 9.871 2.979 1.00 63.23 ? 47 GLN A OE1 1
632
+ ATOM 381 N NE2 . GLN A 1 47 ? 53.903 11.572 2.285 1.00 57.87 ? 47 GLN A NE2 1
633
+ ATOM 382 N N . HIS A 1 48 ? 53.593 14.365 6.971 1.00 12.01 ? 48 HIS A N 1
634
+ ATOM 383 C CA . HIS A 1 48 ? 53.915 15.460 7.919 1.00 8.50 ? 48 HIS A CA 1
635
+ ATOM 384 C C . HIS A 1 48 ? 54.320 14.797 9.224 1.00 10.08 ? 48 HIS A C 1
636
+ ATOM 385 O O . HIS A 1 48 ? 53.534 14.012 9.799 1.00 14.90 ? 48 HIS A O 1
637
+ ATOM 386 C CB . HIS A 1 48 ? 52.698 16.328 8.199 1.00 12.79 ? 48 HIS A CB 1
638
+ ATOM 387 C CG . HIS A 1 48 ? 52.005 16.804 6.964 1.00 14.04 ? 48 HIS A CG 1
639
+ ATOM 388 N ND1 . HIS A 1 48 ? 52.128 18.090 6.478 1.00 17.92 ? 48 HIS A ND1 1
640
+ ATOM 389 C CD2 . HIS A 1 48 ? 51.215 16.133 6.086 1.00 15.82 ? 48 HIS A CD2 1
641
+ ATOM 390 C CE1 . HIS A 1 48 ? 51.437 18.194 5.349 1.00 15.18 ? 48 HIS A CE1 1
642
+ ATOM 391 N NE2 . HIS A 1 48 ? 50.880 17.024 5.091 1.00 21.98 ? 48 HIS A NE2 1
643
+ ATOM 392 N N . LEU A 1 49 ? 55.524 15.101 9.693 1.00 7.41 ? 49 LEU A N 1
644
+ ATOM 393 C CA . LEU A 1 49 ? 56.032 14.539 10.985 1.00 6.38 ? 49 LEU A CA 1
645
+ ATOM 394 C C . LEU A 1 49 ? 55.738 15.626 12.007 1.00 8.02 ? 49 LEU A C 1
646
+ ATOM 395 O O . LEU A 1 49 ? 56.386 16.677 11.978 1.00 8.53 ? 49 LEU A O 1
647
+ ATOM 396 C CB . LEU A 1 49 ? 57.515 14.242 10.871 1.00 6.86 ? 49 LEU A CB 1
648
+ ATOM 397 C CG . LEU A 1 49 ? 58.028 13.521 12.123 1.00 10.56 ? 49 LEU A CG 1
649
+ ATOM 398 C CD1 . LEU A 1 49 ? 57.426 12.085 12.237 1.00 14.22 ? 49 LEU A CD1 1
650
+ ATOM 399 C CD2 . LEU A 1 49 ? 59.539 13.461 12.034 1.00 19.04 ? 49 LEU A CD2 1
651
+ ATOM 400 N N . ILE A 1 50 ? 54.797 15.348 12.902 1.00 6.35 ? 50 ILE A N 1
652
+ ATOM 401 C CA . ILE A 1 50 ? 54.301 16.402 13.826 1.00 5.22 ? 50 ILE A CA 1
653
+ ATOM 402 C C . ILE A 1 50 ? 54.718 16.088 15.248 1.00 7.67 ? 50 ILE A C 1
654
+ ATOM 403 O O . ILE A 1 50 ? 54.529 14.975 15.751 1.00 7.62 ? 50 ILE A O 1
655
+ ATOM 404 C CB . ILE A 1 50 ? 52.760 16.453 13.772 1.00 7.78 ? 50 ILE A CB 1
656
+ ATOM 405 C CG1 . ILE A 1 50 ? 52.285 16.685 12.314 1.00 8.81 ? 50 ILE A CG1 1
657
+ ATOM 406 C CG2 . ILE A 1 50 ? 52.226 17.545 14.701 1.00 10.35 ? 50 ILE A CG2 1
658
+ ATOM 407 C CD1 . ILE A 1 50 ? 50.796 16.356 12.150 1.00 11.70 ? 50 ILE A CD1 1
659
+ ATOM 408 N N . TYR A 1 51 ? 55.230 17.110 15.924 1.00 4.16 ? 51 TYR A N 1
660
+ ATOM 409 C CA . TYR A 1 51 ? 55.548 16.929 17.347 1.00 6.86 ? 51 TYR A CA 1
661
+ ATOM 410 C C . TYR A 1 51 ? 54.269 16.993 18.182 1.00 8.09 ? 51 TYR A C 1
662
+ ATOM 411 O O . TYR A 1 51 ? 53.433 17.921 18.067 1.00 8.06 ? 51 TYR A O 1
663
+ ATOM 412 C CB . TYR A 1 51 ? 56.473 18.026 17.871 1.00 5.67 ? 51 TYR A CB 1
664
+ ATOM 413 C CG . TYR A 1 51 ? 57.900 17.817 17.512 1.00 7.26 ? 51 TYR A CG 1
665
+ ATOM 414 C CD1 . TYR A 1 51 ? 58.630 16.792 18.082 1.00 8.11 ? 51 TYR A CD1 1
666
+ ATOM 415 C CD2 . TYR A 1 51 ? 58.508 18.580 16.515 1.00 12.42 ? 51 TYR A CD2 1
667
+ ATOM 416 C CE1 . TYR A 1 51 ? 59.917 16.517 17.656 1.00 8.54 ? 51 TYR A CE1 1
668
+ ATOM 417 C CE2 . TYR A 1 51 ? 59.804 18.321 16.097 1.00 12.10 ? 51 TYR A CE2 1
669
+ ATOM 418 C CZ . TYR A 1 51 ? 60.509 17.269 16.670 1.00 11.32 ? 51 TYR A CZ 1
670
+ ATOM 419 O OH . TYR A 1 51 ? 61.777 16.979 16.203 1.00 13.30 ? 51 TYR A OH 1
671
+ ATOM 420 N N . LYS A 1 52 ? 54.133 16.052 19.116 1.00 6.31 ? 52 LYS A N 1
672
+ ATOM 421 C CA . LYS A 1 52 ? 52.974 16.071 19.985 1.00 5.33 ? 52 LYS A CA 1
673
+ ATOM 422 C C . LYS A 1 52 ? 52.961 17.334 20.844 1.00 6.07 ? 52 LYS A C 1
674
+ ATOM 423 O O . LYS A 1 52 ? 51.880 17.803 21.201 1.00 7.70 ? 52 LYS A O 1
675
+ ATOM 424 C CB . LYS A 1 52 ? 52.971 14.827 20.896 1.00 6.17 ? 52 LYS A CB 1
676
+ ATOM 425 C CG . LYS A 1 52 ? 52.631 13.543 20.157 1.00 7.19 ? 52 LYS A CG 1
677
+ ATOM 426 C CD . LYS A 1 52 ? 52.805 12.375 21.159 1.00 9.16 ? 52 LYS A CD 1
678
+ ATOM 427 C CE . LYS A 1 52 ? 52.357 11.062 20.526 1.00 9.52 ? 52 LYS A CE 1
679
+ ATOM 428 N NZ . LYS A 1 52 ? 52.465 9.915 21.549 1.00 13.82 ? 52 LYS A NZ 1
680
+ ATOM 429 N N . HIS A 1 53 ? 54.142 17.891 21.119 1.00 6.65 ? 53 HIS A N 1
681
+ ATOM 430 C CA . HIS A 1 53 ? 54.149 19.131 21.910 1.00 7.49 ? 53 HIS A CA 1
682
+ ATOM 431 C C . HIS A 1 53 ? 53.453 20.264 21.170 1.00 7.16 ? 53 HIS A C 1
683
+ ATOM 432 O O . HIS A 1 53 ? 53.089 21.269 21.792 1.00 10.41 ? 53 HIS A O 1
684
+ ATOM 433 C CB . HIS A 1 53 ? 55.574 19.540 22.337 1.00 5.94 ? 53 HIS A CB 1
685
+ ATOM 434 C CG . HIS A 1 53 ? 56.529 19.873 21.230 1.00 6.48 ? 53 HIS A CG 1
686
+ ATOM 435 N ND1 . HIS A 1 53 ? 57.807 19.364 21.197 1.00 7.14 ? 53 HIS A ND1 1
687
+ ATOM 436 C CD2 . HIS A 1 53 ? 56.455 20.759 20.199 1.00 8.17 ? 53 HIS A CD2 1
688
+ ATOM 437 C CE1 . HIS A 1 53 ? 58.481 19.899 20.191 1.00 6.69 ? 53 HIS A CE1 1
689
+ ATOM 438 N NE2 . HIS A 1 53 ? 57.675 20.755 19.570 1.00 6.63 ? 53 HIS A NE2 1
690
+ ATOM 439 N N . ALA A 1 54 ? 53.259 20.124 19.850 1.00 6.21 ? 54 ALA A N 1
691
+ ATOM 440 C CA . ALA A 1 54 ? 52.571 21.197 19.094 1.00 6.98 ? 54 ALA A CA 1
692
+ ATOM 441 C C . ALA A 1 54 ? 51.083 20.887 18.806 1.00 6.83 ? 54 ALA A C 1
693
+ ATOM 442 O O . ALA A 1 54 ? 50.377 21.687 18.165 1.00 7.68 ? 54 ALA A O 1
694
+ ATOM 443 C CB . ALA A 1 54 ? 53.266 21.389 17.796 1.00 8.51 ? 54 ALA A CB 1
695
+ ATOM 444 N N . ILE A 1 55 ? 50.591 19.726 19.238 1.00 6.15 ? 55 ILE A N 1
696
+ ATOM 445 C CA . ILE A 1 55 ? 49.231 19.341 19.002 1.00 4.77 ? 55 ILE A CA 1
697
+ ATOM 446 C C . ILE A 1 55 ? 48.340 19.703 20.155 1.00 8.62 ? 55 ILE A C 1
698
+ ATOM 447 O O . ILE A 1 55 ? 48.746 19.558 21.347 1.00 7.36 ? 55 ILE A O 1
699
+ ATOM 448 C CB . ILE A 1 55 ? 49.143 17.789 18.806 1.00 4.79 ? 55 ILE A CB 1
700
+ ATOM 449 C CG1 . ILE A 1 55 ? 49.942 17.423 17.567 1.00 8.10 ? 55 ILE A CG1 1
701
+ ATOM 450 C CG2 . ILE A 1 55 ? 47.693 17.300 18.741 1.00 8.07 ? 55 ILE A CG2 1
702
+ ATOM 451 C CD1 . ILE A 1 55 ? 49.954 15.864 17.333 1.00 9.14 ? 55 ILE A CD1 1
703
+ ATOM 452 N N . SER A 1 56 ? 47.166 20.222 19.822 1.00 7.44 ? 56 SER A N 1
704
+ ATOM 453 C CA . SER A 1 56 ? 46.155 20.533 20.820 1.00 7.53 ? 56 SER A CA 1
705
+ ATOM 454 C C . SER A 1 56 ? 45.123 19.418 20.926 1.00 8.39 ? 56 SER A C 1
706
+ ATOM 455 O O . SER A 1 56 ? 44.836 18.896 22.006 1.00 10.19 ? 56 SER A O 1
707
+ ATOM 456 C CB . SER A 1 56 ? 45.375 21.801 20.434 1.00 12.91 ? 56 SER A CB 1
708
+ ATOM 457 O OG . SER A 1 56 ? 44.253 21.902 21.283 1.00 23.05 ? 56 SER A OG 1
709
+ ATOM 458 N N . THR A 1 57 ? 44.593 19.011 19.766 1.00 8.66 ? 57 THR A N 1
710
+ ATOM 459 C CA . THR A 1 57 ? 43.479 18.073 19.768 1.00 13.81 ? 57 THR A CA 1
711
+ ATOM 460 C C . THR A 1 57 ? 43.481 17.172 18.544 1.00 11.16 ? 57 THR A C 1
712
+ ATOM 461 O O . THR A 1 57 ? 43.963 17.576 17.480 1.00 10.95 ? 57 THR A O 1
713
+ ATOM 462 C CB . THR A 1 57 ? 42.140 18.887 19.665 1.00 12.64 ? 57 THR A CB 1
714
+ ATOM 463 O OG1 . THR A 1 57 ? 42.054 19.878 20.703 1.00 17.08 ? 57 THR A OG1 1
715
+ ATOM 464 C CG2 . THR A 1 57 ? 40.937 17.992 19.787 1.00 16.94 ? 57 THR A CG2 1
716
+ ATOM 465 N N . TYR A 1 58 ? 42.951 15.955 18.710 1.00 9.47 ? 58 TYR A N 1
717
+ ATOM 466 C CA . TYR A 1 58 ? 42.717 15.064 17.587 1.00 11.40 ? 58 TYR A CA 1
718
+ ATOM 467 C C . TYR A 1 58 ? 41.186 15.010 17.530 1.00 12.78 ? 58 TYR A C 1
719
+ ATOM 468 O O . TYR A 1 58 ? 40.507 14.645 18.520 1.00 11.12 ? 58 TYR A O 1
720
+ ATOM 469 C CB . TYR A 1 58 ? 43.215 13.637 17.846 1.00 9.72 ? 58 TYR A CB 1
721
+ ATOM 470 C CG . TYR A 1 58 ? 44.672 13.523 18.105 1.00 10.39 ? 58 TYR A CG 1
722
+ ATOM 471 C CD1 . TYR A 1 58 ? 45.592 13.310 17.085 1.00 9.82 ? 58 TYR A CD1 1
723
+ ATOM 472 C CD2 . TYR A 1 58 ? 45.136 13.554 19.413 1.00 10.69 ? 58 TYR A CD2 1
724
+ ATOM 473 C CE1 . TYR A 1 58 ? 46.937 13.114 17.347 1.00 11.71 ? 58 TYR A CE1 1
725
+ ATOM 474 C CE2 . TYR A 1 58 ? 46.498 13.365 19.706 1.00 11.21 ? 58 TYR A CE2 1
726
+ ATOM 475 C CZ . TYR A 1 58 ? 47.405 13.137 18.662 1.00 9.77 ? 58 TYR A CZ 1
727
+ ATOM 476 O OH . TYR A 1 58 ? 48.755 12.945 18.933 1.00 10.71 ? 58 TYR A OH 1
728
+ ATOM 477 N N . THR A 1 59 ? 40.627 15.392 16.397 1.00 13.46 ? 59 THR A N 1
729
+ ATOM 478 C CA . THR A 1 59 ? 39.192 15.330 16.242 1.00 18.67 ? 59 THR A CA 1
730
+ ATOM 479 C C . THR A 1 59 ? 38.931 14.144 15.349 1.00 14.89 ? 59 THR A C 1
731
+ ATOM 480 O O . THR A 1 59 ? 39.567 13.971 14.295 1.00 14.00 ? 59 THR A O 1
732
+ ATOM 481 C CB . THR A 1 59 ? 38.610 16.589 15.608 1.00 24.06 ? 59 THR A CB 1
733
+ ATOM 482 O OG1 . THR A 1 59 ? 38.810 17.704 16.497 1.00 29.42 ? 59 THR A OG1 1
734
+ ATOM 483 C CG2 . THR A 1 59 ? 37.127 16.401 15.366 1.00 29.07 ? 59 THR A CG2 1
735
+ ATOM 484 N N . VAL A 1 60 ? 38.020 13.293 15.793 1.00 17.55 ? 60 VAL A N 1
736
+ ATOM 485 C CA . VAL A 1 60 ? 37.701 12.092 15.035 1.00 21.94 ? 60 VAL A CA 1
737
+ ATOM 486 C C . VAL A 1 60 ? 36.598 12.367 14.028 1.00 29.53 ? 60 VAL A C 1
738
+ ATOM 487 O O . VAL A 1 60 ? 36.841 12.220 12.809 1.00 34.46 ? 60 VAL A O 1
739
+ ATOM 488 C CB . VAL A 1 60 ? 37.226 10.961 15.970 1.00 25.36 ? 60 VAL A CB 1
740
+ ATOM 489 C CG1 . VAL A 1 60 ? 36.983 9.690 15.162 1.00 33.46 ? 60 VAL A CG1 1
741
+ ATOM 490 C CG2 . VAL A 1 60 ? 38.236 10.725 17.062 1.00 30.62 ? 60 VAL A CG2 1
742
+ #
743
+ loop_
744
+ _pdbx_audit_revision_history.ordinal
745
+ _pdbx_audit_revision_history.data_content_type
746
+ _pdbx_audit_revision_history.major_revision
747
+ _pdbx_audit_revision_history.minor_revision
748
+ _pdbx_audit_revision_history.revision_date
749
+ 1 'Structure model' 1 0 2002-07-10
750
+ 2 'Structure model' 1 1 2008-04-27
751
+ 3 'Structure model' 1 2 2011-07-13
752
+ #
mmcifs/1KQ3_A.cif ADDED
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mmcifs/1KQ6_A.cif ADDED
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mmcifs/1KQF_C.cif ADDED
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mmcifs/1KQP_A.cif ADDED
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