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LindertLab
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DMS-Fold2-Training-Dataset

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1
+ data_3W1O_A
2
+ #
3
+ _pdbx_database_status.entry_id 3W1O_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
+ ;HNLLIFCLKDNVSISEYTEMIDWAYKNIQSETVVEITENQIIEYQNRGLWRLVSEITDNWLFGPSEGDWLIDKESILAVK
22
+ EKLQNSDFSTEPLVKNIIHVLEYAIKNEKTVIFHF
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;HNLLIFCLKDNVSISEYTEMIDWAYKNIQSETVVEITENQIIEYQNRGLWRLVSEITDNWLFGPSEGDWLIDKESILAVK
26
+ EKLQNSDFSTEPLVKNIIHVLEYAIKNEKTVIFHF
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 HIS n
37
+ 1 2 ASN n
38
+ 1 3 LEU n
39
+ 1 4 LEU n
40
+ 1 5 ILE n
41
+ 1 6 PHE n
42
+ 1 7 CYS n
43
+ 1 8 LEU n
44
+ 1 9 LYS n
45
+ 1 10 ASP n
46
+ 1 11 ASN n
47
+ 1 12 VAL n
48
+ 1 13 SER n
49
+ 1 14 ILE n
50
+ 1 15 SER n
51
+ 1 16 GLU n
52
+ 1 17 TYR n
53
+ 1 18 THR n
54
+ 1 19 GLU n
55
+ 1 20 MET n
56
+ 1 21 ILE n
57
+ 1 22 ASP n
58
+ 1 23 TRP n
59
+ 1 24 ALA n
60
+ 1 25 TYR n
61
+ 1 26 LYS n
62
+ 1 27 ASN n
63
+ 1 28 ILE n
64
+ 1 29 GLN n
65
+ 1 30 SER n
66
+ 1 31 GLU n
67
+ 1 32 THR n
68
+ 1 33 VAL n
69
+ 1 34 VAL n
70
+ 1 35 GLU n
71
+ 1 36 ILE n
72
+ 1 37 THR n
73
+ 1 38 GLU n
74
+ 1 39 ASN n
75
+ 1 40 GLN n
76
+ 1 41 ILE n
77
+ 1 42 ILE n
78
+ 1 43 GLU n
79
+ 1 44 TYR n
80
+ 1 45 GLN n
81
+ 1 46 ASN n
82
+ 1 47 ARG n
83
+ 1 48 GLY n
84
+ 1 49 LEU n
85
+ 1 50 TRP n
86
+ 1 51 ARG n
87
+ 1 52 LEU n
88
+ 1 53 VAL n
89
+ 1 54 SER n
90
+ 1 55 GLU n
91
+ 1 56 ILE n
92
+ 1 57 THR n
93
+ 1 58 ASP n
94
+ 1 59 ASN n
95
+ 1 60 TRP n
96
+ 1 61 LEU n
97
+ 1 62 PHE n
98
+ 1 63 GLY n
99
+ 1 64 PRO n
100
+ 1 65 SER n
101
+ 1 66 GLU n
102
+ 1 67 GLY n
103
+ 1 68 ASP n
104
+ 1 69 TRP n
105
+ 1 70 LEU n
106
+ 1 71 ILE n
107
+ 1 72 ASP n
108
+ 1 73 LYS n
109
+ 1 74 GLU n
110
+ 1 75 SER n
111
+ 1 76 ILE n
112
+ 1 77 LEU n
113
+ 1 78 ALA n
114
+ 1 79 VAL n
115
+ 1 80 LYS n
116
+ 1 81 GLU n
117
+ 1 82 LYS n
118
+ 1 83 LEU n
119
+ 1 84 GLN n
120
+ 1 85 ASN n
121
+ 1 86 SER n
122
+ 1 87 ASP n
123
+ 1 88 PHE n
124
+ 1 89 SER n
125
+ 1 90 THR n
126
+ 1 91 GLU n
127
+ 1 92 PRO n
128
+ 1 93 LEU n
129
+ 1 94 VAL n
130
+ 1 95 LYS n
131
+ 1 96 ASN n
132
+ 1 97 ILE n
133
+ 1 98 ILE n
134
+ 1 99 HIS n
135
+ 1 100 VAL n
136
+ 1 101 LEU n
137
+ 1 102 GLU n
138
+ 1 103 TYR n
139
+ 1 104 ALA n
140
+ 1 105 ILE n
141
+ 1 106 LYS n
142
+ 1 107 ASN n
143
+ 1 108 GLU n
144
+ 1 109 LYS n
145
+ 1 110 THR n
146
+ 1 111 VAL n
147
+ 1 112 ILE n
148
+ 1 113 PHE n
149
+ 1 114 HIS n
150
+ 1 115 PHE n
151
+ #
152
+ _entity.id 1
153
+ _entity.type polymer
154
+ _entity.src_method man
155
+ _entity.pdbx_description ?
156
+ _entity.formula_weight 13560.326
157
+ _entity.pdbx_number_of_molecules 1
158
+ _entity.pdbx_ec ?
159
+ _entity.pdbx_mutation ?
160
+ _entity.pdbx_fragment ?
161
+ _entity.details ?
162
+ #
163
+ loop_
164
+ _pdbx_poly_seq_scheme.asym_id
165
+ _pdbx_poly_seq_scheme.entity_id
166
+ _pdbx_poly_seq_scheme.seq_id
167
+ _pdbx_poly_seq_scheme.mon_id
168
+ _pdbx_poly_seq_scheme.ndb_seq_num
169
+ _pdbx_poly_seq_scheme.pdb_seq_num
170
+ _pdbx_poly_seq_scheme.auth_seq_num
171
+ _pdbx_poly_seq_scheme.pdb_mon_id
172
+ _pdbx_poly_seq_scheme.auth_mon_id
173
+ _pdbx_poly_seq_scheme.pdb_strand_id
174
+ _pdbx_poly_seq_scheme.pdb_ins_code
175
+ _pdbx_poly_seq_scheme.hetero
176
+ A 1 1 HIS 1 1 1 HIS HIS A . n
177
+ A 1 2 ASN 2 2 2 ASN ASN A . n
178
+ A 1 3 LEU 3 3 3 LEU LEU A . n
179
+ A 1 4 LEU 4 4 4 LEU LEU A . n
180
+ A 1 5 ILE 5 5 5 ILE ILE A . n
181
+ A 1 6 PHE 6 6 6 PHE PHE A . n
182
+ A 1 7 CYS 7 7 7 CYS CYS A . n
183
+ A 1 8 LEU 8 8 8 LEU LEU A . n
184
+ A 1 9 LYS 9 9 9 LYS LYS A . n
185
+ A 1 10 ASP 10 10 10 ASP ASP A . n
186
+ A 1 11 ASN 11 11 11 ASN ASN A . n
187
+ A 1 12 VAL 12 12 12 VAL VAL A . n
188
+ A 1 13 SER 13 13 13 SER SER A . n
189
+ A 1 14 ILE 14 14 14 ILE ILE A . n
190
+ A 1 15 SER 15 15 15 SER SER A . n
191
+ A 1 16 GLU 16 16 16 GLU GLU A . n
192
+ A 1 17 TYR 17 17 17 TYR TYR A . n
193
+ A 1 18 THR 18 18 18 THR THR A . n
194
+ A 1 19 GLU 19 19 19 GLU GLU A . n
195
+ A 1 20 MET 20 20 20 MET MET A . n
196
+ A 1 21 ILE 21 21 21 ILE ILE A . n
197
+ A 1 22 ASP 22 22 22 ASP ASP A . n
198
+ A 1 23 TRP 23 23 23 TRP TRP A . n
199
+ A 1 24 ALA 24 24 24 ALA ALA A . n
200
+ A 1 25 TYR 25 25 25 TYR TYR A . n
201
+ A 1 26 LYS 26 26 26 LYS LYS A . n
202
+ A 1 27 ASN 27 27 27 ASN ASN A . n
203
+ A 1 28 ILE 28 28 28 ILE ILE A . n
204
+ A 1 29 GLN 29 29 29 GLN GLN A . n
205
+ A 1 30 SER 30 30 30 SER SER A . n
206
+ A 1 31 GLU 31 31 31 GLU GLU A . n
207
+ A 1 32 THR 32 32 32 THR THR A . n
208
+ A 1 33 VAL 33 33 33 VAL VAL A . n
209
+ A 1 34 VAL 34 34 34 VAL VAL A . n
210
+ A 1 35 GLU 35 35 35 GLU GLU A . n
211
+ A 1 36 ILE 36 36 36 ILE ILE A . n
212
+ A 1 37 THR 37 37 37 THR THR A . n
213
+ A 1 38 GLU 38 38 38 GLU GLU A . n
214
+ A 1 39 ASN 39 39 39 ASN ASN A . n
215
+ A 1 40 GLN 40 40 40 GLN GLN A . n
216
+ A 1 41 ILE 41 41 41 ILE ILE A . n
217
+ A 1 42 ILE 42 42 42 ILE ILE A . n
218
+ A 1 43 GLU 43 43 43 GLU GLU A . n
219
+ A 1 44 TYR 44 44 44 TYR TYR A . n
220
+ A 1 45 GLN 45 45 45 GLN GLN A . n
221
+ A 1 46 ASN 46 46 46 ASN ASN A . n
222
+ A 1 47 ARG 47 47 47 ARG ARG A . n
223
+ A 1 48 GLY 48 48 48 GLY GLY A . n
224
+ A 1 49 LEU 49 49 49 LEU LEU A . n
225
+ A 1 50 TRP 50 50 50 TRP TRP A . n
226
+ A 1 51 ARG 51 51 51 ARG ARG A . n
227
+ A 1 52 LEU 52 52 52 LEU LEU A . n
228
+ A 1 53 VAL 53 53 53 VAL VAL A . n
229
+ A 1 54 SER 54 54 54 SER SER A . n
230
+ A 1 55 GLU 55 55 55 GLU GLU A . n
231
+ A 1 56 ILE 56 56 56 ILE ILE A . n
232
+ A 1 57 THR 57 57 57 THR THR A . n
233
+ A 1 58 ASP 58 58 58 ASP ASP A . n
234
+ A 1 59 ASN 59 59 59 ASN ASN A . n
235
+ A 1 60 TRP 60 60 60 TRP TRP A . n
236
+ A 1 61 LEU 61 61 61 LEU LEU A . n
237
+ A 1 62 PHE 62 62 62 PHE PHE A . n
238
+ A 1 63 GLY 63 63 63 GLY GLY A . n
239
+ A 1 64 PRO 64 64 64 PRO PRO A . n
240
+ A 1 65 SER 65 65 65 SER SER A . n
241
+ A 1 66 GLU 66 66 66 GLU GLU A . n
242
+ A 1 67 GLY 67 67 67 GLY GLY A . n
243
+ A 1 68 ASP 68 68 68 ASP ASP A . n
244
+ A 1 69 TRP 69 69 69 TRP TRP A . n
245
+ A 1 70 LEU 70 70 70 LEU LEU A . n
246
+ A 1 71 ILE 71 71 71 ILE ILE A . n
247
+ A 1 72 ASP 72 72 72 ASP ASP A . n
248
+ A 1 73 LYS 73 73 73 LYS LYS A . n
249
+ A 1 74 GLU 74 74 74 GLU GLU A . n
250
+ A 1 75 SER 75 75 75 SER SER A . n
251
+ A 1 76 ILE 76 76 76 ILE ILE A . n
252
+ A 1 77 LEU 77 77 77 LEU LEU A . n
253
+ A 1 78 ALA 78 78 78 ALA ALA A . n
254
+ A 1 79 VAL 79 79 79 VAL VAL A . n
255
+ A 1 80 LYS 80 80 80 LYS LYS A . n
256
+ A 1 81 GLU 81 81 81 GLU GLU A . n
257
+ A 1 82 LYS 82 82 82 LYS LYS A . n
258
+ A 1 83 LEU 83 83 83 LEU LEU A . n
259
+ A 1 84 GLN 84 84 84 GLN GLN A . n
260
+ A 1 85 ASN 85 85 85 ASN ASN A . n
261
+ A 1 86 SER 86 86 86 SER SER A . n
262
+ A 1 87 ASP 87 87 87 ASP ASP A . n
263
+ A 1 88 PHE 88 88 88 PHE PHE A . n
264
+ A 1 89 SER 89 89 89 SER SER A . n
265
+ A 1 90 THR 90 90 90 THR THR A . n
266
+ A 1 91 GLU 91 91 91 GLU GLU A . n
267
+ A 1 92 PRO 92 92 92 PRO PRO A . n
268
+ A 1 93 LEU 93 93 93 LEU LEU A . n
269
+ A 1 94 VAL 94 94 94 VAL VAL A . n
270
+ A 1 95 LYS 95 95 95 LYS LYS A . n
271
+ A 1 96 ASN 96 96 96 ASN ASN A . n
272
+ A 1 97 ILE 97 97 97 ILE ILE A . n
273
+ A 1 98 ILE 98 98 98 ILE ILE A . n
274
+ A 1 99 HIS 99 99 99 HIS HIS A . n
275
+ A 1 100 VAL 100 100 100 VAL VAL A . n
276
+ A 1 101 LEU 101 101 101 LEU LEU A . n
277
+ A 1 102 GLU 102 102 102 GLU GLU A . n
278
+ A 1 103 TYR 103 103 103 TYR TYR A . n
279
+ A 1 104 ALA 104 104 104 ALA ALA A . n
280
+ A 1 105 ILE 105 105 105 ILE ILE A . n
281
+ A 1 106 LYS 106 106 106 LYS LYS A . n
282
+ A 1 107 ASN 107 107 107 ASN ASN A . n
283
+ A 1 108 GLU 108 108 108 GLU GLU A . n
284
+ A 1 109 LYS 109 109 109 LYS LYS A . n
285
+ A 1 110 THR 110 110 110 THR THR A . n
286
+ A 1 111 VAL 111 111 111 VAL VAL A . n
287
+ A 1 112 ILE 112 112 112 ILE ILE A . n
288
+ A 1 113 PHE 113 113 113 PHE PHE A . n
289
+ A 1 114 HIS 114 114 114 HIS HIS A . n
290
+ A 1 115 PHE 115 115 115 PHE PHE A . n
291
+ #
292
+ loop_
293
+ _chem_comp.id
294
+ _chem_comp.type
295
+ _chem_comp.mon_nstd_flag
296
+ _chem_comp.name
297
+ _chem_comp.pdbx_synonyms
298
+ _chem_comp.formula
299
+ _chem_comp.formula_weight
300
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
301
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
302
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
303
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
304
+ CYS "L-peptide linking" y CYSTEINE ? "C3 H7 N O2 S" 121.158
305
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
306
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
307
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
308
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
309
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
310
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
311
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
312
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
313
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
314
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
315
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
316
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
317
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
318
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
319
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
320
+ #
321
+ _struct_asym.id A
322
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
323
+ _struct_asym.pdbx_modified N
324
+ _struct_asym.entity_id 1
325
+ _struct_asym.details ?
326
+ #
327
+ _atom_sites.entry_id 3W1O_A
328
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
329
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
330
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
331
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
332
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
333
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
334
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
335
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
336
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
337
+ _atom_sites.fract_transf_vector[1] 0.00000
338
+ _atom_sites.fract_transf_vector[2] 0.00000
339
+ _atom_sites.fract_transf_vector[3] 0.00000
340
+ #
341
+ loop_
342
+ _atom_type.symbol
343
+ C
344
+ N
345
+ O
346
+ S
347
+ #
348
+ _entry.id 3W1O_A
349
+ #
350
+ loop_
351
+ _atom_site.group_PDB
352
+ _atom_site.id
353
+ _atom_site.type_symbol
354
+ _atom_site.label_atom_id
355
+ _atom_site.label_alt_id
356
+ _atom_site.label_comp_id
357
+ _atom_site.label_asym_id
358
+ _atom_site.label_entity_id
359
+ _atom_site.label_seq_id
360
+ _atom_site.pdbx_PDB_ins_code
361
+ _atom_site.Cartn_x
362
+ _atom_site.Cartn_y
363
+ _atom_site.Cartn_z
364
+ _atom_site.occupancy
365
+ _atom_site.B_iso_or_equiv
366
+ _atom_site.pdbx_formal_charge
367
+ _atom_site.auth_seq_id
368
+ _atom_site.auth_comp_id
369
+ _atom_site.auth_asym_id
370
+ _atom_site.auth_atom_id
371
+ _atom_site.pdbx_PDB_model_num
372
+ ATOM 1 N N . HIS A 1 1 ? 20.749 -15.687 -10.376 1.00 42.56 ? 1 HIS A N 1
373
+ ATOM 2 C CA . HIS A 1 1 ? 21.976 -14.823 -10.435 1.00 41.39 ? 1 HIS A CA 1
374
+ ATOM 3 C C . HIS A 1 1 ? 23.157 -15.458 -9.689 1.00 38.49 ? 1 HIS A C 1
375
+ ATOM 4 O O . HIS A 1 1 ? 23.140 -15.479 -8.462 1.00 39.58 ? 1 HIS A O 1
376
+ ATOM 5 C CB . HIS A 1 1 ? 21.689 -13.417 -9.888 1.00 42.13 ? 1 HIS A CB 1
377
+ ATOM 6 C CG . HIS A 1 1 ? 21.826 -12.337 -10.914 1.00 44.69 ? 1 HIS A CG 1
378
+ ATOM 7 N ND1 . HIS A 1 1 ? 21.534 -11.018 -10.646 1.00 47.57 ? 1 HIS A ND1 1
379
+ ATOM 8 C CD2 . HIS A 1 1 ? 22.206 -12.383 -12.214 1.00 48.10 ? 1 HIS A CD2 1
380
+ ATOM 9 C CE1 . HIS A 1 1 ? 21.743 -10.292 -11.732 1.00 48.18 ? 1 HIS A CE1 1
381
+ ATOM 10 N NE2 . HIS A 1 1 ? 22.154 -11.095 -12.697 1.00 49.48 ? 1 HIS A NE2 1
382
+ ATOM 11 N N . ASN A 1 2 ? 24.160 -15.975 -10.425 1.00 34.05 ? 2 ASN A N 1
383
+ ATOM 12 C CA . ASN A 1 2 ? 25.267 -16.735 -9.808 1.00 28.40 ? 2 ASN A CA 1
384
+ ATOM 13 C C . ASN A 1 2 ? 25.996 -15.908 -8.751 1.00 25.27 ? 2 ASN A C 1
385
+ ATOM 14 O O . ASN A 1 2 ? 26.011 -14.694 -8.823 1.00 25.28 ? 2 ASN A O 1
386
+ ATOM 15 C CB . ASN A 1 2 ? 26.267 -17.176 -10.871 1.00 27.80 ? 2 ASN A CB 1
387
+ ATOM 16 C CG . ASN A 1 2 ? 25.738 -18.286 -11.740 1.00 30.62 ? 2 ASN A CG 1
388
+ ATOM 17 O OD1 . ASN A 1 2 ? 25.217 -19.274 -11.243 1.00 31.01 ? 2 ASN A OD1 1
389
+ ATOM 18 N ND2 . ASN A 1 2 ? 25.908 -18.142 -13.040 1.00 31.24 ? 2 ASN A ND2 1
390
+ ATOM 19 N N . LEU A 1 3 ? 26.610 -16.594 -7.809 1.00 21.70 ? 3 LEU A N 1
391
+ ATOM 20 C CA . LEU A 1 3 ? 27.508 -16.014 -6.802 1.00 21.97 ? 3 LEU A CA 1
392
+ ATOM 21 C C . LEU A 1 3 ? 28.702 -15.399 -7.493 1.00 19.96 ? 3 LEU A C 1
393
+ ATOM 22 O O . LEU A 1 3 ? 29.267 -16.019 -8.385 1.00 19.58 ? 3 LEU A O 1
394
+ ATOM 23 C CB . LEU A 1 3 ? 27.987 -17.121 -5.849 1.00 20.22 ? 3 LEU A CB 1
395
+ ATOM 24 C CG . LEU A 1 3 ? 29.204 -16.874 -4.949 1.00 21.87 ? 3 LEU A CG 1
396
+ ATOM 25 C CD1 . LEU A 1 3 ? 28.898 -15.681 -4.009 1.00 23.04 ? 3 LEU A CD1 1
397
+ ATOM 26 C CD2 . LEU A 1 3 ? 29.415 -18.172 -4.194 1.00 22.88 ? 3 LEU A CD2 1
398
+ ATOM 27 N N . LEU A 1 4 ? 29.074 -14.182 -7.083 1.00 20.04 ? 4 LEU A N 1
399
+ ATOM 28 C CA . LEU A 1 4 ? 30.288 -13.578 -7.637 1.00 18.94 ? 4 LEU A CA 1
400
+ ATOM 29 C C . LEU A 1 4 ? 31.288 -13.345 -6.541 1.00 19.04 ? 4 LEU A C 1
401
+ ATOM 30 O O . LEU A 1 4 ? 30.938 -12.946 -5.430 1.00 18.34 ? 4 LEU A O 1
402
+ ATOM 31 C CB . LEU A 1 4 ? 29.995 -12.263 -8.353 1.00 19.61 ? 4 LEU A CB 1
403
+ ATOM 32 C CG . LEU A 1 4 ? 28.993 -12.276 -9.528 1.00 21.67 ? 4 LEU A CG 1
404
+ ATOM 33 C CD1 . LEU A 1 4 ? 28.944 -10.870 -10.124 1.00 25.99 ? 4 LEU A CD1 1
405
+ ATOM 34 C CD2 . LEU A 1 4 ? 29.351 -13.321 -10.597 1.00 22.72 ? 4 LEU A CD2 1
406
+ ATOM 35 N N . ILE A 1 5 ? 32.551 -13.583 -6.862 1.00 18.38 ? 5 ILE A N 1
407
+ ATOM 36 C CA . ILE A 1 5 ? 33.638 -13.087 -5.997 1.00 16.99 ? 5 ILE A CA 1
408
+ ATOM 37 C C . ILE A 1 5 ? 34.434 -12.215 -6.938 1.00 17.81 ? 5 ILE A C 1
409
+ ATOM 38 O O . ILE A 1 5 ? 34.866 -12.703 -7.990 1.00 18.45 ? 5 ILE A O 1
410
+ ATOM 39 C CB . ILE A 1 5 ? 34.483 -14.244 -5.501 1.00 15.83 ? 5 ILE A CB 1
411
+ ATOM 40 C CG1 . ILE A 1 5 ? 33.617 -15.135 -4.572 1.00 16.30 ? 5 ILE A CG1 1
412
+ ATOM 41 C CG2 . ILE A 1 5 ? 35.802 -13.711 -4.844 1.00 17.05 ? 5 ILE A CG2 1
413
+ ATOM 42 C CD1 . ILE A 1 5 ? 34.322 -16.373 -3.986 1.00 18.06 ? 5 ILE A CD1 1
414
+ ATOM 43 N N . PHE A 1 6 ? 34.593 -10.935 -6.633 1.00 15.95 ? 6 PHE A N 1
415
+ ATOM 44 C CA . PHE A 1 6 ? 35.256 -10.089 -7.597 1.00 17.53 ? 6 PHE A CA 1
416
+ ATOM 45 C C . PHE A 1 6 ? 35.896 -8.839 -6.991 1.00 17.91 ? 6 PHE A C 1
417
+ ATOM 46 O O . PHE A 1 6 ? 35.609 -8.497 -5.807 1.00 19.24 ? 6 PHE A O 1
418
+ ATOM 47 C CB . PHE A 1 6 ? 34.254 -9.655 -8.697 1.00 16.52 ? 6 PHE A CB 1
419
+ ATOM 48 C CG . PHE A 1 6 ? 33.276 -8.572 -8.263 1.00 18.82 ? 6 PHE A CG 1
420
+ ATOM 49 C CD1 . PHE A 1 6 ? 33.542 -7.219 -8.512 1.00 18.16 ? 6 PHE A CD1 1
421
+ ATOM 50 C CD2 . PHE A 1 6 ? 32.113 -8.917 -7.578 1.00 20.23 ? 6 PHE A CD2 1
422
+ ATOM 51 C CE1 . PHE A 1 6 ? 32.636 -6.196 -8.039 1.00 18.86 ? 6 PHE A CE1 1
423
+ ATOM 52 C CE2 . PHE A 1 6 ? 31.223 -7.918 -7.136 1.00 21.02 ? 6 PHE A CE2 1
424
+ ATOM 53 C CZ . PHE A 1 6 ? 31.498 -6.556 -7.392 1.00 20.27 ? 6 PHE A CZ 1
425
+ ATOM 54 N N . CYS A 1 7 ? 36.704 -8.166 -7.823 1.00 19.57 ? 7 CYS A N 1
426
+ ATOM 55 C CA . CYS A 1 7 ? 37.069 -6.767 -7.566 1.00 20.47 ? 7 CYS A CA 1
427
+ ATOM 56 C C . CYS A 1 7 ? 36.934 -6.044 -8.878 1.00 21.08 ? 7 CYS A C 1
428
+ ATOM 57 O O . CYS A 1 7 ? 36.753 -6.668 -9.930 1.00 20.57 ? 7 CYS A O 1
429
+ ATOM 58 C CB . CYS A 1 7 ? 38.480 -6.662 -6.938 1.00 20.99 ? 7 CYS A CB 1
430
+ ATOM 59 S SG . CYS A 1 7 ? 39.786 -7.215 -8.051 1.00 22.18 ? 7 CYS A SG 1
431
+ ATOM 60 N N . LEU A 1 8 ? 36.897 -4.713 -8.826 1.00 20.86 ? 8 LEU A N 1
432
+ ATOM 61 C CA . LEU A 1 8 ? 36.956 -3.921 -10.005 1.00 22.12 ? 8 LEU A CA 1
433
+ ATOM 62 C C . LEU A 1 8 ? 38.328 -4.049 -10.653 1.00 23.53 ? 8 LEU A C 1
434
+ ATOM 63 O O . LEU A 1 8 ? 39.355 -4.288 -9.972 1.00 22.66 ? 8 LEU A O 1
435
+ ATOM 64 C CB . LEU A 1 8 ? 36.719 -2.468 -9.668 1.00 22.25 ? 8 LEU A CB 1
436
+ ATOM 65 C CG . LEU A 1 8 ? 35.358 -2.222 -9.037 1.00 22.72 ? 8 LEU A CG 1
437
+ ATOM 66 C CD1 . LEU A 1 8 ? 35.035 -0.711 -8.856 1.00 22.41 ? 8 LEU A CD1 1
438
+ ATOM 67 C CD2 . LEU A 1 8 ? 34.299 -2.885 -9.880 1.00 26.85 ? 8 LEU A CD2 1
439
+ ATOM 68 N N . LYS A 1 9 ? 38.330 -3.842 -11.952 1.00 24.67 ? 9 LYS A N 1
440
+ ATOM 69 C CA . LYS A 1 9 ? 39.567 -3.685 -12.695 1.00 26.86 ? 9 LYS A CA 1
441
+ ATOM 70 C C . LYS A 1 9 ? 40.323 -2.411 -12.342 1.00 28.20 ? 9 LYS A C 1
442
+ ATOM 71 O O . LYS A 1 9 ? 39.729 -1.431 -11.921 1.00 27.76 ? 9 LYS A O 1
443
+ ATOM 72 C CB . LYS A 1 9 ? 39.242 -3.609 -14.167 1.00 28.51 ? 9 LYS A CB 1
444
+ ATOM 73 C CG . LYS A 1 9 ? 39.070 -4.959 -14.763 1.00 30.40 ? 9 LYS A CG 1
445
+ ATOM 74 C CD . LYS A 1 9 ? 38.457 -4.792 -16.118 1.00 38.57 ? 9 LYS A CD 1
446
+ ATOM 75 C CE . LYS A 1 9 ? 38.829 -5.911 -17.013 1.00 41.30 ? 9 LYS A CE 1
447
+ ATOM 76 N NZ . LYS A 1 9 ? 38.504 -5.408 -18.387 1.00 42.76 ? 9 LYS A NZ 1
448
+ ATOM 77 N N . ASP A 1 10 ? 41.624 -2.460 -12.587 1.00 29.53 ? 10 ASP A N 1
449
+ ATOM 78 C CA . ASP A 1 10 ? 42.556 -1.359 -12.410 1.00 32.71 ? 10 ASP A CA 1
450
+ ATOM 79 C C . ASP A 1 10 ? 41.960 -0.019 -12.844 1.00 34.35 ? 10 ASP A C 1
451
+ ATOM 80 O O . ASP A 1 10 ? 41.948 0.942 -12.069 1.00 36.17 ? 10 ASP A O 1
452
+ ATOM 81 C CB . ASP A 1 10 ? 43.856 -1.663 -13.167 1.00 33.32 ? 10 ASP A CB 1
453
+ ATOM 82 C CG . ASP A 1 10 ? 44.880 -0.542 -13.054 1.00 38.11 ? 10 ASP A CG 1
454
+ ATOM 83 O OD1 . ASP A 1 10 ? 44.798 0.248 -12.080 1.00 38.36 ? 10 ASP A OD1 1
455
+ ATOM 84 O OD2 . ASP A 1 10 ? 45.765 -0.474 -13.939 1.00 42.81 ? 10 ASP A OD2 1
456
+ ATOM 85 N N . ASN A 1 11 ? 41.429 0.103 -14.042 1.00 35.37 ? 11 ASN A N 1
457
+ ATOM 86 C CA . ASN A 1 11 ? 41.076 1.511 -14.325 1.00 38.08 ? 11 ASN A CA 1
458
+ ATOM 87 C C . ASN A 1 11 ? 39.580 1.805 -14.321 1.00 37.63 ? 11 ASN A C 1
459
+ ATOM 88 O O . ASN A 1 11 ? 39.079 2.603 -15.092 1.00 38.76 ? 11 ASN A O 1
460
+ ATOM 89 C CB . ASN A 1 11 ? 41.904 2.119 -15.481 1.00 39.26 ? 11 ASN A CB 1
461
+ ATOM 90 C CG . ASN A 1 11 ? 43.318 2.641 -15.005 1.00 42.29 ? 11 ASN A CG 1
462
+ ATOM 91 O OD1 . ASN A 1 11 ? 43.441 3.387 -14.018 1.00 46.16 ? 11 ASN A OD1 1
463
+ ATOM 92 N ND2 . ASN A 1 11 ? 44.371 2.261 -15.736 1.00 45.33 ? 11 ASN A ND2 1
464
+ ATOM 93 N N . VAL A 1 12 ? 38.899 1.137 -13.394 1.00 36.15 ? 12 VAL A N 1
465
+ ATOM 94 C CA . VAL A 1 12 ? 37.480 1.255 -13.166 1.00 34.25 ? 12 VAL A CA 1
466
+ ATOM 95 C C . VAL A 1 12 ? 37.358 1.703 -11.711 1.00 33.81 ? 12 VAL A C 1
467
+ ATOM 96 O O . VAL A 1 12 ? 37.822 1.012 -10.782 1.00 32.61 ? 12 VAL A O 1
468
+ ATOM 97 C CB . VAL A 1 12 ? 36.764 -0.118 -13.315 1.00 34.24 ? 12 VAL A CB 1
469
+ ATOM 98 C CG1 . VAL A 1 12 ? 35.308 0.005 -12.941 1.00 34.48 ? 12 VAL A CG1 1
470
+ ATOM 99 C CG2 . VAL A 1 12 ? 36.892 -0.668 -14.740 1.00 35.20 ? 12 VAL A CG2 1
471
+ ATOM 100 N N . SER A 1 13 ? 36.778 2.876 -11.536 1.00 33.23 ? 13 SER A N 1
472
+ ATOM 101 C CA . SER A 1 13 ? 36.332 3.313 -10.239 1.00 34.67 ? 13 SER A CA 1
473
+ ATOM 102 C C . SER A 1 13 ? 34.854 3.657 -10.404 1.00 32.86 ? 13 SER A C 1
474
+ ATOM 103 O O . SER A 1 13 ? 34.444 4.538 -11.165 1.00 34.58 ? 13 SER A O 1
475
+ ATOM 104 C CB . SER A 1 13 ? 37.189 4.444 -9.663 1.00 35.71 ? 13 SER A CB 1
476
+ ATOM 105 O OG . SER A 1 13 ? 38.440 3.898 -9.180 1.00 40.70 ? 13 SER A OG 1
477
+ ATOM 106 N N . ILE A 1 14 ? 34.073 2.838 -9.746 1.00 29.92 ? 14 ILE A N 1
478
+ ATOM 107 C CA . ILE A 1 14 ? 32.659 2.983 -9.664 1.00 28.81 ? 14 ILE A CA 1
479
+ ATOM 108 C C . ILE A 1 14 ? 32.510 2.932 -8.162 1.00 28.84 ? 14 ILE A C 1
480
+ ATOM 109 O O . ILE A 1 14 ? 32.975 1.979 -7.563 1.00 30.85 ? 14 ILE A O 1
481
+ ATOM 110 C CB . ILE A 1 14 ? 32.001 1.743 -10.290 1.00 28.21 ? 14 ILE A CB 1
482
+ ATOM 111 C CG1 . ILE A 1 14 ? 32.183 1.792 -11.809 1.00 30.10 ? 14 ILE A CG1 1
483
+ ATOM 112 C CG2 . ILE A 1 14 ? 30.536 1.665 -9.942 1.00 29.27 ? 14 ILE A CG2 1
484
+ ATOM 113 C CD1 . ILE A 1 14 ? 31.642 0.570 -12.531 1.00 27.42 ? 14 ILE A CD1 1
485
+ ATOM 114 N N . SER A 1 15 ? 31.954 3.959 -7.542 1.00 26.96 ? 15 SER A N 1
486
+ ATOM 115 C CA . SER A 1 15 ? 31.827 3.890 -6.101 1.00 28.62 ? 15 SER A CA 1
487
+ ATOM 116 C C . SER A 1 15 ? 30.437 3.471 -5.619 1.00 26.97 ? 15 SER A C 1
488
+ ATOM 117 O O . SER A 1 15 ? 30.303 2.934 -4.520 1.00 27.27 ? 15 SER A O 1
489
+ ATOM 118 C CB . SER A 1 15 ? 32.293 5.202 -5.479 1.00 28.13 ? 15 SER A CB 1
490
+ ATOM 119 O OG . SER A 1 15 ? 31.427 6.200 -5.883 1.00 34.63 ? 15 SER A OG 1
491
+ ATOM 120 N N . GLU A 1 16 ? 29.408 3.686 -6.422 1.00 26.89 ? 16 GLU A N 1
492
+ ATOM 121 C CA . GLU A 1 16 ? 28.087 3.313 -5.932 1.00 26.94 ? 16 GLU A CA 1
493
+ ATOM 122 C C . GLU A 1 16 ? 28.005 1.783 -5.918 1.00 26.97 ? 16 GLU A C 1
494
+ ATOM 123 O O . GLU A 1 16 ? 28.361 1.120 -6.927 1.00 25.69 ? 16 GLU A O 1
495
+ ATOM 124 C CB . GLU A 1 16 ? 26.956 3.955 -6.733 1.00 27.33 ? 16 GLU A CB 1
496
+ ATOM 125 C CG . GLU A 1 16 ? 25.677 3.903 -5.914 1.00 31.82 ? 16 GLU A CG 1
497
+ ATOM 126 C CD . GLU A 1 16 ? 24.486 4.480 -6.595 1.00 41.49 ? 16 GLU A CD 1
498
+ ATOM 127 O OE1 . GLU A 1 16 ? 24.668 5.405 -7.410 1.00 46.48 ? 16 GLU A OE1 1
499
+ ATOM 128 O OE2 . GLU A 1 16 ? 23.352 4.031 -6.285 1.00 44.79 ? 16 GLU A OE2 1
500
+ ATOM 129 N N . TYR A 1 17 ? 27.614 1.230 -4.769 1.00 26.02 ? 17 TYR A N 1
501
+ ATOM 130 C CA . TYR A 1 17 ? 27.719 -0.223 -4.564 1.00 26.73 ? 17 TYR A CA 1
502
+ ATOM 131 C C . TYR A 1 17 ? 26.881 -0.992 -5.576 1.00 26.73 ? 17 TYR A C 1
503
+ ATOM 132 O O . TYR A 1 17 ? 27.370 -1.952 -6.182 1.00 25.78 ? 17 TYR A O 1
504
+ ATOM 133 C CB . TYR A 1 17 ? 27.331 -0.632 -3.126 1.00 26.81 ? 17 TYR A CB 1
505
+ ATOM 134 C CG . TYR A 1 17 ? 27.632 -2.063 -2.834 1.00 27.46 ? 17 TYR A CG 1
506
+ ATOM 135 C CD1 . TYR A 1 17 ? 28.902 -2.455 -2.420 1.00 28.14 ? 17 TYR A CD1 1
507
+ ATOM 136 C CD2 . TYR A 1 17 ? 26.652 -3.047 -3.002 1.00 29.67 ? 17 TYR A CD2 1
508
+ ATOM 137 C CE1 . TYR A 1 17 ? 29.204 -3.759 -2.175 1.00 31.49 ? 17 TYR A CE1 1
509
+ ATOM 138 C CE2 . TYR A 1 17 ? 26.941 -4.355 -2.749 1.00 28.51 ? 17 TYR A CE2 1
510
+ ATOM 139 C CZ . TYR A 1 17 ? 28.233 -4.710 -2.338 1.00 31.34 ? 17 TYR A CZ 1
511
+ ATOM 140 O OH . TYR A 1 17 ? 28.529 -6.031 -2.078 1.00 34.45 ? 17 TYR A OH 1
512
+ ATOM 141 N N . THR A 1 18 ? 25.625 -0.570 -5.769 1.00 27.07 ? 18 THR A N 1
513
+ ATOM 142 C CA . THR A 1 18 ? 24.724 -1.268 -6.704 1.00 28.96 ? 18 THR A CA 1
514
+ ATOM 143 C C . THR A 1 18 ? 25.321 -1.274 -8.102 1.00 29.03 ? 18 THR A C 1
515
+ ATOM 144 O O . THR A 1 18 ? 25.300 -2.314 -8.817 1.00 28.86 ? 18 THR A O 1
516
+ ATOM 145 C CB . THR A 1 18 ? 23.330 -0.644 -6.724 1.00 30.36 ? 18 THR A CB 1
517
+ ATOM 146 O OG1 . THR A 1 18 ? 22.717 -0.873 -5.445 1.00 33.88 ? 18 THR A OG1 1
518
+ ATOM 147 C CG2 . THR A 1 18 ? 22.460 -1.333 -7.783 1.00 33.40 ? 18 THR A CG2 1
519
+ ATOM 148 N N . GLU A 1 19 ? 25.889 -0.131 -8.461 1.00 28.64 ? 19 GLU A N 1
520
+ ATOM 149 C CA . GLU A 1 19 ? 26.592 0.025 -9.732 1.00 30.00 ? 19 GLU A CA 1
521
+ ATOM 150 C C . GLU A 1 19 ? 27.843 -0.866 -9.857 1.00 28.80 ? 19 GLU A C 1
522
+ ATOM 151 O O . GLU A 1 19 ? 28.151 -1.292 -10.980 1.00 28.53 ? 19 GLU A O 1
523
+ ATOM 152 C CB . GLU A 1 19 ? 26.994 1.473 -9.954 1.00 30.39 ? 19 GLU A CB 1
524
+ ATOM 153 C CG . GLU A 1 19 ? 25.851 2.354 -10.352 1.00 37.59 ? 19 GLU A CG 1
525
+ ATOM 154 C CD . GLU A 1 19 ? 26.302 3.789 -10.626 1.00 44.77 ? 19 GLU A CD 1
526
+ ATOM 155 O OE1 . GLU A 1 19 ? 25.706 4.722 -10.038 1.00 47.79 ? 19 GLU A OE1 1
527
+ ATOM 156 O OE2 . GLU A 1 19 ? 27.250 3.979 -11.420 1.00 47.94 ? 19 GLU A OE2 1
528
+ ATOM 157 N N . MET A 1 20 ? 28.559 -1.134 -8.755 1.00 27.37 ? 20 MET A N 1
529
+ ATOM 158 C CA . MET A 1 20 ? 29.724 -2.058 -8.792 1.00 26.06 ? 20 MET A CA 1
530
+ ATOM 159 C C . MET A 1 20 ? 29.227 -3.467 -9.072 1.00 26.42 ? 20 MET A C 1
531
+ ATOM 160 O O . MET A 1 20 ? 29.835 -4.226 -9.828 1.00 25.03 ? 20 MET A O 1
532
+ ATOM 161 C CB . MET A 1 20 ? 30.500 -2.123 -7.460 1.00 28.50 ? 20 MET A CB 1
533
+ ATOM 162 C CG . MET A 1 20 ? 31.215 -0.886 -7.085 1.00 24.53 ? 20 MET A CG 1
534
+ ATOM 163 S SD . MET A 1 20 ? 31.901 -0.941 -5.382 1.00 31.19 ? 20 MET A SD 1
535
+ ATOM 164 C CE . MET A 1 20 ? 33.380 -1.980 -5.637 1.00 32.35 ? 20 MET A CE 1
536
+ ATOM 165 N N . ILE A 1 21 ? 28.120 -3.835 -8.426 1.00 24.97 ? 21 ILE A N 1
537
+ ATOM 166 C CA . ILE A 1 21 ? 27.549 -5.193 -8.638 1.00 24.50 ? 21 ILE A CA 1
538
+ ATOM 167 C C . ILE A 1 21 ? 27.087 -5.330 -10.091 1.00 24.56 ? 21 ILE A C 1
539
+ ATOM 168 O O . ILE A 1 21 ? 27.343 -6.354 -10.733 1.00 22.81 ? 21 ILE A O 1
540
+ ATOM 169 C CB . ILE A 1 21 ? 26.342 -5.475 -7.710 1.00 23.61 ? 21 ILE A CB 1
541
+ ATOM 170 C CG1 . ILE A 1 21 ? 26.758 -5.354 -6.238 1.00 24.11 ? 21 ILE A CG1 1
542
+ ATOM 171 C CG2 . ILE A 1 21 ? 25.745 -6.892 -7.970 1.00 23.45 ? 21 ILE A CG2 1
543
+ ATOM 172 C CD1 . ILE A 1 21 ? 27.849 -6.365 -5.813 1.00 24.40 ? 21 ILE A CD1 1
544
+ ATOM 173 N N . ASP A 1 22 ? 26.409 -4.301 -10.587 1.00 24.95 ? 22 ASP A N 1
545
+ ATOM 174 C CA . ASP A 1 22 ? 25.986 -4.276 -11.980 1.00 26.06 ? 22 ASP A CA 1
546
+ ATOM 175 C C . ASP A 1 22 ? 27.195 -4.432 -12.899 1.00 24.79 ? 22 ASP A C 1
547
+ ATOM 176 O O . ASP A 1 22 ? 27.150 -5.223 -13.814 1.00 23.78 ? 22 ASP A O 1
548
+ ATOM 177 C CB . ASP A 1 22 ? 25.260 -2.986 -12.315 1.00 27.74 ? 22 ASP A CB 1
549
+ ATOM 178 C CG . ASP A 1 22 ? 23.915 -2.849 -11.603 1.00 33.24 ? 22 ASP A CG 1
550
+ ATOM 179 O OD1 . ASP A 1 22 ? 23.329 -3.861 -11.119 1.00 36.64 ? 22 ASP A OD1 1
551
+ ATOM 180 O OD2 . ASP A 1 22 ? 23.448 -1.684 -11.551 1.00 40.83 ? 22 ASP A OD2 1
552
+ ATOM 181 N N . TRP A 1 23 ? 28.278 -3.708 -12.617 1.00 24.53 ? 23 TRP A N 1
553
+ ATOM 182 C CA . TRP A 1 23 ? 29.516 -3.818 -13.381 1.00 23.27 ? 23 TRP A CA 1
554
+ ATOM 183 C C . TRP A 1 23 ? 29.998 -5.274 -13.393 1.00 23.15 ? 23 TRP A C 1
555
+ ATOM 184 O O . TRP A 1 23 ? 30.332 -5.793 -14.471 1.00 23.36 ? 23 TRP A O 1
556
+ ATOM 185 C CB . TRP A 1 23 ? 30.608 -2.899 -12.838 1.00 24.07 ? 23 TRP A CB 1
557
+ ATOM 186 C CG . TRP A 1 23 ? 31.888 -2.987 -13.599 1.00 23.31 ? 23 TRP A CG 1
558
+ ATOM 187 C CD1 . TRP A 1 23 ? 32.268 -2.205 -14.649 1.00 22.77 ? 23 TRP A CD1 1
559
+ ATOM 188 C CD2 . TRP A 1 23 ? 32.980 -3.901 -13.348 1.00 20.62 ? 23 TRP A CD2 1
560
+ ATOM 189 N NE1 . TRP A 1 23 ? 33.519 -2.570 -15.066 1.00 22.48 ? 23 TRP A NE1 1
561
+ ATOM 190 C CE2 . TRP A 1 23 ? 33.977 -3.616 -14.301 1.00 22.22 ? 23 TRP A CE2 1
562
+ ATOM 191 C CE3 . TRP A 1 23 ? 33.199 -4.936 -12.402 1.00 23.39 ? 23 TRP A CE3 1
563
+ ATOM 192 C CZ2 . TRP A 1 23 ? 35.211 -4.329 -14.368 1.00 21.31 ? 23 TRP A CZ2 1
564
+ ATOM 193 C CZ3 . TRP A 1 23 ? 34.418 -5.644 -12.447 1.00 23.35 ? 23 TRP A CZ3 1
565
+ ATOM 194 C CH2 . TRP A 1 23 ? 35.401 -5.348 -13.435 1.00 24.83 ? 23 TRP A CH2 1
566
+ ATOM 195 N N . ALA A 1 24 ? 30.003 -5.940 -12.233 1.00 21.17 ? 24 ALA A N 1
567
+ ATOM 196 C CA . ALA A 1 24 ? 30.547 -7.303 -12.166 1.00 21.38 ? 24 ALA A CA 1
568
+ ATOM 197 C C . ALA A 1 24 ? 29.718 -8.246 -13.059 1.00 22.02 ? 24 ALA A C 1
569
+ ATOM 198 O O . ALA A 1 24 ? 30.289 -9.013 -13.835 1.00 21.19 ? 24 ALA A O 1
570
+ ATOM 199 C CB . ALA A 1 24 ? 30.546 -7.774 -10.728 1.00 20.83 ? 24 ALA A CB 1
571
+ ATOM 200 N N . TYR A 1 25 ? 28.386 -8.163 -12.940 1.00 22.69 ? 25 TYR A N 1
572
+ ATOM 201 C CA . TYR A 1 25 ? 27.509 -9.050 -13.740 1.00 24.59 ? 25 TYR A CA 1
573
+ ATOM 202 C C . TYR A 1 25 ? 27.631 -8.769 -15.215 1.00 26.05 ? 25 TYR A C 1
574
+ ATOM 203 O O . TYR A 1 25 ? 27.431 -9.682 -16.029 1.00 26.72 ? 25 TYR A O 1
575
+ ATOM 204 C CB . TYR A 1 25 ? 26.043 -8.950 -13.295 1.00 24.18 ? 25 TYR A CB 1
576
+ ATOM 205 C CG . TYR A 1 25 ? 25.776 -9.809 -12.079 1.00 25.64 ? 25 TYR A CG 1
577
+ ATOM 206 C CD1 . TYR A 1 25 ? 25.897 -11.207 -12.139 1.00 24.57 ? 25 TYR A CD1 1
578
+ ATOM 207 C CD2 . TYR A 1 25 ? 25.430 -9.229 -10.861 1.00 24.72 ? 25 TYR A CD2 1
579
+ ATOM 208 C CE1 . TYR A 1 25 ? 25.668 -12.006 -10.998 1.00 27.84 ? 25 TYR A CE1 1
580
+ ATOM 209 C CE2 . TYR A 1 25 ? 25.197 -10.013 -9.731 1.00 25.65 ? 25 TYR A CE2 1
581
+ ATOM 210 C CZ . TYR A 1 25 ? 25.309 -11.385 -9.794 1.00 26.37 ? 25 TYR A CZ 1
582
+ ATOM 211 O OH . TYR A 1 25 ? 25.092 -12.140 -8.646 1.00 28.26 ? 25 TYR A OH 1
583
+ ATOM 212 N N . LYS A 1 26 ? 27.963 -7.517 -15.551 1.00 24.76 ? 26 LYS A N 1
584
+ ATOM 213 C CA . LYS A 1 26 ? 28.257 -7.119 -16.946 1.00 26.99 ? 26 LYS A CA 1
585
+ ATOM 214 C C . LYS A 1 26 ? 29.675 -7.405 -17.432 1.00 25.53 ? 26 LYS A C 1
586
+ ATOM 215 O O . LYS A 1 26 ? 29.955 -7.240 -18.627 1.00 25.29 ? 26 LYS A O 1
587
+ ATOM 216 C CB . LYS A 1 26 ? 28.013 -5.614 -17.137 1.00 26.72 ? 26 LYS A CB 1
588
+ ATOM 217 C CG . LYS A 1 26 ? 26.522 -5.264 -17.166 1.00 33.15 ? 26 LYS A CG 1
589
+ ATOM 218 C CD . LYS A 1 26 ? 26.319 -3.785 -16.823 1.00 38.75 ? 26 LYS A CD 1
590
+ ATOM 219 C CE . LYS A 1 26 ? 26.332 -2.930 -18.071 1.00 43.63 ? 26 LYS A CE 1
591
+ ATOM 220 N NZ . LYS A 1 26 ? 25.644 -1.632 -17.758 1.00 49.22 ? 26 LYS A NZ 1
592
+ ATOM 221 N N . ASN A 1 27 ? 30.570 -7.789 -16.525 1.00 22.12 ? 27 ASN A N 1
593
+ ATOM 222 C CA . ASN A 1 27 ? 31.979 -8.032 -16.884 1.00 22.09 ? 27 ASN A CA 1
594
+ ATOM 223 C C . ASN A 1 27 ? 32.451 -9.381 -16.407 1.00 21.77 ? 27 ASN A C 1
595
+ ATOM 224 O O . ASN A 1 27 ? 33.561 -9.539 -15.855 1.00 21.79 ? 27 ASN A O 1
596
+ ATOM 225 C CB . ASN A 1 27 ? 32.840 -6.915 -16.299 1.00 20.81 ? 27 ASN A CB 1
597
+ ATOM 226 C CG . ASN A 1 27 ? 32.677 -5.635 -17.081 1.00 24.89 ? 27 ASN A CG 1
598
+ ATOM 227 O OD1 . ASN A 1 27 ? 33.303 -5.491 -18.131 1.00 26.80 ? 27 ASN A OD1 1
599
+ ATOM 228 N ND2 . ASN A 1 27 ? 31.770 -4.735 -16.633 1.00 22.44 ? 27 ASN A ND2 1
600
+ ATOM 229 N N . ILE A 1 28 ? 31.581 -10.360 -16.586 1.00 22.60 ? 28 ILE A N 1
601
+ ATOM 230 C CA . ILE A 1 28 ? 31.951 -11.732 -16.234 1.00 24.31 ? 28 ILE A CA 1
602
+ ATOM 231 C C . ILE A 1 28 ? 33.166 -12.178 -17.049 1.00 24.00 ? 28 ILE A C 1
603
+ ATOM 232 O O . ILE A 1 28 ? 33.853 -13.111 -16.645 1.00 25.58 ? 28 ILE A O 1
604
+ ATOM 233 C CB . ILE A 1 28 ? 30.795 -12.739 -16.416 1.00 25.11 ? 28 ILE A CB 1
605
+ ATOM 234 C CG1 . ILE A 1 28 ? 29.608 -12.360 -15.525 1.00 29.71 ? 28 ILE A CG1 1
606
+ ATOM 235 C CG2 . ILE A 1 28 ? 31.290 -14.181 -16.161 1.00 26.66 ? 28 ILE A CG2 1
607
+ ATOM 236 C CD1 . ILE A 1 28 ? 29.828 -12.569 -14.108 1.00 31.46 ? 28 ILE A CD1 1
608
+ ATOM 237 N N . GLN A 1 29 ? 33.476 -11.510 -18.147 1.00 23.36 ? 29 GLN A N 1
609
+ ATOM 238 C CA . GLN A 1 29 ? 34.699 -11.924 -18.867 1.00 25.83 ? 29 GLN A CA 1
610
+ ATOM 239 C C . GLN A 1 29 ? 35.952 -11.514 -18.097 1.00 24.73 ? 29 GLN A C 1
611
+ ATOM 240 O O . GLN A 1 29 ? 37.039 -12.036 -18.352 1.00 22.71 ? 29 GLN A O 1
612
+ ATOM 241 C CB . GLN A 1 29 ? 34.757 -11.362 -20.286 1.00 27.13 ? 29 GLN A CB 1
613
+ ATOM 242 C CG . GLN A 1 29 ? 35.161 -9.916 -20.407 1.00 30.86 ? 29 GLN A CG 1
614
+ ATOM 243 C CD . GLN A 1 29 ? 34.191 -8.938 -19.777 1.00 38.11 ? 29 GLN A CD 1
615
+ ATOM 244 O OE1 . GLN A 1 29 ? 32.984 -9.222 -19.621 1.00 36.83 ? 29 GLN A OE1 1
616
+ ATOM 245 N NE2 . GLN A 1 29 ? 34.715 -7.752 -19.413 1.00 38.00 ? 29 GLN A NE2 1
617
+ ATOM 246 N N . SER A 1 30 ? 35.809 -10.540 -17.172 1.00 23.51 ? 30 SER A N 1
618
+ ATOM 247 C CA . SER A 1 30 ? 36.987 -10.055 -16.460 1.00 22.48 ? 30 SER A CA 1
619
+ ATOM 248 C C . SER A 1 30 ? 37.739 -11.125 -15.642 1.00 22.14 ? 30 SER A C 1
620
+ ATOM 249 O O . SER A 1 30 ? 37.136 -11.948 -14.946 1.00 21.50 ? 30 SER A O 1
621
+ ATOM 250 C CB . SER A 1 30 ? 36.633 -8.813 -15.605 1.00 21.54 ? 30 SER A CB 1
622
+ ATOM 251 O OG . SER A 1 30 ? 37.758 -8.426 -14.821 1.00 22.91 ? 30 SER A OG 1
623
+ ATOM 252 N N . GLU A 1 31 ? 39.075 -11.066 -15.689 1.00 21.48 ? 31 GLU A N 1
624
+ ATOM 253 C CA . GLU A 1 31 ? 39.928 -11.864 -14.838 1.00 21.12 ? 31 GLU A CA 1
625
+ ATOM 254 C C . GLU A 1 31 ? 39.688 -11.514 -13.355 1.00 19.90 ? 31 GLU A C 1
626
+ ATOM 255 O O . GLU A 1 31 ? 40.077 -12.264 -12.459 1.00 19.27 ? 31 GLU A O 1
627
+ ATOM 256 C CB . GLU A 1 31 ? 41.428 -11.613 -15.189 1.00 21.85 ? 31 GLU A CB 1
628
+ ATOM 257 C CG . GLU A 1 31 ? 41.971 -10.257 -14.721 1.00 23.71 ? 31 GLU A CG 1
629
+ ATOM 258 C CD . GLU A 1 31 ? 43.402 -10.051 -15.161 1.00 30.87 ? 31 GLU A CD 1
630
+ ATOM 259 O OE1 . GLU A 1 31 ? 44.283 -10.655 -14.519 1.00 28.83 ? 31 GLU A OE1 1
631
+ ATOM 260 O OE2 . GLU A 1 31 ? 43.625 -9.289 -16.117 1.00 29.32 ? 31 GLU A OE2 1
632
+ ATOM 261 N N . THR A 1 32 ? 39.017 -10.395 -13.109 1.00 18.52 ? 32 THR A N 1
633
+ ATOM 262 C CA . THR A 1 32 ? 38.810 -9.925 -11.712 1.00 18.17 ? 32 THR A CA 1
634
+ ATOM 263 C C . THR A 1 32 ? 37.484 -10.417 -11.160 1.00 19.56 ? 32 THR A C 1
635
+ ATOM 264 O O . THR A 1 32 ? 37.147 -10.094 -10.023 1.00 18.09 ? 32 THR A O 1
636
+ ATOM 265 C CB . THR A 1 32 ? 38.829 -8.389 -11.577 1.00 17.38 ? 32 THR A CB 1
637
+ ATOM 266 O OG1 . THR A 1 32 ? 37.701 -7.817 -12.281 1.00 18.00 ? 32 THR A OG1 1
638
+ ATOM 267 C CG2 . THR A 1 32 ? 40.191 -7.811 -12.135 1.00 19.01 ? 32 THR A CG2 1
639
+ ATOM 268 N N . VAL A 1 33 ? 36.742 -11.192 -11.966 1.00 19.65 ? 33 VAL A N 1
640
+ ATOM 269 C CA . VAL A 1 33 ? 35.411 -11.629 -11.575 1.00 21.08 ? 33 VAL A CA 1
641
+ ATOM 270 C C . VAL A 1 33 ? 35.398 -13.135 -11.616 1.00 22.08 ? 33 VAL A C 1
642
+ ATOM 271 O O . VAL A 1 33 ? 35.779 -13.749 -12.650 1.00 22.86 ? 33 VAL A O 1
643
+ ATOM 272 C CB . VAL A 1 33 ? 34.280 -11.077 -12.458 1.00 21.92 ? 33 VAL A CB 1
644
+ ATOM 273 C CG1 . VAL A 1 33 ? 32.936 -11.775 -12.087 1.00 24.22 ? 33 VAL A CG1 1
645
+ ATOM 274 C CG2 . VAL A 1 33 ? 34.151 -9.575 -12.346 1.00 21.41 ? 33 VAL A CG2 1
646
+ ATOM 275 N N . VAL A 1 34 ? 34.993 -13.759 -10.516 1.00 20.70 ? 34 VAL A N 1
647
+ ATOM 276 C CA . VAL A 1 34 ? 34.756 -15.193 -10.570 1.00 21.28 ? 34 VAL A CA 1
648
+ ATOM 277 C C . VAL A 1 34 ? 33.235 -15.409 -10.445 1.00 22.19 ? 34 VAL A C 1
649
+ ATOM 278 O O . VAL A 1 34 ? 32.641 -15.015 -9.463 1.00 20.04 ? 34 VAL A O 1
650
+ ATOM 279 C CB . VAL A 1 34 ? 35.468 -15.940 -9.442 1.00 22.31 ? 34 VAL A CB 1
651
+ ATOM 280 C CG1 . VAL A 1 34 ? 35.244 -17.448 -9.589 1.00 21.78 ? 34 VAL A CG1 1
652
+ ATOM 281 C CG2 . VAL A 1 34 ? 36.982 -15.639 -9.465 1.00 24.12 ? 34 VAL A CG2 1
653
+ ATOM 282 N N . GLU A 1 35 ? 32.633 -16.073 -11.427 1.00 20.47 ? 35 GLU A N 1
654
+ ATOM 283 C CA . GLU A 1 35 ? 31.232 -16.441 -11.368 1.00 21.23 ? 35 GLU A CA 1
655
+ ATOM 284 C C . GLU A 1 35 ? 31.174 -17.883 -10.906 1.00 22.01 ? 35 GLU A C 1
656
+ ATOM 285 O O . GLU A 1 35 ? 31.883 -18.733 -11.454 1.00 23.93 ? 35 GLU A O 1
657
+ ATOM 286 C CB . GLU A 1 35 ? 30.667 -16.334 -12.797 1.00 22.90 ? 35 GLU A CB 1
658
+ ATOM 287 C CG . GLU A 1 35 ? 29.235 -16.746 -12.930 1.00 26.59 ? 35 GLU A CG 1
659
+ ATOM 288 C CD . GLU A 1 35 ? 28.800 -16.721 -14.383 1.00 29.62 ? 35 GLU A CD 1
660
+ ATOM 289 O OE1 . GLU A 1 35 ? 29.592 -17.128 -15.277 1.00 31.25 ? 35 GLU A OE1 1
661
+ ATOM 290 O OE2 . GLU A 1 35 ? 27.660 -16.296 -14.598 1.00 30.26 ? 35 GLU A OE2 1
662
+ ATOM 291 N N . ILE A 1 36 ? 30.331 -18.185 -9.918 1.00 20.19 ? 36 ILE A N 1
663
+ ATOM 292 C CA . ILE A 1 36 ? 30.338 -19.495 -9.303 1.00 19.88 ? 36 ILE A CA 1
664
+ ATOM 293 C C . ILE A 1 36 ? 28.934 -20.057 -9.363 1.00 20.32 ? 36 ILE A C 1
665
+ ATOM 294 O O . ILE A 1 36 ? 28.028 -19.466 -8.807 1.00 20.33 ? 36 ILE A O 1
666
+ ATOM 295 C CB . ILE A 1 36 ? 30.813 -19.442 -7.855 1.00 20.26 ? 36 ILE A CB 1
667
+ ATOM 296 C CG1 . ILE A 1 36 ? 32.163 -18.740 -7.809 1.00 19.09 ? 36 ILE A CG1 1
668
+ ATOM 297 C CG2 . ILE A 1 36 ? 30.970 -20.887 -7.264 1.00 20.84 ? 36 ILE A CG2 1
669
+ ATOM 298 C CD1 . ILE A 1 36 ? 32.800 -18.636 -6.383 1.00 23.60 ? 36 ILE A CD1 1
670
+ ATOM 299 N N . THR A 1 37 ? 28.772 -21.231 -9.972 1.00 19.37 ? 37 THR A N 1
671
+ ATOM 300 C CA . THR A 1 37 ? 27.425 -21.726 -10.165 1.00 21.36 ? 37 THR A CA 1
672
+ ATOM 301 C C . THR A 1 37 ? 26.951 -22.500 -8.938 1.00 21.60 ? 37 THR A C 1
673
+ ATOM 302 O O . THR A 1 37 ? 27.742 -22.883 -8.089 1.00 19.24 ? 37 THR A O 1
674
+ ATOM 303 C CB . THR A 1 37 ? 27.392 -22.673 -11.363 1.00 22.10 ? 37 THR A CB 1
675
+ ATOM 304 O OG1 . THR A 1 37 ? 28.223 -23.798 -11.063 1.00 21.83 ? 37 THR A OG1 1
676
+ ATOM 305 C CG2 . THR A 1 37 ? 27.928 -21.952 -12.593 1.00 24.12 ? 37 THR A CG2 1
677
+ ATOM 306 N N . GLU A 1 38 ? 25.647 -22.765 -8.866 1.00 23.06 ? 38 GLU A N 1
678
+ ATOM 307 C CA . GLU A 1 38 ? 25.136 -23.679 -7.835 1.00 25.49 ? 38 GLU A CA 1
679
+ ATOM 308 C C . GLU A 1 38 ? 25.931 -24.990 -7.751 1.00 24.99 ? 38 GLU A C 1
680
+ ATOM 309 O O . GLU A 1 38 ? 26.224 -25.484 -6.647 1.00 25.44 ? 38 GLU A O 1
681
+ ATOM 310 C CB . GLU A 1 38 ? 23.648 -23.996 -8.087 1.00 26.97 ? 38 GLU A CB 1
682
+ ATOM 311 C CG . GLU A 1 38 ? 22.746 -22.789 -7.974 1.00 33.56 ? 38 GLU A CG 1
683
+ ATOM 312 C CD . GLU A 1 38 ? 21.325 -23.039 -8.523 1.00 41.23 ? 38 GLU A CD 1
684
+ ATOM 313 O OE1 . GLU A 1 38 ? 21.012 -24.197 -8.891 1.00 42.47 ? 38 GLU A OE1 1
685
+ ATOM 314 O OE2 . GLU A 1 38 ? 20.537 -22.062 -8.571 1.00 43.45 ? 38 GLU A OE2 1
686
+ ATOM 315 N N . ASN A 1 39 ? 26.235 -25.600 -8.893 1.00 25.63 ? 39 ASN A N 1
687
+ ATOM 316 C CA . ASN A 1 39 ? 26.887 -26.910 -8.841 1.00 25.82 ? 39 ASN A CA 1
688
+ ATOM 317 C C . ASN A 1 39 ? 28.307 -26.784 -8.310 1.00 24.06 ? 39 ASN A C 1
689
+ ATOM 318 O O . ASN A 1 39 ? 28.782 -27.656 -7.620 1.00 23.98 ? 39 ASN A O 1
690
+ ATOM 319 C CB . ASN A 1 39 ? 26.852 -27.627 -10.203 1.00 27.39 ? 39 ASN A CB 1
691
+ ATOM 320 C CG . ASN A 1 39 ? 25.441 -28.114 -10.543 1.00 31.49 ? 39 ASN A CG 1
692
+ ATOM 321 O OD1 . ASN A 1 39 ? 24.615 -28.316 -9.638 1.00 37.95 ? 39 ASN A OD1 1
693
+ ATOM 322 N ND2 . ASN A 1 39 ? 25.149 -28.273 -11.820 1.00 36.84 ? 39 ASN A ND2 1
694
+ ATOM 323 N N . GLN A 1 40 ? 28.975 -25.683 -8.641 1.00 23.25 ? 40 GLN A N 1
695
+ ATOM 324 C CA . GLN A 1 40 ? 30.285 -25.414 -8.037 1.00 22.02 ? 40 GLN A CA 1
696
+ ATOM 325 C C . GLN A 1 40 ? 30.153 -25.156 -6.548 1.00 20.82 ? 40 GLN A C 1
697
+ ATOM 326 O O . GLN A 1 40 ? 31.021 -25.545 -5.790 1.00 20.94 ? 40 GLN A O 1
698
+ ATOM 327 C CB . GLN A 1 40 ? 30.911 -24.170 -8.660 1.00 21.40 ? 40 GLN A CB 1
699
+ ATOM 328 C CG . GLN A 1 40 ? 31.353 -24.470 -10.091 1.00 25.97 ? 40 GLN A CG 1
700
+ ATOM 329 C CD . GLN A 1 40 ? 31.869 -23.244 -10.757 1.00 25.13 ? 40 GLN A CD 1
701
+ ATOM 330 O OE1 . GLN A 1 40 ? 31.158 -22.264 -10.896 1.00 27.03 ? 40 GLN A OE1 1
702
+ ATOM 331 N NE2 . GLN A 1 40 ? 33.138 -23.286 -11.162 1.00 29.01 ? 40 GLN A NE2 1
703
+ ATOM 332 N N . ILE A 1 41 ? 29.129 -24.412 -6.149 1.00 20.59 ? 41 ILE A N 1
704
+ ATOM 333 C CA . ILE A 1 41 ? 28.945 -24.121 -4.716 1.00 20.22 ? 41 ILE A CA 1
705
+ ATOM 334 C C . ILE A 1 41 ? 28.832 -25.445 -3.977 1.00 20.92 ? 41 ILE A C 1
706
+ ATOM 335 O O . ILE A 1 41 ? 29.455 -25.658 -2.936 1.00 20.52 ? 41 ILE A O 1
707
+ ATOM 336 C CB . ILE A 1 41 ? 27.697 -23.250 -4.505 1.00 20.39 ? 41 ILE A CB 1
708
+ ATOM 337 C CG1 . ILE A 1 41 ? 27.975 -21.854 -5.037 1.00 19.46 ? 41 ILE A CG1 1
709
+ ATOM 338 C CG2 . ILE A 1 41 ? 27.260 -23.209 -3.039 1.00 18.77 ? 41 ILE A CG2 1
710
+ ATOM 339 C CD1 . ILE A 1 41 ? 26.760 -20.892 -5.058 1.00 20.16 ? 41 ILE A CD1 1
711
+ ATOM 340 N N . ILE A 1 42 ? 28.034 -26.346 -4.510 1.00 20.65 ? 42 ILE A N 1
712
+ ATOM 341 C CA . ILE A 1 42 ? 27.795 -27.610 -3.792 1.00 21.82 ? 42 ILE A CA 1
713
+ ATOM 342 C C . ILE A 1 42 ? 29.030 -28.481 -3.815 1.00 21.92 ? 42 ILE A C 1
714
+ ATOM 343 O O . ILE A 1 42 ? 29.460 -29.014 -2.794 1.00 21.18 ? 42 ILE A O 1
715
+ ATOM 344 C CB . ILE A 1 42 ? 26.568 -28.363 -4.392 1.00 21.46 ? 42 ILE A CB 1
716
+ ATOM 345 C CG1 . ILE A 1 42 ? 25.298 -27.532 -4.154 1.00 21.95 ? 42 ILE A CG1 1
717
+ ATOM 346 C CG2 . ILE A 1 42 ? 26.513 -29.843 -3.833 1.00 20.42 ? 42 ILE A CG2 1
718
+ ATOM 347 C CD1 . ILE A 1 42 ? 24.065 -27.995 -4.964 1.00 22.97 ? 42 ILE A CD1 1
719
+ ATOM 348 N N . GLU A 1 43 ? 29.646 -28.583 -4.978 1.00 21.65 ? 43 GLU A N 1
720
+ ATOM 349 C CA . GLU A 1 43 ? 30.854 -29.393 -5.103 1.00 23.99 ? 43 GLU A CA 1
721
+ ATOM 350 C C . GLU A 1 43 ? 31.887 -28.972 -4.073 1.00 22.14 ? 43 GLU A C 1
722
+ ATOM 351 O O . GLU A 1 43 ? 32.473 -29.787 -3.359 1.00 23.50 ? 43 GLU A O 1
723
+ ATOM 352 C CB . GLU A 1 43 ? 31.429 -29.155 -6.512 1.00 23.67 ? 43 GLU A CB 1
724
+ ATOM 353 C CG . GLU A 1 43 ? 32.719 -29.909 -6.829 1.00 30.56 ? 43 GLU A CG 1
725
+ ATOM 354 C CD . GLU A 1 43 ? 33.279 -29.607 -8.245 1.00 36.98 ? 43 GLU A CD 1
726
+ ATOM 355 O OE1 . GLU A 1 43 ? 32.743 -28.753 -9.025 1.00 40.01 ? 43 GLU A OE1 1
727
+ ATOM 356 O OE2 . GLU A 1 43 ? 34.311 -30.221 -8.548 1.00 40.89 ? 43 GLU A OE2 1
728
+ ATOM 357 N N . TYR A 1 44 ? 32.148 -27.679 -4.024 1.00 22.55 ? 44 TYR A N 1
729
+ ATOM 358 C CA . TYR A 1 44 ? 33.150 -27.129 -3.117 1.00 22.76 ? 44 TYR A CA 1
730
+ ATOM 359 C C . TYR A 1 44 ? 32.752 -26.989 -1.660 1.00 22.69 ? 44 TYR A C 1
731
+ ATOM 360 O O . TYR A 1 44 ? 33.600 -27.036 -0.800 1.00 25.37 ? 44 TYR A O 1
732
+ ATOM 361 C CB . TYR A 1 44 ? 33.711 -25.824 -3.706 1.00 23.34 ? 44 TYR A CB 1
733
+ ATOM 362 C CG . TYR A 1 44 ? 34.705 -26.218 -4.779 1.00 21.11 ? 44 TYR A CG 1
734
+ ATOM 363 C CD1 . TYR A 1 44 ? 36.015 -26.578 -4.448 1.00 24.55 ? 44 TYR A CD1 1
735
+ ATOM 364 C CD2 . TYR A 1 44 ? 34.308 -26.314 -6.113 1.00 25.07 ? 44 TYR A CD2 1
736
+ ATOM 365 C CE1 . TYR A 1 44 ? 36.919 -27.015 -5.452 1.00 25.22 ? 44 TYR A CE1 1
737
+ ATOM 366 C CE2 . TYR A 1 44 ? 35.199 -26.728 -7.111 1.00 25.36 ? 44 TYR A CE2 1
738
+ ATOM 367 C CZ . TYR A 1 44 ? 36.494 -27.076 -6.761 1.00 26.85 ? 44 TYR A CZ 1
739
+ ATOM 368 O OH . TYR A 1 44 ? 37.361 -27.489 -7.746 1.00 32.14 ? 44 TYR A OH 1
740
+ ATOM 369 N N . GLN A 1 45 ? 31.474 -26.836 -1.382 1.00 23.60 ? 45 GLN A N 1
741
+ ATOM 370 C CA . GLN A 1 45 ? 30.976 -26.955 -0.001 1.00 24.32 ? 45 GLN A CA 1
742
+ ATOM 371 C C . GLN A 1 45 ? 31.415 -28.308 0.569 1.00 25.91 ? 45 GLN A C 1
743
+ ATOM 372 O O . GLN A 1 45 ? 32.056 -28.390 1.624 1.00 26.04 ? 45 GLN A O 1
744
+ ATOM 373 C CB . GLN A 1 45 ? 29.440 -26.865 -0.013 1.00 25.19 ? 45 GLN A CB 1
745
+ ATOM 374 C CG . GLN A 1 45 ? 28.796 -27.192 1.341 1.00 23.91 ? 45 GLN A CG 1
746
+ ATOM 375 C CD . GLN A 1 45 ? 29.347 -26.313 2.494 1.00 28.76 ? 45 GLN A CD 1
747
+ ATOM 376 O OE1 . GLN A 1 45 ? 29.714 -26.821 3.553 1.00 32.34 ? 45 GLN A OE1 1
748
+ ATOM 377 N NE2 . GLN A 1 45 ? 29.394 -25.018 2.278 1.00 21.90 ? 45 GLN A NE2 1
749
+ ATOM 378 N N . ASN A 1 46 ? 31.075 -29.370 -0.152 1.00 26.40 ? 46 ASN A N 1
750
+ ATOM 379 C CA . ASN A 1 46 ? 31.316 -30.730 0.347 1.00 28.92 ? 46 ASN A CA 1
751
+ ATOM 380 C C . ASN A 1 46 ? 32.805 -31.094 0.374 1.00 29.99 ? 46 ASN A C 1
752
+ ATOM 381 O O . ASN A 1 46 ? 33.217 -32.065 0.990 1.00 32.85 ? 46 ASN A O 1
753
+ ATOM 382 C CB . ASN A 1 46 ? 30.454 -31.742 -0.441 1.00 28.22 ? 46 ASN A CB 1
754
+ ATOM 383 C CG . ASN A 1 46 ? 28.947 -31.507 -0.232 1.00 28.60 ? 46 ASN A CG 1
755
+ ATOM 384 O OD1 . ASN A 1 46 ? 28.517 -31.083 0.841 1.00 30.94 ? 46 ASN A OD1 1
756
+ ATOM 385 N ND2 . ASN A 1 46 ? 28.161 -31.760 -1.262 1.00 29.28 ? 46 ASN A ND2 1
757
+ ATOM 386 N N . ARG A 1 47 ? 33.627 -30.273 -0.248 1.00 28.99 ? 47 ARG A N 1
758
+ ATOM 387 C CA . ARG A 1 47 ? 35.068 -30.484 -0.157 1.00 28.56 ? 47 ARG A CA 1
759
+ ATOM 388 C C . ARG A 1 47 ? 35.772 -29.573 0.813 1.00 26.77 ? 47 ARG A C 1
760
+ ATOM 389 O O . ARG A 1 47 ? 36.988 -29.679 1.032 1.00 26.69 ? 47 ARG A O 1
761
+ ATOM 390 C CB . ARG A 1 47 ? 35.648 -30.414 -1.531 1.00 27.27 ? 47 ARG A CB 1
762
+ ATOM 391 C CG . ARG A 1 47 ? 35.218 -31.688 -2.246 1.00 30.64 ? 47 ARG A CG 1
763
+ ATOM 392 C CD . ARG A 1 47 ? 35.813 -31.803 -3.610 1.00 30.82 ? 47 ARG A CD 1
764
+ ATOM 393 N NE . ARG A 1 47 ? 37.260 -31.843 -3.482 1.00 30.33 ? 47 ARG A NE 1
765
+ ATOM 394 C CZ . ARG A 1 47 ? 38.063 -31.380 -4.422 1.00 33.07 ? 47 ARG A CZ 1
766
+ ATOM 395 N NH1 . ARG A 1 47 ? 37.507 -30.890 -5.535 1.00 28.70 ? 47 ARG A NH1 1
767
+ ATOM 396 N NH2 . ARG A 1 47 ? 39.382 -31.413 -4.245 1.00 29.96 ? 47 ARG A NH2 1
768
+ ATOM 397 N N . GLY A 1 48 ? 35.004 -28.657 1.376 1.00 25.89 ? 48 GLY A N 1
769
+ ATOM 398 C CA . GLY A 1 48 ? 35.503 -27.815 2.455 1.00 25.27 ? 48 GLY A CA 1
770
+ ATOM 399 C C . GLY A 1 48 ? 36.081 -26.460 2.052 1.00 23.45 ? 48 GLY A C 1
771
+ ATOM 400 O O . GLY A 1 48 ? 36.680 -25.784 2.886 1.00 22.06 ? 48 GLY A O 1
772
+ ATOM 401 N N . LEU A 1 49 ? 35.851 -26.032 0.805 1.00 22.97 ? 49 LEU A N 1
773
+ ATOM 402 C CA . LEU A 1 49 ? 36.339 -24.748 0.340 1.00 21.60 ? 49 LEU A CA 1
774
+ ATOM 403 C C . LEU A 1 49 ? 35.759 -23.549 1.146 1.00 22.29 ? 49 LEU A C 1
775
+ ATOM 404 O O . LEU A 1 49 ? 36.490 -22.631 1.542 1.00 23.37 ? 49 LEU A O 1
776
+ ATOM 405 C CB . LEU A 1 49 ? 36.098 -24.574 -1.165 1.00 21.81 ? 49 LEU A CB 1
777
+ ATOM 406 C CG . LEU A 1 49 ? 36.455 -23.173 -1.753 1.00 22.40 ? 49 LEU A CG 1
778
+ ATOM 407 C CD1 . LEU A 1 49 ? 37.992 -22.818 -1.523 1.00 24.97 ? 49 LEU A CD1 1
779
+ ATOM 408 C CD2 . LEU A 1 49 ? 36.159 -23.085 -3.236 1.00 22.66 ? 49 LEU A CD2 1
780
+ ATOM 409 N N . TRP A 1 50 ? 34.446 -23.536 1.379 1.00 22.41 ? 50 TRP A N 1
781
+ ATOM 410 C CA . TRP A 1 50 ? 33.854 -22.371 1.990 1.00 22.23 ? 50 TRP A CA 1
782
+ ATOM 411 C C . TRP A 1 50 ? 34.217 -22.367 3.454 1.00 23.42 ? 50 TRP A C 1
783
+ ATOM 412 O O . TRP A 1 50 ? 34.481 -21.303 4.038 1.00 23.77 ? 50 TRP A O 1
784
+ ATOM 413 C CB . TRP A 1 50 ? 32.332 -22.316 1.774 1.00 21.52 ? 50 TRP A CB 1
785
+ ATOM 414 C CG . TRP A 1 50 ? 31.964 -22.549 0.335 1.00 21.70 ? 50 TRP A CG 1
786
+ ATOM 415 C CD1 . TRP A 1 50 ? 31.108 -23.491 -0.133 1.00 21.42 ? 50 TRP A CD1 1
787
+ ATOM 416 C CD2 . TRP A 1 50 ? 32.490 -21.873 -0.818 1.00 23.00 ? 50 TRP A CD2 1
788
+ ATOM 417 N NE1 . TRP A 1 50 ? 31.041 -23.454 -1.504 1.00 21.00 ? 50 TRP A NE1 1
789
+ ATOM 418 C CE2 . TRP A 1 50 ? 31.874 -22.461 -1.958 1.00 22.52 ? 50 TRP A CE2 1
790
+ ATOM 419 C CE3 . TRP A 1 50 ? 33.398 -20.812 -1.000 1.00 22.83 ? 50 TRP A CE3 1
791
+ ATOM 420 C CZ2 . TRP A 1 50 ? 32.134 -22.036 -3.246 1.00 23.35 ? 50 TRP A CZ2 1
792
+ ATOM 421 C CZ3 . TRP A 1 50 ? 33.655 -20.385 -2.308 1.00 24.15 ? 50 TRP A CZ3 1
793
+ ATOM 422 C CH2 . TRP A 1 50 ? 33.031 -20.998 -3.401 1.00 21.83 ? 50 TRP A CH2 1
794
+ ATOM 423 N N . ARG A 1 51 ? 34.297 -23.554 4.043 1.00 24.19 ? 51 ARG A N 1
795
+ ATOM 424 C CA . ARG A 1 51 ? 34.808 -23.643 5.424 1.00 26.41 ? 51 ARG A CA 1
796
+ ATOM 425 C C . ARG A 1 51 ? 36.228 -23.056 5.565 1.00 25.71 ? 51 ARG A C 1
797
+ ATOM 426 O O . ARG A 1 51 ? 36.563 -22.404 6.553 1.00 25.05 ? 51 ARG A O 1
798
+ ATOM 427 C CB . ARG A 1 51 ? 34.773 -25.121 5.876 1.00 26.99 ? 51 ARG A CB 1
799
+ ATOM 428 C CG . ARG A 1 51 ? 33.338 -25.577 6.146 1.00 29.95 ? 51 ARG A CG 1
800
+ ATOM 429 C CD . ARG A 1 51 ? 33.296 -27.026 6.623 1.00 38.37 ? 51 ARG A CD 1
801
+ ATOM 430 N NE . ARG A 1 51 ? 32.829 -27.926 5.570 1.00 38.73 ? 51 ARG A NE 1
802
+ ATOM 431 C CZ . ARG A 1 51 ? 33.581 -28.885 5.056 1.00 42.56 ? 51 ARG A CZ 1
803
+ ATOM 432 N NH1 . ARG A 1 51 ? 34.808 -29.049 5.518 1.00 45.31 ? 51 ARG A NH1 1
804
+ ATOM 433 N NH2 . ARG A 1 51 ? 33.118 -29.689 4.088 1.00 44.94 ? 51 ARG A NH2 1
805
+ ATOM 434 N N . LEU A 1 52 ? 37.072 -23.264 4.570 1.00 26.78 ? 52 LEU A N 1
806
+ ATOM 435 C CA . LEU A 1 52 ? 38.401 -22.694 4.582 1.00 28.80 ? 52 LEU A CA 1
807
+ ATOM 436 C C . LEU A 1 52 ? 38.334 -21.195 4.577 1.00 28.86 ? 52 LEU A C 1
808
+ ATOM 437 O O . LEU A 1 52 ? 39.088 -20.554 5.319 1.00 30.28 ? 52 LEU A O 1
809
+ ATOM 438 C CB . LEU A 1 52 ? 39.190 -23.166 3.355 1.00 29.79 ? 52 LEU A CB 1
810
+ ATOM 439 C CG . LEU A 1 52 ? 40.633 -23.639 3.344 1.00 33.67 ? 52 LEU A CG 1
811
+ ATOM 440 C CD1 . LEU A 1 52 ? 41.059 -24.489 4.576 1.00 35.03 ? 52 LEU A CD1 1
812
+ ATOM 441 C CD2 . LEU A 1 52 ? 40.777 -24.457 2.081 1.00 34.31 ? 52 LEU A CD2 1
813
+ ATOM 442 N N . VAL A 1 53 ? 37.471 -20.631 3.720 1.00 28.41 ? 53 VAL A N 1
814
+ ATOM 443 C CA . VAL A 1 53 ? 37.260 -19.199 3.660 1.00 27.87 ? 53 VAL A CA 1
815
+ ATOM 444 C C . VAL A 1 53 ? 36.728 -18.694 5.002 1.00 28.34 ? 53 VAL A C 1
816
+ ATOM 445 O O . VAL A 1 53 ? 37.219 -17.694 5.542 1.00 27.89 ? 53 VAL A O 1
817
+ ATOM 446 C CB . VAL A 1 53 ? 36.307 -18.786 2.526 1.00 28.90 ? 53 VAL A CB 1
818
+ ATOM 447 C CG1 . VAL A 1 53 ? 36.099 -17.295 2.565 1.00 28.81 ? 53 VAL A CG1 1
819
+ ATOM 448 C CG2 . VAL A 1 53 ? 36.897 -19.176 1.171 1.00 26.10 ? 53 VAL A CG2 1
820
+ ATOM 449 N N . SER A 1 54 ? 35.797 -19.446 5.579 1.00 28.21 ? 54 SER A N 1
821
+ ATOM 450 C CA . SER A 1 54 ? 35.139 -19.047 6.820 1.00 27.95 ? 54 SER A CA 1
822
+ ATOM 451 C C . SER A 1 54 ? 36.123 -18.963 7.993 1.00 28.84 ? 54 SER A C 1
823
+ ATOM 452 O O . SER A 1 54 ? 35.866 -18.260 8.983 1.00 29.91 ? 54 SER A O 1
824
+ ATOM 453 C CB . SER A 1 54 ? 34.068 -20.070 7.147 1.00 27.59 ? 54 SER A CB 1
825
+ ATOM 454 O OG . SER A 1 54 ? 34.689 -21.163 7.861 1.00 29.44 ? 54 SER A OG 1
826
+ ATOM 455 N N . GLU A 1 55 ? 37.236 -19.682 7.904 1.00 29.86 ? 55 GLU A N 1
827
+ ATOM 456 C CA . GLU A 1 55 ? 38.272 -19.623 8.954 1.00 29.81 ? 55 GLU A CA 1
828
+ ATOM 457 C C . GLU A 1 55 ? 38.846 -18.226 9.116 1.00 29.85 ? 55 GLU A C 1
829
+ ATOM 458 O O . GLU A 1 55 ? 39.272 -17.883 10.204 1.00 29.57 ? 55 GLU A O 1
830
+ ATOM 459 C CB . GLU A 1 55 ? 39.403 -20.591 8.656 1.00 30.64 ? 55 GLU A CB 1
831
+ ATOM 460 C CG . GLU A 1 55 ? 39.033 -22.041 8.895 1.00 33.69 ? 55 GLU A CG 1
832
+ ATOM 461 C CD . GLU A 1 55 ? 40.204 -23.006 8.658 1.00 38.14 ? 55 GLU A CD 1
833
+ ATOM 462 O OE1 . GLU A 1 55 ? 41.400 -22.604 8.736 1.00 41.60 ? 55 GLU A OE1 1
834
+ ATOM 463 O OE2 . GLU A 1 55 ? 39.907 -24.185 8.397 1.00 41.51 ? 55 GLU A OE2 1
835
+ ATOM 464 N N . ILE A 1 56 ? 38.860 -17.432 8.036 1.00 27.43 ? 56 ILE A N 1
836
+ ATOM 465 C CA . ILE A 1 56 ? 39.286 -16.059 8.074 1.00 27.74 ? 56 ILE A CA 1
837
+ ATOM 466 C C . ILE A 1 56 ? 38.107 -15.109 8.241 1.00 27.54 ? 56 ILE A C 1
838
+ ATOM 467 O O . ILE A 1 56 ? 38.183 -14.179 9.012 1.00 28.83 ? 56 ILE A O 1
839
+ ATOM 468 C CB . ILE A 1 56 ? 40.085 -15.632 6.749 1.00 26.96 ? 56 ILE A CB 1
840
+ ATOM 469 C CG1 . ILE A 1 56 ? 41.295 -16.528 6.472 1.00 29.22 ? 56 ILE A CG1 1
841
+ ATOM 470 C CG2 . ILE A 1 56 ? 40.486 -14.125 6.792 1.00 27.79 ? 56 ILE A CG2 1
842
+ ATOM 471 C CD1 . ILE A 1 56 ? 42.237 -16.846 7.756 1.00 30.42 ? 56 ILE A CD1 1
843
+ ATOM 472 N N . THR A 1 57 ? 37.006 -15.315 7.510 1.00 26.73 ? 57 THR A N 1
844
+ ATOM 473 C CA . THR A 1 57 ? 35.971 -14.278 7.451 1.00 27.34 ? 57 THR A CA 1
845
+ ATOM 474 C C . THR A 1 57 ? 34.908 -14.469 8.512 1.00 27.48 ? 57 THR A C 1
846
+ ATOM 475 O O . THR A 1 57 ? 34.130 -13.563 8.822 1.00 28.47 ? 57 THR A O 1
847
+ ATOM 476 C CB . THR A 1 57 ? 35.244 -14.335 6.139 1.00 26.25 ? 57 THR A CB 1
848
+ ATOM 477 O OG1 . THR A 1 57 ? 34.658 -15.643 6.020 1.00 25.29 ? 57 THR A OG1 1
849
+ ATOM 478 C CG2 . THR A 1 57 ? 36.188 -14.100 4.993 1.00 27.65 ? 57 THR A CG2 1
850
+ ATOM 479 N N . ASP A 1 58 ? 34.844 -15.675 9.024 1.00 27.34 ? 58 ASP A N 1
851
+ ATOM 480 C CA . ASP A 1 58 ? 33.801 -16.102 9.960 1.00 29.25 ? 58 ASP A CA 1
852
+ ATOM 481 C C . ASP A 1 58 ? 32.416 -16.040 9.391 1.00 28.33 ? 58 ASP A C 1
853
+ ATOM 482 O O . ASP A 1 58 ? 31.440 -15.927 10.126 1.00 29.70 ? 58 ASP A O 1
854
+ ATOM 483 C CB . ASP A 1 58 ? 33.865 -15.342 11.281 1.00 31.01 ? 58 ASP A CB 1
855
+ ATOM 484 C CG . ASP A 1 58 ? 34.430 -16.196 12.334 1.00 38.84 ? 58 ASP A CG 1
856
+ ATOM 485 O OD1 . ASP A 1 58 ? 35.675 -16.107 12.537 1.00 44.02 ? 58 ASP A OD1 1
857
+ ATOM 486 O OD2 . ASP A 1 58 ? 33.637 -17.040 12.857 1.00 45.42 ? 58 ASP A OD2 1
858
+ ATOM 487 N N . ASN A 1 59 ? 32.336 -16.086 8.074 1.00 27.76 ? 59 ASN A N 1
859
+ ATOM 488 C CA . ASN A 1 59 ? 31.065 -16.111 7.384 1.00 26.05 ? 59 ASN A CA 1
860
+ ATOM 489 C C . ASN A 1 59 ? 31.060 -17.359 6.516 1.00 26.19 ? 59 ASN A C 1
861
+ ATOM 490 O O . ASN A 1 59 ? 32.111 -17.974 6.346 1.00 25.75 ? 59 ASN A O 1
862
+ ATOM 491 C CB . ASN A 1 59 ? 30.969 -14.856 6.519 1.00 27.52 ? 59 ASN A CB 1
863
+ ATOM 492 C CG . ASN A 1 59 ? 30.526 -13.642 7.316 1.00 33.22 ? 59 ASN A CG 1
864
+ ATOM 493 O OD1 . ASN A 1 59 ? 29.386 -13.598 7.786 1.00 41.12 ? 59 ASN A OD1 1
865
+ ATOM 494 N ND2 . ASN A 1 59 ? 31.405 -12.631 7.433 1.00 36.62 ? 59 ASN A ND2 1
866
+ ATOM 495 N N . TRP A 1 60 ? 29.896 -17.701 5.931 1.00 25.50 ? 60 TRP A N 1
867
+ ATOM 496 C CA . TRP A 1 60 ? 29.748 -18.894 5.086 1.00 25.39 ? 60 TRP A CA 1
868
+ ATOM 497 C C . TRP A 1 60 ? 30.187 -20.184 5.786 1.00 26.72 ? 60 TRP A C 1
869
+ ATOM 498 O O . TRP A 1 60 ? 30.804 -21.064 5.174 1.00 27.25 ? 60 TRP A O 1
870
+ ATOM 499 C CB . TRP A 1 60 ? 30.548 -18.731 3.823 1.00 24.13 ? 60 TRP A CB 1
871
+ ATOM 500 C CG . TRP A 1 60 ? 29.998 -17.654 2.900 1.00 22.53 ? 60 TRP A CG 1
872
+ ATOM 501 C CD1 . TRP A 1 60 ? 29.041 -16.727 3.161 1.00 24.59 ? 60 TRP A CD1 1
873
+ ATOM 502 C CD2 . TRP A 1 60 ? 30.452 -17.414 1.586 1.00 21.42 ? 60 TRP A CD2 1
874
+ ATOM 503 N NE1 . TRP A 1 60 ? 28.833 -15.941 2.040 1.00 24.97 ? 60 TRP A NE1 1
875
+ ATOM 504 C CE2 . TRP A 1 60 ? 29.710 -16.336 1.069 1.00 20.61 ? 60 TRP A CE2 1
876
+ ATOM 505 C CE3 . TRP A 1 60 ? 31.419 -18.031 0.782 1.00 23.26 ? 60 TRP A CE3 1
877
+ ATOM 506 C CZ2 . TRP A 1 60 ? 29.901 -15.843 -0.223 1.00 24.79 ? 60 TRP A CZ2 1
878
+ ATOM 507 C CZ3 . TRP A 1 60 ? 31.609 -17.550 -0.517 1.00 24.38 ? 60 TRP A CZ3 1
879
+ ATOM 508 C CH2 . TRP A 1 60 ? 30.863 -16.454 -0.996 1.00 24.23 ? 60 TRP A CH2 1
880
+ ATOM 509 N N . LEU A 1 61 ? 29.914 -20.269 7.082 1.00 28.33 ? 61 LEU A N 1
881
+ ATOM 510 C CA . LEU A 1 61 ? 30.249 -21.480 7.831 1.00 30.90 ? 61 LEU A CA 1
882
+ ATOM 511 C C . LEU A 1 61 ? 29.530 -22.686 7.191 1.00 30.94 ? 61 LEU A C 1
883
+ ATOM 512 O O . LEU A 1 61 ? 30.050 -23.809 7.199 1.00 31.58 ? 61 LEU A O 1
884
+ ATOM 513 C CB . LEU A 1 61 ? 29.799 -21.331 9.300 1.00 32.09 ? 61 LEU A CB 1
885
+ ATOM 514 C CG . LEU A 1 61 ? 30.289 -20.045 10.021 1.00 35.80 ? 61 LEU A CG 1
886
+ ATOM 515 C CD1 . LEU A 1 61 ? 29.463 -19.762 11.315 1.00 38.99 ? 61 LEU A CD1 1
887
+ ATOM 516 C CD2 . LEU A 1 61 ? 31.791 -20.015 10.268 1.00 36.95 ? 61 LEU A CD2 1
888
+ ATOM 517 N N . PHE A 1 62 ? 28.338 -22.425 6.657 1.00 31.00 ? 62 PHE A N 1
889
+ ATOM 518 C CA . PHE A 1 62 ? 27.573 -23.456 5.944 1.00 30.63 ? 62 PHE A CA 1
890
+ ATOM 519 C C . PHE A 1 62 ? 27.466 -23.187 4.459 1.00 28.31 ? 62 PHE A C 1
891
+ ATOM 520 O O . PHE A 1 62 ? 26.532 -23.648 3.801 1.00 27.08 ? 62 PHE A O 1
892
+ ATOM 521 C CB . PHE A 1 62 ? 26.194 -23.622 6.555 1.00 32.06 ? 62 PHE A CB 1
893
+ ATOM 522 C CG . PHE A 1 62 ? 26.239 -24.101 7.990 1.00 38.20 ? 62 PHE A CG 1
894
+ ATOM 523 C CD1 . PHE A 1 62 ? 26.710 -25.380 8.297 1.00 40.55 ? 62 PHE A CD1 1
895
+ ATOM 524 C CD2 . PHE A 1 62 ? 25.853 -23.249 9.033 1.00 42.30 ? 62 PHE A CD2 1
896
+ ATOM 525 C CE1 . PHE A 1 62 ? 26.785 -25.814 9.639 1.00 43.62 ? 62 PHE A CE1 1
897
+ ATOM 526 C CE2 . PHE A 1 62 ? 25.906 -23.670 10.364 1.00 44.38 ? 62 PHE A CE2 1
898
+ ATOM 527 C CZ . PHE A 1 62 ? 26.383 -24.945 10.665 1.00 45.84 ? 62 PHE A CZ 1
899
+ ATOM 528 N N . GLY A 1 63 ? 28.431 -22.442 3.943 1.00 26.42 ? 63 GLY A N 1
900
+ ATOM 529 C CA . GLY A 1 63 ? 28.436 -22.087 2.550 1.00 24.38 ? 63 GLY A CA 1
901
+ ATOM 530 C C . GLY A 1 63 ? 27.779 -20.750 2.295 1.00 23.32 ? 63 GLY A C 1
902
+ ATOM 531 O O . GLY A 1 63 ? 27.245 -20.124 3.191 1.00 23.07 ? 63 GLY A O 1
903
+ ATOM 532 N N . PRO A 1 64 ? 27.838 -20.298 1.052 1.00 23.43 ? 64 PRO A N 1
904
+ ATOM 533 C CA . PRO A 1 64 ? 27.323 -19.009 0.673 1.00 24.42 ? 64 PRO A CA 1
905
+ ATOM 534 C C . PRO A 1 64 ? 25.795 -18.983 0.719 1.00 24.49 ? 64 PRO A C 1
906
+ ATOM 535 O O . PRO A 1 64 ? 25.113 -20.034 0.717 1.00 25.21 ? 64 PRO A O 1
907
+ ATOM 536 C CB . PRO A 1 64 ? 27.868 -18.806 -0.760 1.00 24.99 ? 64 PRO A CB 1
908
+ ATOM 537 C CG . PRO A 1 64 ? 28.156 -20.181 -1.235 1.00 25.41 ? 64 PRO A CG 1
909
+ ATOM 538 C CD . PRO A 1 64 ? 28.489 -21.013 -0.056 1.00 23.77 ? 64 PRO A CD 1
910
+ ATOM 539 N N . SER A 1 65 ? 25.266 -17.779 0.863 1.00 24.22 ? 65 SER A N 1
911
+ ATOM 540 C CA . SER A 1 65 ? 23.848 -17.537 0.837 1.00 24.65 ? 65 SER A CA 1
912
+ ATOM 541 C C . SER A 1 65 ? 23.669 -16.136 0.256 1.00 24.87 ? 65 SER A C 1
913
+ ATOM 542 O O . SER A 1 65 ? 24.656 -15.452 -0.002 1.00 23.63 ? 65 SER A O 1
914
+ ATOM 543 C CB . SER A 1 65 ? 23.267 -17.615 2.262 1.00 24.11 ? 65 SER A CB 1
915
+ ATOM 544 O OG . SER A 1 65 ? 23.868 -16.660 3.111 1.00 25.51 ? 65 SER A OG 1
916
+ ATOM 545 N N . GLU A 1 66 ? 22.427 -15.677 0.089 1.00 24.05 ? 66 GLU A N 1
917
+ ATOM 546 C CA . GLU A 1 66 ? 22.197 -14.348 -0.435 1.00 24.86 ? 66 GLU A CA 1
918
+ ATOM 547 C C . GLU A 1 66 ? 22.800 -13.309 0.525 1.00 24.81 ? 66 GLU A C 1
919
+ ATOM 548 O O . GLU A 1 66 ? 22.623 -13.400 1.753 1.00 24.79 ? 66 GLU A O 1
920
+ ATOM 549 C CB . GLU A 1 66 ? 20.707 -14.091 -0.556 1.00 26.78 ? 66 GLU A CB 1
921
+ ATOM 550 C CG . GLU A 1 66 ? 20.375 -12.760 -1.180 1.00 30.96 ? 66 GLU A CG 1
922
+ ATOM 551 C CD . GLU A 1 66 ? 18.906 -12.699 -1.587 1.00 39.67 ? 66 GLU A CD 1
923
+ ATOM 552 O OE1 . GLU A 1 66 ? 18.060 -13.164 -0.786 1.00 41.21 ? 66 GLU A OE1 1
924
+ ATOM 553 O OE2 . GLU A 1 66 ? 18.617 -12.241 -2.719 1.00 42.89 ? 66 GLU A OE2 1
925
+ ATOM 554 N N . GLY A 1 67 ? 23.508 -12.337 -0.031 1.00 23.86 ? 67 GLY A N 1
926
+ ATOM 555 C CA . GLY A 1 67 ? 24.106 -11.280 0.790 1.00 23.00 ? 67 GLY A CA 1
927
+ ATOM 556 C C . GLY A 1 67 ? 25.303 -10.633 0.129 1.00 21.79 ? 67 GLY A C 1
928
+ ATOM 557 O O . GLY A 1 67 ? 25.577 -10.877 -1.046 1.00 21.05 ? 67 GLY A O 1
929
+ ATOM 558 N N . ASP A 1 68 ? 25.990 -9.761 0.867 1.00 21.00 ? 68 ASP A N 1
930
+ ATOM 559 C CA . ASP A 1 68 ? 27.124 -9.046 0.308 1.00 20.48 ? 68 ASP A CA 1
931
+ ATOM 560 C C . ASP A 1 68 ? 28.182 -9.007 1.355 1.00 20.50 ? 68 ASP A C 1
932
+ ATOM 561 O O . ASP A 1 68 ? 27.866 -8.745 2.526 1.00 20.67 ? 68 ASP A O 1
933
+ ATOM 562 C CB . ASP A 1 68 ? 26.731 -7.628 -0.020 1.00 21.67 ? 68 ASP A CB 1
934
+ ATOM 563 C CG . ASP A 1 68 ? 25.835 -7.570 -1.231 1.00 24.12 ? 68 ASP A CG 1
935
+ ATOM 564 O OD1 . ASP A 1 68 ? 26.389 -7.477 -2.332 1.00 25.69 ? 68 ASP A OD1 1
936
+ ATOM 565 O OD2 . ASP A 1 68 ? 24.613 -7.712 -1.079 1.00 26.02 ? 68 ASP A OD2 1
937
+ ATOM 566 N N . TRP A 1 69 ? 29.427 -9.243 0.944 1.00 19.19 ? 69 TRP A N 1
938
+ ATOM 567 C CA . TRP A 1 69 ? 30.518 -9.368 1.898 1.00 21.22 ? 69 TRP A CA 1
939
+ ATOM 568 C C . TRP A 1 69 ? 31.699 -8.653 1.287 1.00 22.15 ? 69 TRP A C 1
940
+ ATOM 569 O O . TRP A 1 69 ? 31.903 -8.693 0.065 1.00 21.27 ? 69 TRP A O 1
941
+ ATOM 570 C CB . TRP A 1 69 ? 30.886 -10.836 2.175 1.00 20.23 ? 69 TRP A CB 1
942
+ ATOM 571 C CG . TRP A 1 69 ? 29.871 -11.587 2.944 1.00 22.63 ? 69 TRP A CG 1
943
+ ATOM 572 C CD1 . TRP A 1 69 ? 29.841 -11.750 4.300 1.00 24.89 ? 69 TRP A CD1 1
944
+ ATOM 573 C CD2 . TRP A 1 69 ? 28.740 -12.308 2.428 1.00 23.10 ? 69 TRP A CD2 1
945
+ ATOM 574 N NE1 . TRP A 1 69 ? 28.766 -12.525 4.658 1.00 23.93 ? 69 TRP A NE1 1
946
+ ATOM 575 C CE2 . TRP A 1 69 ? 28.062 -12.865 3.534 1.00 23.94 ? 69 TRP A CE2 1
947
+ ATOM 576 C CE3 . TRP A 1 69 ? 28.225 -12.512 1.147 1.00 20.55 ? 69 TRP A CE3 1
948
+ ATOM 577 C CZ2 . TRP A 1 69 ? 26.903 -13.641 3.409 1.00 23.58 ? 69 TRP A CZ2 1
949
+ ATOM 578 C CZ3 . TRP A 1 69 ? 27.039 -13.329 1.012 1.00 20.88 ? 69 TRP A CZ3 1
950
+ ATOM 579 C CH2 . TRP A 1 69 ? 26.403 -13.848 2.136 1.00 22.30 ? 69 TRP A CH2 1
951
+ ATOM 580 N N . LEU A 1 70 ? 32.441 -7.938 2.107 1.00 22.90 ? 70 LEU A N 1
952
+ ATOM 581 C CA . LEU A 1 70 ? 33.530 -7.110 1.557 1.00 25.72 ? 70 LEU A CA 1
953
+ ATOM 582 C C . LEU A 1 70 ? 34.743 -7.508 2.301 1.00 27.83 ? 70 LEU A C 1
954
+ ATOM 583 O O . LEU A 1 70 ? 34.685 -7.499 3.523 1.00 29.10 ? 70 LEU A O 1
955
+ ATOM 584 C CB . LEU A 1 70 ? 33.333 -5.666 1.940 1.00 27.07 ? 70 LEU A CB 1
956
+ ATOM 585 C CG . LEU A 1 70 ? 32.127 -4.891 1.622 1.00 29.69 ? 70 LEU A CG 1
957
+ ATOM 586 C CD1 . LEU A 1 70 ? 32.533 -3.417 1.844 1.00 35.01 ? 70 LEU A CD1 1
958
+ ATOM 587 C CD2 . LEU A 1 70 ? 31.692 -5.160 0.219 1.00 32.67 ? 70 LEU A CD2 1
959
+ ATOM 588 N N . ILE A 1 71 ? 35.849 -7.790 1.594 1.00 27.54 ? 71 ILE A N 1
960
+ ATOM 589 C CA . ILE A 1 71 ? 37.049 -8.444 2.172 1.00 30.54 ? 71 ILE A CA 1
961
+ ATOM 590 C C . ILE A 1 71 ? 38.144 -7.384 2.023 1.00 29.82 ? 71 ILE A C 1
962
+ ATOM 591 O O . ILE A 1 71 ? 38.343 -6.862 0.927 1.00 27.12 ? 71 ILE A O 1
963
+ ATOM 592 C CB . ILE A 1 71 ? 37.406 -9.754 1.381 1.00 31.14 ? 71 ILE A CB 1
964
+ ATOM 593 C CG1 . ILE A 1 71 ? 36.277 -10.810 1.491 1.00 36.57 ? 71 ILE A CG1 1
965
+ ATOM 594 C CG2 . ILE A 1 71 ? 38.609 -10.446 1.956 1.00 33.99 ? 71 ILE A CG2 1
966
+ ATOM 595 C CD1 . ILE A 1 71 ? 35.063 -10.553 0.684 1.00 40.01 ? 71 ILE A CD1 1
967
+ ATOM 596 N N . ASP A 1 72 ? 38.785 -7.017 3.140 1.00 30.41 ? 72 ASP A N 1
968
+ ATOM 597 C CA . ASP A 1 72 ? 39.829 -6.013 3.141 1.00 30.17 ? 72 ASP A CA 1
969
+ ATOM 598 C C . ASP A 1 72 ? 41.205 -6.667 2.906 1.00 28.46 ? 72 ASP A C 1
970
+ ATOM 599 O O . ASP A 1 72 ? 41.332 -7.888 3.037 1.00 26.97 ? 72 ASP A O 1
971
+ ATOM 600 C CB . ASP A 1 72 ? 39.845 -5.263 4.513 1.00 32.56 ? 72 ASP A CB 1
972
+ ATOM 601 C CG . ASP A 1 72 ? 40.294 -6.154 5.740 1.00 38.48 ? 72 ASP A CG 1
973
+ ATOM 602 O OD1 . ASP A 1 72 ? 40.186 -7.412 5.764 1.00 41.87 ? 72 ASP A OD1 1
974
+ ATOM 603 O OD2 . ASP A 1 72 ? 40.749 -5.553 6.754 1.00 46.39 ? 72 ASP A OD2 1
975
+ ATOM 604 N N . LYS A 1 73 ? 42.224 -5.857 2.634 1.00 26.95 ? 73 LYS A N 1
976
+ ATOM 605 C CA . LYS A 1 73 ? 43.569 -6.395 2.336 1.00 27.30 ? 73 LYS A CA 1
977
+ ATOM 606 C C . LYS A 1 73 ? 44.046 -7.460 3.334 1.00 26.88 ? 73 LYS A C 1
978
+ ATOM 607 O O . LYS A 1 73 ? 44.523 -8.505 2.939 1.00 24.56 ? 73 LYS A O 1
979
+ ATOM 608 C CB . LYS A 1 73 ? 44.615 -5.278 2.235 1.00 27.58 ? 73 LYS A CB 1
980
+ ATOM 609 C CG . LYS A 1 73 ? 45.995 -5.787 1.872 1.00 29.39 ? 73 LYS A CG 1
981
+ ATOM 610 C CD . LYS A 1 73 ? 47.033 -4.693 1.934 1.00 30.72 ? 73 LYS A CD 1
982
+ ATOM 611 C CE . LYS A 1 73 ? 48.324 -5.169 1.290 1.00 36.24 ? 73 LYS A CE 1
983
+ ATOM 612 N NZ . LYS A 1 73 ? 49.269 -4.031 0.965 1.00 39.60 ? 73 LYS A NZ 1
984
+ ATOM 613 N N . GLU A 1 74 ? 43.938 -7.186 4.632 1.00 26.73 ? 74 GLU A N 1
985
+ ATOM 614 C CA . GLU A 1 74 ? 44.361 -8.174 5.631 1.00 27.45 ? 74 GLU A CA 1
986
+ ATOM 615 C C . GLU A 1 74 ? 43.708 -9.537 5.398 1.00 26.96 ? 74 GLU A C 1
987
+ ATOM 616 O O . GLU A 1 74 ? 44.375 -10.569 5.391 1.00 25.60 ? 74 GLU A O 1
988
+ ATOM 617 C CB . GLU A 1 74 ? 44.001 -7.726 7.058 1.00 28.30 ? 74 GLU A CB 1
989
+ ATOM 618 C CG . GLU A 1 74 ? 44.677 -8.587 8.129 1.00 32.82 ? 74 GLU A CG 1
990
+ ATOM 619 C CD . GLU A 1 74 ? 44.273 -8.218 9.568 1.00 40.42 ? 74 GLU A CD 1
991
+ ATOM 620 O OE1 . GLU A 1 74 ? 43.691 -7.128 9.778 1.00 41.08 ? 74 GLU A OE1 1
992
+ ATOM 621 O OE2 . GLU A 1 74 ? 44.541 -9.026 10.486 1.00 41.42 ? 74 GLU A OE2 1
993
+ ATOM 622 N N . SER A 1 75 ? 42.383 -9.521 5.239 1.00 25.58 ? 75 SER A N 1
994
+ ATOM 623 C CA . SER A 1 75 ? 41.644 -10.752 5.046 1.00 25.66 ? 75 SER A CA 1
995
+ ATOM 624 C C . SER A 1 75 ? 41.922 -11.358 3.652 1.00 23.78 ? 75 SER A C 1
996
+ ATOM 625 O O . SER A 1 75 ? 41.965 -12.595 3.522 1.00 24.53 ? 75 SER A O 1
997
+ ATOM 626 C CB . SER A 1 75 ? 40.150 -10.488 5.221 1.00 25.65 ? 75 SER A CB 1
998
+ ATOM 627 O OG . SER A 1 75 ? 39.858 -10.190 6.594 1.00 27.42 ? 75 SER A OG 1
999
+ ATOM 628 N N . ILE A 1 76 ? 42.098 -10.508 2.653 1.00 22.17 ? 76 ILE A N 1
1000
+ ATOM 629 C CA . ILE A 1 76 ? 42.441 -10.977 1.280 1.00 23.14 ? 76 ILE A CA 1
1001
+ ATOM 630 C C . ILE A 1 76 ? 43.709 -11.839 1.318 1.00 24.05 ? 76 ILE A C 1
1002
+ ATOM 631 O O . ILE A 1 76 ? 43.752 -12.948 0.763 1.00 23.47 ? 76 ILE A O 1
1003
+ ATOM 632 C CB . ILE A 1 76 ? 42.584 -9.823 0.260 1.00 23.42 ? 76 ILE A CB 1
1004
+ ATOM 633 C CG1 . ILE A 1 76 ? 41.217 -9.176 -0.021 1.00 20.96 ? 76 ILE A CG1 1
1005
+ ATOM 634 C CG2 . ILE A 1 76 ? 43.157 -10.307 -1.111 1.00 22.33 ? 76 ILE A CG2 1
1006
+ ATOM 635 C CD1 . ILE A 1 76 ? 41.315 -7.796 -0.695 1.00 22.38 ? 76 ILE A CD1 1
1007
+ ATOM 636 N N . LEU A 1 77 ? 44.738 -11.320 1.991 1.00 24.35 ? 77 LEU A N 1
1008
+ ATOM 637 C CA . LEU A 1 77 ? 45.996 -12.034 2.095 1.00 25.90 ? 77 LEU A CA 1
1009
+ ATOM 638 C C . LEU A 1 77 ? 45.822 -13.305 2.880 1.00 25.28 ? 77 LEU A C 1
1010
+ ATOM 639 O O . LEU A 1 77 ? 46.372 -14.320 2.509 1.00 26.13 ? 77 LEU A O 1
1011
+ ATOM 640 C CB . LEU A 1 77 ? 47.065 -11.161 2.767 1.00 26.28 ? 77 LEU A CB 1
1012
+ ATOM 641 C CG . LEU A 1 77 ? 47.588 -10.067 1.856 1.00 27.70 ? 77 LEU A CG 1
1013
+ ATOM 642 C CD1 . LEU A 1 77 ? 48.319 -8.982 2.661 1.00 31.75 ? 77 LEU A CD1 1
1014
+ ATOM 643 C CD2 . LEU A 1 77 ? 48.489 -10.679 0.776 1.00 28.90 ? 77 LEU A CD2 1
1015
+ ATOM 644 N N . ALA A 1 78 ? 45.084 -13.243 3.987 1.00 24.82 ? 78 ALA A N 1
1016
+ ATOM 645 C CA . ALA A 1 78 ? 44.855 -14.424 4.840 1.00 24.59 ? 78 ALA A CA 1
1017
+ ATOM 646 C C . ALA A 1 78 ? 44.077 -15.530 4.079 1.00 24.29 ? 78 ALA A C 1
1018
+ ATOM 647 O O . ALA A 1 78 ? 44.398 -16.703 4.201 1.00 24.23 ? 78 ALA A O 1
1019
+ ATOM 648 C CB . ALA A 1 78 ? 44.097 -14.035 6.085 1.00 24.35 ? 78 ALA A CB 1
1020
+ ATOM 649 N N . VAL A 1 79 ? 43.048 -15.148 3.327 1.00 23.74 ? 79 VAL A N 1
1021
+ ATOM 650 C CA . VAL A 1 79 ? 42.280 -16.147 2.560 1.00 24.38 ? 79 VAL A CA 1
1022
+ ATOM 651 C C . VAL A 1 79 ? 43.159 -16.704 1.460 1.00 24.06 ? 79 VAL A C 1
1023
+ ATOM 652 O O . VAL A 1 79 ? 43.176 -17.936 1.214 1.00 24.71 ? 79 VAL A O 1
1024
+ ATOM 653 C CB . VAL A 1 79 ? 40.974 -15.541 1.967 1.00 24.92 ? 79 VAL A CB 1
1025
+ ATOM 654 C CG1 . VAL A 1 79 ? 40.285 -16.547 0.997 1.00 26.93 ? 79 VAL A CG1 1
1026
+ ATOM 655 C CG2 . VAL A 1 79 ? 40.002 -15.242 3.129 1.00 24.43 ? 79 VAL A CG2 1
1027
+ ATOM 656 N N . LYS A 1 80 ? 43.918 -15.825 0.808 1.00 23.87 ? 80 LYS A N 1
1028
+ ATOM 657 C CA . LYS A 1 80 ? 44.797 -16.258 -0.268 1.00 24.86 ? 80 LYS A CA 1
1029
+ ATOM 658 C C . LYS A 1 80 ? 45.787 -17.321 0.210 1.00 26.56 ? 80 LYS A C 1
1030
+ ATOM 659 O O . LYS A 1 80 ? 46.023 -18.322 -0.477 1.00 24.76 ? 80 LYS A O 1
1031
+ ATOM 660 C CB . LYS A 1 80 ? 45.530 -15.094 -0.889 1.00 23.27 ? 80 LYS A CB 1
1032
+ ATOM 661 C CG . LYS A 1 80 ? 46.464 -15.535 -1.985 1.00 25.27 ? 80 LYS A CG 1
1033
+ ATOM 662 C CD . LYS A 1 80 ? 46.898 -14.381 -2.805 1.00 28.47 ? 80 LYS A CD 1
1034
+ ATOM 663 C CE . LYS A 1 80 ? 47.773 -13.425 -2.009 1.00 33.70 ? 80 LYS A CE 1
1035
+ ATOM 664 N NZ . LYS A 1 80 ? 49.088 -14.046 -1.700 1.00 35.56 ? 80 LYS A NZ 1
1036
+ ATOM 665 N N . GLU A 1 81 ? 46.378 -17.084 1.392 1.00 28.35 ? 81 GLU A N 1
1037
+ ATOM 666 C CA . GLU A 1 81 ? 47.283 -18.055 1.999 1.00 31.34 ? 81 GLU A CA 1
1038
+ ATOM 667 C C . GLU A 1 81 ? 46.577 -19.383 2.234 1.00 30.71 ? 81 GLU A C 1
1039
+ ATOM 668 O O . GLU A 1 81 ? 47.152 -20.417 1.887 1.00 32.25 ? 81 GLU A O 1
1040
+ ATOM 669 C CB . GLU A 1 81 ? 47.864 -17.536 3.320 1.00 31.66 ? 81 GLU A CB 1
1041
+ ATOM 670 C CG . GLU A 1 81 ? 49.226 -18.148 3.683 1.00 40.42 ? 81 GLU A CG 1
1042
+ ATOM 671 C CD . GLU A 1 81 ? 50.302 -17.837 2.627 1.00 47.79 ? 81 GLU A CD 1
1043
+ ATOM 672 O OE1 . GLU A 1 81 ? 50.405 -16.653 2.209 1.00 53.70 ? 81 GLU A OE1 1
1044
+ ATOM 673 O OE2 . GLU A 1 81 ? 51.032 -18.770 2.199 1.00 51.27 ? 81 GLU A OE2 1
1045
+ ATOM 674 N N . LYS A 1 82 ? 45.378 -19.355 2.831 1.00 29.81 ? 82 LYS A N 1
1046
+ ATOM 675 C CA . LYS A 1 82 ? 44.585 -20.571 3.128 1.00 30.02 ? 82 LYS A CA 1
1047
+ ATOM 676 C C . LYS A 1 82 ? 44.388 -21.368 1.825 1.00 28.33 ? 82 LYS A C 1
1048
+ ATOM 677 O O . LYS A 1 82 ? 44.555 -22.598 1.770 1.00 27.34 ? 82 LYS A O 1
1049
+ ATOM 678 C CB . LYS A 1 82 ? 43.200 -20.247 3.694 1.00 29.72 ? 82 LYS A CB 1
1050
+ ATOM 679 C CG . LYS A 1 82 ? 43.114 -19.718 5.107 1.00 34.20 ? 82 LYS A CG 1
1051
+ ATOM 680 C CD . LYS A 1 82 ? 43.154 -20.836 6.122 1.00 39.98 ? 82 LYS A CD 1
1052
+ ATOM 681 C CE . LYS A 1 82 ? 43.472 -20.277 7.502 1.00 42.17 ? 82 LYS A CE 1
1053
+ ATOM 682 N NZ . LYS A 1 82 ? 43.496 -21.416 8.471 1.00 47.48 ? 82 LYS A NZ 1
1054
+ ATOM 683 N N . LEU A 1 83 ? 44.011 -20.658 0.773 1.00 26.09 ? 83 LEU A N 1
1055
+ ATOM 684 C CA . LEU A 1 83 ? 43.749 -21.372 -0.484 1.00 25.34 ? 83 LEU A CA 1
1056
+ ATOM 685 C C . LEU A 1 83 ? 45.009 -21.938 -1.142 1.00 26.42 ? 83 LEU A C 1
1057
+ ATOM 686 O O . LEU A 1 83 ? 44.971 -23.034 -1.695 1.00 26.92 ? 83 LEU A O 1
1058
+ ATOM 687 C CB . LEU A 1 83 ? 43.005 -20.481 -1.469 1.00 24.10 ? 83 LEU A CB 1
1059
+ ATOM 688 C CG . LEU A 1 83 ? 41.639 -19.956 -1.023 1.00 24.48 ? 83 LEU A CG 1
1060
+ ATOM 689 C CD1 . LEU A 1 83 ? 40.952 -19.181 -2.141 1.00 24.83 ? 83 LEU A CD1 1
1061
+ ATOM 690 C CD2 . LEU A 1 83 ? 40.766 -21.071 -0.620 1.00 27.02 ? 83 LEU A CD2 1
1062
+ ATOM 691 N N . GLN A 1 84 ? 46.081 -21.150 -1.149 1.00 26.74 ? 84 GLN A N 1
1063
+ ATOM 692 C CA . GLN A 1 84 ? 47.362 -21.573 -1.750 1.00 28.56 ? 84 GLN A CA 1
1064
+ ATOM 693 C C . GLN A 1 84 ? 47.929 -22.802 -1.047 1.00 29.61 ? 84 GLN A C 1
1065
+ ATOM 694 O O . GLN A 1 84 ? 48.578 -23.622 -1.671 1.00 29.30 ? 84 GLN A O 1
1066
+ ATOM 695 C CB . GLN A 1 84 ? 48.377 -20.429 -1.691 1.00 27.73 ? 84 GLN A CB 1
1067
+ ATOM 696 C CG . GLN A 1 84 ? 48.154 -19.442 -2.806 1.00 28.49 ? 84 GLN A CG 1
1068
+ ATOM 697 C CD . GLN A 1 84 ? 49.009 -18.213 -2.670 1.00 34.10 ? 84 GLN A CD 1
1069
+ ATOM 698 O OE1 . GLN A 1 84 ? 49.458 -17.870 -1.569 1.00 35.43 ? 84 GLN A OE1 1
1070
+ ATOM 699 N NE2 . GLN A 1 84 ? 49.237 -17.537 -3.773 1.00 33.26 ? 84 GLN A NE2 1
1071
+ ATOM 700 N N . ASN A 1 85 ? 47.642 -22.928 0.250 1.00 30.67 ? 85 ASN A N 1
1072
+ ATOM 701 C CA . ASN A 1 85 ? 48.117 -24.062 1.041 1.00 32.38 ? 85 ASN A CA 1
1073
+ ATOM 702 C C . ASN A 1 85 ? 47.158 -25.233 1.129 1.00 31.74 ? 85 ASN A C 1
1074
+ ATOM 703 O O . ASN A 1 85 ? 47.482 -26.222 1.792 1.00 32.21 ? 85 ASN A O 1
1075
+ ATOM 704 C CB . ASN A 1 85 ? 48.548 -23.611 2.465 1.00 32.89 ? 85 ASN A CB 1
1076
+ ATOM 705 C CG . ASN A 1 85 ? 49.761 -22.704 2.440 1.00 37.90 ? 85 ASN A CG 1
1077
+ ATOM 706 O OD1 . ASN A 1 85 ? 49.841 -21.747 3.206 1.00 43.20 ? 85 ASN A OD1 1
1078
+ ATOM 707 N ND2 . ASN A 1 85 ? 50.707 -22.987 1.553 1.00 42.18 ? 85 ASN A ND2 1
1079
+ ATOM 708 N N . SER A 1 86 ? 46.025 -25.154 0.423 1.00 29.51 ? 86 SER A N 1
1080
+ ATOM 709 C CA . SER A 1 86 ? 44.949 -26.130 0.541 1.00 28.68 ? 86 SER A CA 1
1081
+ ATOM 710 C C . SER A 1 86 ? 45.160 -27.342 -0.340 1.00 29.26 ? 86 SER A C 1
1082
+ ATOM 711 O O . SER A 1 86 ? 46.037 -27.342 -1.202 1.00 29.60 ? 86 SER A O 1
1083
+ ATOM 712 C CB . SER A 1 86 ? 43.602 -25.510 0.177 1.00 28.05 ? 86 SER A CB 1
1084
+ ATOM 713 O OG . SER A 1 86 ? 43.526 -25.230 -1.213 1.00 25.86 ? 86 SER A OG 1
1085
+ ATOM 714 N N . ASP A 1 87 ? 44.302 -28.345 -0.151 1.00 30.22 ? 87 ASP A N 1
1086
+ ATOM 715 C CA . ASP A 1 87 ? 44.349 -29.595 -0.920 1.00 32.58 ? 87 ASP A CA 1
1087
+ ATOM 716 C C . ASP A 1 87 ? 43.785 -29.453 -2.337 1.00 31.49 ? 87 ASP A C 1
1088
+ ATOM 717 O O . ASP A 1 87 ? 43.964 -30.335 -3.151 1.00 32.46 ? 87 ASP A O 1
1089
+ ATOM 718 C CB . ASP A 1 87 ? 43.609 -30.716 -0.160 1.00 34.32 ? 87 ASP A CB 1
1090
+ ATOM 719 C CG . ASP A 1 87 ? 44.394 -31.183 1.069 1.00 39.83 ? 87 ASP A CG 1
1091
+ ATOM 720 O OD1 . ASP A 1 87 ? 45.638 -31.012 1.042 1.00 45.68 ? 87 ASP A OD1 1
1092
+ ATOM 721 O OD2 . ASP A 1 87 ? 43.785 -31.687 2.050 1.00 45.37 ? 87 ASP A OD2 1
1093
+ ATOM 722 N N . PHE A 1 88 ? 43.136 -28.334 -2.636 1.00 31.20 ? 88 PHE A N 1
1094
+ ATOM 723 C CA . PHE A 1 88 ? 42.625 -28.107 -4.013 1.00 30.45 ? 88 PHE A CA 1
1095
+ ATOM 724 C C . PHE A 1 88 ? 43.228 -26.825 -4.573 1.00 29.62 ? 88 PHE A C 1
1096
+ ATOM 725 O O . PHE A 1 88 ? 42.617 -26.140 -5.385 1.00 29.20 ? 88 PHE A O 1
1097
+ ATOM 726 C CB . PHE A 1 88 ? 41.060 -28.086 -4.080 1.00 31.26 ? 88 PHE A CB 1
1098
+ ATOM 727 C CG . PHE A 1 88 ? 40.405 -27.587 -2.848 1.00 29.53 ? 88 PHE A CG 1
1099
+ ATOM 728 C CD1 . PHE A 1 88 ? 40.819 -26.391 -2.269 1.00 29.46 ? 88 PHE A CD1 1
1100
+ ATOM 729 C CD2 . PHE A 1 88 ? 39.367 -28.306 -2.260 1.00 31.73 ? 88 PHE A CD2 1
1101
+ ATOM 730 C CE1 . PHE A 1 88 ? 40.254 -25.930 -1.097 1.00 30.87 ? 88 PHE A CE1 1
1102
+ ATOM 731 C CE2 . PHE A 1 88 ? 38.784 -27.862 -1.094 1.00 30.03 ? 88 PHE A CE2 1
1103
+ ATOM 732 C CZ . PHE A 1 88 ? 39.243 -26.675 -0.493 1.00 31.01 ? 88 PHE A CZ 1
1104
+ ATOM 733 N N . SER A 1 89 ? 44.442 -26.488 -4.135 1.00 27.78 ? 89 SER A N 1
1105
+ ATOM 734 C CA . SER A 1 89 ? 45.013 -25.205 -4.489 1.00 27.20 ? 89 SER A CA 1
1106
+ ATOM 735 C C . SER A 1 89 ? 45.319 -25.108 -5.986 1.00 27.21 ? 89 SER A C 1
1107
+ ATOM 736 O O . SER A 1 89 ? 45.633 -24.029 -6.478 1.00 29.09 ? 89 SER A O 1
1108
+ ATOM 737 C CB . SER A 1 89 ? 46.311 -24.983 -3.722 1.00 27.72 ? 89 SER A CB 1
1109
+ ATOM 738 O OG . SER A 1 89 ? 47.297 -25.930 -4.192 1.00 28.66 ? 89 SER A OG 1
1110
+ ATOM 739 N N . THR A 1 90 ? 45.276 -26.231 -6.704 1.00 24.52 ? 90 THR A N 1
1111
+ ATOM 740 C CA . THR A 1 90 ? 45.510 -26.182 -8.127 1.00 24.66 ? 90 THR A CA 1
1112
+ ATOM 741 C C . THR A 1 90 ? 44.256 -26.330 -8.950 1.00 24.96 ? 90 THR A C 1
1113
+ ATOM 742 O O . THR A 1 90 ? 44.327 -26.348 -10.181 1.00 26.31 ? 90 THR A O 1
1114
+ ATOM 743 C CB . THR A 1 90 ? 46.557 -27.245 -8.596 1.00 24.79 ? 90 THR A CB 1
1115
+ ATOM 744 O OG1 . THR A 1 90 ? 46.019 -28.566 -8.468 1.00 24.50 ? 90 THR A OG1 1
1116
+ ATOM 745 C CG2 . THR A 1 90 ? 47.830 -27.102 -7.800 1.00 24.63 ? 90 THR A CG2 1
1117
+ ATOM 746 N N . GLU A 1 91 ? 43.093 -26.393 -8.313 1.00 22.53 ? 91 GLU A N 1
1118
+ ATOM 747 C CA . GLU A 1 91 ? 41.897 -26.646 -9.086 1.00 23.19 ? 91 GLU A CA 1
1119
+ ATOM 748 C C . GLU A 1 91 ? 41.411 -25.318 -9.648 1.00 21.14 ? 91 GLU A C 1
1120
+ ATOM 749 O O . GLU A 1 91 ? 41.646 -24.273 -9.056 1.00 20.14 ? 91 GLU A O 1
1121
+ ATOM 750 C CB . GLU A 1 91 ? 40.874 -27.343 -8.203 1.00 23.56 ? 91 GLU A CB 1
1122
+ ATOM 751 C CG . GLU A 1 91 ? 41.391 -28.708 -7.826 1.00 27.16 ? 91 GLU A CG 1
1123
+ ATOM 752 C CD . GLU A 1 91 ? 40.429 -29.508 -7.015 1.00 31.83 ? 91 GLU A CD 1
1124
+ ATOM 753 O OE1 . GLU A 1 91 ? 39.256 -29.097 -6.907 1.00 31.49 ? 91 GLU A OE1 1
1125
+ ATOM 754 O OE2 . GLU A 1 91 ? 40.862 -30.558 -6.459 1.00 32.82 ? 91 GLU A OE2 1
1126
+ ATOM 755 N N . PRO A 1 92 ? 40.824 -25.340 -10.855 1.00 21.55 ? 92 PRO A N 1
1127
+ ATOM 756 C CA . PRO A 1 92 ? 40.549 -24.048 -11.515 1.00 20.08 ? 92 PRO A CA 1
1128
+ ATOM 757 C C . PRO A 1 92 ? 39.782 -23.076 -10.677 1.00 19.78 ? 92 PRO A C 1
1129
+ ATOM 758 O O . PRO A 1 92 ? 40.171 -21.924 -10.639 1.00 21.09 ? 92 PRO A O 1
1130
+ ATOM 759 C CB . PRO A 1 92 ? 39.743 -24.444 -12.761 1.00 20.60 ? 92 PRO A CB 1
1131
+ ATOM 760 C CG . PRO A 1 92 ? 40.336 -25.875 -13.084 1.00 22.79 ? 92 PRO A CG 1
1132
+ ATOM 761 C CD . PRO A 1 92 ? 40.539 -26.505 -11.724 1.00 20.80 ? 92 PRO A CD 1
1133
+ ATOM 762 N N . LEU A 1 93 ? 38.687 -23.479 -10.027 1.00 19.35 ? 93 LEU A N 1
1134
+ ATOM 763 C CA . LEU A 1 93 ? 37.929 -22.469 -9.279 1.00 19.69 ? 93 LEU A CA 1
1135
+ ATOM 764 C C . LEU A 1 93 ? 38.797 -21.822 -8.191 1.00 19.33 ? 93 LEU A C 1
1136
+ ATOM 765 O O . LEU A 1 93 ? 38.722 -20.603 -7.949 1.00 18.25 ? 93 LEU A O 1
1137
+ ATOM 766 C CB . LEU A 1 93 ? 36.683 -23.112 -8.640 1.00 21.03 ? 93 LEU A CB 1
1138
+ ATOM 767 C CG . LEU A 1 93 ? 35.857 -22.189 -7.715 1.00 21.41 ? 93 LEU A CG 1
1139
+ ATOM 768 C CD1 . LEU A 1 93 ? 35.279 -21.053 -8.558 1.00 20.90 ? 93 LEU A CD1 1
1140
+ ATOM 769 C CD2 . LEU A 1 93 ? 34.724 -22.987 -7.027 1.00 25.39 ? 93 LEU A CD2 1
1141
+ ATOM 770 N N . VAL A 1 94 ? 39.594 -22.637 -7.503 1.00 18.85 ? 94 VAL A N 1
1142
+ ATOM 771 C CA . VAL A 1 94 ? 40.427 -22.120 -6.438 1.00 19.51 ? 94 VAL A CA 1
1143
+ ATOM 772 C C . VAL A 1 94 ? 41.482 -21.203 -7.033 1.00 19.05 ? 94 VAL A C 1
1144
+ ATOM 773 O O . VAL A 1 94 ? 41.735 -20.142 -6.483 1.00 18.20 ? 94 VAL A O 1
1145
+ ATOM 774 C CB . VAL A 1 94 ? 41.050 -23.259 -5.586 1.00 20.26 ? 94 VAL A CB 1
1146
+ ATOM 775 C CG1 . VAL A 1 94 ? 41.922 -22.670 -4.437 1.00 20.06 ? 94 VAL A CG1 1
1147
+ ATOM 776 C CG2 . VAL A 1 94 ? 39.899 -24.162 -5.014 1.00 23.53 ? 94 VAL A CG2 1
1148
+ ATOM 777 N N . LYS A 1 95 ? 42.084 -21.587 -8.185 1.00 17.81 ? 95 LYS A N 1
1149
+ ATOM 778 C CA . LYS A 1 95 ? 43.018 -20.719 -8.858 1.00 19.30 ? 95 LYS A CA 1
1150
+ ATOM 779 C C . LYS A 1 95 ? 42.376 -19.398 -9.256 1.00 19.62 ? 95 LYS A C 1
1151
+ ATOM 780 O O . LYS A 1 95 ? 43.018 -18.349 -9.188 1.00 20.83 ? 95 LYS A O 1
1152
+ ATOM 781 C CB . LYS A 1 95 ? 43.605 -21.364 -10.128 1.00 18.49 ? 95 LYS A CB 1
1153
+ ATOM 782 C CG . LYS A 1 95 ? 44.589 -22.541 -9.846 1.00 20.39 ? 95 LYS A CG 1
1154
+ ATOM 783 C CD . LYS A 1 95 ? 44.969 -23.247 -11.187 1.00 18.05 ? 95 LYS A CD 1
1155
+ ATOM 784 C CE . LYS A 1 95 ? 45.611 -22.217 -12.139 1.00 20.51 ? 95 LYS A CE 1
1156
+ ATOM 785 N NZ . LYS A 1 95 ? 46.274 -22.990 -13.183 1.00 18.17 ? 95 LYS A NZ 1
1157
+ ATOM 786 N N . ASN A 1 96 ? 41.137 -19.476 -9.724 1.00 20.41 ? 96 ASN A N 1
1158
+ ATOM 787 C CA . ASN A 1 96 ? 40.460 -18.296 -10.156 1.00 20.67 ? 96 ASN A CA 1
1159
+ ATOM 788 C C . ASN A 1 96 ? 40.195 -17.344 -8.977 1.00 20.08 ? 96 ASN A C 1
1160
+ ATOM 789 O O . ASN A 1 96 ? 40.291 -16.129 -9.141 1.00 19.85 ? 96 ASN A O 1
1161
+ ATOM 790 C CB . ASN A 1 96 ? 39.172 -18.669 -10.864 1.00 20.67 ? 96 ASN A CB 1
1162
+ ATOM 791 C CG . ASN A 1 96 ? 39.435 -19.240 -12.248 1.00 23.50 ? 96 ASN A CG 1
1163
+ ATOM 792 O OD1 . ASN A 1 96 ? 40.482 -18.966 -12.830 1.00 27.69 ? 96 ASN A OD1 1
1164
+ ATOM 793 N ND2 . ASN A 1 96 ? 38.525 -20.041 -12.743 1.00 24.44 ? 96 ASN A ND2 1
1165
+ ATOM 794 N N . ILE A 1 97 ? 39.831 -17.911 -7.832 1.00 17.97 ? 97 ILE A N 1
1166
+ ATOM 795 C CA . ILE A 1 97 ? 39.567 -17.064 -6.649 1.00 18.93 ? 97 ILE A CA 1
1167
+ ATOM 796 C C . ILE A 1 97 ? 40.892 -16.471 -6.218 1.00 18.68 ? 97 ILE A C 1
1168
+ ATOM 797 O O . ILE A 1 97 ? 41.002 -15.252 -6.021 1.00 17.76 ? 97 ILE A O 1
1169
+ ATOM 798 C CB . ILE A 1 97 ? 38.926 -17.867 -5.493 1.00 18.51 ? 97 ILE A CB 1
1170
+ ATOM 799 C CG1 . ILE A 1 97 ? 37.494 -18.227 -5.871 1.00 20.72 ? 97 ILE A CG1 1
1171
+ ATOM 800 C CG2 . ILE A 1 97 ? 38.917 -17.031 -4.201 1.00 20.93 ? 97 ILE A CG2 1
1172
+ ATOM 801 C CD1 . ILE A 1 97 ? 36.827 -19.227 -4.871 1.00 18.44 ? 97 ILE A CD1 1
1173
+ ATOM 802 N N . ILE A 1 98 ? 41.928 -17.306 -6.199 1.00 17.52 ? 98 ILE A N 1
1174
+ ATOM 803 C CA . ILE A 1 98 ? 43.273 -16.803 -5.850 1.00 18.83 ? 98 ILE A CA 1
1175
+ ATOM 804 C C . ILE A 1 98 ? 43.682 -15.625 -6.732 1.00 19.04 ? 98 ILE A C 1
1176
+ ATOM 805 O O . ILE A 1 98 ? 44.268 -14.615 -6.266 1.00 19.10 ? 98 ILE A O 1
1177
+ ATOM 806 C CB . ILE A 1 98 ? 44.321 -17.936 -5.885 1.00 19.64 ? 98 ILE A CB 1
1178
+ ATOM 807 C CG1 . ILE A 1 98 ? 44.148 -18.881 -4.691 1.00 19.26 ? 98 ILE A CG1 1
1179
+ ATOM 808 C CG2 . ILE A 1 98 ? 45.742 -17.345 -5.908 1.00 19.79 ? 98 ILE A CG2 1
1180
+ ATOM 809 C CD1 . ILE A 1 98 ? 44.965 -20.230 -4.873 1.00 19.85 ? 98 ILE A CD1 1
1181
+ ATOM 810 N N . HIS A 1 99 ? 43.349 -15.730 -8.012 1.00 19.07 ? 99 HIS A N 1
1182
+ ATOM 811 C CA . HIS A 1 99 ? 43.771 -14.695 -8.922 1.00 20.75 ? 99 HIS A CA 1
1183
+ ATOM 812 C C . HIS A 1 99 ? 43.105 -13.353 -8.635 1.00 21.42 ? 99 HIS A C 1
1184
+ ATOM 813 O O . HIS A 1 99 ? 43.741 -12.281 -8.772 1.00 20.88 ? 99 HIS A O 1
1185
+ ATOM 814 C CB . HIS A 1 99 ? 43.438 -15.058 -10.359 1.00 21.44 ? 99 HIS A CB 1
1186
+ ATOM 815 C CG . HIS A 1 99 ? 44.048 -14.105 -11.319 1.00 25.29 ? 99 HIS A CG 1
1187
+ ATOM 816 N ND1 . HIS A 1 99 ? 45.413 -14.044 -11.522 1.00 27.61 ? 99 HIS A ND1 1
1188
+ ATOM 817 C CD2 . HIS A 1 99 ? 43.506 -13.094 -12.040 1.00 25.57 ? 99 HIS A CD2 1
1189
+ ATOM 818 C CE1 . HIS A 1 99 ? 45.679 -13.068 -12.374 1.00 28.99 ? 99 HIS A CE1 1
1190
+ ATOM 819 N NE2 . HIS A 1 99 ? 44.539 -12.477 -12.705 1.00 27.52 ? 99 HIS A NE2 1
1191
+ ATOM 820 N N . VAL A 1 100 ? 41.800 -13.401 -8.340 1.00 20.16 ? 100 VAL A N 1
1192
+ ATOM 821 C CA . VAL A 1 100 ? 41.097 -12.169 -7.925 1.00 19.82 ? 100 VAL A CA 1
1193
+ ATOM 822 C C . VAL A 1 100 ? 41.753 -11.572 -6.709 1.00 19.19 ? 100 VAL A C 1
1194
+ ATOM 823 O O . VAL A 1 100 ? 41.987 -10.373 -6.652 1.00 20.23 ? 100 VAL A O 1
1195
+ ATOM 824 C CB . VAL A 1 100 ? 39.633 -12.455 -7.581 1.00 19.35 ? 100 VAL A CB 1
1196
+ ATOM 825 C CG1 . VAL A 1 100 ? 38.955 -11.120 -7.015 1.00 18.62 ? 100 VAL A CG1 1
1197
+ ATOM 826 C CG2 . VAL A 1 100 ? 38.950 -12.913 -8.894 1.00 20.50 ? 100 VAL A CG2 1
1198
+ ATOM 827 N N . LEU A 1 101 ? 42.084 -12.413 -5.758 1.00 19.47 ? 101 LEU A N 1
1199
+ ATOM 828 C CA . LEU A 1 101 ? 42.751 -11.943 -4.537 1.00 20.52 ? 101 LEU A CA 1
1200
+ ATOM 829 C C . LEU A 1 101 ? 44.107 -11.273 -4.860 1.00 21.14 ? 101 LEU A C 1
1201
+ ATOM 830 O O . LEU A 1 101 ? 44.392 -10.150 -4.426 1.00 21.57 ? 101 LEU A O 1
1202
+ ATOM 831 C CB . LEU A 1 101 ? 42.909 -13.094 -3.530 1.00 18.91 ? 101 LEU A CB 1
1203
+ ATOM 832 C CG . LEU A 1 101 ? 41.595 -13.802 -3.117 1.00 20.93 ? 101 LEU A CG 1
1204
+ ATOM 833 C CD1 . LEU A 1 101 ? 41.908 -14.927 -2.137 1.00 22.68 ? 101 LEU A CD1 1
1205
+ ATOM 834 C CD2 . LEU A 1 101 ? 40.555 -12.809 -2.538 1.00 22.20 ? 101 LEU A CD2 1
1206
+ ATOM 835 N N . GLU A 1 102 ? 44.923 -11.932 -5.662 1.00 21.52 ? 102 GLU A N 1
1207
+ ATOM 836 C CA . GLU A 1 102 ? 46.210 -11.331 -6.076 1.00 22.04 ? 102 GLU A CA 1
1208
+ ATOM 837 C C . GLU A 1 102 ? 46.034 -10.006 -6.785 1.00 22.17 ? 102 GLU A C 1
1209
+ ATOM 838 O O . GLU A 1 102 ? 46.787 -9.035 -6.526 1.00 22.52 ? 102 GLU A O 1
1210
+ ATOM 839 C CB . GLU A 1 102 ? 46.994 -12.320 -6.970 1.00 22.83 ? 102 GLU A CB 1
1211
+ ATOM 840 C CG . GLU A 1 102 ? 47.442 -13.522 -6.189 1.00 23.40 ? 102 GLU A CG 1
1212
+ ATOM 841 C CD . GLU A 1 102 ? 48.236 -14.526 -6.993 1.00 29.46 ? 102 GLU A CD 1
1213
+ ATOM 842 O OE1 . GLU A 1 102 ? 48.245 -14.409 -8.227 1.00 28.76 ? 102 GLU A OE1 1
1214
+ ATOM 843 O OE2 . GLU A 1 102 ? 48.834 -15.444 -6.376 1.00 32.05 ? 102 GLU A OE2 1
1215
+ ATOM 844 N N . TYR A 1 103 ? 45.046 -9.932 -7.675 1.00 19.98 ? 103 TYR A N 1
1216
+ ATOM 845 C CA . TYR A 1 103 ? 44.836 -8.738 -8.436 1.00 20.68 ? 103 TYR A CA 1
1217
+ ATOM 846 C C . TYR A 1 103 ? 44.453 -7.606 -7.464 1.00 20.34 ? 103 TYR A C 1
1218
+ ATOM 847 O O . TYR A 1 103 ? 44.836 -6.430 -7.654 1.00 21.52 ? 103 TYR A O 1
1219
+ ATOM 848 C CB . TYR A 1 103 ? 43.694 -8.941 -9.423 1.00 19.39 ? 103 TYR A CB 1
1220
+ ATOM 849 C CG . TYR A 1 103 ? 43.487 -7.829 -10.410 1.00 20.32 ? 103 TYR A CG 1
1221
+ ATOM 850 C CD1 . TYR A 1 103 ? 43.929 -7.929 -11.722 1.00 22.05 ? 103 TYR A CD1 1
1222
+ ATOM 851 C CD2 . TYR A 1 103 ? 42.799 -6.662 -10.040 1.00 22.20 ? 103 TYR A CD2 1
1223
+ ATOM 852 C CE1 . TYR A 1 103 ? 43.707 -6.899 -12.671 1.00 22.62 ? 103 TYR A CE1 1
1224
+ ATOM 853 C CE2 . TYR A 1 103 ? 42.624 -5.627 -10.964 1.00 21.93 ? 103 TYR A CE2 1
1225
+ ATOM 854 C CZ . TYR A 1 103 ? 43.040 -5.753 -12.253 1.00 22.88 ? 103 TYR A CZ 1
1226
+ ATOM 855 O OH . TYR A 1 103 ? 42.822 -4.720 -13.120 1.00 25.13 ? 103 TYR A OH 1
1227
+ ATOM 856 N N . ALA A 1 104 ? 43.631 -7.935 -6.492 1.00 21.81 ? 104 ALA A N 1
1228
+ ATOM 857 C CA . ALA A 1 104 ? 43.099 -6.913 -5.570 1.00 21.88 ? 104 ALA A CA 1
1229
+ ATOM 858 C C . ALA A 1 104 ? 44.239 -6.426 -4.707 1.00 23.46 ? 104 ALA A C 1
1230
+ ATOM 859 O O . ALA A 1 104 ? 44.287 -5.254 -4.369 1.00 24.53 ? 104 ALA A O 1
1231
+ ATOM 860 C CB . ALA A 1 104 ? 42.006 -7.498 -4.684 1.00 21.54 ? 104 ALA A CB 1
1232
+ ATOM 861 N N . ILE A 1 105 ? 45.112 -7.347 -4.315 1.00 23.82 ? 105 ILE A N 1
1233
+ ATOM 862 C CA . ILE A 1 105 ? 46.324 -6.940 -3.572 1.00 24.95 ? 105 ILE A CA 1
1234
+ ATOM 863 C C . ILE A 1 105 ? 47.140 -6.014 -4.428 1.00 25.34 ? 105 ILE A C 1
1235
+ ATOM 864 O O . ILE A 1 105 ? 47.483 -4.900 -3.994 1.00 24.52 ? 105 ILE A O 1
1236
+ ATOM 865 C CB . ILE A 1 105 ? 47.182 -8.106 -3.101 1.00 24.30 ? 105 ILE A CB 1
1237
+ ATOM 866 C CG1 . ILE A 1 105 ? 46.475 -8.918 -2.023 1.00 24.34 ? 105 ILE A CG1 1
1238
+ ATOM 867 C CG2 . ILE A 1 105 ? 48.526 -7.602 -2.540 1.00 26.27 ? 105 ILE A CG2 1
1239
+ ATOM 868 C CD1 . ILE A 1 105 ? 45.980 -8.069 -0.860 1.00 31.24 ? 105 ILE A CD1 1
1240
+ ATOM 869 N N . LYS A 1 106 ? 47.436 -6.445 -5.659 1.00 24.28 ? 106 LYS A N 1
1241
+ ATOM 870 C CA . LYS A 1 106 ? 48.283 -5.653 -6.533 1.00 26.48 ? 106 LYS A CA 1
1242
+ ATOM 871 C C . LYS A 1 106 ? 47.700 -4.299 -6.908 1.00 26.55 ? 106 LYS A C 1
1243
+ ATOM 872 O O . LYS A 1 106 ? 48.442 -3.323 -7.099 1.00 25.95 ? 106 LYS A O 1
1244
+ ATOM 873 C CB . LYS A 1 106 ? 48.605 -6.404 -7.825 1.00 26.04 ? 106 LYS A CB 1
1245
+ ATOM 874 C CG . LYS A 1 106 ? 49.574 -5.635 -8.789 1.00 32.31 ? 106 LYS A CG 1
1246
+ ATOM 875 C CD . LYS A 1 106 ? 50.789 -5.016 -8.030 1.00 38.90 ? 106 LYS A CD 1
1247
+ ATOM 876 C CE . LYS A 1 106 ? 51.905 -4.531 -8.980 1.00 44.81 ? 106 LYS A CE 1
1248
+ ATOM 877 N NZ . LYS A 1 106 ? 51.658 -3.147 -9.518 1.00 45.26 ? 106 LYS A NZ 1
1249
+ ATOM 878 N N . ASN A 1 107 ? 46.383 -4.223 -7.021 1.00 24.80 ? 107 ASN A N 1
1250
+ ATOM 879 C CA . ASN A 1 107 ? 45.773 -2.999 -7.509 1.00 25.37 ? 107 ASN A CA 1
1251
+ ATOM 880 C C . ASN A 1 107 ? 44.954 -2.250 -6.456 1.00 24.57 ? 107 ASN A C 1
1252
+ ATOM 881 O O . ASN A 1 107 ? 44.187 -1.369 -6.812 1.00 25.27 ? 107 ASN A O 1
1253
+ ATOM 882 C CB . ASN A 1 107 ? 44.937 -3.314 -8.769 1.00 24.97 ? 107 ASN A CB 1
1254
+ ATOM 883 C CG . ASN A 1 107 ? 45.815 -3.693 -9.945 1.00 28.81 ? 107 ASN A CG 1
1255
+ ATOM 884 O OD1 . ASN A 1 107 ? 46.487 -2.835 -10.521 1.00 31.05 ? 107 ASN A OD1 1
1256
+ ATOM 885 N ND2 . ASN A 1 107 ? 45.862 -4.989 -10.270 1.00 25.94 ? 107 ASN A ND2 1
1257
+ ATOM 886 N N . GLU A 1 108 ? 45.133 -2.640 -5.208 1.00 25.29 ? 108 GLU A N 1
1258
+ ATOM 887 C CA . GLU A 1 108 ? 44.570 -1.997 -4.015 1.00 27.12 ? 108 GLU A CA 1
1259
+ ATOM 888 C C . GLU A 1 108 ? 43.047 -1.884 -4.107 1.00 26.63 ? 108 GLU A C 1
1260
+ ATOM 889 O O . GLU A 1 108 ? 42.489 -0.787 -4.080 1.00 26.41 ? 108 GLU A O 1
1261
+ ATOM 890 C CB . GLU A 1 108 ? 45.237 -0.627 -3.826 1.00 27.64 ? 108 GLU A CB 1
1262
+ ATOM 891 C CG . GLU A 1 108 ? 46.728 -0.776 -3.457 1.00 34.47 ? 108 GLU A CG 1
1263
+ ATOM 892 C CD . GLU A 1 108 ? 47.606 0.243 -4.193 1.00 43.70 ? 108 GLU A CD 1
1264
+ ATOM 893 O OE1 . GLU A 1 108 ? 47.329 0.564 -5.381 1.00 48.81 ? 108 GLU A OE1 1
1265
+ ATOM 894 O OE2 . GLU A 1 108 ? 48.589 0.722 -3.597 1.00 48.33 ? 108 GLU A OE2 1
1266
+ ATOM 895 N N . LYS A 1 109 ? 42.393 -3.025 -4.274 1.00 25.97 ? 109 LYS A N 1
1267
+ ATOM 896 C CA . LYS A 1 109 ? 40.924 -3.053 -4.478 1.00 25.74 ? 109 LYS A CA 1
1268
+ ATOM 897 C C . LYS A 1 109 ? 40.310 -3.835 -3.309 1.00 25.40 ? 109 LYS A C 1
1269
+ ATOM 898 O O . LYS A 1 109 ? 40.922 -4.748 -2.724 1.00 26.35 ? 109 LYS A O 1
1270
+ ATOM 899 C CB . LYS A 1 109 ? 40.562 -3.746 -5.820 1.00 25.87 ? 109 LYS A CB 1
1271
+ ATOM 900 C CG . LYS A 1 109 ? 41.156 -3.161 -7.129 1.00 25.77 ? 109 LYS A CG 1
1272
+ ATOM 901 C CD . LYS A 1 109 ? 40.622 -1.756 -7.435 1.00 27.38 ? 109 LYS A CD 1
1273
+ ATOM 902 C CE . LYS A 1 109 ? 41.019 -1.275 -8.809 1.00 32.85 ? 109 LYS A CE 1
1274
+ ATOM 903 N NZ . LYS A 1 109 ? 40.070 -0.218 -9.334 1.00 34.98 ? 109 LYS A NZ 1
1275
+ ATOM 904 N N . THR A 1 110 ? 39.069 -3.502 -2.954 1.00 25.20 ? 110 THR A N 1
1276
+ ATOM 905 C CA . THR A 1 110 ? 38.321 -4.353 -2.029 1.00 24.71 ? 110 THR A CA 1
1277
+ ATOM 906 C C . THR A 1 110 ? 37.769 -5.507 -2.844 1.00 21.05 ? 110 THR A C 1
1278
+ ATOM 907 O O . THR A 1 110 ? 37.495 -5.364 -4.009 1.00 22.66 ? 110 THR A O 1
1279
+ ATOM 908 C CB . THR A 1 110 ? 37.216 -3.551 -1.286 1.00 26.90 ? 110 THR A CB 1
1280
+ ATOM 909 O OG1 . THR A 1 110 ? 37.865 -2.867 -0.203 1.00 29.59 ? 110 THR A OG1 1
1281
+ ATOM 910 C CG2 . THR A 1 110 ? 36.142 -4.438 -0.687 1.00 26.06 ? 110 THR A CG2 1
1282
+ ATOM 911 N N . VAL A 1 111 ? 37.728 -6.656 -2.230 1.00 19.86 ? 111 VAL A N 1
1283
+ ATOM 912 C CA . VAL A 1 111 ? 37.117 -7.840 -2.858 1.00 20.01 ? 111 VAL A CA 1
1284
+ ATOM 913 C C . VAL A 1 111 ? 35.688 -7.967 -2.372 1.00 18.60 ? 111 VAL A C 1
1285
+ ATOM 914 O O . VAL A 1 111 ? 35.437 -7.865 -1.177 1.00 22.24 ? 111 VAL A O 1
1286
+ ATOM 915 C CB . VAL A 1 111 ? 37.949 -9.073 -2.543 1.00 18.80 ? 111 VAL A CB 1
1287
+ ATOM 916 C CG1 . VAL A 1 111 ? 37.208 -10.352 -2.892 1.00 19.74 ? 111 VAL A CG1 1
1288
+ ATOM 917 C CG2 . VAL A 1 111 ? 39.239 -9.017 -3.376 1.00 17.66 ? 111 VAL A CG2 1
1289
+ ATOM 918 N N . ILE A 1 112 ? 34.747 -8.179 -3.282 1.00 18.57 ? 112 ILE A N 1
1290
+ ATOM 919 C CA . ILE A 1 112 ? 33.339 -8.369 -2.898 1.00 18.52 ? 112 ILE A CA 1
1291
+ ATOM 920 C C . ILE A 1 112 ? 32.897 -9.802 -3.127 1.00 18.55 ? 112 ILE A C 1
1292
+ ATOM 921 O O . ILE A 1 112 ? 33.256 -10.412 -4.154 1.00 16.13 ? 112 ILE A O 1
1293
+ ATOM 922 C CB . ILE A 1 112 ? 32.487 -7.455 -3.773 1.00 20.08 ? 112 ILE A CB 1
1294
+ ATOM 923 C CG1 . ILE A 1 112 ? 32.869 -5.991 -3.429 1.00 24.36 ? 112 ILE A CG1 1
1295
+ ATOM 924 C CG2 . ILE A 1 112 ? 30.993 -7.728 -3.570 1.00 19.93 ? 112 ILE A CG2 1
1296
+ ATOM 925 C CD1 . ILE A 1 112 ? 32.330 -5.023 -4.383 1.00 29.20 ? 112 ILE A CD1 1
1297
+ ATOM 926 N N . PHE A 1 113 ? 32.153 -10.347 -2.167 1.00 17.87 ? 113 PHE A N 1
1298
+ ATOM 927 C CA . PHE A 1 113 ? 31.415 -11.567 -2.449 1.00 19.70 ? 113 PHE A CA 1
1299
+ ATOM 928 C C . PHE A 1 113 ? 29.960 -11.132 -2.560 1.00 18.97 ? 113 PHE A C 1
1300
+ ATOM 929 O O . PHE A 1 113 ? 29.440 -10.525 -1.632 1.00 20.53 ? 113 PHE A O 1
1301
+ ATOM 930 C CB . PHE A 1 113 ? 31.523 -12.602 -1.312 1.00 19.30 ? 113 PHE A CB 1
1302
+ ATOM 931 C CG . PHE A 1 113 ? 32.920 -13.087 -0.983 1.00 22.72 ? 113 PHE A CG 1
1303
+ ATOM 932 C CD1 . PHE A 1 113 ? 34.030 -12.776 -1.768 1.00 29.32 ? 113 PHE A CD1 1
1304
+ ATOM 933 C CD2 . PHE A 1 113 ? 33.109 -13.906 0.105 1.00 28.74 ? 113 PHE A CD2 1
1305
+ ATOM 934 C CE1 . PHE A 1 113 ? 35.331 -13.249 -1.415 1.00 31.27 ? 113 PHE A CE1 1
1306
+ ATOM 935 C CE2 . PHE A 1 113 ? 34.407 -14.386 0.452 1.00 33.06 ? 113 PHE A CE2 1
1307
+ ATOM 936 C CZ . PHE A 1 113 ? 35.493 -14.045 -0.319 1.00 28.30 ? 113 PHE A CZ 1
1308
+ ATOM 937 N N . HIS A 1 114 ? 29.302 -11.463 -3.655 1.00 18.87 ? 114 HIS A N 1
1309
+ ATOM 938 C CA . HIS A 1 114 ? 27.879 -11.046 -3.826 1.00 19.47 ? 114 HIS A CA 1
1310
+ ATOM 939 C C . HIS A 1 114 ? 27.024 -12.228 -4.279 1.00 20.29 ? 114 HIS A C 1
1311
+ ATOM 940 O O . HIS A 1 114 ? 27.419 -12.941 -5.184 1.00 19.68 ? 114 HIS A O 1
1312
+ ATOM 941 C CB . HIS A 1 114 ? 27.751 -9.913 -4.826 1.00 18.54 ? 114 HIS A CB 1
1313
+ ATOM 942 C CG . HIS A 1 114 ? 26.321 -9.623 -5.200 1.00 21.51 ? 114 HIS A CG 1
1314
+ ATOM 943 N ND1 . HIS A 1 114 ? 25.485 -8.866 -4.400 1.00 22.28 ? 114 HIS A ND1 1
1315
+ ATOM 944 C CD2 . HIS A 1 114 ? 25.552 -10.080 -6.227 1.00 24.58 ? 114 HIS A CD2 1
1316
+ ATOM 945 C CE1 . HIS A 1 114 ? 24.275 -8.824 -4.948 1.00 25.21 ? 114 HIS A CE1 1
1317
+ ATOM 946 N NE2 . HIS A 1 114 ? 24.287 -9.553 -6.054 1.00 23.12 ? 114 HIS A NE2 1
1318
+ ATOM 947 N N . PHE A 1 115 ? 25.865 -12.423 -3.653 1.00 21.66 ? 115 PHE A N 1
1319
+ ATOM 948 C CA . PHE A 1 115 ? 24.967 -13.507 -4.080 1.00 23.84 ? 115 PHE A CA 1
1320
+ ATOM 949 C C . PHE A 1 115 ? 23.561 -13.011 -3.782 1.00 26.10 ? 115 PHE A C 1
1321
+ ATOM 950 O O . PHE A 1 115 ? 23.297 -12.263 -2.814 1.00 25.15 ? 115 PHE A O 1
1322
+ ATOM 951 C CB . PHE A 1 115 ? 25.272 -14.764 -3.262 1.00 23.48 ? 115 PHE A CB 1
1323
+ ATOM 952 C CG . PHE A 1 115 ? 24.740 -16.055 -3.827 1.00 24.61 ? 115 PHE A CG 1
1324
+ ATOM 953 C CD1 . PHE A 1 115 ? 24.378 -16.186 -5.170 1.00 25.68 ? 115 PHE A CD1 1
1325
+ ATOM 954 C CD2 . PHE A 1 115 ? 24.678 -17.175 -3.014 1.00 29.26 ? 115 PHE A CD2 1
1326
+ ATOM 955 C CE1 . PHE A 1 115 ? 23.947 -17.439 -5.685 1.00 28.35 ? 115 PHE A CE1 1
1327
+ ATOM 956 C CE2 . PHE A 1 115 ? 24.250 -18.441 -3.525 1.00 29.08 ? 115 PHE A CE2 1
1328
+ ATOM 957 C CZ . PHE A 1 115 ? 23.882 -18.556 -4.855 1.00 25.79 ? 115 PHE A CZ 1
1329
+ ATOM 958 O OXT . PHE A 1 115 ? 22.655 -13.326 -4.571 1.00 28.30 ? 115 PHE A OXT 1
1330
+ #
1331
+ loop_
1332
+ _pdbx_audit_revision_history.ordinal
1333
+ _pdbx_audit_revision_history.data_content_type
1334
+ _pdbx_audit_revision_history.major_revision
1335
+ _pdbx_audit_revision_history.minor_revision
1336
+ _pdbx_audit_revision_history.revision_date
1337
+ 1 'Structure model' 1 0 2013-04-10
1338
+ 2 'Structure model' 1 1 2013-06-05
1339
+ 3 'Structure model' 1 2 2017-11-22
1340
+ #
mmcifs/3W20_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/3W36_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/3W3W_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/3W3W_B.cif ADDED
@@ -0,0 +1,292 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_3W3W_B
2
+ #
3
+ _pdbx_database_status.entry_id 3W3W_B
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 SAKISKPLHIKT
21
+ _entity_poly.pdbx_seq_one_letter_code_can SAKISKPLHIKT
22
+ _entity_poly.pdbx_strand_id B
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 SER n
31
+ 1 2 ALA n
32
+ 1 3 LYS n
33
+ 1 4 ILE n
34
+ 1 5 SER n
35
+ 1 6 LYS n
36
+ 1 7 PRO n
37
+ 1 8 LEU n
38
+ 1 9 HIS n
39
+ 1 10 ILE n
40
+ 1 11 LYS n
41
+ 1 12 THR n
42
+ #
43
+ _entity.id 1
44
+ _entity.type polymer
45
+ _entity.src_method man
46
+ _entity.pdbx_description SER-ALA-LYS-ILE-SER-LYS-PRO-LEU-HIS-ILE-LYS-THR
47
+ _entity.formula_weight 1326.627
48
+ _entity.pdbx_number_of_molecules 1
49
+ _entity.pdbx_ec ?
50
+ _entity.pdbx_mutation ?
51
+ _entity.pdbx_fragment ?
52
+ _entity.details ?
53
+ #
54
+ loop_
55
+ _pdbx_poly_seq_scheme.asym_id
56
+ _pdbx_poly_seq_scheme.entity_id
57
+ _pdbx_poly_seq_scheme.seq_id
58
+ _pdbx_poly_seq_scheme.mon_id
59
+ _pdbx_poly_seq_scheme.ndb_seq_num
60
+ _pdbx_poly_seq_scheme.pdb_seq_num
61
+ _pdbx_poly_seq_scheme.auth_seq_num
62
+ _pdbx_poly_seq_scheme.pdb_mon_id
63
+ _pdbx_poly_seq_scheme.auth_mon_id
64
+ _pdbx_poly_seq_scheme.pdb_strand_id
65
+ _pdbx_poly_seq_scheme.pdb_ins_code
66
+ _pdbx_poly_seq_scheme.hetero
67
+ A 1 1 SER 1 1 1 SER SER B . n
68
+ A 1 2 ALA 2 2 2 ALA ALA B . n
69
+ A 1 3 LYS 3 3 3 LYS LYS B . n
70
+ A 1 4 ILE 4 4 4 ILE ILE B . n
71
+ A 1 5 SER 5 5 5 SER SER B . n
72
+ A 1 6 LYS 6 6 6 LYS LYS B . n
73
+ A 1 7 PRO 7 7 7 PRO PRO B . n
74
+ A 1 8 LEU 8 8 8 LEU LEU B . n
75
+ A 1 9 HIS 9 9 9 HIS HIS B . n
76
+ A 1 10 ILE 10 10 10 ILE ILE B . n
77
+ A 1 11 LYS 11 11 11 LYS LYS B . n
78
+ A 1 12 THR 12 12 12 THR THR B . n
79
+ #
80
+ loop_
81
+ _chem_comp.id
82
+ _chem_comp.type
83
+ _chem_comp.mon_nstd_flag
84
+ _chem_comp.name
85
+ _chem_comp.pdbx_synonyms
86
+ _chem_comp.formula
87
+ _chem_comp.formula_weight
88
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
89
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
90
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
91
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
92
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
93
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
94
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
95
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
96
+ #
97
+ _struct_asym.id A
98
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
99
+ _struct_asym.pdbx_modified N
100
+ _struct_asym.entity_id 1
101
+ _struct_asym.details ?
102
+ #
103
+ _atom_sites.entry_id 3W3W_B
104
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
105
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
106
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
107
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
108
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
109
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
110
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
111
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
112
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
113
+ _atom_sites.fract_transf_vector[1] 0.00000
114
+ _atom_sites.fract_transf_vector[2] 0.00000
115
+ _atom_sites.fract_transf_vector[3] 0.00000
116
+ #
117
+ loop_
118
+ _pdbx_validate_torsion.id
119
+ _pdbx_validate_torsion.PDB_model_num
120
+ _pdbx_validate_torsion.auth_comp_id
121
+ _pdbx_validate_torsion.auth_asym_id
122
+ _pdbx_validate_torsion.auth_seq_id
123
+ _pdbx_validate_torsion.PDB_ins_code
124
+ _pdbx_validate_torsion.label_alt_id
125
+ _pdbx_validate_torsion.phi
126
+ _pdbx_validate_torsion.psi
127
+ 1 1 ILE B 10 ? ? -112.40 58.26
128
+ 2 1 LYS B 11 ? ? -99.83 -154.31
129
+ #
130
+ _pdbx_validate_peptide_omega.id 1
131
+ _pdbx_validate_peptide_omega.PDB_model_num 1
132
+ _pdbx_validate_peptide_omega.auth_comp_id_1 LYS
133
+ _pdbx_validate_peptide_omega.auth_asym_id_1 B
134
+ _pdbx_validate_peptide_omega.auth_seq_id_1 11
135
+ _pdbx_validate_peptide_omega.PDB_ins_code_1 ?
136
+ _pdbx_validate_peptide_omega.label_alt_id_1 ?
137
+ _pdbx_validate_peptide_omega.auth_comp_id_2 THR
138
+ _pdbx_validate_peptide_omega.auth_asym_id_2 B
139
+ _pdbx_validate_peptide_omega.auth_seq_id_2 12
140
+ _pdbx_validate_peptide_omega.PDB_ins_code_2 ?
141
+ _pdbx_validate_peptide_omega.label_alt_id_2 ?
142
+ _pdbx_validate_peptide_omega.omega 130.76
143
+ #
144
+ loop_
145
+ _pdbx_unobs_or_zero_occ_atoms.id
146
+ _pdbx_unobs_or_zero_occ_atoms.PDB_model_num
147
+ _pdbx_unobs_or_zero_occ_atoms.polymer_flag
148
+ _pdbx_unobs_or_zero_occ_atoms.occupancy_flag
149
+ _pdbx_unobs_or_zero_occ_atoms.auth_asym_id
150
+ _pdbx_unobs_or_zero_occ_atoms.auth_comp_id
151
+ _pdbx_unobs_or_zero_occ_atoms.auth_seq_id
152
+ _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
153
+ _pdbx_unobs_or_zero_occ_atoms.auth_atom_id
154
+ _pdbx_unobs_or_zero_occ_atoms.label_alt_id
155
+ _pdbx_unobs_or_zero_occ_atoms.label_asym_id
156
+ _pdbx_unobs_or_zero_occ_atoms.label_comp_id
157
+ _pdbx_unobs_or_zero_occ_atoms.label_seq_id
158
+ _pdbx_unobs_or_zero_occ_atoms.label_atom_id
159
+ 1 1 Y 1 B LYS 11 ? CG ? A LYS 11 CG
160
+ 2 1 Y 1 B LYS 11 ? CD ? A LYS 11 CD
161
+ 3 1 Y 1 B LYS 11 ? CE ? A LYS 11 CE
162
+ 4 1 Y 1 B LYS 11 ? NZ ? A LYS 11 NZ
163
+ #
164
+ loop_
165
+ _atom_type.symbol
166
+ C
167
+ N
168
+ O
169
+ #
170
+ _entry.id 3W3W_B
171
+ #
172
+ loop_
173
+ _atom_site.group_PDB
174
+ _atom_site.id
175
+ _atom_site.type_symbol
176
+ _atom_site.label_atom_id
177
+ _atom_site.label_alt_id
178
+ _atom_site.label_comp_id
179
+ _atom_site.label_asym_id
180
+ _atom_site.label_entity_id
181
+ _atom_site.label_seq_id
182
+ _atom_site.pdbx_PDB_ins_code
183
+ _atom_site.Cartn_x
184
+ _atom_site.Cartn_y
185
+ _atom_site.Cartn_z
186
+ _atom_site.occupancy
187
+ _atom_site.B_iso_or_equiv
188
+ _atom_site.pdbx_formal_charge
189
+ _atom_site.auth_seq_id
190
+ _atom_site.auth_comp_id
191
+ _atom_site.auth_asym_id
192
+ _atom_site.auth_atom_id
193
+ _atom_site.pdbx_PDB_model_num
194
+ ATOM 1 N N . SER A 1 1 ? 22.297 -17.756 18.357 1.00 60.42 ? 1 SER B N 1
195
+ ATOM 2 C CA . SER A 1 1 ? 22.361 -17.408 16.889 1.00 65.14 ? 1 SER B CA 1
196
+ ATOM 3 C C . SER A 1 1 ? 21.656 -18.410 15.992 1.00 63.16 ? 1 SER B C 1
197
+ ATOM 4 O O . SER A 1 1 ? 22.000 -19.599 15.942 1.00 71.07 ? 1 SER B O 1
198
+ ATOM 5 C CB . SER A 1 1 ? 23.783 -17.265 16.351 1.00 63.02 ? 1 SER B CB 1
199
+ ATOM 6 O OG . SER A 1 1 ? 23.766 -16.411 15.217 1.00 61.79 ? 1 SER B OG 1
200
+ ATOM 7 N N . ALA A 1 2 ? 20.685 -17.911 15.254 1.00 51.58 ? 2 ALA B N 1
201
+ ATOM 8 C CA . ALA A 1 2 ? 19.989 -18.779 14.345 1.00 48.90 ? 2 ALA B CA 1
202
+ ATOM 9 C C . ALA A 1 2 ? 20.394 -18.430 12.892 1.00 43.06 ? 2 ALA B C 1
203
+ ATOM 10 O O . ALA A 1 2 ? 19.585 -18.469 11.997 1.00 34.62 ? 2 ALA B O 1
204
+ ATOM 11 C CB . ALA A 1 2 ? 18.493 -18.687 14.572 1.00 40.99 ? 2 ALA B CB 1
205
+ ATOM 12 N N . LYS A 1 3 ? 21.657 -18.039 12.707 1.00 35.42 ? 3 LYS B N 1
206
+ ATOM 13 C CA . LYS A 1 3 ? 22.294 -18.078 11.408 1.00 38.65 ? 3 LYS B CA 1
207
+ ATOM 14 C C . LYS A 1 3 ? 23.773 -18.571 11.505 1.00 36.49 ? 3 LYS B C 1
208
+ ATOM 15 O O . LYS A 1 3 ? 24.275 -18.794 12.575 1.00 38.85 ? 3 LYS B O 1
209
+ ATOM 16 C CB . LYS A 1 3 ? 22.169 -16.710 10.757 1.00 37.18 ? 3 LYS B CB 1
210
+ ATOM 17 C CG . LYS A 1 3 ? 23.007 -15.670 11.457 1.00 44.70 ? 3 LYS B CG 1
211
+ ATOM 18 C CD . LYS A 1 3 ? 22.937 -14.440 10.599 1.00 45.07 ? 3 LYS B CD 1
212
+ ATOM 19 C CE . LYS A 1 3 ? 23.572 -13.246 11.253 1.00 50.56 ? 3 LYS B CE 1
213
+ ATOM 20 N NZ . LYS A 1 3 ? 23.548 -12.167 10.227 1.00 52.74 ? 3 LYS B NZ 1
214
+ ATOM 21 N N . ILE A 1 4 ? 24.485 -18.698 10.394 1.00 32.44 ? 4 ILE B N 1
215
+ ATOM 22 C CA . ILE A 1 4 ? 25.890 -19.018 10.489 1.00 25.89 ? 4 ILE B CA 1
216
+ ATOM 23 C C . ILE A 1 4 ? 26.649 -17.762 10.911 1.00 27.84 ? 4 ILE B C 1
217
+ ATOM 24 O O . ILE A 1 4 ? 26.410 -16.665 10.386 1.00 26.66 ? 4 ILE B O 1
218
+ ATOM 25 C CB . ILE A 1 4 ? 26.453 -19.527 9.136 1.00 26.11 ? 4 ILE B CB 1
219
+ ATOM 26 C CG1 . ILE A 1 4 ? 25.585 -20.689 8.569 1.00 28.81 ? 4 ILE B CG1 1
220
+ ATOM 27 C CG2 . ILE A 1 4 ? 27.905 -19.910 9.260 1.00 21.12 ? 4 ILE B CG2 1
221
+ ATOM 28 C CD1 . ILE A 1 4 ? 25.304 -21.772 9.580 1.00 24.01 ? 4 ILE B CD1 1
222
+ ATOM 29 N N . SER A 1 5 ? 27.573 -17.939 11.837 1.00 26.91 ? 5 SER B N 1
223
+ ATOM 30 C CA . SER A 1 5 ? 28.498 -16.868 12.239 1.00 30.17 ? 5 SER B CA 1
224
+ ATOM 31 C C . SER A 1 5 ? 29.752 -17.449 12.845 1.00 32.69 ? 5 SER B C 1
225
+ ATOM 32 O O . SER A 1 5 ? 29.797 -18.611 13.210 1.00 33.39 ? 5 SER B O 1
226
+ ATOM 33 C CB . SER A 1 5 ? 27.844 -15.945 13.283 1.00 31.75 ? 5 SER B CB 1
227
+ ATOM 34 O OG . SER A 1 5 ? 27.442 -16.688 14.436 1.00 36.76 ? 5 SER B OG 1
228
+ ATOM 35 N N . LYS A 1 6 ? 30.792 -16.636 12.966 1.00 38.71 ? 6 LYS B N 1
229
+ ATOM 36 C CA . LYS A 1 6 ? 32.052 -17.129 13.469 1.00 32.99 ? 6 LYS B CA 1
230
+ ATOM 37 C C . LYS A 1 6 ? 32.158 -17.046 14.997 1.00 33.51 ? 6 LYS B C 1
231
+ ATOM 38 O O . LYS A 1 6 ? 31.504 -16.247 15.625 1.00 33.39 ? 6 LYS B O 1
232
+ ATOM 39 C CB . LYS A 1 6 ? 33.157 -16.350 12.860 1.00 30.30 ? 6 LYS B CB 1
233
+ ATOM 40 C CG . LYS A 1 6 ? 33.094 -16.290 11.356 1.00 30.58 ? 6 LYS B CG 1
234
+ ATOM 41 C CD . LYS A 1 6 ? 34.413 -15.825 10.812 1.00 28.57 ? 6 LYS B CD 1
235
+ ATOM 42 C CE . LYS A 1 6 ? 34.052 -14.769 9.822 1.00 33.15 ? 6 LYS B CE 1
236
+ ATOM 43 N NZ . LYS A 1 6 ? 34.836 -13.560 9.920 1.00 30.64 ? 6 LYS B NZ 1
237
+ ATOM 44 N N . PRO A 1 7 ? 32.997 -17.899 15.591 1.00 34.19 ? 7 PRO B N 1
238
+ ATOM 45 C CA . PRO A 1 7 ? 33.203 -17.874 17.042 1.00 37.32 ? 7 PRO B CA 1
239
+ ATOM 46 C C . PRO A 1 7 ? 33.831 -16.558 17.447 1.00 32.60 ? 7 PRO B C 1
240
+ ATOM 47 O O . PRO A 1 7 ? 34.531 -15.934 16.630 1.00 31.16 ? 7 PRO B O 1
241
+ ATOM 48 C CB . PRO A 1 7 ? 34.196 -18.999 17.315 1.00 29.98 ? 7 PRO B CB 1
242
+ ATOM 49 C CG . PRO A 1 7 ? 34.278 -19.787 16.039 1.00 34.12 ? 7 PRO B CG 1
243
+ ATOM 50 C CD . PRO A 1 7 ? 33.784 -18.938 14.909 1.00 31.28 ? 7 PRO B CD 1
244
+ ATOM 51 N N . LEU A 1 8 ? 33.580 -16.173 18.688 1.00 36.99 ? 8 LEU B N 1
245
+ ATOM 52 C CA . LEU A 1 8 ? 34.058 -14.909 19.253 1.00 37.25 ? 8 LEU B CA 1
246
+ ATOM 53 C C . LEU A 1 8 ? 35.550 -14.896 19.392 1.00 37.69 ? 8 LEU B C 1
247
+ ATOM 54 O O . LEU A 1 8 ? 36.145 -15.910 19.682 1.00 38.59 ? 8 LEU B O 1
248
+ ATOM 55 C CB . LEU A 1 8 ? 33.401 -14.683 20.615 1.00 43.88 ? 8 LEU B CB 1
249
+ ATOM 56 C CG . LEU A 1 8 ? 32.609 -13.361 20.565 1.00 52.79 ? 8 LEU B CG 1
250
+ ATOM 57 C CD1 . LEU A 1 8 ? 33.555 -12.241 20.105 1.00 55.92 ? 8 LEU B CD1 1
251
+ ATOM 58 C CD2 . LEU A 1 8 ? 31.366 -13.420 19.670 1.00 42.46 ? 8 LEU B CD2 1
252
+ ATOM 59 N N . HIS A 1 9 ? 36.186 -13.750 19.195 1.00 44.64 ? 9 HIS B N 1
253
+ ATOM 60 C CA . HIS A 1 9 ? 37.661 -13.748 19.305 1.00 44.93 ? 9 HIS B CA 1
254
+ ATOM 61 C C . HIS A 1 9 ? 38.165 -14.041 20.713 1.00 46.73 ? 9 HIS B C 1
255
+ ATOM 62 O O . HIS A 1 9 ? 37.497 -13.696 21.691 1.00 44.15 ? 9 HIS B O 1
256
+ ATOM 63 C CB . HIS A 1 9 ? 38.291 -12.506 18.727 1.00 36.70 ? 9 HIS B CB 1
257
+ ATOM 64 C CG . HIS A 1 9 ? 38.058 -12.383 17.257 1.00 39.21 ? 9 HIS B CG 1
258
+ ATOM 65 N ND1 . HIS A 1 9 ? 38.413 -11.267 16.530 1.00 37.24 ? 9 HIS B ND1 1
259
+ ATOM 66 C CD2 . HIS A 1 9 ? 37.442 -13.224 16.385 1.00 36.09 ? 9 HIS B CD2 1
260
+ ATOM 67 C CE1 . HIS A 1 9 ? 38.065 -11.445 15.266 1.00 39.24 ? 9 HIS B CE1 1
261
+ ATOM 68 N NE2 . HIS A 1 9 ? 37.476 -12.627 15.153 1.00 35.75 ? 9 HIS B NE2 1
262
+ ATOM 69 N N . ILE A 1 10 ? 39.308 -14.724 20.809 1.00 40.41 ? 10 ILE B N 1
263
+ ATOM 70 C CA . ILE A 1 10 ? 39.849 -15.100 22.123 1.00 49.15 ? 10 ILE B CA 1
264
+ ATOM 71 C C . ILE A 1 10 ? 41.154 -14.405 22.525 1.00 49.48 ? 10 ILE B C 1
265
+ ATOM 72 O O . ILE A 1 10 ? 42.116 -15.063 22.793 1.00 56.54 ? 10 ILE B O 1
266
+ ATOM 73 C CB . ILE A 1 10 ? 40.095 -16.617 22.267 1.00 50.83 ? 10 ILE B CB 1
267
+ ATOM 74 C CG1 . ILE A 1 10 ? 38.864 -17.436 21.820 1.00 50.93 ? 10 ILE B CG1 1
268
+ ATOM 75 C CG2 . ILE A 1 10 ? 40.486 -16.917 23.718 1.00 50.20 ? 10 ILE B CG2 1
269
+ ATOM 76 C CD1 . ILE A 1 10 ? 38.903 -18.892 22.265 1.00 44.08 ? 10 ILE B CD1 1
270
+ ATOM 77 N N . LYS A 1 11 ? 41.186 -13.078 22.587 1.00 57.70 ? 11 LYS B N 1
271
+ ATOM 78 C CA . LYS A 1 11 ? 42.457 -12.335 22.901 1.00 60.70 ? 11 LYS B CA 1
272
+ ATOM 79 C C . LYS A 1 11 ? 42.571 -11.857 24.416 1.00 69.15 ? 11 LYS B C 1
273
+ ATOM 80 O O . LYS A 1 11 ? 42.067 -12.586 25.301 1.00 88.32 ? 11 LYS B O 1
274
+ ATOM 81 C CB . LYS A 1 11 ? 42.657 -11.215 21.863 1.00 53.62 ? 11 LYS B CB 1
275
+ ATOM 82 N N . THR A 1 12 ? 43.342 -10.782 24.713 1.00 73.61 ? 12 THR B N 1
276
+ ATOM 83 C CA . THR A 1 12 ? 42.879 -9.621 25.567 1.00 85.00 ? 12 THR B CA 1
277
+ ATOM 84 C C . THR A 1 12 ? 43.594 -8.304 25.270 1.00 79.79 ? 12 THR B C 1
278
+ ATOM 85 O O . THR A 1 12 ? 42.945 -7.248 25.281 1.00 77.43 ? 12 THR B O 1
279
+ ATOM 86 C CB . THR A 1 12 ? 42.906 -9.822 27.091 1.00 77.08 ? 12 THR B CB 1
280
+ ATOM 87 O OG1 . THR A 1 12 ? 44.257 -10.005 27.494 1.00 93.64 ? 12 THR B OG1 1
281
+ ATOM 88 C CG2 . THR A 1 12 ? 42.070 -11.004 27.503 1.00 87.04 ? 12 THR B CG2 1
282
+ #
283
+ loop_
284
+ _pdbx_audit_revision_history.ordinal
285
+ _pdbx_audit_revision_history.data_content_type
286
+ _pdbx_audit_revision_history.major_revision
287
+ _pdbx_audit_revision_history.minor_revision
288
+ _pdbx_audit_revision_history.revision_date
289
+ 1 'Structure model' 1 0 2013-04-10
290
+ 2 'Structure model' 1 1 2014-01-29
291
+ 3 'Structure model' 1 2 2017-11-22
292
+ #
mmcifs/3W42_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/3W4S_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/3W4T_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/3W56_A.cif ADDED
@@ -0,0 +1,1316 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_3W56_A
2
+ #
3
+ _pdbx_database_status.entry_id 3W56_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
+ ;HMQLRLYNLRVRGLPSGITDGYVKVFCGSANLGETSVNHNNANPWWTEEFSHFKAQENDILRLEVHDEDTFFDDLLGVCQ
22
+ RQIKVGTHEHDCYLKEGGTLHYMYTLSV
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;HMQLRLYNLRVRGLPSGITDGYVKVFCGSANLGETSVNHNNANPWWTEEFSHFKAQENDILRLEVHDEDTFFDDLLGVCQ
26
+ RQIKVGTHEHDCYLKEGGTLHYMYTLSV
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 HIS n
37
+ 1 2 MET n
38
+ 1 3 GLN n
39
+ 1 4 LEU n
40
+ 1 5 ARG n
41
+ 1 6 LEU n
42
+ 1 7 TYR n
43
+ 1 8 ASN n
44
+ 1 9 LEU n
45
+ 1 10 ARG n
46
+ 1 11 VAL n
47
+ 1 12 ARG n
48
+ 1 13 GLY n
49
+ 1 14 LEU n
50
+ 1 15 PRO n
51
+ 1 16 SER n
52
+ 1 17 GLY n
53
+ 1 18 ILE n
54
+ 1 19 THR n
55
+ 1 20 ASP n
56
+ 1 21 GLY n
57
+ 1 22 TYR n
58
+ 1 23 VAL n
59
+ 1 24 LYS n
60
+ 1 25 VAL n
61
+ 1 26 PHE n
62
+ 1 27 CYS n
63
+ 1 28 GLY n
64
+ 1 29 SER n
65
+ 1 30 ALA n
66
+ 1 31 ASN n
67
+ 1 32 LEU n
68
+ 1 33 GLY n
69
+ 1 34 GLU n
70
+ 1 35 THR n
71
+ 1 36 SER n
72
+ 1 37 VAL n
73
+ 1 38 ASN n
74
+ 1 39 HIS n
75
+ 1 40 ASN n
76
+ 1 41 ASN n
77
+ 1 42 ALA n
78
+ 1 43 ASN n
79
+ 1 44 PRO n
80
+ 1 45 TRP n
81
+ 1 46 TRP n
82
+ 1 47 THR n
83
+ 1 48 GLU n
84
+ 1 49 GLU n
85
+ 1 50 PHE n
86
+ 1 51 SER n
87
+ 1 52 HIS n
88
+ 1 53 PHE n
89
+ 1 54 LYS n
90
+ 1 55 ALA n
91
+ 1 56 GLN n
92
+ 1 57 GLU n
93
+ 1 58 ASN n
94
+ 1 59 ASP n
95
+ 1 60 ILE n
96
+ 1 61 LEU n
97
+ 1 62 ARG n
98
+ 1 63 LEU n
99
+ 1 64 GLU n
100
+ 1 65 VAL n
101
+ 1 66 HIS n
102
+ 1 67 ASP n
103
+ 1 68 GLU n
104
+ 1 69 ASP n
105
+ 1 70 THR n
106
+ 1 71 PHE n
107
+ 1 72 PHE n
108
+ 1 73 ASP n
109
+ 1 74 ASP n
110
+ 1 75 LEU n
111
+ 1 76 LEU n
112
+ 1 77 GLY n
113
+ 1 78 VAL n
114
+ 1 79 CYS n
115
+ 1 80 GLN n
116
+ 1 81 ARG n
117
+ 1 82 GLN n
118
+ 1 83 ILE n
119
+ 1 84 LYS n
120
+ 1 85 VAL n
121
+ 1 86 GLY n
122
+ 1 87 THR n
123
+ 1 88 HIS n
124
+ 1 89 GLU n
125
+ 1 90 HIS n
126
+ 1 91 ASP n
127
+ 1 92 CYS n
128
+ 1 93 TYR n
129
+ 1 94 LEU n
130
+ 1 95 LYS n
131
+ 1 96 GLU n
132
+ 1 97 GLY n
133
+ 1 98 GLY n
134
+ 1 99 THR n
135
+ 1 100 LEU n
136
+ 1 101 HIS n
137
+ 1 102 TYR n
138
+ 1 103 MET n
139
+ 1 104 TYR n
140
+ 1 105 THR n
141
+ 1 106 LEU n
142
+ 1 107 SER n
143
+ 1 108 VAL n
144
+ #
145
+ _entity.id 1
146
+ _entity.type polymer
147
+ _entity.src_method man
148
+ _entity.pdbx_description ?
149
+ _entity.formula_weight 12487.929
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 HIS 1 1 1 HIS HIS A . n
170
+ A 1 2 MET 2 2 2 MET MET A . n
171
+ A 1 3 GLN 3 3 3 GLN GLN A . n
172
+ A 1 4 LEU 4 4 4 LEU LEU A . n
173
+ A 1 5 ARG 5 5 5 ARG ARG A . n
174
+ A 1 6 LEU 6 6 6 LEU LEU A . n
175
+ A 1 7 TYR 7 7 7 TYR TYR A . n
176
+ A 1 8 ASN 8 8 8 ASN ASN A . n
177
+ A 1 9 LEU 9 9 9 LEU LEU A . n
178
+ A 1 10 ARG 10 10 10 ARG ARG A . n
179
+ A 1 11 VAL 11 11 11 VAL VAL A . n
180
+ A 1 12 ARG 12 12 12 ARG ARG A . n
181
+ A 1 13 GLY 13 13 13 GLY GLY A . n
182
+ A 1 14 LEU 14 14 14 LEU LEU A . n
183
+ A 1 15 PRO 15 15 15 PRO PRO A . n
184
+ A 1 16 SER 16 16 16 SER SER A . n
185
+ A 1 17 GLY 17 17 17 GLY GLY A . n
186
+ A 1 18 ILE 18 18 18 ILE ILE A . n
187
+ A 1 19 THR 19 19 19 THR THR A . n
188
+ A 1 20 ASP 20 20 20 ASP ASP A . n
189
+ A 1 21 GLY 21 21 21 GLY GLY A . n
190
+ A 1 22 TYR 22 22 22 TYR TYR A . n
191
+ A 1 23 VAL 23 23 23 VAL VAL A . n
192
+ A 1 24 LYS 24 24 24 LYS LYS A . n
193
+ A 1 25 VAL 25 25 25 VAL VAL A . n
194
+ A 1 26 PHE 26 26 26 PHE PHE A . n
195
+ A 1 27 CYS 27 27 27 CYS CYS A . n
196
+ A 1 28 GLY 28 28 28 GLY GLY A . n
197
+ A 1 29 SER 29 29 29 SER SER A . n
198
+ A 1 30 ALA 30 30 30 ALA ALA A . n
199
+ A 1 31 ASN 31 31 31 ASN ASN A . n
200
+ A 1 32 LEU 32 32 32 LEU LEU A . n
201
+ A 1 33 GLY 33 33 33 GLY GLY A . n
202
+ A 1 34 GLU 34 34 34 GLU GLU A . n
203
+ A 1 35 THR 35 35 35 THR THR A . n
204
+ A 1 36 SER 36 36 36 SER SER A . n
205
+ A 1 37 VAL 37 37 37 VAL VAL A . n
206
+ A 1 38 ASN 38 38 38 ASN ASN A . n
207
+ A 1 39 HIS 39 39 39 HIS HIS A . n
208
+ A 1 40 ASN 40 40 40 ASN ASN A . n
209
+ A 1 41 ASN 41 41 41 ASN ASN A . n
210
+ A 1 42 ALA 42 42 42 ALA ALA A . n
211
+ A 1 43 ASN 43 43 43 ASN ASN A . n
212
+ A 1 44 PRO 44 44 44 PRO PRO A . n
213
+ A 1 45 TRP 45 45 45 TRP TRP A . n
214
+ A 1 46 TRP 46 46 46 TRP TRP A . n
215
+ A 1 47 THR 47 47 47 THR THR A . n
216
+ A 1 48 GLU 48 48 48 GLU GLU A . n
217
+ A 1 49 GLU 49 49 49 GLU GLU A . n
218
+ A 1 50 PHE 50 50 50 PHE PHE A . n
219
+ A 1 51 SER 51 51 51 SER SER A . n
220
+ A 1 52 HIS 52 52 52 HIS HIS A . n
221
+ A 1 53 PHE 53 53 53 PHE PHE A . n
222
+ A 1 54 LYS 54 54 54 LYS LYS A . n
223
+ A 1 55 ALA 55 55 55 ALA ALA A . n
224
+ A 1 56 GLN 56 56 56 GLN GLN A . n
225
+ A 1 57 GLU 57 57 57 GLU GLU A . n
226
+ A 1 58 ASN 58 58 58 ASN ASN A . n
227
+ A 1 59 ASP 59 59 59 ASP ASP A . n
228
+ A 1 60 ILE 60 60 60 ILE ILE A . n
229
+ A 1 61 LEU 61 61 61 LEU LEU A . n
230
+ A 1 62 ARG 62 62 62 ARG ARG A . n
231
+ A 1 63 LEU 63 63 63 LEU LEU A . n
232
+ A 1 64 GLU 64 64 64 GLU GLU A . n
233
+ A 1 65 VAL 65 65 65 VAL VAL A . n
234
+ A 1 66 HIS 66 66 66 HIS HIS A . n
235
+ A 1 67 ASP 67 67 67 ASP ASP A . n
236
+ A 1 68 GLU 68 68 68 GLU GLU A . n
237
+ A 1 69 ASP 69 69 69 ASP ASP A . n
238
+ A 1 70 THR 70 70 70 THR THR A . n
239
+ A 1 71 PHE 71 71 71 PHE PHE A . n
240
+ A 1 72 PHE 72 72 72 PHE PHE A . n
241
+ A 1 73 ASP 73 73 73 ASP ASP A . n
242
+ A 1 74 ASP 74 74 74 ASP ASP A . n
243
+ A 1 75 LEU 75 75 75 LEU LEU A . n
244
+ A 1 76 LEU 76 76 76 LEU LEU A . n
245
+ A 1 77 GLY 77 77 77 GLY GLY A . n
246
+ A 1 78 VAL 78 78 78 VAL VAL A . n
247
+ A 1 79 CYS 79 79 79 CYS CYS A . n
248
+ A 1 80 GLN 80 80 80 GLN GLN A . n
249
+ A 1 81 ARG 81 81 81 ARG ARG A . n
250
+ A 1 82 GLN 82 82 82 GLN GLN A . n
251
+ A 1 83 ILE 83 83 83 ILE ILE A . n
252
+ A 1 84 LYS 84 84 84 LYS LYS A . n
253
+ A 1 85 VAL 85 85 85 VAL VAL A . n
254
+ A 1 86 GLY 86 86 86 GLY GLY A . n
255
+ A 1 87 THR 87 87 87 THR THR A . n
256
+ A 1 88 HIS 88 88 88 HIS HIS A . n
257
+ A 1 89 GLU 89 89 89 GLU GLU A . n
258
+ A 1 90 HIS 90 90 90 HIS HIS A . n
259
+ A 1 91 ASP 91 91 91 ASP ASP A . n
260
+ A 1 92 CYS 92 92 92 CYS CYS A . n
261
+ A 1 93 TYR 93 93 93 TYR TYR A . n
262
+ A 1 94 LEU 94 94 94 LEU LEU A . n
263
+ A 1 95 LYS 95 95 95 LYS LYS A . n
264
+ A 1 96 GLU 96 96 96 GLU GLU A . n
265
+ A 1 97 GLY 97 97 97 GLY GLY A . n
266
+ A 1 98 GLY 98 98 98 GLY GLY A . n
267
+ A 1 99 THR 99 99 99 THR THR A . n
268
+ A 1 100 LEU 100 100 100 LEU LEU A . n
269
+ A 1 101 HIS 101 101 101 HIS HIS A . n
270
+ A 1 102 TYR 102 102 102 TYR TYR A . n
271
+ A 1 103 MET 103 103 103 MET MET A . n
272
+ A 1 104 TYR 104 104 104 TYR TYR A . n
273
+ A 1 105 THR 105 105 105 THR THR A . n
274
+ A 1 106 LEU 106 106 106 LEU LEU A . n
275
+ A 1 107 SER 107 107 107 SER SER A . n
276
+ A 1 108 VAL 108 108 108 VAL VAL 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
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
301
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
302
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
303
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
304
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
305
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
306
+ #
307
+ _struct_asym.id A
308
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
309
+ _struct_asym.pdbx_modified N
310
+ _struct_asym.entity_id 1
311
+ _struct_asym.details ?
312
+ #
313
+ _atom_sites.entry_id 3W56_A
314
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
315
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
316
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
317
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
318
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
319
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
320
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
321
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
322
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
323
+ _atom_sites.fract_transf_vector[1] 0.00000
324
+ _atom_sites.fract_transf_vector[2] 0.00000
325
+ _atom_sites.fract_transf_vector[3] 0.00000
326
+ #
327
+ _pdbx_validate_close_contact.id 1
328
+ _pdbx_validate_close_contact.PDB_model_num 1
329
+ _pdbx_validate_close_contact.auth_atom_id_1 SG
330
+ _pdbx_validate_close_contact.auth_asym_id_1 A
331
+ _pdbx_validate_close_contact.auth_comp_id_1 CYS
332
+ _pdbx_validate_close_contact.auth_seq_id_1 79
333
+ _pdbx_validate_close_contact.PDB_ins_code_1 ?
334
+ _pdbx_validate_close_contact.label_alt_id_1 ?
335
+ _pdbx_validate_close_contact.auth_atom_id_2 SG
336
+ _pdbx_validate_close_contact.auth_asym_id_2 A
337
+ _pdbx_validate_close_contact.auth_comp_id_2 CYS
338
+ _pdbx_validate_close_contact.auth_seq_id_2 92
339
+ _pdbx_validate_close_contact.PDB_ins_code_2 ?
340
+ _pdbx_validate_close_contact.label_alt_id_2 ?
341
+ _pdbx_validate_close_contact.dist 1.99
342
+ #
343
+ loop_
344
+ _pdbx_validate_rmsd_angle.id
345
+ _pdbx_validate_rmsd_angle.PDB_model_num
346
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
347
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
348
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
349
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
350
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
351
+ _pdbx_validate_rmsd_angle.label_alt_id_1
352
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
353
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
354
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
355
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
356
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
357
+ _pdbx_validate_rmsd_angle.label_alt_id_2
358
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
359
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
360
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
361
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
362
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
363
+ _pdbx_validate_rmsd_angle.label_alt_id_3
364
+ _pdbx_validate_rmsd_angle.angle_value
365
+ _pdbx_validate_rmsd_angle.angle_target_value
366
+ _pdbx_validate_rmsd_angle.angle_deviation
367
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
368
+ _pdbx_validate_rmsd_angle.linker_flag
369
+ 1 1 NE A ARG 10 ? ? CZ A ARG 10 ? ? NH1 A ARG 10 ? ? 126.01 120.30 5.71 0.50 N
370
+ 2 1 NE A ARG 10 ? ? CZ A ARG 10 ? ? NH2 A ARG 10 ? ? 115.93 120.30 -4.37 0.50 N
371
+ #
372
+ _pdbx_validate_torsion.id 1
373
+ _pdbx_validate_torsion.PDB_model_num 1
374
+ _pdbx_validate_torsion.auth_comp_id ASP
375
+ _pdbx_validate_torsion.auth_asym_id A
376
+ _pdbx_validate_torsion.auth_seq_id 20
377
+ _pdbx_validate_torsion.PDB_ins_code ?
378
+ _pdbx_validate_torsion.label_alt_id ?
379
+ _pdbx_validate_torsion.phi -104.33
380
+ _pdbx_validate_torsion.psi 78.52
381
+ #
382
+ _pdbx_validate_polymer_linkage.id 1
383
+ _pdbx_validate_polymer_linkage.PDB_model_num 1
384
+ _pdbx_validate_polymer_linkage.auth_atom_id_1 C
385
+ _pdbx_validate_polymer_linkage.auth_asym_id_1 A
386
+ _pdbx_validate_polymer_linkage.auth_comp_id_1 SER
387
+ _pdbx_validate_polymer_linkage.auth_seq_id_1 16
388
+ _pdbx_validate_polymer_linkage.PDB_ins_code_1 ?
389
+ _pdbx_validate_polymer_linkage.label_alt_id_1 ?
390
+ _pdbx_validate_polymer_linkage.auth_atom_id_2 N
391
+ _pdbx_validate_polymer_linkage.auth_asym_id_2 A
392
+ _pdbx_validate_polymer_linkage.auth_comp_id_2 GLY
393
+ _pdbx_validate_polymer_linkage.auth_seq_id_2 17
394
+ _pdbx_validate_polymer_linkage.PDB_ins_code_2 ?
395
+ _pdbx_validate_polymer_linkage.label_alt_id_2 ?
396
+ _pdbx_validate_polymer_linkage.dist 6.40
397
+ #
398
+ loop_
399
+ _atom_type.symbol
400
+ C
401
+ N
402
+ O
403
+ S
404
+ #
405
+ _entry.id 3W56_A
406
+ #
407
+ loop_
408
+ _atom_site.group_PDB
409
+ _atom_site.id
410
+ _atom_site.type_symbol
411
+ _atom_site.label_atom_id
412
+ _atom_site.label_alt_id
413
+ _atom_site.label_comp_id
414
+ _atom_site.label_asym_id
415
+ _atom_site.label_entity_id
416
+ _atom_site.label_seq_id
417
+ _atom_site.pdbx_PDB_ins_code
418
+ _atom_site.Cartn_x
419
+ _atom_site.Cartn_y
420
+ _atom_site.Cartn_z
421
+ _atom_site.occupancy
422
+ _atom_site.B_iso_or_equiv
423
+ _atom_site.pdbx_formal_charge
424
+ _atom_site.auth_seq_id
425
+ _atom_site.auth_comp_id
426
+ _atom_site.auth_asym_id
427
+ _atom_site.auth_atom_id
428
+ _atom_site.pdbx_PDB_model_num
429
+ ATOM 1 N N . HIS A 1 1 ? 18.980 -19.324 18.667 1.00 30.12 ? 1 HIS A N 1
430
+ ATOM 2 C CA . HIS A 1 1 ? 19.139 -17.913 18.293 1.00 28.99 ? 1 HIS A CA 1
431
+ ATOM 3 C C . HIS A 1 1 ? 19.033 -17.792 16.761 1.00 33.88 ? 1 HIS A C 1
432
+ ATOM 4 O O . HIS A 1 1 ? 19.577 -18.608 16.002 1.00 35.58 ? 1 HIS A O 1
433
+ ATOM 5 C CB . HIS A 1 1 ? 20.507 -17.364 18.728 1.00 25.70 ? 1 HIS A CB 1
434
+ ATOM 6 C CG . HIS A 1 1 ? 20.641 -17.037 20.187 1.00 28.16 ? 1 HIS A CG 1
435
+ ATOM 7 N ND1 . HIS A 1 1 ? 21.819 -16.552 20.718 1.00 35.23 ? 1 HIS A ND1 1
436
+ ATOM 8 C CD2 . HIS A 1 1 ? 19.764 -17.109 21.219 1.00 38.29 ? 1 HIS A CD2 1
437
+ ATOM 9 C CE1 . HIS A 1 1 ? 21.667 -16.355 22.018 1.00 40.07 ? 1 HIS A CE1 1
438
+ ATOM 10 N NE2 . HIS A 1 1 ? 20.428 -16.682 22.347 1.00 39.73 ? 1 HIS A NE2 1
439
+ ATOM 11 N N . MET A 1 2 ? 18.340 -16.760 16.306 1.00 21.85 ? 2 MET A N 1
440
+ ATOM 12 C CA . MET A 1 2 ? 18.185 -16.526 14.872 1.00 26.65 ? 2 MET A CA 1
441
+ ATOM 13 C C . MET A 1 2 ? 18.696 -15.123 14.571 1.00 22.82 ? 2 MET A C 1
442
+ ATOM 14 O O . MET A 1 2 ? 19.025 -14.346 15.502 1.00 21.82 ? 2 MET A O 1
443
+ ATOM 15 C CB . MET A 1 2 ? 16.714 -16.683 14.463 1.00 31.36 ? 2 MET A CB 1
444
+ ATOM 16 C CG . MET A 1 2 ? 16.210 -18.076 14.641 1.00 24.39 ? 2 MET A CG 1
445
+ ATOM 17 S SD . MET A 1 2 ? 14.486 -18.351 14.261 1.00 32.98 ? 2 MET A SD 1
446
+ ATOM 18 C CE . MET A 1 2 ? 14.677 -18.648 12.483 1.00 29.11 ? 2 MET A CE 1
447
+ ATOM 19 N N . GLN A 1 3 ? 18.777 -14.794 13.272 1.00 24.89 ? 3 GLN A N 1
448
+ ATOM 20 C CA . GLN A 1 3 ? 19.158 -13.451 12.871 1.00 18.31 ? 3 GLN A CA 1
449
+ ATOM 21 C C . GLN A 1 3 ? 17.905 -12.735 12.377 1.00 16.03 ? 3 GLN A C 1
450
+ ATOM 22 O O . GLN A 1 3 ? 17.195 -13.273 11.525 1.00 22.80 ? 3 GLN A O 1
451
+ ATOM 23 C CB . GLN A 1 3 ? 20.227 -13.453 11.769 1.00 21.63 ? 3 GLN A CB 1
452
+ ATOM 24 C CG . GLN A 1 3 ? 20.360 -12.059 11.146 1.00 26.08 ? 3 GLN A CG 1
453
+ ATOM 25 C CD . GLN A 1 3 ? 21.311 -11.992 9.954 1.00 35.76 ? 3 GLN A CD 1
454
+ ATOM 26 O OE1 . GLN A 1 3 ? 21.500 -12.974 9.214 1.00 36.31 ? 3 GLN A OE1 1
455
+ ATOM 27 N NE2 . GLN A 1 3 ? 21.895 -10.823 9.752 1.00 29.54 ? 3 GLN A NE2 1
456
+ ATOM 28 N N . LEU A 1 4 ? 17.622 -11.599 12.993 1.00 16.09 ? 4 LEU A N 1
457
+ ATOM 29 C CA . LEU A 1 4 ? 16.632 -10.684 12.439 1.00 16.82 ? 4 LEU A CA 1
458
+ ATOM 30 C C . LEU A 1 4 ? 17.372 -9.600 11.653 1.00 18.53 ? 4 LEU A C 1
459
+ ATOM 31 O O . LEU A 1 4 ? 18.298 -8.968 12.169 1.00 19.57 ? 4 LEU A O 1
460
+ ATOM 32 C CB . LEU A 1 4 ? 15.796 -10.050 13.562 1.00 20.40 ? 4 LEU A CB 1
461
+ ATOM 33 C CG . LEU A 1 4 ? 14.813 -9.007 13.035 1.00 15.78 ? 4 LEU A CG 1
462
+ ATOM 34 C CD1 . LEU A 1 4 ? 13.691 -9.707 12.243 1.00 18.53 ? 4 LEU A CD1 1
463
+ ATOM 35 C CD2 . LEU A 1 4 ? 14.258 -8.194 14.255 1.00 25.19 ? 4 LEU A CD2 1
464
+ ATOM 36 N N . ARG A 1 5 ? 16.933 -9.375 10.400 1.00 11.92 ? 5 ARG A N 1
465
+ ATOM 37 C CA . ARG A 1 5 ? 17.358 -8.220 9.610 1.00 15.93 ? 5 ARG A CA 1
466
+ ATOM 38 C C . ARG A 1 5 ? 16.134 -7.343 9.269 1.00 7.22 ? 5 ARG A C 1
467
+ ATOM 39 O O . ARG A 1 5 ? 15.127 -7.834 8.741 1.00 12.20 ? 5 ARG A O 1
468
+ ATOM 40 C CB . ARG A 1 5 ? 18.111 -8.660 8.363 1.00 13.94 ? 5 ARG A CB 1
469
+ ATOM 41 C CG . ARG A 1 5 ? 18.540 -7.476 7.525 1.00 10.38 ? 5 ARG A CG 1
470
+ ATOM 42 C CD . ARG A 1 5 ? 18.898 -8.016 6.172 1.00 12.76 ? 5 ARG A CD 1
471
+ ATOM 43 N NE . ARG A 1 5 ? 19.204 -6.923 5.278 1.00 18.26 ? 5 ARG A NE 1
472
+ ATOM 44 C CZ . ARG A 1 5 ? 18.995 -7.003 3.990 1.00 9.29 ? 5 ARG A CZ 1
473
+ ATOM 45 N NH1 . ARG A 1 5 ? 19.325 -5.971 3.221 1.00 17.03 ? 5 ARG A NH1 1
474
+ ATOM 46 N NH2 . ARG A 1 5 ? 18.466 -8.132 3.493 1.00 12.52 ? 5 ARG A NH2 1
475
+ ATOM 47 N N . LEU A 1 6 ? 16.200 -6.100 9.732 1.00 10.24 ? 6 LEU A N 1
476
+ ATOM 48 C CA . LEU A 1 6 ? 15.115 -5.139 9.473 1.00 9.80 ? 6 LEU A CA 1
477
+ ATOM 49 C C . LEU A 1 6 ? 15.684 -4.181 8.443 1.00 10.11 ? 6 LEU A C 1
478
+ ATOM 50 O O . LEU A 1 6 ? 16.842 -3.708 8.585 1.00 13.36 ? 6 LEU A O 1
479
+ ATOM 51 C CB . LEU A 1 6 ? 14.758 -4.421 10.721 1.00 10.70 ? 6 LEU A CB 1
480
+ ATOM 52 C CG . LEU A 1 6 ? 13.780 -3.236 10.530 1.00 9.51 ? 6 LEU A CG 1
481
+ ATOM 53 C CD1 . LEU A 1 6 ? 12.382 -3.769 10.158 1.00 10.91 ? 6 LEU A CD1 1
482
+ ATOM 54 C CD2 . LEU A 1 6 ? 13.746 -2.491 11.780 1.00 13.47 ? 6 LEU A CD2 1
483
+ ATOM 55 N N . TYR A 1 7 ? 14.944 -3.883 7.382 1.00 10.27 ? 7 TYR A N 1
484
+ ATOM 56 C CA . TYR A 1 7 ? 15.516 -3.117 6.270 1.00 8.85 ? 7 TYR A CA 1
485
+ ATOM 57 C C . TYR A 1 7 ? 14.445 -2.540 5.419 1.00 10.45 ? 7 TYR A C 1
486
+ ATOM 58 O O . TYR A 1 7 ? 13.236 -2.810 5.674 1.00 8.76 ? 7 TYR A O 1
487
+ ATOM 59 C CB . TYR A 1 7 ? 16.497 -3.966 5.462 1.00 9.19 ? 7 TYR A CB 1
488
+ ATOM 60 C CG . TYR A 1 7 ? 15.929 -5.263 4.865 1.00 9.71 ? 7 TYR A CG 1
489
+ ATOM 61 C CD1 . TYR A 1 7 ? 15.745 -5.418 3.470 1.00 8.92 ? 7 TYR A CD1 1
490
+ ATOM 62 C CD2 . TYR A 1 7 ? 15.649 -6.325 5.667 1.00 6.55 ? 7 TYR A CD2 1
491
+ ATOM 63 C CE1 . TYR A 1 7 ? 15.232 -6.647 2.901 1.00 11.79 ? 7 TYR A CE1 1
492
+ ATOM 64 C CE2 . TYR A 1 7 ? 15.153 -7.559 5.167 1.00 8.13 ? 7 TYR A CE2 1
493
+ ATOM 65 C CZ . TYR A 1 7 ? 14.933 -7.716 3.775 1.00 11.97 ? 7 TYR A CZ 1
494
+ ATOM 66 O OH . TYR A 1 7 ? 14.502 -8.905 3.289 1.00 16.22 ? 7 TYR A OH 1
495
+ ATOM 67 N N . ASN A 1 8 ? 14.856 -1.715 4.464 1.00 7.90 ? 8 ASN A N 1
496
+ ATOM 68 C CA . ASN A 1 8 ? 13.912 -1.051 3.526 1.00 8.49 ? 8 ASN A CA 1
497
+ ATOM 69 C C . ASN A 1 8 ? 12.857 -0.225 4.233 1.00 8.34 ? 8 ASN A C 1
498
+ ATOM 70 O O . ASN A 1 8 ? 11.695 -0.170 3.784 1.00 9.42 ? 8 ASN A O 1
499
+ ATOM 71 C CB . ASN A 1 8 ? 13.299 -2.032 2.470 1.00 8.61 ? 8 ASN A CB 1
500
+ ATOM 72 C CG . ASN A 1 8 ? 14.388 -2.638 1.562 1.00 13.33 ? 8 ASN A CG 1
501
+ ATOM 73 O OD1 . ASN A 1 8 ? 15.591 -2.209 1.635 1.00 17.79 ? 8 ASN A OD1 1
502
+ ATOM 74 N ND2 . ASN A 1 8 ? 14.044 -3.680 0.832 1.00 21.05 ? 8 ASN A ND2 1
503
+ ATOM 75 N N . LEU A 1 9 ? 13.239 0.480 5.302 1.00 9.63 ? 9 LEU A N 1
504
+ ATOM 76 C CA . LEU A 1 9 ? 12.392 1.442 5.953 1.00 8.33 ? 9 LEU A CA 1
505
+ ATOM 77 C C . LEU A 1 9 ? 12.101 2.672 5.097 1.00 9.76 ? 9 LEU A C 1
506
+ ATOM 78 O O . LEU A 1 9 ? 12.980 3.338 4.551 1.00 7.61 ? 9 LEU A O 1
507
+ ATOM 79 C CB . LEU A 1 9 ? 13.012 1.861 7.289 1.00 5.32 ? 9 LEU A CB 1
508
+ ATOM 80 C CG . LEU A 1 9 ? 13.286 0.748 8.247 1.00 8.03 ? 9 LEU A CG 1
509
+ ATOM 81 C CD1 . LEU A 1 9 ? 14.308 1.399 9.281 1.00 9.67 ? 9 LEU A CD1 1
510
+ ATOM 82 C CD2 . LEU A 1 9 ? 12.023 0.471 8.905 1.00 12.29 ? 9 LEU A CD2 1
511
+ ATOM 83 N N . ARG A 1 10 ? 10.818 2.973 4.931 1.00 8.68 ? 10 ARG A N 1
512
+ ATOM 84 C CA . ARG A 1 10 ? 10.510 4.236 4.262 1.00 10.69 ? 10 ARG A CA 1
513
+ ATOM 85 C C . ARG A 1 10 ? 9.122 4.639 4.730 1.00 10.79 ? 10 ARG A C 1
514
+ ATOM 86 O O . ARG A 1 10 ? 8.303 3.778 5.103 1.00 13.82 ? 10 ARG A O 1
515
+ ATOM 87 C CB . ARG A 1 10 ? 10.527 4.046 2.749 1.00 11.54 ? 10 ARG A CB 1
516
+ ATOM 88 C CG . ARG A 1 10 ? 9.532 2.994 2.329 1.00 10.64 ? 10 ARG A CG 1
517
+ ATOM 89 C CD . ARG A 1 10 ? 10.128 2.170 1.301 1.00 16.19 ? 10 ARG A CD 1
518
+ ATOM 90 N NE . ARG A 1 10 ? 9.116 1.296 0.727 1.00 14.95 ? 10 ARG A NE 1
519
+ ATOM 91 C CZ . ARG A 1 10 ? 8.948 0.014 1.002 1.00 11.23 ? 10 ARG A CZ 1
520
+ ATOM 92 N NH1 . ARG A 1 10 ? 9.616 -0.696 1.957 1.00 10.06 ? 10 ARG A NH1 1
521
+ ATOM 93 N NH2 . ARG A 1 10 ? 7.981 -0.604 0.328 1.00 16.66 ? 10 ARG A NH2 1
522
+ ATOM 94 N N . VAL A 1 11 ? 8.869 5.937 4.712 1.00 8.64 ? 11 VAL A N 1
523
+ ATOM 95 C CA . VAL A 1 11 ? 7.528 6.382 5.098 1.00 7.38 ? 11 VAL A CA 1
524
+ ATOM 96 C C . VAL A 1 11 ? 6.985 7.221 4.006 1.00 11.06 ? 11 VAL A C 1
525
+ ATOM 97 O O . VAL A 1 11 ? 7.670 7.996 3.380 1.00 11.39 ? 11 VAL A O 1
526
+ ATOM 98 C CB . VAL A 1 11 ? 7.574 7.287 6.316 1.00 11.12 ? 11 VAL A CB 1
527
+ ATOM 99 C CG1 . VAL A 1 11 ? 6.195 7.865 6.618 1.00 15.06 ? 11 VAL A CG1 1
528
+ ATOM 100 C CG2 . VAL A 1 11 ? 8.055 6.502 7.562 1.00 13.89 ? 11 VAL A CG2 1
529
+ ATOM 101 N N . ARG A 1 12 ? 5.669 7.111 3.847 1.00 10.50 ? 12 ARG A N 1
530
+ ATOM 102 C CA . ARG A 1 12 ? 5.084 8.045 2.956 1.00 16.03 ? 12 ARG A CA 1
531
+ ATOM 103 C C . ARG A 1 12 ? 4.056 8.777 3.785 1.00 19.60 ? 12 ARG A C 1
532
+ ATOM 104 O O . ARG A 1 12 ? 3.326 8.150 4.571 1.00 21.21 ? 12 ARG A O 1
533
+ ATOM 105 C CB . ARG A 1 12 ? 4.430 7.305 1.833 1.00 19.98 ? 12 ARG A CB 1
534
+ ATOM 106 C CG . ARG A 1 12 ? 3.262 6.536 2.267 1.00 23.08 ? 12 ARG A CG 1
535
+ ATOM 107 C CD . ARG A 1 12 ? 2.117 6.991 1.341 1.00 29.50 ? 12 ARG A CD 1
536
+ ATOM 108 N NE . ARG A 1 12 ? 2.109 6.251 0.088 1.00 40.27 ? 12 ARG A NE 1
537
+ ATOM 109 C CZ . ARG A 1 12 ? 1.974 4.925 0.017 1.00 45.73 ? 12 ARG A CZ 1
538
+ ATOM 110 N NH1 . ARG A 1 12 ? 1.942 4.322 -1.167 1.00 38.61 ? 12 ARG A NH1 1
539
+ ATOM 111 N NH2 . ARG A 1 12 ? 1.853 4.205 1.141 1.00 27.79 ? 12 ARG A NH2 1
540
+ ATOM 112 N N . GLY A 1 13 ? 4.073 10.099 3.659 1.00 18.75 ? 13 GLY A N 1
541
+ ATOM 113 C CA . GLY A 1 13 ? 2.937 10.913 4.100 1.00 21.92 ? 13 GLY A CA 1
542
+ ATOM 114 C C . GLY A 1 13 ? 3.084 11.440 5.520 1.00 30.48 ? 13 GLY A C 1
543
+ ATOM 115 O O . GLY A 1 13 ? 2.072 11.662 6.214 1.00 29.10 ? 13 GLY A O 1
544
+ ATOM 116 N N . LEU A 1 14 ? 4.336 11.648 5.952 1.00 20.83 ? 14 LEU A N 1
545
+ ATOM 117 C CA . LEU A 1 14 ? 4.645 12.196 7.284 1.00 26.20 ? 14 LEU A CA 1
546
+ ATOM 118 C C . LEU A 1 14 ? 4.058 13.621 7.428 1.00 41.16 ? 14 LEU A C 1
547
+ ATOM 119 O O . LEU A 1 14 ? 3.947 14.339 6.411 1.00 28.92 ? 14 LEU A O 1
548
+ ATOM 120 C CB . LEU A 1 14 ? 6.184 12.215 7.453 1.00 22.34 ? 14 LEU A CB 1
549
+ ATOM 121 C CG . LEU A 1 14 ? 6.903 11.504 8.609 1.00 32.01 ? 14 LEU A CG 1
550
+ ATOM 122 C CD1 . LEU A 1 14 ? 6.089 10.397 9.273 1.00 29.84 ? 14 LEU A CD1 1
551
+ ATOM 123 C CD2 . LEU A 1 14 ? 8.239 10.964 8.134 1.00 19.57 ? 14 LEU A CD2 1
552
+ ATOM 124 N N . PRO A 1 15 ? 3.680 14.042 8.676 1.00 34.12 ? 15 PRO A N 1
553
+ ATOM 125 C CA . PRO A 1 15 ? 3.099 15.380 8.920 1.00 35.39 ? 15 PRO A CA 1
554
+ ATOM 126 C C . PRO A 1 15 ? 3.864 16.546 8.286 1.00 36.31 ? 15 PRO A C 1
555
+ ATOM 127 O O . PRO A 1 15 ? 5.108 16.503 8.180 1.00 35.99 ? 15 PRO A O 1
556
+ ATOM 128 C CB . PRO A 1 15 ? 3.128 15.490 10.446 1.00 32.46 ? 15 PRO A CB 1
557
+ ATOM 129 C CG . PRO A 1 15 ? 2.860 14.090 10.894 1.00 29.06 ? 15 PRO A CG 1
558
+ ATOM 130 C CD . PRO A 1 15 ? 3.631 13.209 9.899 1.00 31.52 ? 15 PRO A CD 1
559
+ ATOM 131 N N . SER A 1 16 ? 3.124 17.590 7.897 1.00 52.21 ? 16 SER A N 1
560
+ ATOM 132 C CA . SER A 1 16 ? 3.662 18.655 7.049 1.00 57.85 ? 16 SER A CA 1
561
+ ATOM 133 C C . SER A 1 16 ? 2.745 19.886 6.997 1.00 65.33 ? 16 SER A C 1
562
+ ATOM 134 O O . SER A 1 16 ? 2.737 20.730 7.902 1.00 61.28 ? 16 SER A O 1
563
+ ATOM 135 C CB . SER A 1 16 ? 3.882 18.106 5.630 1.00 65.63 ? 16 SER A CB 1
564
+ ATOM 136 O OG . SER A 1 16 ? 2.862 17.169 5.294 1.00 71.60 ? 16 SER A OG 1
565
+ ATOM 137 N N . GLY A 1 17 ? 7.052 22.555 10.904 1.00 70.40 ? 17 GLY A N 1
566
+ ATOM 138 C CA . GLY A 1 17 ? 7.219 22.753 9.469 1.00 70.19 ? 17 GLY A CA 1
567
+ ATOM 139 C C . GLY A 1 17 ? 6.972 21.496 8.636 1.00 61.15 ? 17 GLY A C 1
568
+ ATOM 140 O O . GLY A 1 17 ? 5.834 21.207 8.236 1.00 53.85 ? 17 GLY A O 1
569
+ ATOM 141 N N . ILE A 1 18 ? 8.046 20.760 8.351 1.00 46.46 ? 18 ILE A N 1
570
+ ATOM 142 C CA . ILE A 1 18 ? 7.929 19.414 7.781 1.00 42.77 ? 18 ILE A CA 1
571
+ ATOM 143 C C . ILE A 1 18 ? 8.625 18.382 8.698 1.00 41.14 ? 18 ILE A C 1
572
+ ATOM 144 O O . ILE A 1 18 ? 9.625 18.690 9.338 1.00 40.04 ? 18 ILE A O 1
573
+ ATOM 145 C CB . ILE A 1 18 ? 8.461 19.346 6.319 1.00 35.92 ? 18 ILE A CB 1
574
+ ATOM 146 C CG1 . ILE A 1 18 ? 7.890 20.515 5.489 1.00 41.92 ? 18 ILE A CG1 1
575
+ ATOM 147 C CG2 . ILE A 1 18 ? 8.113 18.000 5.699 1.00 36.27 ? 18 ILE A CG2 1
576
+ ATOM 148 C CD1 . ILE A 1 18 ? 8.357 20.578 4.027 1.00 34.50 ? 18 ILE A CD1 1
577
+ ATOM 149 N N . THR A 1 19 ? 8.078 17.168 8.777 1.00 43.95 ? 19 THR A N 1
578
+ ATOM 150 C CA . THR A 1 19 ? 8.581 16.158 9.712 1.00 26.58 ? 19 THR A CA 1
579
+ ATOM 151 C C . THR A 1 19 ? 10.122 15.889 9.617 1.00 31.98 ? 19 THR A C 1
580
+ ATOM 152 O O . THR A 1 19 ? 10.665 15.776 8.536 1.00 30.42 ? 19 THR A O 1
581
+ ATOM 153 C CB . THR A 1 19 ? 7.758 14.839 9.596 1.00 18.66 ? 19 THR A CB 1
582
+ ATOM 154 O OG1 . THR A 1 19 ? 6.433 15.023 10.117 1.00 30.65 ? 19 THR A OG1 1
583
+ ATOM 155 C CG2 . THR A 1 19 ? 8.426 13.755 10.436 1.00 25.65 ? 19 THR A CG2 1
584
+ ATOM 156 N N . ASP A 1 20 ? 10.828 15.808 10.752 1.00 23.94 ? 20 ASP A N 1
585
+ ATOM 157 C CA . ASP A 1 20 ? 12.230 15.367 10.776 1.00 27.45 ? 20 ASP A CA 1
586
+ ATOM 158 C C . ASP A 1 20 ? 12.314 13.936 11.303 1.00 30.35 ? 20 ASP A C 1
587
+ ATOM 159 O O . ASP A 1 20 ? 12.628 13.717 12.481 1.00 22.15 ? 20 ASP A O 1
588
+ ATOM 160 C CB . ASP A 1 20 ? 13.125 16.299 11.622 1.00 32.94 ? 20 ASP A CB 1
589
+ ATOM 161 C CG . ASP A 1 20 ? 13.123 17.713 11.110 1.00 35.09 ? 20 ASP A CG 1
590
+ ATOM 162 O OD1 . ASP A 1 20 ? 13.551 17.915 9.952 1.00 38.10 ? 20 ASP A OD1 1
591
+ ATOM 163 O OD2 . ASP A 1 20 ? 12.656 18.616 11.843 1.00 46.31 ? 20 ASP A OD2 1
592
+ ATOM 164 N N . GLY A 1 21 ? 11.999 12.967 10.437 1.00 20.60 ? 21 GLY A N 1
593
+ ATOM 165 C CA . GLY A 1 21 ? 11.712 11.625 10.899 1.00 19.21 ? 21 GLY A CA 1
594
+ ATOM 166 C C . GLY A 1 21 ? 12.912 10.766 11.192 1.00 13.16 ? 21 GLY A C 1
595
+ ATOM 167 O O . GLY A 1 21 ? 13.988 10.866 10.600 1.00 16.24 ? 21 GLY A O 1
596
+ ATOM 168 N N . TYR A 1 22 ? 12.698 9.855 12.121 1.00 12.33 ? 22 TYR A N 1
597
+ ATOM 169 C CA . TYR A 1 22 ? 13.582 8.772 12.376 1.00 12.26 ? 22 TYR A CA 1
598
+ ATOM 170 C C . TYR A 1 22 ? 12.789 7.633 12.954 1.00 11.68 ? 22 TYR A C 1
599
+ ATOM 171 O O . TYR A 1 22 ? 11.636 7.797 13.427 1.00 17.43 ? 22 TYR A O 1
600
+ ATOM 172 C CB . TYR A 1 22 ? 14.813 9.184 13.284 1.00 13.19 ? 22 TYR A CB 1
601
+ ATOM 173 C CG . TYR A 1 22 ? 14.479 9.494 14.751 1.00 17.90 ? 22 TYR A CG 1
602
+ ATOM 174 C CD1 . TYR A 1 22 ? 14.766 8.575 15.732 1.00 14.49 ? 22 TYR A CD1 1
603
+ ATOM 175 C CD2 . TYR A 1 22 ? 13.914 10.688 15.098 1.00 15.40 ? 22 TYR A CD2 1
604
+ ATOM 176 C CE1 . TYR A 1 22 ? 14.449 8.828 17.092 1.00 16.12 ? 22 TYR A CE1 1
605
+ ATOM 177 C CE2 . TYR A 1 22 ? 13.633 10.989 16.421 1.00 16.74 ? 22 TYR A CE2 1
606
+ ATOM 178 C CZ . TYR A 1 22 ? 13.898 10.048 17.397 1.00 14.35 ? 22 TYR A CZ 1
607
+ ATOM 179 O OH . TYR A 1 22 ? 13.643 10.298 18.746 1.00 16.33 ? 22 TYR A OH 1
608
+ ATOM 180 N N . VAL A 1 23 ? 13.395 6.455 12.938 1.00 11.63 ? 23 VAL A N 1
609
+ ATOM 181 C CA . VAL A 1 23 ? 12.766 5.209 13.398 1.00 11.01 ? 23 VAL A CA 1
610
+ ATOM 182 C C . VAL A 1 23 ? 13.525 4.517 14.512 1.00 16.22 ? 23 VAL A C 1
611
+ ATOM 183 O O . VAL A 1 23 ? 14.754 4.327 14.444 1.00 13.12 ? 23 VAL A O 1
612
+ ATOM 184 C CB . VAL A 1 23 ? 12.599 4.226 12.201 1.00 11.72 ? 23 VAL A CB 1
613
+ ATOM 185 C CG1 . VAL A 1 23 ? 11.773 3.030 12.591 1.00 13.73 ? 23 VAL A CG1 1
614
+ ATOM 186 C CG2 . VAL A 1 23 ? 11.968 4.987 11.018 1.00 11.83 ? 23 VAL A CG2 1
615
+ ATOM 187 N N . LYS A 1 24 ? 12.790 4.132 15.555 1.00 13.24 ? 24 LYS A N 1
616
+ ATOM 188 C CA . LYS A 1 24 ? 13.386 3.385 16.667 1.00 19.26 ? 24 LYS A CA 1
617
+ ATOM 189 C C . LYS A 1 24 ? 12.990 1.955 16.505 1.00 16.35 ? 24 LYS A C 1
618
+ ATOM 190 O O . LYS A 1 24 ? 11.821 1.647 16.144 1.00 15.96 ? 24 LYS A O 1
619
+ ATOM 191 C CB . LYS A 1 24 ? 12.878 3.884 18.015 1.00 23.49 ? 24 LYS A CB 1
620
+ ATOM 192 C CG . LYS A 1 24 ? 13.293 5.293 18.428 1.00 22.51 ? 24 LYS A CG 1
621
+ ATOM 193 C CD . LYS A 1 24 ? 13.151 5.387 20.001 1.00 16.75 ? 24 LYS A CD 1
622
+ ATOM 194 C CE . LYS A 1 24 ? 13.055 6.832 20.417 1.00 28.58 ? 24 LYS A CE 1
623
+ ATOM 195 N NZ . LYS A 1 24 ? 12.688 6.949 21.888 1.00 35.11 ? 24 LYS A NZ 1
624
+ ATOM 196 N N . VAL A 1 25 ? 13.915 1.053 16.777 1.00 10.66 ? 25 VAL A N 1
625
+ ATOM 197 C CA . VAL A 1 25 ? 13.793 -0.376 16.487 1.00 9.43 ? 25 VAL A CA 1
626
+ ATOM 198 C C . VAL A 1 25 ? 14.136 -1.182 17.711 1.00 14.99 ? 25 VAL A C 1
627
+ ATOM 199 O O . VAL A 1 25 ? 15.283 -1.099 18.267 1.00 15.66 ? 25 VAL A O 1
628
+ ATOM 200 C CB . VAL A 1 25 ? 14.756 -0.850 15.371 1.00 11.24 ? 25 VAL A CB 1
629
+ ATOM 201 C CG1 . VAL A 1 25 ? 14.545 -2.278 15.004 1.00 11.50 ? 25 VAL A CG1 1
630
+ ATOM 202 C CG2 . VAL A 1 25 ? 14.553 0.034 14.135 1.00 11.59 ? 25 VAL A CG2 1
631
+ ATOM 203 N N . PHE A 1 26 ? 13.147 -1.962 18.115 1.00 15.57 ? 26 PHE A N 1
632
+ ATOM 204 C CA . PHE A 1 26 ? 13.310 -2.910 19.223 1.00 19.59 ? 26 PHE A CA 1
633
+ ATOM 205 C C . PHE A 1 26 ? 12.985 -4.311 18.748 1.00 25.25 ? 26 PHE A C 1
634
+ ATOM 206 O O . PHE A 1 26 ? 12.061 -4.536 17.947 1.00 16.54 ? 26 PHE A O 1
635
+ ATOM 207 C CB . PHE A 1 26 ? 12.357 -2.565 20.379 1.00 16.38 ? 26 PHE A CB 1
636
+ ATOM 208 C CG . PHE A 1 26 ? 12.464 -1.137 20.848 1.00 16.76 ? 26 PHE A CG 1
637
+ ATOM 209 C CD1 . PHE A 1 26 ? 13.257 -0.801 21.937 1.00 27.36 ? 26 PHE A CD1 1
638
+ ATOM 210 C CD2 . PHE A 1 26 ? 11.794 -0.131 20.163 1.00 16.73 ? 26 PHE A CD2 1
639
+ ATOM 211 C CE1 . PHE A 1 26 ? 13.343 0.543 22.355 1.00 27.58 ? 26 PHE A CE1 1
640
+ ATOM 212 C CE2 . PHE A 1 26 ? 11.838 1.203 20.564 1.00 20.75 ? 26 PHE A CE2 1
641
+ ATOM 213 C CZ . PHE A 1 26 ? 12.644 1.547 21.674 1.00 33.38 ? 26 PHE A CZ 1
642
+ ATOM 214 N N . CYS A 1 27 ? 13.746 -5.270 19.240 1.00 23.27 ? 27 CYS A N 1
643
+ ATOM 215 C CA . CYS A 1 27 ? 13.365 -6.649 19.047 1.00 16.84 ? 27 CYS A CA 1
644
+ ATOM 216 C C . CYS A 1 27 ? 13.174 -7.257 20.418 1.00 23.79 ? 27 CYS A C 1
645
+ ATOM 217 O O . CYS A 1 27 ? 14.175 -7.475 21.142 1.00 25.50 ? 27 CYS A O 1
646
+ ATOM 218 C CB . CYS A 1 27 ? 14.460 -7.429 18.316 1.00 21.71 ? 27 CYS A CB 1
647
+ ATOM 219 S SG . CYS A 1 27 ? 13.871 -9.090 17.963 1.00 28.50 ? 27 CYS A SG 1
648
+ ATOM 220 N N . GLY A 1 28 ? 11.926 -7.562 20.767 1.00 20.47 ? 28 GLY A N 1
649
+ ATOM 221 C CA . GLY A 1 28 ? 11.631 -7.927 22.148 1.00 27.65 ? 28 GLY A CA 1
650
+ ATOM 222 C C . GLY A 1 28 ? 12.133 -6.833 23.085 1.00 20.36 ? 28 GLY A C 1
651
+ ATOM 223 O O . GLY A 1 28 ? 11.725 -5.674 22.993 1.00 23.13 ? 28 GLY A O 1
652
+ ATOM 224 N N . SER A 1 29 ? 13.045 -7.191 23.994 1.00 37.02 ? 29 SER A N 1
653
+ ATOM 225 C CA . SER A 1 29 ? 13.532 -6.234 24.994 1.00 25.22 ? 29 SER A CA 1
654
+ ATOM 226 C C . SER A 1 29 ? 14.893 -5.631 24.600 1.00 36.48 ? 29 SER A C 1
655
+ ATOM 227 O O . SER A 1 29 ? 15.513 -4.905 25.372 1.00 41.63 ? 29 SER A O 1
656
+ ATOM 228 C CB . SER A 1 29 ? 13.683 -6.939 26.371 1.00 30.25 ? 29 SER A CB 1
657
+ ATOM 229 O OG . SER A 1 29 ? 14.489 -8.108 26.258 1.00 33.12 ? 29 SER A OG 1
658
+ ATOM 230 N N . ALA A 1 30 ? 15.366 -5.959 23.408 1.00 23.44 ? 30 ALA A N 1
659
+ ATOM 231 C CA . ALA A 1 30 ? 16.617 -5.394 22.918 1.00 27.62 ? 30 ALA A CA 1
660
+ ATOM 232 C C . ALA A 1 30 ? 16.364 -4.143 22.062 1.00 32.24 ? 30 ALA A C 1
661
+ ATOM 233 O O . ALA A 1 30 ? 15.675 -4.197 21.038 1.00 26.16 ? 30 ALA A O 1
662
+ ATOM 234 C CB . ALA A 1 30 ? 17.370 -6.427 22.131 1.00 25.80 ? 30 ALA A CB 1
663
+ ATOM 235 N N . ASN A 1 31 ? 16.900 -3.012 22.506 1.00 23.89 ? 31 ASN A N 1
664
+ ATOM 236 C CA . ASN A 1 31 ? 16.889 -1.786 21.724 1.00 25.56 ? 31 ASN A CA 1
665
+ ATOM 237 C C . ASN A 1 31 ? 17.954 -1.883 20.632 1.00 23.20 ? 31 ASN A C 1
666
+ ATOM 238 O O . ASN A 1 31 ? 19.144 -1.586 20.860 1.00 22.88 ? 31 ASN A O 1
667
+ ATOM 239 C CB . ASN A 1 31 ? 17.144 -0.580 22.639 1.00 23.33 ? 31 ASN A CB 1
668
+ ATOM 240 C CG . ASN A 1 31 ? 16.990 0.749 21.932 1.00 24.78 ? 31 ASN A CG 1
669
+ ATOM 241 O OD1 . ASN A 1 31 ? 16.860 0.832 20.707 1.00 33.53 ? 31 ASN A OD1 1
670
+ ATOM 242 N ND2 . ASN A 1 31 ? 17.023 1.821 22.722 1.00 36.00 ? 31 ASN A ND2 1
671
+ ATOM 243 N N . LEU A 1 32 ? 17.519 -2.283 19.431 1.00 24.26 ? 32 LEU A N 1
672
+ ATOM 244 C CA . LEU A 1 32 ? 18.411 -2.485 18.292 1.00 24.71 ? 32 LEU A CA 1
673
+ ATOM 245 C C . LEU A 1 32 ? 19.073 -1.214 17.738 1.00 14.32 ? 32 LEU A C 1
674
+ ATOM 246 O O . LEU A 1 32 ? 20.085 -1.298 17.023 1.00 22.59 ? 32 LEU A O 1
675
+ ATOM 247 C CB . LEU A 1 32 ? 17.668 -3.217 17.176 1.00 14.53 ? 32 LEU A CB 1
676
+ ATOM 248 C CG . LEU A 1 32 ? 17.200 -4.604 17.521 1.00 23.24 ? 32 LEU A CG 1
677
+ ATOM 249 C CD1 . LEU A 1 32 ? 16.713 -5.266 16.264 1.00 19.04 ? 32 LEU A CD1 1
678
+ ATOM 250 C CD2 . LEU A 1 32 ? 18.353 -5.454 18.143 1.00 21.20 ? 32 LEU A CD2 1
679
+ ATOM 251 N N . GLY A 1 33 ? 18.563 -0.041 18.126 1.00 20.41 ? 33 GLY A N 1
680
+ ATOM 252 C CA . GLY A 1 33 ? 19.047 1.214 17.590 1.00 21.25 ? 33 GLY A CA 1
681
+ ATOM 253 C C . GLY A 1 33 ? 17.990 2.107 16.944 1.00 20.30 ? 33 GLY A C 1
682
+ ATOM 254 O O . GLY A 1 33 ? 16.777 1.939 17.137 1.00 18.14 ? 33 GLY A O 1
683
+ ATOM 255 N N . GLU A 1 34 ? 18.460 3.134 16.268 1.00 13.91 ? 34 GLU A N 1
684
+ ATOM 256 C CA . GLU A 1 34 ? 17.561 4.045 15.597 1.00 22.39 ? 34 GLU A CA 1
685
+ ATOM 257 C C . GLU A 1 34 ? 18.213 4.469 14.313 1.00 22.05 ? 34 GLU A C 1
686
+ ATOM 258 O O . GLU A 1 34 ? 19.462 4.438 14.189 1.00 19.53 ? 34 GLU A O 1
687
+ ATOM 259 C CB . GLU A 1 34 ? 17.136 5.249 16.460 1.00 28.77 ? 34 GLU A CB 1
688
+ ATOM 260 C CG . GLU A 1 34 ? 18.147 5.816 17.397 1.00 27.93 ? 34 GLU A CG 1
689
+ ATOM 261 C CD . GLU A 1 34 ? 17.553 6.977 18.223 1.00 17.72 ? 34 GLU A CD 1
690
+ ATOM 262 O OE1 . GLU A 1 34 ? 17.825 8.150 17.856 1.00 29.79 ? 34 GLU A OE1 1
691
+ ATOM 263 O OE2 . GLU A 1 34 ? 16.796 6.716 19.209 1.00 30.28 ? 34 GLU A OE2 1
692
+ ATOM 264 N N . THR A 1 35 ? 17.374 4.803 13.327 1.00 13.71 ? 35 THR A N 1
693
+ ATOM 265 C CA . THR A 1 35 ? 17.930 5.518 12.201 1.00 13.88 ? 35 THR A CA 1
694
+ ATOM 266 C C . THR A 1 35 ? 18.426 6.929 12.518 1.00 16.08 ? 35 THR A C 1
695
+ ATOM 267 O O . THR A 1 35 ? 18.001 7.560 13.475 1.00 19.09 ? 35 THR A O 1
696
+ ATOM 268 C CB . THR A 1 35 ? 16.901 5.701 11.064 1.00 10.07 ? 35 THR A CB 1
697
+ ATOM 269 O OG1 . THR A 1 35 ? 15.838 6.615 11.429 1.00 13.36 ? 35 THR A OG1 1
698
+ ATOM 270 C CG2 . THR A 1 35 ? 16.280 4.342 10.680 1.00 12.93 ? 35 THR A CG2 1
699
+ ATOM 271 N N . SER A 1 36 ? 19.237 7.433 11.590 1.00 14.94 ? 36 SER A N 1
700
+ ATOM 272 C CA . SER A 1 36 ? 19.472 8.858 11.467 1.00 20.09 ? 36 SER A CA 1
701
+ ATOM 273 C C . SER A 1 36 ? 18.178 9.633 11.160 1.00 19.35 ? 36 SER A C 1
702
+ ATOM 274 O O . SER A 1 36 ? 17.136 9.079 10.764 1.00 14.47 ? 36 SER A O 1
703
+ ATOM 275 C CB . SER A 1 36 ? 20.594 9.134 10.427 1.00 15.76 ? 36 SER A CB 1
704
+ ATOM 276 O OG . SER A 1 36 ? 20.145 8.832 9.080 1.00 17.99 ? 36 SER A OG 1
705
+ ATOM 277 N N . VAL A 1 37 ? 18.206 10.923 11.451 1.00 17.33 ? 37 VAL A N 1
706
+ ATOM 278 C CA . VAL A 1 37 ? 17.126 11.828 11.159 1.00 18.40 ? 37 VAL A CA 1
707
+ ATOM 279 C C . VAL A 1 37 ? 17.167 12.219 9.690 1.00 18.65 ? 37 VAL A C 1
708
+ ATOM 280 O O . VAL A 1 37 ? 18.215 12.615 9.115 1.00 18.30 ? 37 VAL A O 1
709
+ ATOM 281 C CB . VAL A 1 37 ? 17.163 13.079 12.045 1.00 22.37 ? 37 VAL A CB 1
710
+ ATOM 282 C CG1 . VAL A 1 37 ? 16.018 13.990 11.658 1.00 22.31 ? 37 VAL A CG1 1
711
+ ATOM 283 C CG2 . VAL A 1 37 ? 17.113 12.653 13.496 1.00 23.42 ? 37 VAL A CG2 1
712
+ ATOM 284 N N . ASN A 1 38 ? 16.036 11.977 9.054 1.00 14.88 ? 38 ASN A N 1
713
+ ATOM 285 C CA . ASN A 1 38 ? 15.861 12.412 7.674 1.00 19.62 ? 38 ASN A CA 1
714
+ ATOM 286 C C . ASN A 1 38 ? 15.099 13.738 7.684 1.00 21.16 ? 38 ASN A C 1
715
+ ATOM 287 O O . ASN A 1 38 ? 13.856 13.810 7.769 1.00 20.11 ? 38 ASN A O 1
716
+ ATOM 288 C CB . ASN A 1 38 ? 15.242 11.284 6.831 1.00 15.72 ? 38 ASN A CB 1
717
+ ATOM 289 C CG . ASN A 1 38 ? 15.348 11.515 5.308 1.00 17.92 ? 38 ASN A CG 1
718
+ ATOM 290 O OD1 . ASN A 1 38 ? 15.099 12.620 4.814 1.00 20.46 ? 38 ASN A OD1 1
719
+ ATOM 291 N ND2 . ASN A 1 38 ? 15.605 10.442 4.559 1.00 18.62 ? 38 ASN A ND2 1
720
+ ATOM 292 N N . HIS A 1 39 ? 15.902 14.806 7.620 1.00 24.88 ? 39 HIS A N 1
721
+ ATOM 293 C CA . HIS A 1 39 ? 15.413 16.166 7.849 1.00 28.53 ? 39 HIS A CA 1
722
+ ATOM 294 C C . HIS A 1 39 ? 14.490 16.738 6.787 1.00 24.70 ? 39 HIS A C 1
723
+ ATOM 295 O O . HIS A 1 39 ? 14.715 16.525 5.584 1.00 28.22 ? 39 HIS A O 1
724
+ ATOM 296 C CB . HIS A 1 39 ? 16.612 17.103 8.005 1.00 27.47 ? 39 HIS A CB 1
725
+ ATOM 297 C CG . HIS A 1 39 ? 17.361 16.917 9.289 1.00 28.62 ? 39 HIS A CG 1
726
+ ATOM 298 N ND1 . HIS A 1 39 ? 18.572 16.257 9.364 1.00 30.53 ? 39 HIS A ND1 1
727
+ ATOM 299 C CD2 . HIS A 1 39 ? 17.037 17.252 10.564 1.00 28.46 ? 39 HIS A CD2 1
728
+ ATOM 300 C CE1 . HIS A 1 39 ? 18.984 16.243 10.619 1.00 24.47 ? 39 HIS A CE1 1
729
+ ATOM 301 N NE2 . HIS A 1 39 ? 18.067 16.830 11.368 1.00 31.28 ? 39 HIS A NE2 1
730
+ ATOM 302 N N . ASN A 1 40 ? 13.440 17.441 7.229 1.00 25.75 ? 40 ASN A N 1
731
+ ATOM 303 C CA . ASN A 1 40 ? 12.588 18.202 6.309 1.00 24.65 ? 40 ASN A CA 1
732
+ ATOM 304 C C . ASN A 1 40 ? 12.109 17.324 5.171 1.00 31.63 ? 40 ASN A C 1
733
+ ATOM 305 O O . ASN A 1 40 ? 12.254 17.669 3.997 1.00 30.42 ? 40 ASN A O 1
734
+ ATOM 306 C CB . ASN A 1 40 ? 13.387 19.395 5.758 1.00 35.27 ? 40 ASN A CB 1
735
+ ATOM 307 C CG . ASN A 1 40 ? 12.556 20.298 4.861 1.00 40.18 ? 40 ASN A CG 1
736
+ ATOM 308 O OD1 . ASN A 1 40 ? 11.440 20.675 5.218 1.00 44.94 ? 40 ASN A OD1 1
737
+ ATOM 309 N ND2 . ASN A 1 40 ? 13.098 20.646 3.675 1.00 46.41 ? 40 ASN A ND2 1
738
+ ATOM 310 N N . ASN A 1 41 ? 11.534 16.177 5.509 1.00 26.78 ? 41 ASN A N 1
739
+ ATOM 311 C CA . ASN A 1 41 ? 11.142 15.188 4.504 1.00 22.33 ? 41 ASN A CA 1
740
+ ATOM 312 C C . ASN A 1 41 ? 9.859 14.447 4.908 1.00 20.77 ? 41 ASN A C 1
741
+ ATOM 313 O O . ASN A 1 41 ? 9.839 13.688 5.896 1.00 20.55 ? 41 ASN A O 1
742
+ ATOM 314 C CB . ASN A 1 41 ? 12.291 14.218 4.295 1.00 22.65 ? 41 ASN A CB 1
743
+ ATOM 315 C CG . ASN A 1 41 ? 12.129 13.393 3.025 1.00 17.84 ? 41 ASN A CG 1
744
+ ATOM 316 O OD1 . ASN A 1 41 ? 11.059 13.383 2.455 1.00 20.41 ? 41 ASN A OD1 1
745
+ ATOM 317 N ND2 . ASN A 1 41 ? 13.171 12.693 2.623 1.00 17.00 ? 41 ASN A ND2 1
746
+ ATOM 318 N N . ALA A 1 42 ? 8.780 14.653 4.154 1.00 16.62 ? 42 ALA A N 1
747
+ ATOM 319 C CA . ALA A 1 42 ? 7.529 13.986 4.435 1.00 20.65 ? 42 ALA A CA 1
748
+ ATOM 320 C C . ALA A 1 42 ? 7.504 12.551 3.917 1.00 17.77 ? 42 ALA A C 1
749
+ ATOM 321 O O . ALA A 1 42 ? 6.593 11.766 4.263 1.00 17.03 ? 42 ALA A O 1
750
+ ATOM 322 C CB . ALA A 1 42 ? 6.372 14.758 3.804 1.00 24.16 ? 42 ALA A CB 1
751
+ ATOM 323 N N . ASN A 1 43 ? 8.472 12.208 3.067 1.00 14.54 ? 43 ASN A N 1
752
+ ATOM 324 C CA . ASN A 1 43 ? 8.506 10.859 2.504 1.00 10.64 ? 43 ASN A CA 1
753
+ ATOM 325 C C . ASN A 1 43 ? 9.935 10.331 2.496 1.00 12.62 ? 43 ASN A C 1
754
+ ATOM 326 O O . ASN A 1 43 ? 10.526 10.042 1.430 1.00 15.62 ? 43 ASN A O 1
755
+ ATOM 327 C CB . ASN A 1 43 ? 7.987 10.860 1.071 1.00 13.85 ? 43 ASN A CB 1
756
+ ATOM 328 C CG . ASN A 1 43 ? 6.597 11.454 0.954 1.00 15.05 ? 43 ASN A CG 1
757
+ ATOM 329 O OD1 . ASN A 1 43 ? 5.585 10.784 1.245 1.00 16.87 ? 43 ASN A OD1 1
758
+ ATOM 330 N ND2 . ASN A 1 43 ? 6.532 12.742 0.555 1.00 20.15 ? 43 ASN A ND2 1
759
+ ATOM 331 N N . PRO A 1 44 ? 10.485 10.157 3.683 1.00 12.09 ? 44 PRO A N 1
760
+ ATOM 332 C CA . PRO A 1 44 ? 11.887 9.729 3.789 1.00 10.86 ? 44 PRO A CA 1
761
+ ATOM 333 C C . PRO A 1 44 ? 12.029 8.232 3.453 1.00 11.74 ? 44 PRO A C 1
762
+ ATOM 334 O O . PRO A 1 44 ? 11.129 7.410 3.640 1.00 12.76 ? 44 PRO A O 1
763
+ ATOM 335 C CB . PRO A 1 44 ? 12.186 9.960 5.284 1.00 13.50 ? 44 PRO A CB 1
764
+ ATOM 336 C CG . PRO A 1 44 ? 10.868 9.826 5.963 1.00 14.91 ? 44 PRO A CG 1
765
+ ATOM 337 C CD . PRO A 1 44 ? 9.885 10.398 5.015 1.00 13.22 ? 44 PRO A CD 1
766
+ ATOM 338 N N . TRP A 1 45 ? 13.219 7.833 3.000 1.00 8.63 ? 45 TRP A N 1
767
+ ATOM 339 C CA . TRP A 1 45 ? 13.590 6.418 3.178 1.00 7.70 ? 45 TRP A CA 1
768
+ ATOM 340 C C . TRP A 1 45 ? 14.929 6.450 3.859 1.00 8.48 ? 45 TRP A C 1
769
+ ATOM 341 O O . TRP A 1 45 ? 15.613 7.443 3.722 1.00 11.89 ? 45 TRP A O 1
770
+ ATOM 342 C CB . TRP A 1 45 ? 13.649 5.656 1.830 1.00 8.56 ? 45 TRP A CB 1
771
+ ATOM 343 C CG . TRP A 1 45 ? 14.727 6.102 0.844 1.00 9.08 ? 45 TRP A CG 1
772
+ ATOM 344 C CD1 . TRP A 1 45 ? 14.678 7.155 -0.058 1.00 6.31 ? 45 TRP A CD1 1
773
+ ATOM 345 C CD2 . TRP A 1 45 ? 16.051 5.506 0.694 1.00 7.71 ? 45 TRP A CD2 1
774
+ ATOM 346 N NE1 . TRP A 1 45 ? 15.871 7.221 -0.771 1.00 12.31 ? 45 TRP A NE1 1
775
+ ATOM 347 C CE2 . TRP A 1 45 ? 16.704 6.214 -0.347 1.00 10.25 ? 45 TRP A CE2 1
776
+ ATOM 348 C CE3 . TRP A 1 45 ? 16.685 4.417 1.282 1.00 10.96 ? 45 TRP A CE3 1
777
+ ATOM 349 C CZ2 . TRP A 1 45 ? 17.985 5.886 -0.777 1.00 11.23 ? 45 TRP A CZ2 1
778
+ ATOM 350 C CZ3 . TRP A 1 45 ? 17.968 4.092 0.887 1.00 9.58 ? 45 TRP A CZ3 1
779
+ ATOM 351 C CH2 . TRP A 1 45 ? 18.602 4.812 -0.177 1.00 14.83 ? 45 TRP A CH2 1
780
+ ATOM 352 N N . TRP A 1 46 ? 15.208 5.424 4.640 1.00 11.66 ? 46 TRP A N 1
781
+ ATOM 353 C CA . TRP A 1 46 ? 16.513 5.322 5.339 1.00 9.86 ? 46 TRP A CA 1
782
+ ATOM 354 C C . TRP A 1 46 ? 17.348 4.211 4.774 1.00 9.53 ? 46 TRP A C 1
783
+ ATOM 355 O O . TRP A 1 46 ? 16.870 3.086 4.383 1.00 9.58 ? 46 TRP A O 1
784
+ ATOM 356 C CB . TRP A 1 46 ? 16.280 5.066 6.827 1.00 11.56 ? 46 TRP A CB 1
785
+ ATOM 357 C CG . TRP A 1 46 ? 15.580 6.224 7.517 1.00 10.03 ? 46 TRP A CG 1
786
+ ATOM 358 C CD1 . TRP A 1 46 ? 16.183 7.306 8.104 1.00 11.10 ? 46 TRP A CD1 1
787
+ ATOM 359 C CD2 . TRP A 1 46 ? 14.170 6.434 7.642 1.00 9.70 ? 46 TRP A CD2 1
788
+ ATOM 360 N NE1 . TRP A 1 46 ? 15.237 8.151 8.624 1.00 13.34 ? 46 TRP A NE1 1
789
+ ATOM 361 C CE2 . TRP A 1 46 ? 13.988 7.658 8.371 1.00 10.62 ? 46 TRP A CE2 1
790
+ ATOM 362 C CE3 . TRP A 1 46 ? 13.048 5.715 7.244 1.00 8.21 ? 46 TRP A CE3 1
791
+ ATOM 363 C CZ2 . TRP A 1 46 ? 12.739 8.163 8.686 1.00 13.54 ? 46 TRP A CZ2 1
792
+ ATOM 364 C CZ3 . TRP A 1 46 ? 11.784 6.205 7.624 1.00 9.77 ? 46 TRP A CZ3 1
793
+ ATOM 365 C CH2 . TRP A 1 46 ? 11.652 7.421 8.338 1.00 9.44 ? 46 TRP A CH2 1
794
+ ATOM 366 N N . THR A 1 47 ? 18.672 4.461 4.791 1.00 9.60 ? 47 THR A N 1
795
+ ATOM 367 C CA . THR A 1 47 ? 19.635 3.437 4.325 1.00 15.55 ? 47 THR A CA 1
796
+ ATOM 368 C C . THR A 1 47 ? 19.903 2.350 5.411 1.00 5.70 ? 47 THR A C 1
797
+ ATOM 369 O O . THR A 1 47 ? 20.233 1.218 5.075 1.00 8.28 ? 47 THR A O 1
798
+ ATOM 370 C CB . THR A 1 47 ? 21.054 4.067 4.031 1.00 13.12 ? 47 THR A CB 1
799
+ ATOM 371 O OG1 . THR A 1 47 ? 21.505 4.792 5.177 1.00 24.72 ? 47 THR A OG1 1
800
+ ATOM 372 C CG2 . THR A 1 47 ? 20.955 5.043 2.908 1.00 16.86 ? 47 THR A CG2 1
801
+ ATOM 373 N N . GLU A 1 48 ? 19.646 2.766 6.632 1.00 8.40 ? 48 GLU A N 1
802
+ ATOM 374 C CA . GLU A 1 48 ? 19.899 1.918 7.795 1.00 7.87 ? 48 GLU A CA 1
803
+ ATOM 375 C C . GLU A 1 48 ? 19.209 0.584 7.760 1.00 14.10 ? 48 GLU A C 1
804
+ ATOM 376 O O . GLU A 1 48 ? 18.027 0.445 7.361 1.00 14.42 ? 48 GLU A O 1
805
+ ATOM 377 C CB . GLU A 1 48 ? 19.740 2.615 9.127 1.00 10.67 ? 48 GLU A CB 1
806
+ ATOM 378 C CG . GLU A 1 48 ? 20.617 3.776 9.370 1.00 15.97 ? 48 GLU A CG 1
807
+ ATOM 379 C CD . GLU A 1 48 ? 20.099 5.103 8.887 1.00 20.34 ? 48 GLU A CD 1
808
+ ATOM 380 O OE1 . GLU A 1 48 ? 19.177 5.224 8.004 1.00 19.19 ? 48 GLU A OE1 1
809
+ ATOM 381 O OE2 . GLU A 1 48 ? 20.620 6.085 9.423 1.00 16.07 ? 48 GLU A OE2 1
810
+ ATOM 382 N N . GLU A 1 49 ? 19.956 -0.439 8.110 1.00 10.06 ? 49 GLU A N 1
811
+ ATOM 383 C CA . GLU A 1 49 ? 19.449 -1.747 8.350 1.00 9.42 ? 49 GLU A CA 1
812
+ ATOM 384 C C . GLU A 1 49 ? 19.856 -2.108 9.787 1.00 12.31 ? 49 GLU A C 1
813
+ ATOM 385 O O . GLU A 1 49 ? 20.859 -1.555 10.332 1.00 13.68 ? 49 GLU A O 1
814
+ ATOM 386 C CB . GLU A 1 49 ? 19.937 -2.727 7.319 1.00 14.82 ? 49 GLU A CB 1
815
+ ATOM 387 C CG . GLU A 1 49 ? 19.840 -2.144 5.891 1.00 13.33 ? 49 GLU A CG 1
816
+ ATOM 388 C CD . GLU A 1 49 ? 20.070 -3.174 4.834 1.00 24.34 ? 49 GLU A CD 1
817
+ ATOM 389 O OE1 . GLU A 1 49 ? 19.670 -2.809 3.690 1.00 28.06 ? 49 GLU A OE1 1
818
+ ATOM 390 O OE2 . GLU A 1 49 ? 20.612 -4.283 5.152 1.00 25.48 ? 49 GLU A OE2 1
819
+ ATOM 391 N N . PHE A 1 50 ? 19.081 -2.994 10.397 1.00 10.79 ? 50 PHE A N 1
820
+ ATOM 392 C CA . PHE A 1 50 ? 19.276 -3.364 11.791 1.00 8.96 ? 50 PHE A CA 1
821
+ ATOM 393 C C . PHE A 1 50 ? 19.298 -4.859 11.855 1.00 14.12 ? 50 PHE A C 1
822
+ ATOM 394 O O . PHE A 1 50 ? 18.418 -5.559 11.310 1.00 14.65 ? 50 PHE A O 1
823
+ ATOM 395 C CB . PHE A 1 50 ? 18.140 -2.782 12.678 1.00 13.32 ? 50 PHE A CB 1
824
+ ATOM 396 C CG . PHE A 1 50 ? 18.058 -1.271 12.643 1.00 15.11 ? 50 PHE A CG 1
825
+ ATOM 397 C CD1 . PHE A 1 50 ? 18.790 -0.512 13.580 1.00 16.13 ? 50 PHE A CD1 1
826
+ ATOM 398 C CD2 . PHE A 1 50 ? 17.311 -0.593 11.642 1.00 10.37 ? 50 PHE A CD2 1
827
+ ATOM 399 C CE1 . PHE A 1 50 ? 18.763 0.841 13.583 1.00 16.19 ? 50 PHE A CE1 1
828
+ ATOM 400 C CE2 . PHE A 1 50 ? 17.268 0.802 11.657 1.00 11.35 ? 50 PHE A CE2 1
829
+ ATOM 401 C CZ . PHE A 1 50 ? 18.021 1.541 12.601 1.00 16.91 ? 50 PHE A CZ 1
830
+ ATOM 402 N N . SER A 1 51 ? 20.304 -5.407 12.546 1.00 12.87 ? 51 SER A N 1
831
+ ATOM 403 C CA . SER A 1 51 ? 20.302 -6.832 12.670 1.00 16.49 ? 51 SER A CA 1
832
+ ATOM 404 C C . SER A 1 51 ? 20.422 -7.148 14.171 1.00 15.80 ? 51 SER A C 1
833
+ ATOM 405 O O . SER A 1 51 ? 21.032 -6.392 14.984 1.00 19.93 ? 51 SER A O 1
834
+ ATOM 406 C CB . SER A 1 51 ? 21.407 -7.504 11.797 1.00 22.16 ? 51 SER A CB 1
835
+ ATOM 407 O OG . SER A 1 51 ? 20.959 -7.901 10.461 1.00 24.44 ? 51 SER A OG 1
836
+ ATOM 408 N N . HIS A 1 52 ? 19.751 -8.228 14.524 1.00 17.02 ? 52 HIS A N 1
837
+ ATOM 409 C CA . HIS A 1 52 ? 19.827 -8.770 15.902 1.00 11.73 ? 52 HIS A CA 1
838
+ ATOM 410 C C . HIS A 1 52 ? 20.123 -10.256 15.775 1.00 15.27 ? 52 HIS A C 1
839
+ ATOM 411 O O . HIS A 1 52 ? 19.422 -11.065 15.118 1.00 13.21 ? 52 HIS A O 1
840
+ ATOM 412 C CB . HIS A 1 52 ? 18.537 -8.517 16.678 1.00 15.17 ? 52 HIS A CB 1
841
+ ATOM 413 C CG . HIS A 1 52 ? 18.622 -8.920 18.133 1.00 15.80 ? 52 HIS A CG 1
842
+ ATOM 414 N ND1 . HIS A 1 52 ? 19.755 -8.715 18.906 1.00 16.81 ? 52 HIS A ND1 1
843
+ ATOM 415 C CD2 . HIS A 1 52 ? 17.705 -9.483 18.957 1.00 14.27 ? 52 HIS A CD2 1
844
+ ATOM 416 C CE1 . HIS A 1 52 ? 19.534 -9.153 20.138 1.00 19.89 ? 52 HIS A CE1 1
845
+ ATOM 417 N NE2 . HIS A 1 52 ? 18.287 -9.596 20.205 1.00 20.10 ? 52 HIS A NE2 1
846
+ ATOM 418 N N . PHE A 1 53 ? 21.207 -10.685 16.455 1.00 14.87 ? 53 PHE A N 1
847
+ ATOM 419 C CA . PHE A 1 53 ? 21.606 -12.087 16.183 1.00 17.22 ? 53 PHE A CA 1
848
+ ATOM 420 C C . PHE A 1 53 ? 21.144 -13.085 17.259 1.00 25.16 ? 53 PHE A C 1
849
+ ATOM 421 O O . PHE A 1 53 ? 21.504 -14.256 17.173 1.00 24.72 ? 53 PHE A O 1
850
+ ATOM 422 C CB . PHE A 1 53 ? 23.108 -12.180 15.931 1.00 17.18 ? 53 PHE A CB 1
851
+ ATOM 423 C CG . PHE A 1 53 ? 23.524 -11.495 14.679 1.00 18.04 ? 53 PHE A CG 1
852
+ ATOM 424 C CD1 . PHE A 1 53 ? 23.535 -12.178 13.482 1.00 25.99 ? 53 PHE A CD1 1
853
+ ATOM 425 C CD2 . PHE A 1 53 ? 23.869 -10.137 14.718 1.00 15.54 ? 53 PHE A CD2 1
854
+ ATOM 426 C CE1 . PHE A 1 53 ? 23.894 -11.531 12.319 1.00 22.81 ? 53 PHE A CE1 1
855
+ ATOM 427 C CE2 . PHE A 1 53 ? 24.223 -9.456 13.563 1.00 17.59 ? 53 PHE A CE2 1
856
+ ATOM 428 C CZ . PHE A 1 53 ? 24.245 -10.175 12.355 1.00 23.36 ? 53 PHE A CZ 1
857
+ ATOM 429 N N . LYS A 1 54 ? 20.242 -12.622 18.147 1.00 14.38 ? 54 LYS A N 1
858
+ ATOM 430 C CA . LYS A 1 54 ? 19.690 -13.403 19.257 1.00 17.11 ? 54 LYS A CA 1
859
+ ATOM 431 C C . LYS A 1 54 ? 18.180 -13.400 19.146 1.00 18.82 ? 54 LYS A C 1
860
+ ATOM 432 O O . LYS A 1 54 ? 17.425 -13.623 20.113 1.00 22.77 ? 54 LYS A O 1
861
+ ATOM 433 C CB . LYS A 1 54 ? 20.059 -12.763 20.596 1.00 19.31 ? 54 LYS A CB 1
862
+ ATOM 434 C CG . LYS A 1 54 ? 21.540 -12.785 20.892 1.00 22.03 ? 54 LYS A CG 1
863
+ ATOM 435 C CD . LYS A 1 54 ? 21.714 -12.948 22.389 1.00 21.44 ? 54 LYS A CD 1
864
+ ATOM 436 C CE . LYS A 1 54 ? 21.697 -11.640 23.104 1.00 17.93 ? 54 LYS A CE 1
865
+ ATOM 437 N NZ . LYS A 1 54 ? 21.339 -11.903 24.563 1.00 18.81 ? 54 LYS A NZ 1
866
+ ATOM 438 N N . ALA A 1 55 ? 17.725 -13.098 17.965 1.00 16.81 ? 55 ALA A N 1
867
+ ATOM 439 C CA . ALA A 1 55 ? 16.279 -13.088 17.778 1.00 14.66 ? 55 ALA A CA 1
868
+ ATOM 440 C C . ALA A 1 55 ? 15.695 -14.496 17.857 1.00 17.91 ? 55 ALA A C 1
869
+ ATOM 441 O O . ALA A 1 55 ? 16.353 -15.516 17.611 1.00 19.15 ? 55 ALA A O 1
870
+ ATOM 442 C CB . ALA A 1 55 ? 15.946 -12.437 16.455 1.00 17.27 ? 55 ALA A CB 1
871
+ ATOM 443 N N . GLN A 1 56 ? 14.417 -14.571 18.183 1.00 20.06 ? 56 GLN A N 1
872
+ ATOM 444 C CA . GLN A 1 56 ? 13.747 -15.856 18.099 1.00 20.07 ? 56 GLN A CA 1
873
+ ATOM 445 C C . GLN A 1 56 ? 12.348 -15.616 17.578 1.00 17.76 ? 56 GLN A C 1
874
+ ATOM 446 O O . GLN A 1 56 ? 11.811 -14.534 17.750 1.00 19.71 ? 56 GLN A O 1
875
+ ATOM 447 C CB . GLN A 1 56 ? 13.638 -16.481 19.503 1.00 24.41 ? 56 GLN A CB 1
876
+ ATOM 448 C CG . GLN A 1 56 ? 14.958 -17.091 20.023 1.00 35.33 ? 56 GLN A CG 1
877
+ ATOM 449 C CD . GLN A 1 56 ? 15.360 -18.314 19.209 1.00 39.04 ? 56 GLN A CD 1
878
+ ATOM 450 O OE1 . GLN A 1 56 ? 16.558 -18.640 19.077 1.00 45.09 ? 56 GLN A OE1 1
879
+ ATOM 451 N NE2 . GLN A 1 56 ? 14.354 -18.999 18.638 1.00 45.10 ? 56 GLN A NE2 1
880
+ ATOM 452 N N . GLU A 1 57 ? 11.800 -16.624 16.919 1.00 17.70 ? 57 GLU A N 1
881
+ ATOM 453 C CA . GLU A 1 57 ? 10.453 -16.561 16.414 1.00 27.74 ? 57 GLU A CA 1
882
+ ATOM 454 C C . GLU A 1 57 ? 9.509 -16.169 17.541 1.00 26.21 ? 57 GLU A C 1
883
+ ATOM 455 O O . GLU A 1 57 ? 9.662 -16.633 18.694 1.00 23.02 ? 57 GLU A O 1
884
+ ATOM 456 C CB . GLU A 1 57 ? 10.074 -17.899 15.823 1.00 30.51 ? 57 GLU A CB 1
885
+ ATOM 457 C CG . GLU A 1 57 ? 8.730 -17.866 15.110 1.00 32.96 ? 57 GLU A CG 1
886
+ ATOM 458 C CD . GLU A 1 57 ? 8.615 -18.949 14.057 1.00 51.95 ? 57 GLU A CD 1
887
+ ATOM 459 O OE1 . GLU A 1 57 ? 9.147 -20.061 14.319 1.00 51.42 ? 57 GLU A OE1 1
888
+ ATOM 460 O OE2 . GLU A 1 57 ? 8.011 -18.676 12.977 1.00 36.49 ? 57 GLU A OE2 1
889
+ ATOM 461 N N . ASN A 1 58 ? 8.558 -15.301 17.195 1.00 19.82 ? 58 ASN A N 1
890
+ ATOM 462 C CA . ASN A 1 58 ? 7.566 -14.699 18.074 1.00 20.12 ? 58 ASN A CA 1
891
+ ATOM 463 C C . ASN A 1 58 ? 8.029 -13.603 18.964 1.00 26.14 ? 58 ASN A C 1
892
+ ATOM 464 O O . ASN A 1 58 ? 7.266 -13.084 19.770 1.00 24.55 ? 58 ASN A O 1
893
+ ATOM 465 C CB . ASN A 1 58 ? 6.705 -15.769 18.751 1.00 21.57 ? 58 ASN A CB 1
894
+ ATOM 466 C CG . ASN A 1 58 ? 5.931 -16.563 17.722 1.00 29.51 ? 58 ASN A CG 1
895
+ ATOM 467 O OD1 . ASN A 1 58 ? 5.379 -15.976 16.795 1.00 32.26 ? 58 ASN A OD1 1
896
+ ATOM 468 N ND2 . ASN A 1 58 ? 5.948 -17.881 17.825 1.00 39.40 ? 58 ASN A ND2 1
897
+ ATOM 469 N N . ASP A 1 59 ? 9.291 -13.209 18.802 1.00 17.47 ? 59 ASP A N 1
898
+ ATOM 470 C CA . ASP A 1 59 ? 9.712 -12.029 19.468 1.00 13.84 ? 59 ASP A CA 1
899
+ ATOM 471 C C . ASP A 1 59 ? 8.870 -10.899 18.861 1.00 12.11 ? 59 ASP A C 1
900
+ ATOM 472 O O . ASP A 1 59 ? 8.432 -10.960 17.674 1.00 17.77 ? 59 ASP A O 1
901
+ ATOM 473 C CB . ASP A 1 59 ? 11.148 -11.718 19.118 1.00 15.22 ? 59 ASP A CB 1
902
+ ATOM 474 C CG . ASP A 1 59 ? 12.172 -12.559 19.901 1.00 21.61 ? 59 ASP A CG 1
903
+ ATOM 475 O OD1 . ASP A 1 59 ? 11.825 -13.180 20.948 1.00 23.62 ? 59 ASP A OD1 1
904
+ ATOM 476 O OD2 . ASP A 1 59 ? 13.362 -12.530 19.487 1.00 26.66 ? 59 ASP A OD2 1
905
+ ATOM 477 N N . ILE A 1 60 ? 8.729 -9.845 19.638 1.00 14.53 ? 60 ILE A N 1
906
+ ATOM 478 C CA . ILE A 1 60 ? 7.941 -8.713 19.220 1.00 18.06 ? 60 ILE A CA 1
907
+ ATOM 479 C C . ILE A 1 60 ? 8.896 -7.674 18.670 1.00 15.46 ? 60 ILE A C 1
908
+ ATOM 480 O O . ILE A 1 60 ? 9.681 -7.066 19.416 1.00 20.17 ? 60 ILE A O 1
909
+ ATOM 481 C CB . ILE A 1 60 ? 7.115 -8.122 20.353 1.00 20.49 ? 60 ILE A CB 1
910
+ ATOM 482 C CG1 . ILE A 1 60 ? 6.111 -9.183 20.826 1.00 23.96 ? 60 ILE A CG1 1
911
+ ATOM 483 C CG2 . ILE A 1 60 ? 6.365 -6.894 19.843 1.00 22.72 ? 60 ILE A CG2 1
912
+ ATOM 484 C CD1 . ILE A 1 60 ? 5.367 -9.817 19.681 1.00 19.90 ? 60 ILE A CD1 1
913
+ ATOM 485 N N . LEU A 1 61 ? 8.804 -7.495 17.349 1.00 13.57 ? 61 LEU A N 1
914
+ ATOM 486 C CA . LEU A 1 61 ? 9.462 -6.401 16.612 1.00 17.75 ? 61 LEU A CA 1
915
+ ATOM 487 C C . LEU A 1 61 ? 8.602 -5.168 16.846 1.00 16.24 ? 61 LEU A C 1
916
+ ATOM 488 O O . LEU A 1 61 ? 7.412 -5.160 16.564 1.00 19.81 ? 61 LEU A O 1
917
+ ATOM 489 C CB . LEU A 1 61 ? 9.628 -6.727 15.080 1.00 10.92 ? 61 LEU A CB 1
918
+ ATOM 490 C CG . LEU A 1 61 ? 10.048 -5.538 14.200 1.00 13.79 ? 61 LEU A CG 1
919
+ ATOM 491 C CD1 . LEU A 1 61 ? 11.528 -5.179 14.424 1.00 18.87 ? 61 LEU A CD1 1
920
+ ATOM 492 C CD2 . LEU A 1 61 ? 9.809 -5.862 12.714 1.00 13.60 ? 61 LEU A CD2 1
921
+ ATOM 493 N N . ARG A 1 62 ? 9.182 -4.148 17.451 1.00 13.88 ? 62 ARG A N 1
922
+ ATOM 494 C CA . ARG A 1 62 ? 8.507 -2.891 17.670 1.00 17.12 ? 62 ARG A CA 1
923
+ ATOM 495 C C . ARG A 1 62 ? 9.259 -1.722 16.981 1.00 19.57 ? 62 ARG A C 1
924
+ ATOM 496 O O . ARG A 1 62 ? 10.504 -1.494 17.145 1.00 16.79 ? 62 ARG A O 1
925
+ ATOM 497 C CB . ARG A 1 62 ? 8.385 -2.666 19.212 1.00 17.43 ? 62 ARG A CB 1
926
+ ATOM 498 C CG . ARG A 1 62 ? 7.959 -1.299 19.588 1.00 18.70 ? 62 ARG A CG 1
927
+ ATOM 499 C CD . ARG A 1 62 ? 8.184 -1.098 21.082 1.00 27.94 ? 62 ARG A CD 1
928
+ ATOM 500 N NE . ARG A 1 62 ? 7.751 0.219 21.535 1.00 25.74 ? 62 ARG A NE 1
929
+ ATOM 501 C CZ . ARG A 1 62 ? 6.527 0.483 21.993 1.00 32.21 ? 62 ARG A CZ 1
930
+ ATOM 502 N NH1 . ARG A 1 62 ? 5.616 -0.488 22.046 1.00 30.00 ? 62 ARG A NH1 1
931
+ ATOM 503 N NH2 . ARG A 1 62 ? 6.208 1.715 22.417 1.00 32.42 ? 62 ARG A NH2 1
932
+ ATOM 504 N N . LEU A 1 63 ? 8.483 -0.953 16.240 1.00 18.75 ? 63 LEU A N 1
933
+ ATOM 505 C CA . LEU A 1 63 ? 9.004 0.135 15.431 1.00 11.65 ? 63 LEU A CA 1
934
+ ATOM 506 C C . LEU A 1 63 ? 8.318 1.378 15.903 1.00 15.87 ? 63 LEU A C 1
935
+ ATOM 507 O O . LEU A 1 63 ? 7.114 1.456 15.997 1.00 15.63 ? 63 LEU A O 1
936
+ ATOM 508 C CB . LEU A 1 63 ? 8.763 -0.105 13.937 1.00 9.57 ? 63 LEU A CB 1
937
+ ATOM 509 C CG . LEU A 1 63 ? 9.389 -1.357 13.363 1.00 9.75 ? 63 LEU A CG 1
938
+ ATOM 510 C CD1 . LEU A 1 63 ? 9.197 -1.455 11.814 1.00 17.04 ? 63 LEU A CD1 1
939
+ ATOM 511 C CD2 . LEU A 1 63 ? 10.862 -1.471 13.615 1.00 14.14 ? 63 LEU A CD2 1
940
+ ATOM 512 N N . GLU A 1 64 ? 9.109 2.374 16.233 1.00 13.19 ? 64 GLU A N 1
941
+ ATOM 513 C CA . GLU A 1 64 ? 8.508 3.643 16.519 1.00 19.72 ? 64 GLU A CA 1
942
+ ATOM 514 C C . GLU A 1 64 ? 9.039 4.664 15.528 1.00 13.55 ? 64 GLU A C 1
943
+ ATOM 515 O O . GLU A 1 64 ? 10.270 4.762 15.328 1.00 14.38 ? 64 GLU A O 1
944
+ ATOM 516 C CB . GLU A 1 64 ? 8.792 4.067 17.954 1.00 14.37 ? 64 GLU A CB 1
945
+ ATOM 517 C CG . GLU A 1 64 ? 8.438 3.029 18.980 1.00 18.26 ? 64 GLU A CG 1
946
+ ATOM 518 C CD . GLU A 1 64 ? 8.922 3.415 20.352 1.00 24.15 ? 64 GLU A CD 1
947
+ ATOM 519 O OE1 . GLU A 1 64 ? 9.490 4.527 20.475 1.00 20.85 ? 64 GLU A OE1 1
948
+ ATOM 520 O OE2 . GLU A 1 64 ? 8.771 2.587 21.283 1.00 22.87 ? 64 GLU A OE2 1
949
+ ATOM 521 N N . VAL A 1 65 ? 8.125 5.454 14.989 1.00 13.76 ? 65 VAL A N 1
950
+ ATOM 522 C CA . VAL A 1 65 ? 8.479 6.580 14.133 1.00 12.62 ? 65 VAL A CA 1
951
+ ATOM 523 C C . VAL A 1 65 ? 8.380 7.865 14.965 1.00 16.27 ? 65 VAL A C 1
952
+ ATOM 524 O O . VAL A 1 65 ? 7.326 8.163 15.550 1.00 14.39 ? 65 VAL A O 1
953
+ ATOM 525 C CB . VAL A 1 65 ? 7.597 6.644 12.897 1.00 13.60 ? 65 VAL A CB 1
954
+ ATOM 526 C CG1 . VAL A 1 65 ? 7.902 7.911 12.115 1.00 15.49 ? 65 VAL A CG1 1
955
+ ATOM 527 C CG2 . VAL A 1 65 ? 7.804 5.359 12.042 1.00 12.73 ? 65 VAL A CG2 1
956
+ ATOM 528 N N . HIS A 1 66 ? 9.465 8.617 15.013 1.00 12.67 ? 66 HIS A N 1
957
+ ATOM 529 C CA . HIS A 1 66 ? 9.489 9.893 15.769 1.00 14.98 ? 66 HIS A CA 1
958
+ ATOM 530 C C . HIS A 1 66 ? 9.838 11.071 14.914 1.00 15.50 ? 66 HIS A C 1
959
+ ATOM 531 O O . HIS A 1 66 ? 10.468 10.958 13.860 1.00 18.53 ? 66 HIS A O 1
960
+ ATOM 532 C CB . HIS A 1 66 ? 10.508 9.861 16.892 1.00 16.35 ? 66 HIS A CB 1
961
+ ATOM 533 C CG . HIS A 1 66 ? 10.225 8.839 17.926 1.00 13.57 ? 66 HIS A CG 1
962
+ ATOM 534 N ND1 . HIS A 1 66 ? 9.734 9.160 19.186 1.00 18.26 ? 66 HIS A ND1 1
963
+ ATOM 535 C CD2 . HIS A 1 66 ? 10.378 7.497 17.913 1.00 17.13 ? 66 HIS A CD2 1
964
+ ATOM 536 C CE1 . HIS A 1 66 ? 9.593 8.050 19.888 1.00 16.64 ? 66 HIS A CE1 1
965
+ ATOM 537 N NE2 . HIS A 1 66 ? 9.987 7.024 19.141 1.00 20.70 ? 66 HIS A NE2 1
966
+ ATOM 538 N N . ASP A 1 67 ? 9.432 12.228 15.392 1.00 17.58 ? 67 ASP A N 1
967
+ ATOM 539 C CA . ASP A 1 67 ? 9.724 13.492 14.743 1.00 17.59 ? 67 ASP A CA 1
968
+ ATOM 540 C C . ASP A 1 67 ? 10.668 14.214 15.649 1.00 22.65 ? 67 ASP A C 1
969
+ ATOM 541 O O . ASP A 1 67 ? 10.327 14.487 16.808 1.00 22.40 ? 67 ASP A O 1
970
+ ATOM 542 C CB . ASP A 1 67 ? 8.411 14.216 14.586 1.00 16.54 ? 67 ASP A CB 1
971
+ ATOM 543 C CG . ASP A 1 67 ? 8.539 15.536 13.856 1.00 26.82 ? 67 ASP A CG 1
972
+ ATOM 544 O OD1 . ASP A 1 67 ? 9.696 15.971 13.528 1.00 25.02 ? 67 ASP A OD1 1
973
+ ATOM 545 O OD2 . ASP A 1 67 ? 7.458 16.130 13.605 1.00 31.22 ? 67 ASP A OD2 1
974
+ ATOM 546 N N . GLU A 1 68 ? 11.891 14.456 15.184 1.00 17.82 ? 68 GLU A N 1
975
+ ATOM 547 C CA . GLU A 1 68 ? 12.891 15.022 16.101 1.00 21.41 ? 68 GLU A CA 1
976
+ ATOM 548 C C . GLU A 1 68 ? 12.711 16.517 16.259 1.00 19.87 ? 68 GLU A C 1
977
+ ATOM 549 O O . GLU A 1 68 ? 12.510 17.250 15.294 1.00 21.61 ? 68 GLU A O 1
978
+ ATOM 550 C CB . GLU A 1 68 ? 14.313 14.742 15.607 1.00 19.34 ? 68 GLU A CB 1
979
+ ATOM 551 C CG . GLU A 1 68 ? 15.376 15.432 16.461 1.00 29.66 ? 68 GLU A CG 1
980
+ ATOM 552 C CD . GLU A 1 68 ? 16.733 15.427 15.810 1.00 24.30 ? 68 GLU A CD 1
981
+ ATOM 553 O OE1 . GLU A 1 68 ? 17.626 14.692 16.314 1.00 30.81 ? 68 GLU A OE1 1
982
+ ATOM 554 O OE2 . GLU A 1 68 ? 16.909 16.156 14.786 1.00 30.11 ? 68 GLU A OE2 1
983
+ ATOM 555 N N . ASP A 1 69 ? 12.819 16.982 17.503 1.00 19.41 ? 69 ASP A N 1
984
+ ATOM 556 C CA . ASP A 1 69 ? 12.838 18.407 17.723 1.00 31.67 ? 69 ASP A CA 1
985
+ ATOM 557 C C . ASP A 1 69 ? 13.836 18.726 18.815 1.00 16.94 ? 69 ASP A C 1
986
+ ATOM 558 O O . ASP A 1 69 ? 14.339 17.827 19.456 1.00 19.73 ? 69 ASP A O 1
987
+ ATOM 559 C CB . ASP A 1 69 ? 11.454 18.934 18.057 1.00 21.69 ? 69 ASP A CB 1
988
+ ATOM 560 C CG . ASP A 1 69 ? 11.296 20.385 17.682 1.00 38.64 ? 69 ASP A CG 1
989
+ ATOM 561 O OD1 . ASP A 1 69 ? 12.315 20.992 17.249 1.00 35.88 ? 69 ASP A OD1 1
990
+ ATOM 562 O OD2 . ASP A 1 69 ? 10.163 20.906 17.825 1.00 45.76 ? 69 ASP A OD2 1
991
+ ATOM 563 N N . THR A 1 70 ? 14.106 20.017 19.004 1.00 28.18 ? 70 THR A N 1
992
+ ATOM 564 C CA . THR A 1 70 ? 15.187 20.467 19.873 1.00 27.91 ? 70 THR A CA 1
993
+ ATOM 565 C C . THR A 1 70 ? 15.104 19.911 21.273 1.00 25.27 ? 70 THR A C 1
994
+ ATOM 566 O O . THR A 1 70 ? 16.110 19.393 21.805 1.00 22.50 ? 70 THR A O 1
995
+ ATOM 567 C CB . THR A 1 70 ? 15.234 21.985 19.993 1.00 25.27 ? 70 THR A CB 1
996
+ ATOM 568 O OG1 . THR A 1 70 ? 15.334 22.561 18.678 1.00 30.27 ? 70 THR A OG1 1
997
+ ATOM 569 C CG2 . THR A 1 70 ? 16.458 22.375 20.866 1.00 23.48 ? 70 THR A CG2 1
998
+ ATOM 570 N N . PHE A 1 71 ? 13.909 19.969 21.865 1.00 20.35 ? 71 PHE A N 1
999
+ ATOM 571 C CA . PHE A 1 71 ? 13.790 19.627 23.284 1.00 20.90 ? 71 PHE A CA 1
1000
+ ATOM 572 C C . PHE A 1 71 ? 13.102 18.320 23.565 1.00 17.52 ? 71 PHE A C 1
1001
+ ATOM 573 O O . PHE A 1 71 ? 13.443 17.613 24.509 1.00 16.10 ? 71 PHE A O 1
1002
+ ATOM 574 C CB . PHE A 1 71 ? 13.131 20.758 24.072 1.00 19.34 ? 71 PHE A CB 1
1003
+ ATOM 575 C CG . PHE A 1 71 ? 13.749 22.085 23.828 1.00 30.66 ? 71 PHE A CG 1
1004
+ ATOM 576 C CD1 . PHE A 1 71 ? 14.951 22.445 24.456 1.00 25.42 ? 71 PHE A CD1 1
1005
+ ATOM 577 C CD2 . PHE A 1 71 ? 13.153 22.978 22.948 1.00 33.61 ? 71 PHE A CD2 1
1006
+ ATOM 578 C CE1 . PHE A 1 71 ? 15.531 23.677 24.205 1.00 21.52 ? 71 PHE A CE1 1
1007
+ ATOM 579 C CE2 . PHE A 1 71 ? 13.734 24.225 22.688 1.00 35.86 ? 71 PHE A CE2 1
1008
+ ATOM 580 C CZ . PHE A 1 71 ? 14.922 24.577 23.336 1.00 40.68 ? 71 PHE A CZ 1
1009
+ ATOM 581 N N . PHE A 1 72 ? 12.107 17.997 22.705 1.00 22.32 ? 72 PHE A N 1
1010
+ ATOM 582 C CA . PHE A 1 72 ? 11.276 16.817 22.870 1.00 16.97 ? 72 PHE A CA 1
1011
+ ATOM 583 C C . PHE A 1 72 ? 11.062 16.256 21.492 1.00 11.33 ? 72 PHE A C 1
1012
+ ATOM 584 O O . PHE A 1 72 ? 10.834 17.012 20.552 1.00 18.11 ? 72 PHE A O 1
1013
+ ATOM 585 C CB . PHE A 1 72 ? 9.886 17.200 23.398 1.00 15.87 ? 72 PHE A CB 1
1014
+ ATOM 586 C CG . PHE A 1 72 ? 9.962 17.995 24.599 1.00 19.61 ? 72 PHE A CG 1
1015
+ ATOM 587 C CD1 . PHE A 1 72 ? 10.348 17.399 25.753 1.00 15.93 ? 72 PHE A CD1 1
1016
+ ATOM 588 C CD2 . PHE A 1 72 ? 9.721 19.364 24.562 1.00 16.55 ? 72 PHE A CD2 1
1017
+ ATOM 589 C CE1 . PHE A 1 72 ? 10.437 18.154 26.941 1.00 21.25 ? 72 PHE A CE1 1
1018
+ ATOM 590 C CE2 . PHE A 1 72 ? 9.843 20.119 25.730 1.00 25.10 ? 72 PHE A CE2 1
1019
+ ATOM 591 C CZ . PHE A 1 72 ? 10.194 19.515 26.882 1.00 20.29 ? 72 PHE A CZ 1
1020
+ ATOM 592 N N . ASP A 1 73 ? 11.194 14.957 21.400 1.00 11.73 ? 73 ASP A N 1
1021
+ ATOM 593 C CA . ASP A 1 73 ? 10.795 14.307 20.137 1.00 13.25 ? 73 ASP A CA 1
1022
+ ATOM 594 C C . ASP A 1 73 ? 9.320 13.876 20.226 1.00 18.69 ? 73 ASP A C 1
1023
+ ATOM 595 O O . ASP A 1 73 ? 8.815 13.551 21.321 1.00 19.75 ? 73 ASP A O 1
1024
+ ATOM 596 C CB . ASP A 1 73 ? 11.726 13.153 19.807 1.00 15.05 ? 73 ASP A CB 1
1025
+ ATOM 597 C CG . ASP A 1 73 ? 13.143 13.618 19.546 1.00 12.94 ? 73 ASP A CG 1
1026
+ ATOM 598 O OD1 . ASP A 1 73 ? 13.320 14.835 19.306 1.00 18.04 ? 73 ASP A OD1 1
1027
+ ATOM 599 O OD2 . ASP A 1 73 ? 14.078 12.794 19.533 1.00 21.00 ? 73 ASP A OD2 1
1028
+ ATOM 600 N N . ASP A 1 74 ? 8.656 13.853 19.070 1.00 19.88 ? 74 ASP A N 1
1029
+ ATOM 601 C CA . ASP A 1 74 ? 7.215 13.576 19.048 1.00 15.69 ? 74 ASP A CA 1
1030
+ ATOM 602 C C . ASP A 1 74 ? 7.000 12.178 18.480 1.00 17.91 ? 74 ASP A C 1
1031
+ ATOM 603 O O . ASP A 1 74 ? 7.510 11.836 17.399 1.00 17.06 ? 74 ASP A O 1
1032
+ ATOM 604 C CB . ASP A 1 74 ? 6.487 14.637 18.230 1.00 21.36 ? 74 ASP A CB 1
1033
+ ATOM 605 C CG . ASP A 1 74 ? 4.984 14.440 18.217 1.00 35.64 ? 74 ASP A CG 1
1034
+ ATOM 606 O OD1 . ASP A 1 74 ? 4.432 13.742 19.118 1.00 38.27 ? 74 ASP A OD1 1
1035
+ ATOM 607 O OD2 . ASP A 1 74 ? 4.355 14.994 17.291 1.00 43.19 ? 74 ASP A OD2 1
1036
+ ATOM 608 N N . LEU A 1 75 ? 6.354 11.322 19.255 1.00 14.45 ? 75 LEU A N 1
1037
+ ATOM 609 C CA . LEU A 1 75 ? 6.076 9.962 18.771 1.00 16.16 ? 75 LEU A CA 1
1038
+ ATOM 610 C C . LEU A 1 75 ? 5.001 10.024 17.686 1.00 21.34 ? 75 LEU A C 1
1039
+ ATOM 611 O O . LEU A 1 75 ? 3.903 10.554 17.917 1.00 18.41 ? 75 LEU A O 1
1040
+ ATOM 612 C CB . LEU A 1 75 ? 5.683 9.047 19.939 1.00 13.94 ? 75 LEU A CB 1
1041
+ ATOM 613 C CG . LEU A 1 75 ? 5.059 7.689 19.606 1.00 17.27 ? 75 LEU A CG 1
1042
+ ATOM 614 C CD1 . LEU A 1 75 ? 6.083 6.851 18.813 1.00 15.55 ? 75 LEU A CD1 1
1043
+ ATOM 615 C CD2 . LEU A 1 75 ? 4.615 6.983 20.865 1.00 17.52 ? 75 LEU A CD2 1
1044
+ ATOM 616 N N . LEU A 1 76 ? 5.292 9.493 16.491 1.00 14.98 ? 76 LEU A N 1
1045
+ ATOM 617 C CA . LEU A 1 76 ? 4.329 9.632 15.392 1.00 19.71 ? 76 LEU A CA 1
1046
+ ATOM 618 C C . LEU A 1 76 ? 3.490 8.381 15.222 1.00 17.78 ? 76 LEU A C 1
1047
+ ATOM 619 O O . LEU A 1 76 ? 2.335 8.425 14.755 1.00 25.79 ? 76 LEU A O 1
1048
+ ATOM 620 C CB . LEU A 1 76 ? 5.078 9.949 14.092 1.00 21.28 ? 76 LEU A CB 1
1049
+ ATOM 621 C CG . LEU A 1 76 ? 5.794 11.298 14.137 1.00 21.92 ? 76 LEU A CG 1
1050
+ ATOM 622 C CD1 . LEU A 1 76 ? 6.384 11.652 12.744 1.00 23.44 ? 76 LEU A CD1 1
1051
+ ATOM 623 C CD2 . LEU A 1 76 ? 4.844 12.389 14.646 1.00 24.44 ? 76 LEU A CD2 1
1052
+ ATOM 624 N N . GLY A 1 77 ? 4.037 7.244 15.648 1.00 13.78 ? 77 GLY A N 1
1053
+ ATOM 625 C CA . GLY A 1 77 ? 3.260 6.020 15.557 1.00 17.92 ? 77 GLY A CA 1
1054
+ ATOM 626 C C . GLY A 1 77 ? 4.066 4.872 16.051 1.00 16.80 ? 77 GLY A C 1
1055
+ ATOM 627 O O . GLY A 1 77 ? 5.312 4.946 16.096 1.00 15.15 ? 77 GLY A O 1
1056
+ ATOM 628 N N . VAL A 1 78 ? 3.378 3.844 16.512 1.00 20.84 ? 78 VAL A N 1
1057
+ ATOM 629 C CA . VAL A 1 78 ? 4.073 2.627 16.975 1.00 18.75 ? 78 VAL A CA 1
1058
+ ATOM 630 C C . VAL A 1 78 ? 3.519 1.382 16.274 1.00 21.60 ? 78 VAL A C 1
1059
+ ATOM 631 O O . VAL A 1 78 ? 2.293 1.241 16.091 1.00 26.13 ? 78 VAL A O 1
1060
+ ATOM 632 C CB . VAL A 1 78 ? 3.966 2.469 18.497 1.00 25.34 ? 78 VAL A CB 1
1061
+ ATOM 633 C CG1 . VAL A 1 78 ? 4.365 1.054 18.965 1.00 19.96 ? 78 VAL A CG1 1
1062
+ ATOM 634 C CG2 . VAL A 1 78 ? 4.847 3.477 19.161 1.00 22.27 ? 78 VAL A CG2 1
1063
+ ATOM 635 N N . CYS A 1 79 ? 4.394 0.482 15.862 1.00 18.36 ? 79 CYS A N 1
1064
+ ATOM 636 C CA . CYS A 1 79 ? 3.897 -0.818 15.439 0.58 20.35 ? 79 CYS A CA 1
1065
+ ATOM 637 C C . CYS A 1 79 ? 4.631 -1.971 16.058 1.00 23.45 ? 79 CYS A C 1
1066
+ ATOM 638 O O . CYS A 1 79 ? 5.872 -1.940 16.308 1.00 18.05 ? 79 CYS A O 1
1067
+ ATOM 639 C CB . CYS A 1 79 ? 3.807 -0.947 13.932 0.58 19.29 ? 79 CYS A CB 1
1068
+ ATOM 640 S SG . CYS A 1 79 ? 2.671 0.290 13.360 0.58 20.85 ? 79 CYS A SG 1
1069
+ ATOM 641 N N . GLN A 1 80 ? 3.825 -2.970 16.348 1.00 17.81 ? 80 GLN A N 1
1070
+ ATOM 642 C CA . GLN A 1 80 ? 4.239 -4.173 17.020 1.00 18.26 ? 80 GLN A CA 1
1071
+ ATOM 643 C C . GLN A 1 80 ? 3.811 -5.373 16.210 1.00 24.62 ? 80 GLN A C 1
1072
+ ATOM 644 O O . GLN A 1 80 ? 2.655 -5.468 15.729 1.00 18.79 ? 80 GLN A O 1
1073
+ ATOM 645 C CB . GLN A 1 80 ? 3.583 -4.229 18.379 1.00 22.13 ? 80 GLN A CB 1
1074
+ ATOM 646 C CG . GLN A 1 80 ? 4.128 -3.191 19.337 1.00 32.90 ? 80 GLN A CG 1
1075
+ ATOM 647 C CD . GLN A 1 80 ? 3.744 -3.502 20.777 1.00 38.63 ? 80 GLN A CD 1
1076
+ ATOM 648 O OE1 . GLN A 1 80 ? 4.613 -3.682 21.633 1.00 45.25 ? 80 GLN A OE1 1
1077
+ ATOM 649 N NE2 . GLN A 1 80 ? 2.437 -3.581 21.042 1.00 46.24 ? 80 GLN A NE2 1
1078
+ ATOM 650 N N . ARG A 1 81 ? 4.733 -6.308 16.073 1.00 19.59 ? 81 ARG A N 1
1079
+ ATOM 651 C CA . ARG A 1 81 ? 4.497 -7.476 15.251 1.00 24.56 ? 81 ARG A CA 1
1080
+ ATOM 652 C C . ARG A 1 81 ? 5.309 -8.674 15.756 1.00 23.85 ? 81 ARG A C 1
1081
+ ATOM 653 O O . ARG A 1 81 ? 6.491 -8.537 16.021 1.00 19.66 ? 81 ARG A O 1
1082
+ ATOM 654 C CB . ARG A 1 81 ? 4.936 -7.138 13.840 1.00 24.27 ? 81 ARG A CB 1
1083
+ ATOM 655 C CG . ARG A 1 81 ? 5.001 -8.288 12.945 1.00 24.72 ? 81 ARG A CG 1
1084
+ ATOM 656 C CD . ARG A 1 81 ? 5.193 -7.794 11.570 1.00 23.05 ? 81 ARG A CD 1
1085
+ ATOM 657 N NE . ARG A 1 81 ? 4.197 -6.821 11.140 1.00 21.72 ? 81 ARG A NE 1
1086
+ ATOM 658 C CZ . ARG A 1 81 ? 2.907 -7.113 10.890 1.00 29.84 ? 81 ARG A CZ 1
1087
+ ATOM 659 N NH1 . ARG A 1 81 ? 2.455 -8.361 11.034 1.00 25.91 ? 81 ARG A NH1 1
1088
+ ATOM 660 N NH2 . ARG A 1 81 ? 2.063 -6.157 10.475 1.00 22.53 ? 81 ARG A NH2 1
1089
+ ATOM 661 N N . GLN A 1 82 ? 4.692 -9.845 15.825 1.00 23.93 ? 82 GLN A N 1
1090
+ ATOM 662 C CA . GLN A 1 82 ? 5.464 -11.036 16.160 1.00 27.71 ? 82 GLN A CA 1
1091
+ ATOM 663 C C . GLN A 1 82 ? 6.212 -11.483 14.923 1.00 23.63 ? 82 GLN A C 1
1092
+ ATOM 664 O O . GLN A 1 82 ? 5.628 -11.643 13.851 1.00 22.84 ? 82 GLN A O 1
1093
+ ATOM 665 C CB . GLN A 1 82 ? 4.563 -12.152 16.651 1.00 29.16 ? 82 GLN A CB 1
1094
+ ATOM 666 C CG . GLN A 1 82 ? 4.489 -12.286 18.182 1.00 31.60 ? 82 GLN A CG 1
1095
+ ATOM 667 C CD . GLN A 1 82 ? 3.406 -13.264 18.629 1.00 34.71 ? 82 GLN A CD 1
1096
+ ATOM 668 O OE1 . GLN A 1 82 ? 2.490 -13.624 17.845 1.00 43.80 ? 82 GLN A OE1 1
1097
+ ATOM 669 N NE2 . GLN A 1 82 ? 3.501 -13.716 19.875 1.00 33.30 ? 82 GLN A NE2 1
1098
+ ATOM 670 N N . ILE A 1 83 ? 7.526 -11.689 15.056 1.00 16.48 ? 83 ILE A N 1
1099
+ ATOM 671 C CA . ILE A 1 83 ? 8.296 -12.062 13.887 1.00 16.57 ? 83 ILE A CA 1
1100
+ ATOM 672 C C . ILE A 1 83 ? 8.261 -13.571 13.607 1.00 18.75 ? 83 ILE A C 1
1101
+ ATOM 673 O O . ILE A 1 83 ? 8.239 -14.398 14.526 1.00 20.54 ? 83 ILE A O 1
1102
+ ATOM 674 C CB . ILE A 1 83 ? 9.727 -11.574 14.012 1.00 12.50 ? 83 ILE A CB 1
1103
+ ATOM 675 C CG1 . ILE A 1 83 ? 10.331 -12.206 15.279 1.00 18.48 ? 83 ILE A CG1 1
1104
+ ATOM 676 C CG2 . ILE A 1 83 ? 9.724 -10.078 14.172 1.00 16.96 ? 83 ILE A CG2 1
1105
+ ATOM 677 C CD1 . ILE A 1 83 ? 11.859 -12.021 15.397 1.00 16.52 ? 83 ILE A CD1 1
1106
+ ATOM 678 N N . LYS A 1 84 ? 8.215 -13.887 12.327 1.00 16.96 ? 84 LYS A N 1
1107
+ ATOM 679 C CA . LYS A 1 84 ? 8.031 -15.226 11.800 1.00 17.44 ? 84 LYS A CA 1
1108
+ ATOM 680 C C . LYS A 1 84 ? 9.181 -15.527 10.868 1.00 23.25 ? 84 LYS A C 1
1109
+ ATOM 681 O O . LYS A 1 84 ? 9.690 -14.626 10.175 1.00 20.42 ? 84 LYS A O 1
1110
+ ATOM 682 C CB . LYS A 1 84 ? 6.718 -15.322 11.049 1.00 25.11 ? 84 LYS A CB 1
1111
+ ATOM 683 C CG . LYS A 1 84 ? 5.582 -14.836 11.878 1.00 22.83 ? 84 LYS A CG 1
1112
+ ATOM 684 C CD . LYS A 1 84 ? 5.240 -15.788 13.001 1.00 23.39 ? 84 LYS A CD 1
1113
+ ATOM 685 C CE . LYS A 1 84 ? 4.367 -15.011 13.995 1.00 31.76 ? 84 LYS A CE 1
1114
+ ATOM 686 N NZ . LYS A 1 84 ? 3.297 -15.843 14.630 1.00 30.03 ? 84 LYS A NZ 1
1115
+ ATOM 687 N N . VAL A 1 85 ? 9.617 -16.779 10.851 1.00 21.36 ? 85 VAL A N 1
1116
+ ATOM 688 C CA . VAL A 1 85 ? 10.719 -17.143 9.950 1.00 22.42 ? 85 VAL A CA 1
1117
+ ATOM 689 C C . VAL A 1 85 ? 10.367 -16.714 8.513 1.00 19.63 ? 85 VAL A C 1
1118
+ ATOM 690 O O . VAL A 1 85 ? 9.202 -16.706 8.119 1.00 23.15 ? 85 VAL A O 1
1119
+ ATOM 691 C CB . VAL A 1 85 ? 11.012 -18.665 9.974 1.00 30.47 ? 85 VAL A CB 1
1120
+ ATOM 692 C CG1 . VAL A 1 85 ? 12.238 -18.997 9.134 1.00 34.69 ? 85 VAL A CG1 1
1121
+ ATOM 693 C CG2 . VAL A 1 85 ? 11.222 -19.123 11.407 1.00 28.73 ? 85 VAL A CG2 1
1122
+ ATOM 694 N N . GLY A 1 86 ? 11.391 -16.371 7.746 1.00 20.15 ? 86 GLY A N 1
1123
+ ATOM 695 C CA . GLY A 1 86 ? 11.203 -15.965 6.366 1.00 20.62 ? 86 GLY A CA 1
1124
+ ATOM 696 C C . GLY A 1 86 ? 11.341 -14.476 6.113 1.00 22.79 ? 86 GLY A C 1
1125
+ ATOM 697 O O . GLY A 1 86 ? 11.773 -13.711 6.970 1.00 15.18 ? 86 GLY A O 1
1126
+ ATOM 698 N N . THR A 1 87 ? 10.961 -14.061 4.912 1.00 26.24 ? 87 THR A N 1
1127
+ ATOM 699 C CA . THR A 1 87 ? 11.093 -12.664 4.526 1.00 18.11 ? 87 THR A CA 1
1128
+ ATOM 700 C C . THR A 1 87 ? 9.690 -12.079 4.353 1.00 17.78 ? 87 THR A C 1
1129
+ ATOM 701 O O . THR A 1 87 ? 8.818 -12.682 3.705 1.00 20.75 ? 87 THR A O 1
1130
+ ATOM 702 C CB . THR A 1 87 ? 11.944 -12.530 3.265 1.00 17.08 ? 87 THR A CB 1
1131
+ ATOM 703 O OG1 . THR A 1 87 ? 13.286 -12.895 3.589 1.00 20.66 ? 87 THR A OG1 1
1132
+ ATOM 704 C CG2 . THR A 1 87 ? 11.970 -11.077 2.749 1.00 15.18 ? 87 THR A CG2 1
1133
+ ATOM 705 N N . HIS A 1 88 ? 9.465 -10.904 4.939 1.00 15.05 ? 88 HIS A N 1
1134
+ ATOM 706 C CA . HIS A 1 88 ? 8.080 -10.340 5.032 1.00 13.44 ? 88 HIS A CA 1
1135
+ ATOM 707 C C . HIS A 1 88 ? 8.108 -8.859 4.706 1.00 14.85 ? 88 HIS A C 1
1136
+ ATOM 708 O O . HIS A 1 88 ? 9.034 -8.152 5.116 1.00 15.48 ? 88 HIS A O 1
1137
+ ATOM 709 C CB . HIS A 1 88 ? 7.534 -10.542 6.460 1.00 18.30 ? 88 HIS A CB 1
1138
+ ATOM 710 C CG . HIS A 1 88 ? 7.566 -11.973 6.871 1.00 22.21 ? 88 HIS A CG 1
1139
+ ATOM 711 N ND1 . HIS A 1 88 ? 6.601 -12.880 6.466 1.00 22.69 ? 88 HIS A ND1 1
1140
+ ATOM 712 C CD2 . HIS A 1 88 ? 8.508 -12.686 7.531 1.00 18.28 ? 88 HIS A CD2 1
1141
+ ATOM 713 C CE1 . HIS A 1 88 ? 6.930 -14.083 6.905 1.00 26.86 ? 88 HIS A CE1 1
1142
+ ATOM 714 N NE2 . HIS A 1 88 ? 8.081 -13.990 7.553 1.00 25.45 ? 88 HIS A NE2 1
1143
+ ATOM 715 N N . GLU A 1 89 ? 7.123 -8.386 3.943 1.00 15.14 ? 89 GLU A N 1
1144
+ ATOM 716 C CA . GLU A 1 89 ? 6.932 -6.965 3.728 1.00 15.87 ? 89 GLU A CA 1
1145
+ ATOM 717 C C . GLU A 1 89 ? 5.722 -6.547 4.517 1.00 11.22 ? 89 GLU A C 1
1146
+ ATOM 718 O O . GLU A 1 89 ? 4.642 -7.212 4.493 1.00 15.65 ? 89 GLU A O 1
1147
+ ATOM 719 C CB . GLU A 1 89 ? 6.709 -6.638 2.257 1.00 14.27 ? 89 GLU A CB 1
1148
+ ATOM 720 C CG . GLU A 1 89 ? 7.795 -7.134 1.338 1.00 16.92 ? 89 GLU A CG 1
1149
+ ATOM 721 C CD . GLU A 1 89 ? 7.347 -7.078 -0.120 1.00 21.49 ? 89 GLU A CD 1
1150
+ ATOM 722 O OE1 . GLU A 1 89 ? 6.857 -5.993 -0.529 1.00 23.84 ? 89 GLU A OE1 1
1151
+ ATOM 723 O OE2 . GLU A 1 89 ? 7.446 -8.107 -0.826 1.00 22.75 ? 89 GLU A OE2 1
1152
+ ATOM 724 N N . HIS A 1 90 ? 5.855 -5.432 5.210 1.00 9.19 ? 90 HIS A N 1
1153
+ ATOM 725 C CA . HIS A 1 90 ? 4.776 -4.927 6.051 1.00 12.78 ? 90 HIS A CA 1
1154
+ ATOM 726 C C . HIS A 1 90 ? 4.548 -3.439 6.000 1.00 13.45 ? 90 HIS A C 1
1155
+ ATOM 727 O O . HIS A 1 90 ? 5.398 -2.655 5.579 1.00 11.13 ? 90 HIS A O 1
1156
+ ATOM 728 C CB . HIS A 1 90 ? 4.997 -5.332 7.541 1.00 11.56 ? 90 HIS A CB 1
1157
+ ATOM 729 C CG . HIS A 1 90 ? 4.847 -6.804 7.797 1.00 11.01 ? 90 HIS A CG 1
1158
+ ATOM 730 N ND1 . HIS A 1 90 ? 3.618 -7.440 7.693 1.00 16.69 ? 90 HIS A ND1 1
1159
+ ATOM 731 C CD2 . HIS A 1 90 ? 5.743 -7.765 8.144 1.00 12.99 ? 90 HIS A CD2 1
1160
+ ATOM 732 C CE1 . HIS A 1 90 ? 3.781 -8.729 7.945 1.00 21.33 ? 90 HIS A CE1 1
1161
+ ATOM 733 N NE2 . HIS A 1 90 ? 5.061 -8.950 8.225 1.00 16.93 ? 90 HIS A NE2 1
1162
+ ATOM 734 N N . ASP A 1 91 ? 3.332 -3.045 6.400 1.00 11.40 ? 91 ASP A N 1
1163
+ ATOM 735 C CA . ASP A 1 91 ? 2.968 -1.655 6.557 1.00 11.67 ? 91 ASP A CA 1
1164
+ ATOM 736 C C . ASP A 1 91 ? 2.655 -1.356 7.999 1.00 17.09 ? 91 ASP A C 1
1165
+ ATOM 737 O O . ASP A 1 91 ? 2.023 -2.179 8.725 1.00 19.53 ? 91 ASP A O 1
1166
+ ATOM 738 C CB . ASP A 1 91 ? 1.687 -1.344 5.759 1.00 12.75 ? 91 ASP A CB 1
1167
+ ATOM 739 C CG . ASP A 1 91 ? 1.809 -1.756 4.303 1.00 19.83 ? 91 ASP A CG 1
1168
+ ATOM 740 O OD1 . ASP A 1 91 ? 0.826 -2.278 3.761 1.00 29.63 ? 91 ASP A OD1 1
1169
+ ATOM 741 O OD2 . ASP A 1 91 ? 2.875 -1.566 3.669 1.00 19.52 ? 91 ASP A OD2 1
1170
+ ATOM 742 N N . CYS A 1 92 ? 3.072 -0.176 8.427 1.00 12.11 ? 92 CYS A N 1
1171
+ ATOM 743 C CA . CYS A 1 92 ? 2.764 0.286 9.762 1.00 17.23 ? 92 CYS A CA 1
1172
+ ATOM 744 C C . CYS A 1 92 ? 2.054 1.666 9.706 1.00 14.56 ? 92 CYS A C 1
1173
+ ATOM 745 O O . CYS A 1 92 ? 2.606 2.690 9.254 1.00 15.02 ? 92 CYS A O 1
1174
+ ATOM 746 C CB . CYS A 1 92 ? 4.063 0.309 10.560 1.00 16.35 ? 92 CYS A CB 1
1175
+ ATOM 747 S SG . CYS A 1 92 ? 3.828 1.206 12.022 1.00 21.33 ? 92 CYS A SG 1
1176
+ ATOM 748 N N . TYR A 1 93 ? 0.786 1.746 10.144 1.00 10.52 ? 93 TYR A N 1
1177
+ ATOM 749 C CA . TYR A 1 93 ? 0.114 2.999 10.023 1.00 9.63 ? 93 TYR A CA 1
1178
+ ATOM 750 C C . TYR A 1 93 ? 0.381 3.911 11.199 1.00 9.35 ? 93 TYR A C 1
1179
+ ATOM 751 O O . TYR A 1 93 ? 0.297 3.501 12.371 1.00 19.23 ? 93 TYR A O 1
1180
+ ATOM 752 C CB . TYR A 1 93 ? -1.414 2.701 9.888 1.00 9.06 ? 93 TYR A CB 1
1181
+ ATOM 753 C CG . TYR A 1 93 ? -1.660 1.676 8.794 1.00 10.08 ? 93 TYR A CG 1
1182
+ ATOM 754 C CD1 . TYR A 1 93 ? -1.644 2.058 7.445 1.00 9.53 ? 93 TYR A CD1 1
1183
+ ATOM 755 C CD2 . TYR A 1 93 ? -1.827 0.298 9.078 1.00 12.17 ? 93 TYR A CD2 1
1184
+ ATOM 756 C CE1 . TYR A 1 93 ? -1.763 1.125 6.418 1.00 12.15 ? 93 TYR A CE1 1
1185
+ ATOM 757 C CE2 . TYR A 1 93 ? -1.954 -0.669 8.026 1.00 8.55 ? 93 TYR A CE2 1
1186
+ ATOM 758 C CZ . TYR A 1 93 ? -1.934 -0.214 6.715 1.00 7.66 ? 93 TYR A CZ 1
1187
+ ATOM 759 O OH . TYR A 1 93 ? -2.066 -1.012 5.634 1.00 15.93 ? 93 TYR A OH 1
1188
+ ATOM 760 N N . LEU A 1 94 ? 0.724 5.131 10.880 1.00 9.61 ? 94 LEU A N 1
1189
+ ATOM 761 C CA . LEU A 1 94 ? 1.091 6.075 11.923 1.00 15.44 ? 94 LEU A CA 1
1190
+ ATOM 762 C C . LEU A 1 94 ? -0.189 6.817 12.310 1.00 20.70 ? 94 LEU A C 1
1191
+ ATOM 763 O O . LEU A 1 94 ? -0.957 7.234 11.432 1.00 16.51 ? 94 LEU A O 1
1192
+ ATOM 764 C CB . LEU A 1 94 ? 2.194 6.996 11.405 1.00 13.65 ? 94 LEU A CB 1
1193
+ ATOM 765 C CG . LEU A 1 94 ? 3.412 6.200 10.878 1.00 18.52 ? 94 LEU A CG 1
1194
+ ATOM 766 C CD1 . LEU A 1 94 ? 4.455 7.156 10.261 1.00 15.39 ? 94 LEU A CD1 1
1195
+ ATOM 767 C CD2 . LEU A 1 94 ? 4.045 5.242 12.009 1.00 12.78 ? 94 LEU A CD2 1
1196
+ ATOM 768 N N . LYS A 1 95 ? -0.476 6.878 13.610 1.00 23.09 ? 95 LYS A N 1
1197
+ ATOM 769 C CA . LYS A 1 95 ? -1.736 7.489 14.048 1.00 23.19 ? 95 LYS A CA 1
1198
+ ATOM 770 C C . LYS A 1 95 ? -1.790 8.912 13.511 1.00 27.17 ? 95 LYS A C 1
1199
+ ATOM 771 O O . LYS A 1 95 ? -2.859 9.419 13.164 1.00 19.10 ? 95 LYS A O 1
1200
+ ATOM 772 C CB . LYS A 1 95 ? -1.916 7.476 15.584 1.00 27.47 ? 95 LYS A CB 1
1201
+ ATOM 773 C CG . LYS A 1 95 ? -2.995 8.463 16.112 1.00 27.97 ? 95 LYS A CG 1
1202
+ ATOM 774 C CD . LYS A 1 95 ? -4.455 8.001 15.792 1.00 29.53 ? 95 LYS A CD 1
1203
+ ATOM 775 C CE . LYS A 1 95 ? -5.368 9.203 15.502 1.00 30.40 ? 95 LYS A CE 1
1204
+ ATOM 776 N NZ . LYS A 1 95 ? -6.879 8.873 15.631 1.00 17.85 ? 95 LYS A NZ 1
1205
+ ATOM 777 N N . GLU A 1 96 ? -0.635 9.571 13.482 1.00 33.74 ? 96 GLU A N 1
1206
+ ATOM 778 C CA . GLU A 1 96 ? -0.634 11.009 13.278 1.00 38.19 ? 96 GLU A CA 1
1207
+ ATOM 779 C C . GLU A 1 96 ? -0.706 11.240 11.785 1.00 24.21 ? 96 GLU A C 1
1208
+ ATOM 780 O O . GLU A 1 96 ? -0.683 12.380 11.306 1.00 32.40 ? 96 GLU A O 1
1209
+ ATOM 781 C CB . GLU A 1 96 ? 0.585 11.702 13.963 1.00 33.75 ? 96 GLU A CB 1
1210
+ ATOM 782 C CG . GLU A 1 96 ? 0.517 11.812 15.529 1.00 40.83 ? 96 GLU A CG 1
1211
+ ATOM 783 C CD . GLU A 1 96 ? -0.842 12.336 16.086 1.00 39.53 ? 96 GLU A CD 1
1212
+ ATOM 784 O OE1 . GLU A 1 96 ? -1.346 13.377 15.602 1.00 38.77 ? 96 GLU A OE1 1
1213
+ ATOM 785 O OE2 . GLU A 1 96 ? -1.401 11.706 17.023 1.00 48.85 ? 96 GLU A OE2 1
1214
+ ATOM 786 N N . GLY A 1 97 ? -0.838 10.132 11.058 1.00 45.47 ? 97 GLY A N 1
1215
+ ATOM 787 C CA . GLY A 1 97 ? -0.898 10.129 9.606 1.00 48.32 ? 97 GLY A CA 1
1216
+ ATOM 788 C C . GLY A 1 97 ? 0.415 9.627 8.991 1.00 41.58 ? 97 GLY A C 1
1217
+ ATOM 789 O O . GLY A 1 97 ? 1.538 9.881 9.509 1.00 43.34 ? 97 GLY A O 1
1218
+ ATOM 790 N N . GLY A 1 98 ? 0.281 8.926 7.867 1.00 17.86 ? 98 GLY A N 1
1219
+ ATOM 791 C CA . GLY A 1 98 ? 1.460 8.384 7.213 1.00 15.18 ? 98 GLY A CA 1
1220
+ ATOM 792 C C . GLY A 1 98 ? 1.565 6.893 7.372 1.00 11.99 ? 98 GLY A C 1
1221
+ ATOM 793 O O . GLY A 1 98 ? 0.915 6.293 8.230 1.00 13.52 ? 98 GLY A O 1
1222
+ ATOM 794 N N . THR A 1 99 ? 2.364 6.262 6.497 1.00 9.06 ? 99 THR A N 1
1223
+ ATOM 795 C CA . THR A 1 99 ? 2.588 4.823 6.592 1.00 5.65 ? 99 THR A CA 1
1224
+ ATOM 796 C C . THR A 1 99 ? 4.082 4.547 6.539 1.00 11.17 ? 99 THR A C 1
1225
+ ATOM 797 O O . THR A 1 99 ? 4.772 5.023 5.639 1.00 12.00 ? 99 THR A O 1
1226
+ ATOM 798 C CB . THR A 1 99 ? 1.913 4.065 5.423 1.00 11.49 ? 99 THR A CB 1
1227
+ ATOM 799 O OG1 . THR A 1 99 ? 0.520 4.438 5.413 1.00 13.61 ? 99 THR A OG1 1
1228
+ ATOM 800 C CG2 . THR A 1 99 ? 2.017 2.528 5.608 1.00 13.20 ? 99 THR A CG2 1
1229
+ ATOM 801 N N . LEU A 1 100 ? 4.521 3.730 7.480 1.00 8.45 ? 100 LEU A N 1
1230
+ ATOM 802 C CA . LEU A 1 100 ? 5.924 3.270 7.458 1.00 6.87 ? 100 LEU A CA 1
1231
+ ATOM 803 C C . LEU A 1 100 ? 5.851 1.889 6.789 1.00 10.56 ? 100 LEU A C 1
1232
+ ATOM 804 O O . LEU A 1 100 ? 5.078 0.981 7.223 1.00 12.70 ? 100 LEU A O 1
1233
+ ATOM 805 C CB . LEU A 1 100 ? 6.386 3.044 8.900 1.00 11.09 ? 100 LEU A CB 1
1234
+ ATOM 806 C CG . LEU A 1 100 ? 7.744 2.326 9.051 1.00 8.66 ? 100 LEU A CG 1
1235
+ ATOM 807 C CD1 . LEU A 1 100 ? 9.021 3.126 8.564 1.00 10.15 ? 100 LEU A CD1 1
1236
+ ATOM 808 C CD2 . LEU A 1 100 ? 7.948 1.933 10.575 1.00 11.50 ? 100 LEU A CD2 1
1237
+ ATOM 809 N N . HIS A 1 101 ? 6.679 1.665 5.765 1.00 9.19 ? 101 HIS A N 1
1238
+ ATOM 810 C CA . HIS A 1 101 ? 6.791 0.369 5.120 1.00 6.54 ? 101 HIS A CA 1
1239
+ ATOM 811 C C . HIS A 1 101 ? 8.149 -0.195 5.460 1.00 8.97 ? 101 HIS A C 1
1240
+ ATOM 812 O O . HIS A 1 101 ? 9.085 0.570 5.638 1.00 9.07 ? 101 HIS A O 1
1241
+ ATOM 813 C CB . HIS A 1 101 ? 6.719 0.522 3.586 1.00 9.91 ? 101 HIS A CB 1
1242
+ ATOM 814 C CG . HIS A 1 101 ? 5.508 1.257 3.099 1.00 11.63 ? 101 HIS A CG 1
1243
+ ATOM 815 N ND1 . HIS A 1 101 ? 4.277 0.653 3.050 1.00 13.66 ? 101 HIS A ND1 1
1244
+ ATOM 816 C CD2 . HIS A 1 101 ? 5.335 2.523 2.641 1.00 13.33 ? 101 HIS A CD2 1
1245
+ ATOM 817 C CE1 . HIS A 1 101 ? 3.376 1.519 2.607 1.00 14.73 ? 101 HIS A CE1 1
1246
+ ATOM 818 N NE2 . HIS A 1 101 ? 3.985 2.657 2.340 1.00 15.69 ? 101 HIS A NE2 1
1247
+ ATOM 819 N N . TYR A 1 102 ? 8.216 -1.485 5.637 1.00 12.44 ? 102 TYR A N 1
1248
+ ATOM 820 C CA . TYR A 1 102 ? 9.495 -2.096 6.045 1.00 7.60 ? 102 TYR A CA 1
1249
+ ATOM 821 C C . TYR A 1 102 ? 9.477 -3.544 5.660 1.00 10.05 ? 102 TYR A C 1
1250
+ ATOM 822 O O . TYR A 1 102 ? 8.437 -4.158 5.341 1.00 11.58 ? 102 TYR A O 1
1251
+ ATOM 823 C CB . TYR A 1 102 ? 9.691 -1.925 7.549 1.00 7.40 ? 102 TYR A CB 1
1252
+ ATOM 824 C CG . TYR A 1 102 ? 8.650 -2.634 8.403 1.00 9.96 ? 102 TYR A CG 1
1253
+ ATOM 825 C CD1 . TYR A 1 102 ? 8.944 -3.915 8.955 1.00 14.33 ? 102 TYR A CD1 1
1254
+ ATOM 826 C CD2 . TYR A 1 102 ? 7.413 -2.051 8.687 1.00 15.85 ? 102 TYR A CD2 1
1255
+ ATOM 827 C CE1 . TYR A 1 102 ? 8.057 -4.559 9.780 1.00 13.99 ? 102 TYR A CE1 1
1256
+ ATOM 828 C CE2 . TYR A 1 102 ? 6.472 -2.718 9.532 1.00 13.12 ? 102 TYR A CE2 1
1257
+ ATOM 829 C CZ . TYR A 1 102 ? 6.816 -3.986 10.068 1.00 14.22 ? 102 TYR A CZ 1
1258
+ ATOM 830 O OH . TYR A 1 102 ? 5.952 -4.678 10.918 1.00 18.46 ? 102 TYR A OH 1
1259
+ ATOM 831 N N . MET A 1 103 ? 10.653 -4.145 5.701 1.00 6.73 ? 103 MET A N 1
1260
+ ATOM 832 C CA . MET A 1 103 ? 10.800 -5.532 5.402 1.00 7.82 ? 103 MET A CA 1
1261
+ ATOM 833 C C . MET A 1 103 ? 11.584 -6.104 6.562 1.00 9.45 ? 103 MET A C 1
1262
+ ATOM 834 O O . MET A 1 103 ? 12.373 -5.407 7.214 1.00 11.40 ? 103 MET A O 1
1263
+ ATOM 835 C CB . MET A 1 103 ? 11.570 -5.782 4.101 1.00 16.34 ? 103 MET A CB 1
1264
+ ATOM 836 C CG . MET A 1 103 ? 10.696 -5.456 2.944 1.00 18.27 ? 103 MET A CG 1
1265
+ ATOM 837 S SD . MET A 1 103 ? 11.512 -5.933 1.429 1.00 15.91 ? 103 MET A SD 1
1266
+ ATOM 838 C CE . MET A 1 103 ? 11.666 -7.719 1.629 1.00 18.06 ? 103 MET A CE 1
1267
+ ATOM 839 N N . TYR A 1 104 ? 11.346 -7.374 6.801 1.00 10.35 ? 104 TYR A N 1
1268
+ ATOM 840 C CA . TYR A 1 104 ? 12.326 -8.071 7.664 1.00 12.26 ? 104 TYR A CA 1
1269
+ ATOM 841 C C . TYR A 1 104 ? 12.514 -9.465 7.215 1.00 9.90 ? 104 TYR A C 1
1270
+ ATOM 842 O O . TYR A 1 104 ? 11.656 -10.080 6.584 1.00 11.99 ? 104 TYR A O 1
1271
+ ATOM 843 C CB . TYR A 1 104 ? 11.921 -7.996 9.159 1.00 12.52 ? 104 TYR A CB 1
1272
+ ATOM 844 C CG . TYR A 1 104 ? 10.841 -8.974 9.527 1.00 8.67 ? 104 TYR A CG 1
1273
+ ATOM 845 C CD1 . TYR A 1 104 ? 11.154 -10.286 9.922 1.00 10.19 ? 104 TYR A CD1 1
1274
+ ATOM 846 C CD2 . TYR A 1 104 ? 9.498 -8.603 9.474 1.00 10.78 ? 104 TYR A CD2 1
1275
+ ATOM 847 C CE1 . TYR A 1 104 ? 10.111 -11.192 10.265 1.00 13.40 ? 104 TYR A CE1 1
1276
+ ATOM 848 C CE2 . TYR A 1 104 ? 8.485 -9.470 9.812 1.00 15.59 ? 104 TYR A CE2 1
1277
+ ATOM 849 C CZ . TYR A 1 104 ? 8.804 -10.767 10.201 1.00 14.98 ? 104 TYR A CZ 1
1278
+ ATOM 850 O OH . TYR A 1 104 ? 7.737 -11.600 10.510 1.00 17.06 ? 104 TYR A OH 1
1279
+ ATOM 851 N N . THR A 1 105 ? 13.695 -9.992 7.520 1.00 14.57 ? 105 THR A N 1
1280
+ ATOM 852 C CA . THR A 1 105 ? 14.032 -11.392 7.291 1.00 13.11 ? 105 THR A CA 1
1281
+ ATOM 853 C C . THR A 1 105 ? 14.442 -12.043 8.626 1.00 14.24 ? 105 THR A C 1
1282
+ ATOM 854 O O . THR A 1 105 ? 15.333 -11.524 9.309 1.00 15.88 ? 105 THR A O 1
1283
+ ATOM 855 C CB . THR A 1 105 ? 15.172 -11.512 6.258 1.00 17.49 ? 105 THR A CB 1
1284
+ ATOM 856 O OG1 . THR A 1 105 ? 14.656 -11.153 4.954 1.00 18.88 ? 105 THR A OG1 1
1285
+ ATOM 857 C CG2 . THR A 1 105 ? 15.638 -12.958 6.165 1.00 17.65 ? 105 THR A CG2 1
1286
+ ATOM 858 N N . LEU A 1 106 ? 13.764 -13.132 9.006 1.00 16.49 ? 106 LEU A N 1
1287
+ ATOM 859 C CA . LEU A 1 106 ? 14.188 -13.930 10.150 1.00 21.63 ? 106 LEU A CA 1
1288
+ ATOM 860 C C . LEU A 1 106 ? 14.692 -15.274 9.626 1.00 14.37 ? 106 LEU A C 1
1289
+ ATOM 861 O O . LEU A 1 106 ? 13.964 -16.047 8.975 1.00 18.76 ? 106 LEU A O 1
1290
+ ATOM 862 C CB . LEU A 1 106 ? 13.048 -14.115 11.139 1.00 20.00 ? 106 LEU A CB 1
1291
+ ATOM 863 C CG . LEU A 1 106 ? 13.390 -14.900 12.424 1.00 15.12 ? 106 LEU A CG 1
1292
+ ATOM 864 C CD1 . LEU A 1 106 ? 14.309 -14.141 13.321 1.00 21.42 ? 106 LEU A CD1 1
1293
+ ATOM 865 C CD2 . LEU A 1 106 ? 12.032 -15.118 13.081 1.00 18.05 ? 106 LEU A CD2 1
1294
+ ATOM 866 N N . SER A 1 107 ? 15.965 -15.525 9.916 1.00 26.18 ? 107 SER A N 1
1295
+ ATOM 867 C CA . SER A 1 107 ? 16.673 -16.604 9.279 1.00 26.13 ? 107 SER A CA 1
1296
+ ATOM 868 C C . SER A 1 107 ? 17.505 -17.365 10.307 1.00 30.50 ? 107 SER A C 1
1297
+ ATOM 869 O O . SER A 1 107 ? 17.892 -16.825 11.364 1.00 29.90 ? 107 SER A O 1
1298
+ ATOM 870 C CB . SER A 1 107 ? 17.631 -16.029 8.227 1.00 25.74 ? 107 SER A CB 1
1299
+ ATOM 871 O OG . SER A 1 107 ? 18.547 -15.154 8.877 1.00 30.08 ? 107 SER A OG 1
1300
+ ATOM 872 N N . VAL A 1 108 ? 17.780 -18.614 9.938 1.00 41.28 ? 108 VAL A N 1
1301
+ ATOM 873 C CA . VAL A 1 108 ? 18.716 -19.525 10.608 1.00 47.02 ? 108 VAL A CA 1
1302
+ ATOM 874 C C . VAL A 1 108 ? 17.946 -20.413 11.569 1.00 46.84 ? 108 VAL A C 1
1303
+ ATOM 875 O O . VAL A 1 108 ? 17.089 -21.187 11.127 1.00 57.89 ? 108 VAL A O 1
1304
+ ATOM 876 C CB . VAL A 1 108 ? 19.939 -18.822 11.275 1.00 49.89 ? 108 VAL A CB 1
1305
+ ATOM 877 C CG1 . VAL A 1 108 ? 20.794 -19.840 11.998 1.00 60.50 ? 108 VAL A CG1 1
1306
+ ATOM 878 C CG2 . VAL A 1 108 ? 20.778 -18.082 10.236 1.00 37.45 ? 108 VAL A CG2 1
1307
+ #
1308
+ loop_
1309
+ _pdbx_audit_revision_history.ordinal
1310
+ _pdbx_audit_revision_history.data_content_type
1311
+ _pdbx_audit_revision_history.major_revision
1312
+ _pdbx_audit_revision_history.minor_revision
1313
+ _pdbx_audit_revision_history.revision_date
1314
+ 1 'Structure model' 1 0 2013-10-23
1315
+ 2 'Structure model' 1 1 2014-03-12
1316
+ #
mmcifs/3W5F_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/3W5S_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/3W6B_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/3W6S_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/3W77_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/3W7T_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/3WA0_G.cif ADDED
@@ -0,0 +1,255 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_3WA0_G
2
+ #
3
+ _pdbx_database_status.entry_id 3WA0_G
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 DEEVELILGDT
21
+ _entity_poly.pdbx_seq_one_letter_code_can DEEVELILGDT
22
+ _entity_poly.pdbx_strand_id G
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 ASP n
31
+ 1 2 GLU n
32
+ 1 3 GLU n
33
+ 1 4 VAL n
34
+ 1 5 GLU n
35
+ 1 6 LEU n
36
+ 1 7 ILE n
37
+ 1 8 LEU n
38
+ 1 9 GLY n
39
+ 1 10 ASP n
40
+ 1 11 THR n
41
+ #
42
+ _entity.id 1
43
+ _entity.type polymer
44
+ _entity.src_method man
45
+ _entity.pdbx_description ASP-GLU-GLU-VAL-GLU-LEU-ILE-LEU-GLY-ASP-THR
46
+ _entity.formula_weight 1232.292
47
+ _entity.pdbx_number_of_molecules 1
48
+ _entity.pdbx_ec ?
49
+ _entity.pdbx_mutation ?
50
+ _entity.pdbx_fragment ?
51
+ _entity.details ?
52
+ #
53
+ loop_
54
+ _pdbx_poly_seq_scheme.asym_id
55
+ _pdbx_poly_seq_scheme.entity_id
56
+ _pdbx_poly_seq_scheme.seq_id
57
+ _pdbx_poly_seq_scheme.mon_id
58
+ _pdbx_poly_seq_scheme.ndb_seq_num
59
+ _pdbx_poly_seq_scheme.pdb_seq_num
60
+ _pdbx_poly_seq_scheme.auth_seq_num
61
+ _pdbx_poly_seq_scheme.pdb_mon_id
62
+ _pdbx_poly_seq_scheme.auth_mon_id
63
+ _pdbx_poly_seq_scheme.pdb_strand_id
64
+ _pdbx_poly_seq_scheme.pdb_ins_code
65
+ _pdbx_poly_seq_scheme.hetero
66
+ A 1 1 ASP 1 1 1 ASP ASP G . n
67
+ A 1 2 GLU 2 2 2 GLU GLU G . n
68
+ A 1 3 GLU 3 3 3 GLU GLU G . n
69
+ A 1 4 VAL 4 4 4 VAL VAL G . n
70
+ A 1 5 GLU 5 5 5 GLU GLU G . n
71
+ A 1 6 LEU 6 6 6 LEU LEU G . n
72
+ A 1 7 ILE 7 7 7 ILE ILE G . n
73
+ A 1 8 LEU 8 8 8 LEU LEU G . n
74
+ A 1 9 GLY 9 9 9 GLY GLY G . n
75
+ A 1 10 ASP 10 10 10 ASP ASP G . n
76
+ A 1 11 THR 11 11 11 THR THR G . n
77
+ #
78
+ loop_
79
+ _chem_comp.id
80
+ _chem_comp.type
81
+ _chem_comp.mon_nstd_flag
82
+ _chem_comp.name
83
+ _chem_comp.pdbx_synonyms
84
+ _chem_comp.formula
85
+ _chem_comp.formula_weight
86
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
87
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
88
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
89
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
90
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
91
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
92
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
93
+ #
94
+ _struct_asym.id A
95
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
96
+ _struct_asym.pdbx_modified N
97
+ _struct_asym.entity_id 1
98
+ _struct_asym.details ?
99
+ #
100
+ _atom_sites.entry_id 3WA0_G
101
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
102
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
103
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
104
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
105
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
106
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
107
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
108
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
109
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
110
+ _atom_sites.fract_transf_vector[1] 0.00000
111
+ _atom_sites.fract_transf_vector[2] 0.00000
112
+ _atom_sites.fract_transf_vector[3] 0.00000
113
+ #
114
+ loop_
115
+ _pdbx_unobs_or_zero_occ_atoms.id
116
+ _pdbx_unobs_or_zero_occ_atoms.PDB_model_num
117
+ _pdbx_unobs_or_zero_occ_atoms.polymer_flag
118
+ _pdbx_unobs_or_zero_occ_atoms.occupancy_flag
119
+ _pdbx_unobs_or_zero_occ_atoms.auth_asym_id
120
+ _pdbx_unobs_or_zero_occ_atoms.auth_comp_id
121
+ _pdbx_unobs_or_zero_occ_atoms.auth_seq_id
122
+ _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
123
+ _pdbx_unobs_or_zero_occ_atoms.auth_atom_id
124
+ _pdbx_unobs_or_zero_occ_atoms.label_alt_id
125
+ _pdbx_unobs_or_zero_occ_atoms.label_asym_id
126
+ _pdbx_unobs_or_zero_occ_atoms.label_comp_id
127
+ _pdbx_unobs_or_zero_occ_atoms.label_seq_id
128
+ _pdbx_unobs_or_zero_occ_atoms.label_atom_id
129
+ 1 1 Y 1 G ASP 1 ? CG ? A ASP 1 CG
130
+ 2 1 Y 1 G ASP 1 ? OD1 ? A ASP 1 OD1
131
+ 3 1 Y 1 G ASP 1 ? OD2 ? A ASP 1 OD2
132
+ 4 1 Y 1 G THR 11 ? OG1 ? A THR 11 OG1
133
+ 5 1 Y 1 G THR 11 ? CG2 ? A THR 11 CG2
134
+ #
135
+ loop_
136
+ _atom_type.symbol
137
+ C
138
+ N
139
+ O
140
+ #
141
+ _entry.id 3WA0_G
142
+ #
143
+ loop_
144
+ _atom_site.group_PDB
145
+ _atom_site.id
146
+ _atom_site.type_symbol
147
+ _atom_site.label_atom_id
148
+ _atom_site.label_alt_id
149
+ _atom_site.label_comp_id
150
+ _atom_site.label_asym_id
151
+ _atom_site.label_entity_id
152
+ _atom_site.label_seq_id
153
+ _atom_site.pdbx_PDB_ins_code
154
+ _atom_site.Cartn_x
155
+ _atom_site.Cartn_y
156
+ _atom_site.Cartn_z
157
+ _atom_site.occupancy
158
+ _atom_site.B_iso_or_equiv
159
+ _atom_site.pdbx_formal_charge
160
+ _atom_site.auth_seq_id
161
+ _atom_site.auth_comp_id
162
+ _atom_site.auth_asym_id
163
+ _atom_site.auth_atom_id
164
+ _atom_site.pdbx_PDB_model_num
165
+ ATOM 1 N N . ASP A 1 1 ? 24.467 30.424 65.339 1.00 71.52 ? 1 ASP G N 1
166
+ ATOM 2 C CA . ASP A 1 1 ? 25.903 30.151 65.338 1.00 79.02 ? 1 ASP G CA 1
167
+ ATOM 3 C C . ASP A 1 1 ? 26.347 29.411 66.600 1.00 81.41 ? 1 ASP G C 1
168
+ ATOM 4 O O . ASP A 1 1 ? 26.828 30.020 67.560 1.00 79.31 ? 1 ASP G O 1
169
+ ATOM 5 C CB . ASP A 1 1 ? 26.710 31.442 65.173 1.00 74.97 ? 1 ASP G CB 1
170
+ ATOM 6 N N . GLU A 1 2 ? 26.190 28.091 66.583 1.00 76.96 ? 2 GLU G N 1
171
+ ATOM 7 C CA . GLU A 1 2 ? 26.590 27.244 67.703 1.00 80.54 ? 2 GLU G CA 1
172
+ ATOM 8 C C . GLU A 1 2 ? 28.107 27.048 67.765 1.00 75.05 ? 2 GLU G C 1
173
+ ATOM 9 O O . GLU A 1 2 ? 28.776 26.922 66.733 1.00 70.62 ? 2 GLU G O 1
174
+ ATOM 10 C CB . GLU A 1 2 ? 25.904 25.874 67.600 1.00 80.46 ? 2 GLU G CB 1
175
+ ATOM 11 C CG . GLU A 1 2 ? 24.378 25.918 67.554 1.00 82.23 ? 2 GLU G CG 1
176
+ ATOM 12 C CD . GLU A 1 2 ? 23.736 25.817 68.930 1.00 82.97 ? 2 GLU G CD 1
177
+ ATOM 13 O OE1 . GLU A 1 2 ? 24.477 25.797 69.939 1.00 78.36 ? 2 GLU G OE1 1
178
+ ATOM 14 O OE2 . GLU A 1 2 ? 22.486 25.753 68.998 1.00 84.36 ? 2 GLU G OE2 1
179
+ ATOM 15 N N . GLU A 1 3 ? 28.640 27.018 68.985 1.00 70.36 ? 3 GLU G N 1
180
+ ATOM 16 C CA . GLU A 1 3 ? 30.037 26.672 69.211 1.00 69.20 ? 3 GLU G CA 1
181
+ ATOM 17 C C . GLU A 1 3 ? 30.331 25.237 68.778 1.00 76.72 ? 3 GLU G C 1
182
+ ATOM 18 O O . GLU A 1 3 ? 29.626 24.302 69.169 1.00 69.96 ? 3 GLU G O 1
183
+ ATOM 19 C CB . GLU A 1 3 ? 30.384 26.806 70.687 1.00 68.86 ? 3 GLU G CB 1
184
+ ATOM 20 C CG . GLU A 1 3 ? 30.538 28.214 71.169 1.00 73.40 ? 3 GLU G CG 1
185
+ ATOM 21 C CD . GLU A 1 3 ? 31.331 28.262 72.447 1.00 78.24 ? 3 GLU G CD 1
186
+ ATOM 22 O OE1 . GLU A 1 3 ? 30.799 27.825 73.490 1.00 85.96 ? 3 GLU G OE1 1
187
+ ATOM 23 O OE2 . GLU A 1 3 ? 32.496 28.707 72.404 1.00 81.62 ? 3 GLU G OE2 1
188
+ ATOM 24 N N . VAL A 1 4 ? 31.387 25.066 67.988 1.00 69.60 ? 4 VAL G N 1
189
+ ATOM 25 C CA . VAL A 1 4 ? 31.790 23.740 67.534 1.00 67.92 ? 4 VAL G CA 1
190
+ ATOM 26 C C . VAL A 1 4 ? 33.294 23.526 67.733 1.00 66.55 ? 4 VAL G C 1
191
+ ATOM 27 O O . VAL A 1 4 ? 34.090 24.456 67.603 1.00 62.57 ? 4 VAL G O 1
192
+ ATOM 28 C CB . VAL A 1 4 ? 31.374 23.498 66.054 1.00 72.27 ? 4 VAL G CB 1
193
+ ATOM 29 C CG1 . VAL A 1 4 ? 32.076 22.278 65.464 1.00 73.66 ? 4 VAL G CG1 1
194
+ ATOM 30 C CG2 . VAL A 1 4 ? 29.860 23.343 65.942 1.00 65.60 ? 4 VAL G CG2 1
195
+ ATOM 31 N N . GLU A 1 5 ? 33.672 22.305 68.097 1.00 61.46 ? 5 GLU G N 1
196
+ ATOM 32 C CA . GLU A 1 5 ? 35.076 21.930 68.137 1.00 63.13 ? 5 GLU G CA 1
197
+ ATOM 33 C C . GLU A 1 5 ? 35.254 20.567 67.477 1.00 65.45 ? 5 GLU G C 1
198
+ ATOM 34 O O . GLU A 1 5 ? 34.404 19.682 67.610 1.00 62.22 ? 5 GLU G O 1
199
+ ATOM 35 C CB . GLU A 1 5 ? 35.590 21.889 69.572 1.00 60.65 ? 5 GLU G CB 1
200
+ ATOM 36 C CG . GLU A 1 5 ? 37.042 22.306 69.712 1.00 66.52 ? 5 GLU G CG 1
201
+ ATOM 37 C CD . GLU A 1 5 ? 37.816 21.407 70.656 1.00 71.78 ? 5 GLU G CD 1
202
+ ATOM 38 O OE1 . GLU A 1 5 ? 37.481 20.206 70.732 1.00 77.19 ? 5 GLU G OE1 1
203
+ ATOM 39 O OE2 . GLU A 1 5 ? 38.758 21.893 71.317 1.00 72.55 ? 5 GLU G OE2 1
204
+ ATOM 40 N N . LEU A 1 6 ? 36.349 20.407 66.749 1.00 56.85 ? 6 LEU G N 1
205
+ ATOM 41 C CA . LEU A 1 6 ? 36.653 19.131 66.129 1.00 57.51 ? 6 LEU G CA 1
206
+ ATOM 42 C C . LEU A 1 6 ? 37.946 18.609 66.719 1.00 56.18 ? 6 LEU G C 1
207
+ ATOM 43 O O . LEU A 1 6 ? 38.990 19.248 66.599 1.00 57.95 ? 6 LEU G O 1
208
+ ATOM 44 C CB . LEU A 1 6 ? 36.796 19.278 64.609 1.00 58.07 ? 6 LEU G CB 1
209
+ ATOM 45 C CG . LEU A 1 6 ? 35.679 20.008 63.858 1.00 59.19 ? 6 LEU G CG 1
210
+ ATOM 46 C CD1 . LEU A 1 6 ? 36.005 20.114 62.372 1.00 50.17 ? 6 LEU G CD1 1
211
+ ATOM 47 C CD2 . LEU A 1 6 ? 34.333 19.319 64.080 1.00 54.93 ? 6 LEU G CD2 1
212
+ ATOM 48 N N . ILE A 1 7 ? 37.882 17.451 67.362 1.00 56.14 ? 7 ILE G N 1
213
+ ATOM 49 C CA . ILE A 1 7 ? 39.080 16.851 67.926 1.00 61.07 ? 7 ILE G CA 1
214
+ ATOM 50 C C . ILE A 1 7 ? 39.619 15.807 66.961 1.00 62.96 ? 7 ILE G C 1
215
+ ATOM 51 O O . ILE A 1 7 ? 38.998 14.764 66.747 1.00 61.18 ? 7 ILE G O 1
216
+ ATOM 52 C CB . ILE A 1 7 ? 38.807 16.212 69.305 1.00 59.19 ? 7 ILE G CB 1
217
+ ATOM 53 C CG1 . ILE A 1 7 ? 38.104 17.216 70.222 1.00 65.85 ? 7 ILE G CG1 1
218
+ ATOM 54 C CG2 . ILE A 1 7 ? 40.100 15.729 69.932 1.00 47.19 ? 7 ILE G CG2 1
219
+ ATOM 55 C CD1 . ILE A 1 7 ? 37.883 16.719 71.632 1.00 64.77 ? 7 ILE G CD1 1
220
+ ATOM 56 N N . LEU A 1 8 ? 40.745 16.106 66.347 1.00 61.29 ? 8 LEU G N 1
221
+ ATOM 57 C CA . LEU A 1 8 ? 41.277 15.240 65.331 1.00 67.79 ? 8 LEU G CA 1
222
+ ATOM 58 C C . LEU A 1 8 ? 42.402 14.376 65.843 1.00 75.51 ? 8 LEU G C 1
223
+ ATOM 59 O O . LEU A 1 8 ? 43.364 14.862 66.399 1.00 68.09 ? 8 LEU G O 1
224
+ ATOM 60 C CB . LEU A 1 8 ? 41.676 16.050 64.118 1.00 67.64 ? 8 LEU G CB 1
225
+ ATOM 61 C CG . LEU A 1 8 ? 40.406 16.748 63.660 1.00 71.23 ? 8 LEU G CG 1
226
+ ATOM 62 C CD1 . LEU A 1 8 ? 40.649 18.160 63.198 1.00 64.71 ? 8 LEU G CD1 1
227
+ ATOM 63 C CD2 . LEU A 1 8 ? 39.635 15.947 62.627 1.00 67.98 ? 8 LEU G CD2 1
228
+ ATOM 64 N N . GLY A 1 9 ? 42.232 13.072 65.686 1.00 74.68 ? 9 GLY G N 1
229
+ ATOM 65 C CA . GLY A 1 9 ? 43.199 12.121 66.171 1.00 80.16 ? 9 GLY G CA 1
230
+ ATOM 66 C C . GLY A 1 9 ? 43.044 11.825 67.643 1.00 89.45 ? 9 GLY G C 1
231
+ ATOM 67 O O . GLY A 1 9 ? 42.120 12.280 68.281 1.00 91.79 ? 9 GLY G O 1
232
+ ATOM 68 N N . ASP A 1 10 ? 43.959 11.042 68.181 1.00 91.86 ? 10 ASP G N 1
233
+ ATOM 69 C CA . ASP A 1 10 ? 43.941 10.706 69.581 1.00 92.98 ? 10 ASP G CA 1
234
+ ATOM 70 C C . ASP A 1 10 ? 45.303 11.057 70.173 1.00 95.43 ? 10 ASP G C 1
235
+ ATOM 71 O O . ASP A 1 10 ? 46.299 10.452 69.829 1.00 96.27 ? 10 ASP G O 1
236
+ ATOM 72 C CB . ASP A 1 10 ? 43.669 9.206 69.669 1.00 93.41 ? 10 ASP G CB 1
237
+ ATOM 73 C CG . ASP A 1 10 ? 43.583 8.694 71.080 1.00 94.09 ? 10 ASP G CG 1
238
+ ATOM 74 O OD1 . ASP A 1 10 ? 43.347 9.487 72.002 1.00 97.35 ? 10 ASP G OD1 1
239
+ ATOM 75 O OD2 . ASP A 1 10 ? 43.746 7.481 71.264 1.00 89.58 ? 10 ASP G OD2 1
240
+ ATOM 76 N N . THR A 1 11 ? 45.333 12.004 71.098 1.00 92.86 ? 11 THR G N 1
241
+ ATOM 77 C CA . THR A 1 11 ? 46.557 12.393 71.770 1.00 90.99 ? 11 THR G CA 1
242
+ ATOM 78 C C . THR A 1 11 ? 46.258 13.299 72.945 1.00 89.95 ? 11 THR G C 1
243
+ ATOM 79 O O . THR A 1 11 ? 47.143 13.598 73.738 1.00 91.35 ? 11 THR G O 1
244
+ ATOM 80 C CB . THR A 1 11 ? 47.503 13.084 70.817 1.00 93.26 ? 11 THR G CB 1
245
+ #
246
+ loop_
247
+ _pdbx_audit_revision_history.ordinal
248
+ _pdbx_audit_revision_history.data_content_type
249
+ _pdbx_audit_revision_history.major_revision
250
+ _pdbx_audit_revision_history.minor_revision
251
+ _pdbx_audit_revision_history.revision_date
252
+ 1 'Structure model' 1 0 2014-05-28
253
+ 2 'Structure model' 1 1 2014-06-25
254
+ 3 'Structure model' 1 2 2022-08-24
255
+ #
mmcifs/3WA1_A.cif ADDED
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@@ -0,0 +1,1418 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_3WDN_A
2
+ #
3
+ _pdbx_database_status.entry_id 3WDN_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
+ ;SVRKFTEKHEWVTTENGVGTVGISNFAQEALGDVVYCSLPEVGTKLNKQEEFGALESVKAASELYSPLSGEVTEINKALA
22
+ ENPGLVNKSCYEDGWLIKMTFSNPSELDELMSEEAYEKYIKSIEE
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;SVRKFTEKHEWVTTENGVGTVGISNFAQEALGDVVYCSLPEVGTKLNKQEEFGALESVKAASELYSPLSGEVTEINKALA
26
+ ENPGLVNKSCYEDGWLIKMTFSNPSELDELMSEEAYEKYIKSIEE
27
+ ;
28
+ _entity_poly.pdbx_strand_id A
29
+ _entity_poly.pdbx_target_identifier ?
30
+ #
31
+ loop_
32
+ _entity_poly_seq.entity_id
33
+ _entity_poly_seq.num
34
+ _entity_poly_seq.mon_id
35
+ _entity_poly_seq.hetero
36
+ 1 1 SER n
37
+ 1 2 VAL n
38
+ 1 3 ARG n
39
+ 1 4 LYS n
40
+ 1 5 PHE n
41
+ 1 6 THR n
42
+ 1 7 GLU n
43
+ 1 8 LYS n
44
+ 1 9 HIS n
45
+ 1 10 GLU n
46
+ 1 11 TRP n
47
+ 1 12 VAL n
48
+ 1 13 THR n
49
+ 1 14 THR n
50
+ 1 15 GLU n
51
+ 1 16 ASN n
52
+ 1 17 GLY n
53
+ 1 18 VAL n
54
+ 1 19 GLY n
55
+ 1 20 THR n
56
+ 1 21 VAL n
57
+ 1 22 GLY n
58
+ 1 23 ILE n
59
+ 1 24 SER n
60
+ 1 25 ASN n
61
+ 1 26 PHE n
62
+ 1 27 ALA n
63
+ 1 28 GLN n
64
+ 1 29 GLU n
65
+ 1 30 ALA n
66
+ 1 31 LEU n
67
+ 1 32 GLY n
68
+ 1 33 ASP n
69
+ 1 34 VAL n
70
+ 1 35 VAL n
71
+ 1 36 TYR n
72
+ 1 37 CYS n
73
+ 1 38 SER n
74
+ 1 39 LEU n
75
+ 1 40 PRO n
76
+ 1 41 GLU n
77
+ 1 42 VAL n
78
+ 1 43 GLY n
79
+ 1 44 THR n
80
+ 1 45 LYS n
81
+ 1 46 LEU n
82
+ 1 47 ASN n
83
+ 1 48 LYS n
84
+ 1 49 GLN n
85
+ 1 50 GLU n
86
+ 1 51 GLU n
87
+ 1 52 PHE n
88
+ 1 53 GLY n
89
+ 1 54 ALA n
90
+ 1 55 LEU n
91
+ 1 56 GLU n
92
+ 1 57 SER n
93
+ 1 58 VAL n
94
+ 1 59 LYS n
95
+ 1 60 ALA n
96
+ 1 61 ALA n
97
+ 1 62 SER n
98
+ 1 63 GLU n
99
+ 1 64 LEU n
100
+ 1 65 TYR n
101
+ 1 66 SER n
102
+ 1 67 PRO n
103
+ 1 68 LEU n
104
+ 1 69 SER n
105
+ 1 70 GLY n
106
+ 1 71 GLU n
107
+ 1 72 VAL n
108
+ 1 73 THR n
109
+ 1 74 GLU n
110
+ 1 75 ILE n
111
+ 1 76 ASN n
112
+ 1 77 LYS n
113
+ 1 78 ALA n
114
+ 1 79 LEU n
115
+ 1 80 ALA n
116
+ 1 81 GLU n
117
+ 1 82 ASN n
118
+ 1 83 PRO n
119
+ 1 84 GLY n
120
+ 1 85 LEU n
121
+ 1 86 VAL n
122
+ 1 87 ASN n
123
+ 1 88 LYS n
124
+ 1 89 SER n
125
+ 1 90 CYS n
126
+ 1 91 TYR n
127
+ 1 92 GLU n
128
+ 1 93 ASP n
129
+ 1 94 GLY n
130
+ 1 95 TRP n
131
+ 1 96 LEU n
132
+ 1 97 ILE n
133
+ 1 98 LYS n
134
+ 1 99 MET n
135
+ 1 100 THR n
136
+ 1 101 PHE n
137
+ 1 102 SER n
138
+ 1 103 ASN n
139
+ 1 104 PRO n
140
+ 1 105 SER n
141
+ 1 106 GLU n
142
+ 1 107 LEU n
143
+ 1 108 ASP n
144
+ 1 109 GLU n
145
+ 1 110 LEU n
146
+ 1 111 MET n
147
+ 1 112 SER n
148
+ 1 113 GLU n
149
+ 1 114 GLU n
150
+ 1 115 ALA n
151
+ 1 116 TYR n
152
+ 1 117 GLU n
153
+ 1 118 LYS n
154
+ 1 119 TYR n
155
+ 1 120 ILE n
156
+ 1 121 LYS n
157
+ 1 122 SER n
158
+ 1 123 ILE n
159
+ 1 124 GLU n
160
+ 1 125 GLU n
161
+ #
162
+ _entity.id 1
163
+ _entity.type polymer
164
+ _entity.src_method man
165
+ _entity.pdbx_description ?
166
+ _entity.formula_weight 13858.369
167
+ _entity.pdbx_number_of_molecules 1
168
+ _entity.pdbx_ec ?
169
+ _entity.pdbx_mutation ?
170
+ _entity.pdbx_fragment ?
171
+ _entity.details ?
172
+ #
173
+ loop_
174
+ _pdbx_poly_seq_scheme.asym_id
175
+ _pdbx_poly_seq_scheme.entity_id
176
+ _pdbx_poly_seq_scheme.seq_id
177
+ _pdbx_poly_seq_scheme.mon_id
178
+ _pdbx_poly_seq_scheme.ndb_seq_num
179
+ _pdbx_poly_seq_scheme.pdb_seq_num
180
+ _pdbx_poly_seq_scheme.auth_seq_num
181
+ _pdbx_poly_seq_scheme.pdb_mon_id
182
+ _pdbx_poly_seq_scheme.auth_mon_id
183
+ _pdbx_poly_seq_scheme.pdb_strand_id
184
+ _pdbx_poly_seq_scheme.pdb_ins_code
185
+ _pdbx_poly_seq_scheme.hetero
186
+ A 1 1 SER 1 1 1 SER SER A . n
187
+ A 1 2 VAL 2 2 2 VAL VAL A . n
188
+ A 1 3 ARG 3 3 3 ARG ARG A . n
189
+ A 1 4 LYS 4 4 4 LYS LYS A . n
190
+ A 1 5 PHE 5 5 5 PHE PHE A . n
191
+ A 1 6 THR 6 6 6 THR THR A . n
192
+ A 1 7 GLU 7 7 7 GLU GLU A . n
193
+ A 1 8 LYS 8 8 8 LYS LYS A . n
194
+ A 1 9 HIS 9 9 9 HIS HIS A . n
195
+ A 1 10 GLU 10 10 10 GLU GLU A . n
196
+ A 1 11 TRP 11 11 11 TRP TRP A . n
197
+ A 1 12 VAL 12 12 12 VAL VAL A . n
198
+ A 1 13 THR 13 13 13 THR THR A . n
199
+ A 1 14 THR 14 14 14 THR THR A . n
200
+ A 1 15 GLU 15 15 15 GLU GLU A . n
201
+ A 1 16 ASN 16 16 16 ASN ASN A . n
202
+ A 1 17 GLY 17 17 17 GLY GLY A . n
203
+ A 1 18 VAL 18 18 18 VAL VAL A . n
204
+ A 1 19 GLY 19 19 19 GLY GLY A . n
205
+ A 1 20 THR 20 20 20 THR THR A . n
206
+ A 1 21 VAL 21 21 21 VAL VAL A . n
207
+ A 1 22 GLY 22 22 22 GLY GLY A . n
208
+ A 1 23 ILE 23 23 23 ILE ILE A . n
209
+ A 1 24 SER 24 24 24 SER SER A . n
210
+ A 1 25 ASN 25 25 25 ASN ASN A . n
211
+ A 1 26 PHE 26 26 26 PHE PHE A . n
212
+ A 1 27 ALA 27 27 27 ALA ALA A . n
213
+ A 1 28 GLN 28 28 28 GLN GLN A . n
214
+ A 1 29 GLU 29 29 29 GLU GLU A . n
215
+ A 1 30 ALA 30 30 30 ALA ALA A . n
216
+ A 1 31 LEU 31 31 31 LEU LEU A . n
217
+ A 1 32 GLY 32 32 32 GLY GLY A . n
218
+ A 1 33 ASP 33 33 33 ASP ASP A . n
219
+ A 1 34 VAL 34 34 34 VAL VAL A . n
220
+ A 1 35 VAL 35 35 35 VAL VAL A . n
221
+ A 1 36 TYR 36 36 36 TYR TYR A . n
222
+ A 1 37 CYS 37 37 37 CYS CYS A . n
223
+ A 1 38 SER 38 38 38 SER SER A . n
224
+ A 1 39 LEU 39 39 39 LEU LEU A . n
225
+ A 1 40 PRO 40 40 40 PRO PRO A . n
226
+ A 1 41 GLU 41 41 41 GLU GLU A . n
227
+ A 1 42 VAL 42 42 42 VAL VAL A . n
228
+ A 1 43 GLY 43 43 43 GLY GLY A . n
229
+ A 1 44 THR 44 44 44 THR THR A . n
230
+ A 1 45 LYS 45 45 45 LYS LYS A . n
231
+ A 1 46 LEU 46 46 46 LEU LEU A . n
232
+ A 1 47 ASN 47 47 47 ASN ASN A . n
233
+ A 1 48 LYS 48 48 48 LYS LYS A . n
234
+ A 1 49 GLN 49 49 49 GLN GLN A . n
235
+ A 1 50 GLU 50 50 50 GLU GLU A . n
236
+ A 1 51 GLU 51 51 51 GLU GLU A . n
237
+ A 1 52 PHE 52 52 52 PHE PHE A . n
238
+ A 1 53 GLY 53 53 53 GLY GLY A . n
239
+ A 1 54 ALA 54 54 54 ALA ALA A . n
240
+ A 1 55 LEU 55 55 55 LEU LEU A . n
241
+ A 1 56 GLU 56 56 56 GLU GLU A . n
242
+ A 1 57 SER 57 57 57 SER SER A . n
243
+ A 1 58 VAL 58 58 58 VAL VAL A . n
244
+ A 1 59 LYS 59 59 59 LYS LYS A . n
245
+ A 1 60 ALA 60 60 60 ALA ALA A . n
246
+ A 1 61 ALA 61 61 61 ALA ALA A . n
247
+ A 1 62 SER 62 62 62 SER SER A . n
248
+ A 1 63 GLU 63 63 63 GLU GLU A . n
249
+ A 1 64 LEU 64 64 64 LEU LEU A . n
250
+ A 1 65 TYR 65 65 65 TYR TYR A . n
251
+ A 1 66 SER 66 66 66 SER SER A . n
252
+ A 1 67 PRO 67 67 67 PRO PRO A . n
253
+ A 1 68 LEU 68 68 68 LEU LEU A . n
254
+ A 1 69 SER 69 69 69 SER SER A . n
255
+ A 1 70 GLY 70 70 70 GLY GLY A . n
256
+ A 1 71 GLU 71 71 71 GLU GLU A . n
257
+ A 1 72 VAL 72 72 72 VAL VAL A . n
258
+ A 1 73 THR 73 73 73 THR THR A . n
259
+ A 1 74 GLU 74 74 74 GLU GLU A . n
260
+ A 1 75 ILE 75 75 75 ILE ILE A . n
261
+ A 1 76 ASN 76 76 76 ASN ASN A . n
262
+ A 1 77 LYS 77 77 77 LYS LYS A . n
263
+ A 1 78 ALA 78 78 78 ALA ALA A . n
264
+ A 1 79 LEU 79 79 79 LEU LEU A . n
265
+ A 1 80 ALA 80 80 80 ALA ALA A . n
266
+ A 1 81 GLU 81 81 81 GLU GLU A . n
267
+ A 1 82 ASN 82 82 82 ASN ASN A . n
268
+ A 1 83 PRO 83 83 83 PRO PRO A . n
269
+ A 1 84 GLY 84 84 84 GLY GLY A . n
270
+ A 1 85 LEU 85 85 85 LEU LEU A . n
271
+ A 1 86 VAL 86 86 86 VAL VAL A . n
272
+ A 1 87 ASN 87 87 87 ASN ASN A . n
273
+ A 1 88 LYS 88 88 88 LYS LYS A . n
274
+ A 1 89 SER 89 89 89 SER SER A . n
275
+ A 1 90 CYS 90 90 90 CYS CYS A . n
276
+ A 1 91 TYR 91 91 91 TYR TYR A . n
277
+ A 1 92 GLU 92 92 92 GLU GLU A . n
278
+ A 1 93 ASP 93 93 93 ASP ASP A . n
279
+ A 1 94 GLY 94 94 94 GLY GLY A . n
280
+ A 1 95 TRP 95 95 95 TRP TRP A . n
281
+ A 1 96 LEU 96 96 96 LEU LEU A . n
282
+ A 1 97 ILE 97 97 97 ILE ILE A . n
283
+ A 1 98 LYS 98 98 98 LYS LYS A . n
284
+ A 1 99 MET 99 99 99 MET MET A . n
285
+ A 1 100 THR 100 100 100 THR THR A . n
286
+ A 1 101 PHE 101 101 101 PHE PHE A . n
287
+ A 1 102 SER 102 102 102 SER SER A . n
288
+ A 1 103 ASN 103 103 103 ASN ASN A . n
289
+ A 1 104 PRO 104 104 104 PRO PRO A . n
290
+ A 1 105 SER 105 105 105 SER SER A . n
291
+ A 1 106 GLU 106 106 106 GLU GLU A . n
292
+ A 1 107 LEU 107 107 107 LEU LEU A . n
293
+ A 1 108 ASP 108 108 108 ASP ASP A . n
294
+ A 1 109 GLU 109 109 109 GLU GLU A . n
295
+ A 1 110 LEU 110 110 110 LEU LEU A . n
296
+ A 1 111 MET 111 111 111 MET MET A . n
297
+ A 1 112 SER 112 112 112 SER SER A . n
298
+ A 1 113 GLU 113 113 113 GLU GLU A . n
299
+ A 1 114 GLU 114 114 114 GLU GLU A . n
300
+ A 1 115 ALA 115 115 115 ALA ALA A . n
301
+ A 1 116 TYR 116 116 116 TYR TYR A . n
302
+ A 1 117 GLU 117 117 117 GLU GLU A . n
303
+ A 1 118 LYS 118 118 118 LYS LYS A . n
304
+ A 1 119 TYR 119 119 119 TYR TYR A . n
305
+ A 1 120 ILE 120 120 120 ILE ILE A . n
306
+ A 1 121 LYS 121 121 121 LYS LYS A . n
307
+ A 1 122 SER 122 122 122 SER SER A . n
308
+ A 1 123 ILE 123 123 123 ILE ILE A . n
309
+ A 1 124 GLU 124 124 124 GLU GLU A . n
310
+ A 1 125 GLU 125 125 125 GLU GLU A . n
311
+ #
312
+ loop_
313
+ _chem_comp.id
314
+ _chem_comp.type
315
+ _chem_comp.mon_nstd_flag
316
+ _chem_comp.name
317
+ _chem_comp.pdbx_synonyms
318
+ _chem_comp.formula
319
+ _chem_comp.formula_weight
320
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
321
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
322
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
323
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
324
+ CYS "L-peptide linking" y CYSTEINE ? "C3 H7 N O2 S" 121.158
325
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
326
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
327
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
328
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
329
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
330
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
331
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
332
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
333
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
334
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
335
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
336
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
337
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
338
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
339
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
340
+ #
341
+ _struct_asym.id A
342
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
343
+ _struct_asym.pdbx_modified N
344
+ _struct_asym.entity_id 1
345
+ _struct_asym.details ?
346
+ #
347
+ _atom_sites.entry_id 3WDN_A
348
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
349
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
350
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
351
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
352
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
353
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
354
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
355
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
356
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
357
+ _atom_sites.fract_transf_vector[1] 0.00000
358
+ _atom_sites.fract_transf_vector[2] 0.00000
359
+ _atom_sites.fract_transf_vector[3] 0.00000
360
+ #
361
+ loop_
362
+ _pdbx_validate_rmsd_angle.id
363
+ _pdbx_validate_rmsd_angle.PDB_model_num
364
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
365
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
366
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
367
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
368
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
369
+ _pdbx_validate_rmsd_angle.label_alt_id_1
370
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
371
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
372
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
373
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
374
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
375
+ _pdbx_validate_rmsd_angle.label_alt_id_2
376
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
377
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
378
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
379
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
380
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
381
+ _pdbx_validate_rmsd_angle.label_alt_id_3
382
+ _pdbx_validate_rmsd_angle.angle_value
383
+ _pdbx_validate_rmsd_angle.angle_target_value
384
+ _pdbx_validate_rmsd_angle.angle_deviation
385
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
386
+ _pdbx_validate_rmsd_angle.linker_flag
387
+ 1 1 CD A ARG 3 ? ? NE A ARG 3 ? ? CZ A ARG 3 ? ? 135.43 123.60 11.83 1.40 N
388
+ 2 1 OE1 A GLU 15 ? ? CD A GLU 15 ? ? OE2 A GLU 15 ? ? 115.35 123.30 -7.95 1.20 N
389
+ #
390
+ loop_
391
+ _pdbx_validate_torsion.id
392
+ _pdbx_validate_torsion.PDB_model_num
393
+ _pdbx_validate_torsion.auth_comp_id
394
+ _pdbx_validate_torsion.auth_asym_id
395
+ _pdbx_validate_torsion.auth_seq_id
396
+ _pdbx_validate_torsion.PDB_ins_code
397
+ _pdbx_validate_torsion.label_alt_id
398
+ _pdbx_validate_torsion.phi
399
+ _pdbx_validate_torsion.psi
400
+ 1 1 HIS A 9 ? ? 73.56 30.07
401
+ 2 1 GLN A 49 ? ? 86.65 -10.62
402
+ 3 1 SER A 89 ? ? -150.44 58.37
403
+ 4 1 GLU A 92 ? ? -129.62 -91.75
404
+ #
405
+ loop_
406
+ _atom_type.symbol
407
+ C
408
+ N
409
+ O
410
+ S
411
+ #
412
+ _entry.id 3WDN_A
413
+ #
414
+ loop_
415
+ _atom_site.group_PDB
416
+ _atom_site.id
417
+ _atom_site.type_symbol
418
+ _atom_site.label_atom_id
419
+ _atom_site.label_alt_id
420
+ _atom_site.label_comp_id
421
+ _atom_site.label_asym_id
422
+ _atom_site.label_entity_id
423
+ _atom_site.label_seq_id
424
+ _atom_site.pdbx_PDB_ins_code
425
+ _atom_site.Cartn_x
426
+ _atom_site.Cartn_y
427
+ _atom_site.Cartn_z
428
+ _atom_site.occupancy
429
+ _atom_site.B_iso_or_equiv
430
+ _atom_site.pdbx_formal_charge
431
+ _atom_site.auth_seq_id
432
+ _atom_site.auth_comp_id
433
+ _atom_site.auth_asym_id
434
+ _atom_site.auth_atom_id
435
+ _atom_site.pdbx_PDB_model_num
436
+ ATOM 1 N N . SER A 1 1 ? 2.685 15.513 9.959 0.42 36.78 ? 1 SER A N 1
437
+ ATOM 2 C CA . SER A 1 1 ? 3.858 15.187 9.157 0.42 44.67 ? 1 SER A CA 1
438
+ ATOM 3 C C . SER A 1 1 ? 5.129 15.239 10.002 0.42 41.77 ? 1 SER A C 1
439
+ ATOM 4 O O . SER A 1 1 ? 5.976 16.127 9.964 0.42 44.92 ? 1 SER A O 1
440
+ ATOM 5 C CB . SER A 1 1 ? 4.011 16.085 7.918 1.00 55.15 ? 1 SER A CB 1
441
+ ATOM 6 O OG . SER A 1 1 ? 4.861 15.345 7.010 1.00 82.08 ? 1 SER A OG 1
442
+ ATOM 7 N N . VAL A 1 2 ? 5.203 14.252 10.842 1.00 37.47 ? 2 VAL A N 1
443
+ ATOM 8 C CA . VAL A 1 2 ? 6.157 14.175 11.920 1.00 30.41 ? 2 VAL A CA 1
444
+ ATOM 9 C C . VAL A 1 2 ? 6.466 12.767 12.305 1.00 23.37 ? 2 VAL A C 1
445
+ ATOM 10 O O . VAL A 1 2 ? 5.726 11.878 11.851 1.00 31.11 ? 2 VAL A O 1
446
+ ATOM 11 C CB . VAL A 1 2 ? 5.477 14.825 13.157 1.00 32.05 ? 2 VAL A CB 1
447
+ ATOM 12 C CG1 . VAL A 1 2 ? 4.230 14.011 13.460 1.00 43.49 ? 2 VAL A CG1 1
448
+ ATOM 13 C CG2 . VAL A 1 2 ? 6.449 14.914 14.287 1.00 53.97 ? 2 VAL A CG2 1
449
+ ATOM 14 N N . ARG A 1 3 ? 7.468 12.395 12.980 1.00 22.34 ? 3 ARG A N 1
450
+ ATOM 15 C CA . ARG A 1 3 ? 7.826 11.024 13.342 0.76 16.05 ? 3 ARG A CA 1
451
+ ATOM 16 C C . ARG A 1 3 ? 6.969 10.602 14.520 1.00 14.08 ? 3 ARG A C 1
452
+ ATOM 17 O O . ARG A 1 3 ? 6.715 11.374 15.447 1.00 17.47 ? 3 ARG A O 1
453
+ ATOM 18 C CB . ARG A 1 3 ? 9.302 11.065 13.647 0.76 14.31 ? 3 ARG A CB 1
454
+ ATOM 19 C CG . ARG A 1 3 ? 9.902 9.697 13.853 0.76 10.95 ? 3 ARG A CG 1
455
+ ATOM 20 C CD . ARG A 1 3 ? 11.415 9.648 14.159 0.76 11.43 ? 3 ARG A CD 1
456
+ ATOM 21 N NE . ARG A 1 3 ? 12.170 10.486 13.253 0.76 12.79 ? 3 ARG A NE 1
457
+ ATOM 22 C CZ . ARG A 1 3 ? 12.826 10.298 12.161 0.76 11.57 ? 3 ARG A CZ 1
458
+ ATOM 23 N NH1 . ARG A 1 3 ? 12.914 9.036 11.637 0.76 13.86 ? 3 ARG A NH1 1
459
+ ATOM 24 N NH2 . ARG A 1 3 ? 13.420 11.320 11.556 0.76 16.86 ? 3 ARG A NH2 1
460
+ ATOM 25 N N . LYS A 1 4 ? 6.494 9.338 14.444 1.00 11.45 ? 4 LYS A N 1
461
+ ATOM 26 C CA . LYS A 1 4 ? 5.702 8.688 15.462 0.38 10.22 ? 4 LYS A CA 1
462
+ ATOM 27 C C . LYS A 1 4 ? 6.470 7.480 16.021 1.00 8.84 ? 4 LYS A C 1
463
+ ATOM 28 O O . LYS A 1 4 ? 7.321 6.937 15.319 1.00 9.75 ? 4 LYS A O 1
464
+ ATOM 29 C CB . LYS A 1 4 ? 4.322 8.273 14.939 0.38 13.09 ? 4 LYS A CB 1
465
+ ATOM 30 C CG . LYS A 1 4 ? 3.417 9.494 14.757 0.38 14.02 ? 4 LYS A CG 1
466
+ ATOM 31 C CD . LYS A 1 4 ? 2.130 9.259 14.050 0.38 12.27 ? 4 LYS A CD 1
467
+ ATOM 32 C CE . LYS A 1 4 ? 1.578 10.533 13.447 0.38 10.97 ? 4 LYS A CE 1
468
+ ATOM 33 N NZ . LYS A 1 4 ? 0.921 11.449 14.370 0.38 13.06 ? 4 LYS A NZ 1
469
+ ATOM 34 N N . PHE A 1 5 ? 6.115 7.079 17.246 1.00 8.14 ? 5 PHE A N 1
470
+ ATOM 35 C CA . PHE A 1 5 ? 6.867 6.026 17.953 1.00 7.69 ? 5 PHE A CA 1
471
+ ATOM 36 C C . PHE A 1 5 ? 5.931 4.951 18.490 1.00 8.57 ? 5 PHE A C 1
472
+ ATOM 37 O O . PHE A 1 5 ? 4.719 5.142 18.697 1.00 10.84 ? 5 PHE A O 1
473
+ ATOM 38 C CB . PHE A 1 5 ? 7.653 6.636 19.118 1.00 8.02 ? 5 PHE A CB 1
474
+ ATOM 39 C CG . PHE A 1 5 ? 8.746 7.577 18.691 1.00 7.51 ? 5 PHE A CG 1
475
+ ATOM 40 C CD1 . PHE A 1 5 ? 10.071 7.131 18.636 1.00 7.36 ? 5 PHE A CD1 1
476
+ ATOM 41 C CD2 . PHE A 1 5 ? 8.486 8.899 18.367 1.00 8.50 ? 5 PHE A CD2 1
477
+ ATOM 42 C CE1 . PHE A 1 5 ? 11.089 7.961 18.263 1.00 8.07 ? 5 PHE A CE1 1
478
+ ATOM 43 C CE2 . PHE A 1 5 ? 9.523 9.729 17.971 1.00 9.71 ? 5 PHE A CE2 1
479
+ ATOM 44 C CZ . PHE A 1 5 ? 10.822 9.272 17.929 1.00 8.54 ? 5 PHE A CZ 1
480
+ ATOM 45 N N . THR A 1 6 ? 6.487 3.803 18.757 1.00 9.14 ? 6 THR A N 1
481
+ ATOM 46 C CA . THR A 1 6 ? 5.775 2.709 19.377 1.00 9.68 ? 6 THR A CA 1
482
+ ATOM 47 C C . THR A 1 6 ? 6.298 2.450 20.796 1.00 8.51 ? 6 THR A C 1
483
+ ATOM 48 O O . THR A 1 6 ? 7.439 2.810 21.141 1.00 8.64 ? 6 THR A O 1
484
+ ATOM 49 C CB . THR A 1 6 ? 5.806 1.400 18.605 1.00 10.85 ? 6 THR A CB 1
485
+ ATOM 50 O OG1 . THR A 1 6 ? 7.101 0.825 18.783 1.00 10.79 ? 6 THR A OG1 1
486
+ ATOM 51 C CG2 . THR A 1 6 ? 5.559 1.557 17.132 1.00 14.23 ? 6 THR A CG2 1
487
+ ATOM 52 N N . GLU A 1 7 ? 5.500 1.763 21.586 1.00 9.06 ? 7 GLU A N 1
488
+ ATOM 53 C CA . GLU A 1 7 ? 5.950 1.509 22.946 0.68 8.97 ? 7 GLU A CA 1
489
+ ATOM 54 C C . GLU A 1 7 ? 7.069 0.500 22.987 1.00 8.43 ? 7 GLU A C 1
490
+ ATOM 55 O O . GLU A 1 7 ? 7.751 0.467 24.012 1.00 9.70 ? 7 GLU A O 1
491
+ ATOM 56 C CB . GLU A 1 7 ? 4.815 1.028 23.881 0.68 9.47 ? 7 GLU A CB 1
492
+ ATOM 57 C CG . GLU A 1 7 ? 4.187 -0.277 23.423 0.68 12.34 ? 7 GLU A CG 1
493
+ ATOM 58 C CD . GLU A 1 7 ? 4.749 -1.535 24.025 0.68 16.56 ? 7 GLU A CD 1
494
+ ATOM 59 O OE1 . GLU A 1 7 ? 4.289 -2.683 23.634 0.68 23.01 ? 7 GLU A OE1 1
495
+ ATOM 60 O OE2 . GLU A 1 7 ? 5.635 -1.423 24.871 0.68 16.69 ? 7 GLU A OE2 1
496
+ ATOM 61 N N . LYS A 1 8 ? 7.350 -0.253 21.944 1.00 8.39 ? 8 LYS A N 1
497
+ ATOM 62 C CA . LYS A 1 8 ? 8.534 -1.080 21.827 1.00 9.57 ? 8 LYS A CA 1
498
+ ATOM 63 C C . LYS A 1 8 ? 9.713 -0.339 21.196 1.00 7.19 ? 8 LYS A C 1
499
+ ATOM 64 O O . LYS A 1 8 ? 10.714 -0.959 20.845 1.00 8.53 ? 8 LYS A O 1
500
+ ATOM 65 C CB . LYS A 1 8 ? 8.225 -2.354 21.014 1.00 19.28 ? 8 LYS A CB 1
501
+ ATOM 66 C CG . LYS A 1 8 ? 7.361 -3.334 21.882 1.00 24.96 ? 8 LYS A CG 1
502
+ ATOM 67 C CD . LYS A 1 8 ? 7.126 -4.644 21.231 1.00 32.10 ? 8 LYS A CD 1
503
+ ATOM 68 C CE . LYS A 1 8 ? 6.123 -5.437 22.148 1.00 37.20 ? 8 LYS A CE 1
504
+ ATOM 69 N NZ . LYS A 1 8 ? 6.041 -6.878 21.843 0.43 31.89 ? 8 LYS A NZ 1
505
+ ATOM 70 N N . HIS A 1 9 ? 9.646 0.990 21.135 1.00 6.13 ? 9 HIS A N 1
506
+ ATOM 71 C CA . HIS A 1 9 ? 10.813 1.813 20.775 1.00 5.76 ? 9 HIS A CA 1
507
+ ATOM 72 C C . HIS A 1 9 ? 11.152 1.734 19.286 1.00 5.64 ? 9 HIS A C 1
508
+ ATOM 73 O O . HIS A 1 9 ? 12.298 1.922 18.900 1.00 6.50 ? 9 HIS A O 1
509
+ ATOM 74 C CB . HIS A 1 9 ? 12.024 1.540 21.670 1.00 6.02 ? 9 HIS A CB 1
510
+ ATOM 75 C CG . HIS A 1 9 ? 11.695 1.646 23.130 1.00 6.22 ? 9 HIS A CG 1
511
+ ATOM 76 N ND1 . HIS A 1 9 ? 11.481 2.863 23.764 1.00 6.26 ? 9 HIS A ND1 1
512
+ ATOM 77 C CD2 . HIS A 1 9 ? 11.548 0.682 24.089 1.00 6.93 ? 9 HIS A CD2 1
513
+ ATOM 78 C CE1 . HIS A 1 9 ? 11.248 2.633 25.002 1.00 6.80 ? 9 HIS A CE1 1
514
+ ATOM 79 N NE2 . HIS A 1 9 ? 11.242 1.317 25.262 1.00 7.27 ? 9 HIS A NE2 1
515
+ ATOM 80 N N . GLU A 1 10 ? 10.136 1.521 18.454 1.00 6.74 ? 10 GLU A N 1
516
+ ATOM 81 C CA . GLU A 1 10 ? 10.259 1.703 17.012 1.00 6.39 ? 10 GLU A CA 1
517
+ ATOM 82 C C . GLU A 1 10 ? 9.745 3.095 16.638 1.00 6.29 ? 10 GLU A C 1
518
+ ATOM 83 O O . GLU A 1 10 ? 9.054 3.757 17.432 1.00 7.06 ? 10 GLU A O 1
519
+ ATOM 84 C CB . GLU A 1 10 ? 9.502 0.608 16.244 1.00 7.30 ? 10 GLU A CB 1
520
+ ATOM 85 C CG . GLU A 1 10 ? 10.042 -0.751 16.585 1.00 9.31 ? 10 GLU A CG 1
521
+ ATOM 86 C CD . GLU A 1 10 ? 9.279 -1.894 15.950 1.00 12.67 ? 10 GLU A CD 1
522
+ ATOM 87 O OE1 . GLU A 1 10 ? 8.464 -1.583 15.043 1.00 13.61 ? 10 GLU A OE1 1
523
+ ATOM 88 O OE2 . GLU A 1 10 ? 9.478 -3.085 16.280 1.00 13.56 ? 10 GLU A OE2 1
524
+ ATOM 89 N N . TRP A 1 11 ? 10.050 3.527 15.416 1.00 6.58 ? 11 TRP A N 1
525
+ ATOM 90 C CA . TRP A 1 11 ? 9.509 4.758 14.867 1.00 6.41 ? 11 TRP A CA 1
526
+ ATOM 91 C C . TRP A 1 11 ? 9.019 4.511 13.433 1.00 6.69 ? 11 TRP A C 1
527
+ ATOM 92 O O . TRP A 1 11 ? 9.460 3.589 12.745 1.00 6.82 ? 11 TRP A O 1
528
+ ATOM 93 C CB . TRP A 1 11 ? 10.520 5.930 14.896 1.00 6.76 ? 11 TRP A CB 1
529
+ ATOM 94 C CG . TRP A 1 11 ? 11.780 5.684 14.116 1.00 6.29 ? 11 TRP A CG 1
530
+ ATOM 95 C CD1 . TRP A 1 11 ? 12.973 5.255 14.622 1.00 6.06 ? 11 TRP A CD1 1
531
+ ATOM 96 C CD2 . TRP A 1 11 ? 12.009 5.835 12.697 1.00 6.50 ? 11 TRP A CD2 1
532
+ ATOM 97 N NE1 . TRP A 1 11 ? 13.911 5.123 13.672 1.00 6.12 ? 11 TRP A NE1 1
533
+ ATOM 98 C CE2 . TRP A 1 11 ? 13.371 5.458 12.446 1.00 6.20 ? 11 TRP A CE2 1
534
+ ATOM 99 C CE3 . TRP A 1 11 ? 11.221 6.224 11.598 1.00 7.20 ? 11 TRP A CE3 1
535
+ ATOM 100 C CZ2 . TRP A 1 11 ? 13.921 5.472 11.169 1.00 7.21 ? 11 TRP A CZ2 1
536
+ ATOM 101 C CZ3 . TRP A 1 11 ? 11.791 6.231 10.322 1.00 8.38 ? 11 TRP A CZ3 1
537
+ ATOM 102 C CH2 . TRP A 1 11 ? 13.126 5.859 10.124 1.00 7.72 ? 11 TRP A CH2 1
538
+ ATOM 103 N N . VAL A 1 12 ? 8.119 5.413 13.018 1.00 7.12 ? 12 VAL A N 1
539
+ ATOM 104 C CA . VAL A 1 12 ? 7.694 5.422 11.609 0.80 7.45 ? 12 VAL A CA 1
540
+ ATOM 105 C C . VAL A 1 12 ? 7.514 6.890 11.209 1.00 7.44 ? 12 VAL A C 1
541
+ ATOM 106 O O . VAL A 1 12 ? 7.019 7.725 11.960 1.00 8.78 ? 12 VAL A O 1
542
+ ATOM 107 C CB . VAL A 1 12 ? 6.418 4.541 11.428 0.80 7.52 ? 12 VAL A CB 1
543
+ ATOM 108 C CG1 . VAL A 1 12 ? 5.214 5.063 12.246 0.80 8.24 ? 12 VAL A CG1 1
544
+ ATOM 109 C CG2 . VAL A 1 12 ? 6.029 4.429 9.953 0.80 7.48 ? 12 VAL A CG2 1
545
+ ATOM 110 N N . THR A 1 13 ? 7.936 7.169 9.970 1.00 7.05 ? 13 THR A N 1
546
+ ATOM 111 C CA . THR A 1 13 ? 7.623 8.406 9.296 1.00 7.45 ? 13 THR A CA 1
547
+ ATOM 112 C C . THR A 1 13 ? 6.765 8.071 8.072 1.00 6.91 ? 13 THR A C 1
548
+ ATOM 113 O O . THR A 1 13 ? 6.914 7.004 7.496 1.00 8.21 ? 13 THR A O 1
549
+ ATOM 114 C CB . THR A 1 13 ? 8.884 9.184 8.849 1.00 8.74 ? 13 THR A CB 1
550
+ ATOM 115 O OG1 . THR A 1 13 ? 9.673 8.387 7.960 1.00 9.34 ? 13 THR A OG1 1
551
+ ATOM 116 C CG2 . THR A 1 13 ? 9.725 9.607 10.025 1.00 10.39 ? 13 THR A CG2 1
552
+ ATOM 117 N N . THR A 1 14 ? 5.883 8.979 7.696 1.00 7.58 ? 14 THR A N 1
553
+ ATOM 118 C CA . THR A 1 14 ? 4.984 8.722 6.593 1.00 8.04 ? 14 THR A CA 1
554
+ ATOM 119 C C . THR A 1 14 ? 4.986 9.861 5.563 1.00 9.90 ? 14 THR A C 1
555
+ ATOM 120 O O . THR A 1 14 ? 5.116 11.020 5.876 1.00 12.70 ? 14 THR A O 1
556
+ ATOM 121 C CB . THR A 1 14 ? 3.540 8.446 7.090 1.00 9.93 ? 14 THR A CB 1
557
+ ATOM 122 O OG1 . THR A 1 14 ? 3.026 9.626 7.726 1.00 14.63 ? 14 THR A OG1 1
558
+ ATOM 123 C CG2 . THR A 1 14 ? 3.461 7.249 7.977 1.00 11.14 ? 14 THR A CG2 1
559
+ ATOM 124 N N . GLU A 1 15 ? 4.792 9.471 4.312 1.00 10.67 ? 15 GLU A N 1
560
+ ATOM 125 C CA . GLU A 1 15 ? 4.605 10.398 3.201 1.00 13.20 ? 15 GLU A CA 1
561
+ ATOM 126 C C . GLU A 1 15 ? 3.885 9.609 2.085 1.00 12.74 ? 15 GLU A C 1
562
+ ATOM 127 O O . GLU A 1 15 ? 4.302 8.532 1.745 1.00 12.85 ? 15 GLU A O 1
563
+ ATOM 128 C CB . GLU A 1 15 ? 5.871 11.029 2.714 1.00 17.56 ? 15 GLU A CB 1
564
+ ATOM 129 C CG . GLU A 1 15 ? 6.960 10.089 2.216 1.00 25.84 ? 15 GLU A CG 1
565
+ ATOM 130 C CD . GLU A 1 15 ? 8.141 10.962 1.866 0.70 28.17 ? 15 GLU A CD 1
566
+ ATOM 131 O OE1 . GLU A 1 15 ? 8.128 12.221 1.908 0.70 35.55 ? 15 GLU A OE1 1
567
+ ATOM 132 O OE2 . GLU A 1 15 ? 9.221 10.448 1.485 0.70 39.72 ? 15 GLU A OE2 1
568
+ ATOM 133 N N . ASN A 1 16 ? 2.848 10.235 1.516 1.00 15.11 ? 16 ASN A N 1
569
+ ATOM 134 C CA . ASN A 1 16 ? 2.324 9.627 0.280 0.63 15.91 ? 16 ASN A CA 1
570
+ ATOM 135 C C . ASN A 1 16 ? 1.810 8.221 0.525 1.00 12.48 ? 16 ASN A C 1
571
+ ATOM 136 O O . ASN A 1 16 ? 1.906 7.391 -0.373 1.00 11.86 ? 16 ASN A O 1
572
+ ATOM 137 C CB . ASN A 1 16 ? 3.379 9.700 -0.847 0.63 16.49 ? 16 ASN A CB 1
573
+ ATOM 138 C CG . ASN A 1 16 ? 4.091 11.025 -1.058 0.63 22.68 ? 16 ASN A CG 1
574
+ ATOM 139 O OD1 . ASN A 1 16 ? 5.305 11.234 -0.886 0.63 27.16 ? 16 ASN A OD1 1
575
+ ATOM 140 N ND2 . ASN A 1 16 ? 3.297 12.025 -1.408 0.63 22.98 ? 16 ASN A ND2 1
576
+ ATOM 141 N N . GLY A 1 17 ? 1.295 7.860 1.741 1.00 11.98 ? 17 GLY A N 1
577
+ ATOM 142 C CA . GLY A 1 17 ? 0.792 6.501 1.968 1.00 10.35 ? 17 GLY A CA 1
578
+ ATOM 143 C C . GLY A 1 17 ? 1.875 5.447 2.120 1.00 8.12 ? 17 GLY A C 1
579
+ ATOM 144 O O . GLY A 1 17 ? 1.558 4.273 2.048 1.00 8.21 ? 17 GLY A O 1
580
+ ATOM 145 N N . VAL A 1 18 ? 3.118 5.890 2.360 1.00 8.32 ? 18 VAL A N 1
581
+ ATOM 146 C CA . VAL A 1 18 ? 4.252 5.016 2.561 1.00 7.84 ? 18 VAL A CA 1
582
+ ATOM 147 C C . VAL A 1 18 ? 4.853 5.343 3.930 1.00 7.25 ? 18 VAL A C 1
583
+ ATOM 148 O O . VAL A 1 18 ? 5.150 6.497 4.218 1.00 8.27 ? 18 VAL A O 1
584
+ ATOM 149 C CB . VAL A 1 18 ? 5.381 5.148 1.460 1.00 8.95 ? 18 VAL A CB 1
585
+ ATOM 150 C CG1 . VAL A 1 18 ? 6.549 4.216 1.724 1.00 9.74 ? 18 VAL A CG1 1
586
+ ATOM 151 C CG2 . VAL A 1 18 ? 4.764 4.877 0.079 1.00 10.50 ? 18 VAL A CG2 1
587
+ ATOM 152 N N . GLY A 1 19 ? 5.097 4.309 4.730 1.00 7.17 ? 19 GLY A N 1
588
+ ATOM 153 C CA . GLY A 1 19 ? 5.783 4.446 5.985 1.00 7.42 ? 19 GLY A CA 1
589
+ ATOM 154 C C . GLY A 1 19 ? 7.215 3.900 5.906 1.00 7.36 ? 19 GLY A C 1
590
+ ATOM 155 O O . GLY A 1 19 ? 7.442 2.851 5.333 1.00 9.50 ? 19 GLY A O 1
591
+ ATOM 156 N N . THR A 1 20 ? 8.149 4.632 6.500 1.00 7.30 ? 20 THR A N 1
592
+ ATOM 157 C CA . THR A 1 20 ? 9.524 4.192 6.701 1.00 7.30 ? 20 THR A CA 1
593
+ ATOM 158 C C . THR A 1 20 ? 9.664 3.872 8.195 1.00 6.99 ? 20 THR A C 1
594
+ ATOM 159 O O . THR A 1 20 ? 9.221 4.671 9.028 1.00 7.39 ? 20 THR A O 1
595
+ ATOM 160 C CB . THR A 1 20 ? 10.508 5.275 6.295 1.00 7.86 ? 20 THR A CB 1
596
+ ATOM 161 O OG1 . THR A 1 20 ? 10.311 5.585 4.900 1.00 8.54 ? 20 THR A OG1 1
597
+ ATOM 162 C CG2 . THR A 1 20 ? 11.946 4.836 6.465 1.00 8.67 ? 20 THR A CG2 1
598
+ ATOM 163 N N . VAL A 1 21 ? 10.229 2.712 8.494 1.00 6.93 ? 21 VAL A N 1
599
+ ATOM 164 C CA . VAL A 1 21 ? 10.255 2.181 9.869 1.00 6.72 ? 21 VAL A CA 1
600
+ ATOM 165 C C . VAL A 1 21 ? 11.708 1.945 10.293 1.00 6.23 ? 21 VAL A C 1
601
+ ATOM 166 O O . VAL A 1 21 ? 12.517 1.401 9.537 1.00 6.79 ? 21 VAL A O 1
602
+ ATOM 167 C CB . VAL A 1 21 ? 9.478 0.845 9.945 1.00 7.35 ? 21 VAL A CB 1
603
+ ATOM 168 C CG1 . VAL A 1 21 ? 9.464 0.294 11.366 1.00 8.42 ? 21 VAL A CG1 1
604
+ ATOM 169 C CG2 . VAL A 1 21 ? 8.039 1.032 9.436 1.00 8.88 ? 21 VAL A CG2 1
605
+ ATOM 170 N N . GLY A 1 22 ? 11.999 2.315 11.553 1.00 6.10 ? 22 GLY A N 1
606
+ ATOM 171 C CA . GLY A 1 22 ? 13.264 1.995 12.158 1.00 6.12 ? 22 GLY A CA 1
607
+ ATOM 172 C C . GLY A 1 22 ? 13.124 1.869 13.664 1.00 5.49 ? 22 GLY A C 1
608
+ ATOM 173 O O . GLY A 1 22 ? 12.006 1.803 14.187 1.00 6.19 ? 22 GLY A O 1
609
+ ATOM 174 N N . ILE A 1 23 ? 14.264 1.820 14.357 1.00 5.31 ? 23 ILE A N 1
610
+ ATOM 175 C CA . ILE A 1 23 ? 14.276 1.805 15.818 1.00 5.06 ? 23 ILE A CA 1
611
+ ATOM 176 C C . ILE A 1 23 ? 14.813 3.148 16.341 1.00 5.05 ? 23 ILE A C 1
612
+ ATOM 177 O O . ILE A 1 23 ? 15.579 3.849 15.692 1.00 5.53 ? 23 ILE A O 1
613
+ ATOM 178 C CB . ILE A 1 23 ? 15.030 0.601 16.415 1.00 5.38 ? 23 ILE A CB 1
614
+ ATOM 179 C CG1 . ILE A 1 23 ? 16.538 0.660 16.190 1.00 7.14 ? 23 ILE A CG1 1
615
+ ATOM 180 C CG2 . ILE A 1 23 ? 14.433 -0.705 15.941 1.00 7.28 ? 23 ILE A CG2 1
616
+ ATOM 181 C CD1 . ILE A 1 23 ? 17.315 -0.323 17.030 1.00 6.16 ? 23 ILE A CD1 1
617
+ ATOM 182 N N . SER A 1 24 ? 14.382 3.484 17.564 1.00 5.19 ? 24 SER A N 1
618
+ ATOM 183 C CA . SER A 1 24 ? 14.759 4.751 18.177 1.00 5.14 ? 24 SER A CA 1
619
+ ATOM 184 C C . SER A 1 24 ? 16.185 4.708 18.734 1.00 4.84 ? 24 SER A C 1
620
+ ATOM 185 O O . SER A 1 24 ? 16.831 3.673 18.846 1.00 5.17 ? 24 SER A O 1
621
+ ATOM 186 C CB . SER A 1 24 ? 13.808 5.129 19.275 1.00 5.40 ? 24 SER A CB 1
622
+ ATOM 187 O OG . SER A 1 24 ? 14.051 4.313 20.427 1.00 5.48 ? 24 SER A OG 1
623
+ ATOM 188 N N . ASN A 1 25 ? 16.656 5.900 19.138 1.00 5.08 ? 25 ASN A N 1
624
+ ATOM 189 C CA . ASN A 1 25 ? 17.968 5.964 19.777 1.00 5.05 ? 25 ASN A CA 1
625
+ ATOM 190 C C . ASN A 1 25 ? 17.988 5.116 21.055 1.00 4.99 ? 25 ASN A C 1
626
+ ATOM 191 O O . ASN A 1 25 ? 18.992 4.440 21.339 1.00 5.26 ? 25 ASN A O 1
627
+ ATOM 192 C CB . ASN A 1 25 ? 18.341 7.418 20.060 1.00 5.40 ? 25 ASN A CB 1
628
+ ATOM 193 C CG . ASN A 1 25 ? 19.704 7.459 20.723 1.00 5.47 ? 25 ASN A CG 1
629
+ ATOM 194 O OD1 . ASN A 1 25 ? 20.736 7.192 20.057 1.00 6.18 ? 25 ASN A OD1 1
630
+ ATOM 195 N ND2 . ASN A 1 25 ? 19.732 7.752 21.990 1.00 6.19 ? 25 ASN A ND2 1
631
+ ATOM 196 N N . PHE A 1 26 ? 16.913 5.177 21.842 1.00 5.08 ? 26 PHE A N 1
632
+ ATOM 197 C CA . PHE A 1 26 ? 16.807 4.389 23.064 1.00 5.32 ? 26 PHE A CA 1
633
+ ATOM 198 C C . PHE A 1 26 ? 16.975 2.909 22.738 1.00 5.17 ? 26 PHE A C 1
634
+ ATOM 199 O O . PHE A 1 26 ? 17.685 2.158 23.434 1.00 5.53 ? 26 PHE A O 1
635
+ ATOM 200 C CB . PHE A 1 26 ? 15.453 4.694 23.730 1.00 5.77 ? 26 PHE A CB 1
636
+ ATOM 201 C CG . PHE A 1 26 ? 15.182 3.937 25.012 1.00 5.82 ? 26 PHE A CG 1
637
+ ATOM 202 C CD1 . PHE A 1 26 ? 15.333 4.541 26.247 1.00 6.70 ? 26 PHE A CD1 1
638
+ ATOM 203 C CD2 . PHE A 1 26 ? 14.721 2.621 24.992 1.00 6.37 ? 26 PHE A CD2 1
639
+ ATOM 204 C CE1 . PHE A 1 26 ? 15.070 3.877 27.426 1.00 8.41 ? 26 PHE A CE1 1
640
+ ATOM 205 C CE2 . PHE A 1 26 ? 14.472 1.956 26.167 1.00 7.76 ? 26 PHE A CE2 1
641
+ ATOM 206 C CZ . PHE A 1 26 ? 14.621 2.570 27.376 1.00 8.27 ? 26 PHE A CZ 1
642
+ ATOM 207 N N . ALA A 1 27 ? 16.306 2.453 21.674 1.00 5.14 ? 27 ALA A N 1
643
+ ATOM 208 C CA . ALA A 1 27 ? 16.391 1.067 21.272 1.00 5.05 ? 27 ALA A CA 1
644
+ ATOM 209 C C . ALA A 1 27 ? 17.803 0.656 20.829 1.00 5.02 ? 27 ALA A C 1
645
+ ATOM 210 O O . ALA A 1 27 ? 18.288 -0.432 21.170 1.00 5.60 ? 27 ALA A O 1
646
+ ATOM 211 C CB . ALA A 1 27 ? 15.392 0.788 20.152 1.00 5.42 ? 27 ALA A CB 1
647
+ ATOM 212 N N . GLN A 1 28 ? 18.472 1.501 20.029 1.00 5.25 ? 28 GLN A N 1
648
+ ATOM 213 C CA . GLN A 1 28 ? 19.781 1.099 19.540 1.00 5.19 ? 28 GLN A CA 1
649
+ ATOM 214 C C . GLN A 1 28 ? 20.792 1.071 20.713 1.00 5.33 ? 28 GLN A C 1
650
+ ATOM 215 O O . GLN A 1 28 ? 21.643 0.187 20.771 1.00 5.79 ? 28 GLN A O 1
651
+ ATOM 216 C CB . GLN A 1 28 ? 20.245 1.929 18.334 1.00 5.77 ? 28 GLN A CB 1
652
+ ATOM 217 C CG . GLN A 1 28 ? 20.665 3.376 18.596 1.00 5.95 ? 28 GLN A CG 1
653
+ ATOM 218 C CD . GLN A 1 28 ? 22.047 3.541 19.200 1.00 5.90 ? 28 GLN A CD 1
654
+ ATOM 219 O OE1 . GLN A 1 28 ? 22.897 2.615 19.152 1.00 6.47 ? 28 GLN A OE1 1
655
+ ATOM 220 N NE2 . GLN A 1 28 ? 22.303 4.696 19.782 1.00 6.87 ? 28 GLN A NE2 1
656
+ ATOM 221 N N . GLU A 1 29 ? 20.658 2.025 21.642 1.00 5.43 ? 29 GLU A N 1
657
+ ATOM 222 C CA . GLU A 1 29 ? 21.479 1.981 22.841 0.77 6.04 ? 29 GLU A CA 1
658
+ ATOM 223 C C . GLU A 1 29 ? 21.295 0.676 23.599 1.00 5.85 ? 29 GLU A C 1
659
+ ATOM 224 O O . GLU A 1 29 ? 22.260 0.054 24.078 1.00 6.60 ? 29 GLU A O 1
660
+ ATOM 225 C CB . GLU A 1 29 ? 21.103 3.118 23.827 0.77 6.27 ? 29 GLU A CB 1
661
+ ATOM 226 C CG . GLU A 1 29 ? 21.639 4.470 23.378 0.77 6.33 ? 29 GLU A CG 1
662
+ ATOM 227 C CD . GLU A 1 29 ? 21.429 5.502 24.520 0.77 6.72 ? 29 GLU A CD 1
663
+ ATOM 228 O OE1 . GLU A 1 29 ? 21.172 5.164 25.689 0.77 8.97 ? 29 GLU A OE1 1
664
+ ATOM 229 O OE2 . GLU A 1 29 ? 21.557 6.707 24.127 0.77 7.70 ? 29 GLU A OE2 1
665
+ ATOM 230 N N . ALA A 1 30 ? 20.046 0.240 23.760 1.00 5.90 ? 30 ALA A N 1
666
+ ATOM 231 C CA . ALA A 1 30 ? 19.755 -0.966 24.529 1.00 6.22 ? 30 ALA A CA 1
667
+ ATOM 232 C C . ALA A 1 30 ? 20.368 -2.200 23.896 1.00 6.26 ? 30 ALA A C 1
668
+ ATOM 233 O O . ALA A 1 30 ? 20.782 -3.124 24.599 1.00 7.51 ? 30 ALA A O 1
669
+ ATOM 234 C CB . ALA A 1 30 ? 18.245 -1.156 24.705 1.00 7.06 ? 30 ALA A CB 1
670
+ ATOM 235 N N . LEU A 1 31 ? 20.398 -2.255 22.555 1.00 5.84 ? 31 LEU A N 1
671
+ ATOM 236 C CA . LEU A 1 31 ? 21.027 -3.381 21.839 1.00 6.46 ? 31 LEU A CA 1
672
+ ATOM 237 C C . LEU A 1 31 ? 22.540 -3.344 21.902 1.00 6.12 ? 31 LEU A C 1
673
+ ATOM 238 O O . LEU A 1 31 ? 23.166 -4.434 21.947 1.00 6.87 ? 31 LEU A O 1
674
+ ATOM 239 C CB . LEU A 1 31 ? 20.611 -3.363 20.356 1.00 6.72 ? 31 LEU A CB 1
675
+ ATOM 240 C CG . LEU A 1 31 ? 19.294 -4.056 20.078 1.00 6.93 ? 31 LEU A CG 1
676
+ ATOM 241 C CD1 . LEU A 1 31 ? 18.743 -3.574 18.726 1.00 8.37 ? 31 LEU A CD1 1
677
+ ATOM 242 C CD2 . LEU A 1 31 ? 19.467 -5.565 20.126 1.00 9.15 ? 31 LEU A CD2 1
678
+ ATOM 243 N N . GLY A 1 32 ? 23.158 -2.189 21.850 1.00 6.27 ? 32 GLY A N 1
679
+ ATOM 244 C CA . GLY A 1 32 ? 24.583 -2.115 21.498 1.00 6.99 ? 32 GLY A CA 1
680
+ ATOM 245 C C . GLY A 1 32 ? 24.776 -2.448 20.025 1.00 6.46 ? 32 GLY A C 1
681
+ ATOM 246 O O . GLY A 1 32 ? 23.847 -2.450 19.226 1.00 6.93 ? 32 GLY A O 1
682
+ ATOM 247 N N . ASP A 1 33 ? 26.057 -2.694 19.643 1.00 6.81 ? 33 ASP A N 1
683
+ ATOM 248 C CA . ASP A 1 33 ? 26.405 -2.749 18.225 0.80 6.85 ? 33 ASP A CA 1
684
+ ATOM 249 C C . ASP A 1 33 ? 25.597 -3.872 17.517 1.00 6.37 ? 33 ASP A C 1
685
+ ATOM 250 O O . ASP A 1 33 ? 25.679 -5.042 17.892 1.00 6.83 ? 33 ASP A O 1
686
+ ATOM 251 C CB . ASP A 1 33 ? 27.891 -3.061 18.025 0.80 7.61 ? 33 ASP A CB 1
687
+ ATOM 252 C CG . ASP A 1 33 ? 28.815 -1.950 18.458 0.80 10.80 ? 33 ASP A CG 1
688
+ ATOM 253 O OD1 . ASP A 1 33 ? 28.381 -0.818 18.729 0.80 16.44 ? 33 ASP A OD1 1
689
+ ATOM 254 O OD2 . ASP A 1 33 ? 30.024 -2.261 18.624 0.80 18.37 ? 33 ASP A OD2 1
690
+ ATOM 255 N N . VAL A 1 34 ? 24.877 -3.489 16.477 1.00 6.34 ? 34 VAL A N 1
691
+ ATOM 256 C CA . VAL A 1 34 ? 24.058 -4.432 15.739 1.00 6.04 ? 34 VAL A CA 1
692
+ ATOM 257 C C . VAL A 1 34 ? 24.944 -5.208 14.763 1.00 6.17 ? 34 VAL A C 1
693
+ ATOM 258 O O . VAL A 1 34 ? 25.673 -4.640 13.950 1.00 7.36 ? 34 VAL A O 1
694
+ ATOM 259 C CB . VAL A 1 34 ? 22.894 -3.708 15.010 1.00 6.60 ? 34 VAL A CB 1
695
+ ATOM 260 C CG1 . VAL A 1 34 ? 22.130 -4.656 14.141 1.00 7.16 ? 34 VAL A CG1 1
696
+ ATOM 261 C CG2 . VAL A 1 34 ? 21.979 -3.048 16.026 1.00 7.64 ? 34 VAL A CG2 1
697
+ ATOM 262 N N . VAL A 1 35 ? 24.873 -6.548 14.855 1.00 5.97 ? 35 VAL A N 1
698
+ ATOM 263 C CA . VAL A 1 35 ? 25.687 -7.438 14.068 1.00 6.60 ? 35 VAL A CA 1
699
+ ATOM 264 C C . VAL A 1 35 ? 24.957 -8.058 12.891 1.00 6.72 ? 35 VAL A C 1
700
+ ATOM 265 O O . VAL A 1 35 ? 25.605 -8.612 11.995 1.00 7.94 ? 35 VAL A O 1
701
+ ATOM 266 C CB . VAL A 1 35 ? 26.342 -8.561 14.916 1.00 7.26 ? 35 VAL A CB 1
702
+ ATOM 267 C CG1 . VAL A 1 35 ? 27.181 -7.942 16.034 1.00 8.40 ? 35 VAL A CG1 1
703
+ ATOM 268 C CG2 . VAL A 1 35 ? 25.338 -9.563 15.438 1.00 7.77 ? 35 VAL A CG2 1
704
+ ATOM 269 N N . TYR A 1 36 ? 23.606 -7.995 12.878 1.00 6.51 ? 36 TYR A N 1
705
+ ATOM 270 C CA . TYR A 1 36 ? 22.822 -8.626 11.813 1.00 6.68 ? 36 TYR A CA 1
706
+ ATOM 271 C C . TYR A 1 36 ? 21.418 -8.077 11.864 1.00 6.59 ? 36 TYR A C 1
707
+ ATOM 272 O O . TYR A 1 36 ? 20.853 -7.895 12.942 1.00 7.17 ? 36 TYR A O 1
708
+ ATOM 273 C CB . TYR A 1 36 ? 22.777 -10.181 11.995 1.00 7.51 ? 36 TYR A CB 1
709
+ ATOM 274 C CG . TYR A 1 36 ? 22.121 -10.866 10.844 1.00 7.76 ? 36 TYR A CG 1
710
+ ATOM 275 C CD1 . TYR A 1 36 ? 22.795 -11.059 9.653 1.00 9.69 ? 36 TYR A CD1 1
711
+ ATOM 276 C CD2 . TYR A 1 36 ? 20.816 -11.268 10.915 1.00 9.80 ? 36 TYR A CD2 1
712
+ ATOM 277 C CE1 . TYR A 1 36 ? 22.214 -11.653 8.565 1.00 12.58 ? 36 TYR A CE1 1
713
+ ATOM 278 C CE2 . TYR A 1 36 ? 20.195 -11.879 9.815 1.00 13.36 ? 36 TYR A CE2 1
714
+ ATOM 279 C CZ . TYR A 1 36 ? 20.891 -12.059 8.658 1.00 14.19 ? 36 TYR A CZ 1
715
+ ATOM 280 O OH . TYR A 1 36 ? 20.263 -12.664 7.590 1.00 21.83 ? 36 TYR A OH 1
716
+ ATOM 281 N N . CYS A 1 37 ? 20.852 -7.869 10.680 1.00 6.85 ? 37 CYS A N 1
717
+ ATOM 282 C CA . CYS A 1 37 ? 19.481 -7.408 10.526 1.00 7.24 ? 37 CYS A CA 1
718
+ ATOM 283 C C . CYS A 1 37 ? 18.725 -8.428 9.675 1.00 7.65 ? 37 CYS A C 1
719
+ ATOM 284 O O . CYS A 1 37 ? 19.028 -8.599 8.506 1.00 9.45 ? 37 CYS A O 1
720
+ ATOM 285 C CB . CYS A 1 37 ? 19.427 -6.035 9.844 1.00 8.24 ? 37 CYS A CB 1
721
+ ATOM 286 S SG . CYS A 1 37 ? 20.364 -4.745 10.709 1.00 8.24 ? 37 CYS A SG 1
722
+ ATOM 287 N N . SER A 1 38 ? 17.713 -9.056 10.278 1.00 7.55 ? 38 SER A N 1
723
+ ATOM 288 C CA . SER A 1 38 ? 16.840 -10.017 9.591 1.00 7.96 ? 38 SER A CA 1
724
+ ATOM 289 C C . SER A 1 38 ? 15.585 -9.261 9.131 1.00 7.96 ? 38 SER A C 1
725
+ ATOM 290 O O . SER A 1 38 ? 14.799 -8.823 9.971 1.00 8.76 ? 38 SER A O 1
726
+ ATOM 291 C CB . SER A 1 38 ? 16.448 -11.154 10.519 1.00 10.20 ? 38 SER A CB 1
727
+ ATOM 292 O OG . SER A 1 38 ? 15.720 -12.110 9.844 1.00 15.82 ? 38 SER A OG 1
728
+ ATOM 293 N N . LEU A 1 39 ? 15.444 -9.102 7.809 1.00 8.17 ? 39 LEU A N 1
729
+ ATOM 294 C CA . LEU A 1 39 ? 14.445 -8.210 7.240 1.00 8.82 ? 39 LEU A CA 1
730
+ ATOM 295 C C . LEU A 1 39 ? 13.537 -9.036 6.293 1.00 8.86 ? 39 LEU A C 1
731
+ ATOM 296 O O . LEU A 1 39 ? 13.955 -10.062 5.744 1.00 10.45 ? 39 LEU A O 1
732
+ ATOM 297 C CB . LEU A 1 39 ? 15.137 -7.087 6.457 1.00 10.45 ? 39 LEU A CB 1
733
+ ATOM 298 C CG . LEU A 1 39 ? 16.022 -6.177 7.328 1.00 14.07 ? 39 LEU A CG 1
734
+ ATOM 299 C CD1 . LEU A 1 39 ? 16.806 -5.194 6.489 1.00 22.09 ? 39 LEU A CD1 1
735
+ ATOM 300 C CD2 . LEU A 1 39 ? 15.188 -5.476 8.371 1.00 18.98 ? 39 LEU A CD2 1
736
+ ATOM 301 N N . PRO A 1 40 ? 12.302 -8.576 6.125 1.00 9.00 ? 40 PRO A N 1
737
+ ATOM 302 C CA . PRO A 1 40 ? 11.326 -9.345 5.326 1.00 9.66 ? 40 PRO A CA 1
738
+ ATOM 303 C C . PRO A 1 40 ? 11.552 -9.174 3.831 1.00 9.75 ? 40 PRO A C 1
739
+ ATOM 304 O O . PRO A 1 40 ? 12.223 -8.268 3.366 1.00 15.03 ? 40 PRO A O 1
740
+ ATOM 305 C CB . PRO A 1 40 ? 10.000 -8.721 5.776 1.00 10.00 ? 40 PRO A CB 1
741
+ ATOM 306 C CG . PRO A 1 40 ? 10.342 -7.295 6.058 1.00 9.79 ? 40 PRO A CG 1
742
+ ATOM 307 C CD . PRO A 1 40 ? 11.710 -7.367 6.716 1.00 9.23 ? 40 PRO A CD 1
743
+ ATOM 308 N N . GLU A 1 41 ? 10.939 -10.024 3.054 1.00 9.90 ? 41 GLU A N 1
744
+ ATOM 309 C CA . GLU A 1 41 ? 10.926 -9.908 1.597 0.53 10.64 ? 41 GLU A CA 1
745
+ ATOM 310 C C . GLU A 1 41 ? 10.055 -8.753 1.159 1.00 9.40 ? 41 GLU A C 1
746
+ ATOM 311 O O . GLU A 1 41 ? 8.967 -8.542 1.693 1.00 9.54 ? 41 GLU A O 1
747
+ ATOM 312 C CB . GLU A 1 41 ? 10.327 -11.222 1.066 0.53 13.88 ? 41 GLU A CB 1
748
+ ATOM 313 C CG . GLU A 1 41 ? 10.525 -11.335 -0.436 0.53 17.64 ? 41 GLU A CG 1
749
+ ATOM 314 C CD . GLU A 1 41 ? 10.056 -12.636 -1.034 0.53 20.98 ? 41 GLU A CD 1
750
+ ATOM 315 O OE1 . GLU A 1 41 ? 9.631 -13.486 -0.227 0.53 30.49 ? 41 GLU A OE1 1
751
+ ATOM 316 O OE2 . GLU A 1 41 ? 10.114 -12.785 -2.251 0.53 36.49 ? 41 GLU A OE2 1
752
+ ATOM 317 N N . VAL A 1 42 ? 10.457 -8.043 0.106 1.00 10.37 ? 42 VAL A N 1
753
+ ATOM 318 C CA . VAL A 1 42 ? 9.571 -7.082 -0.554 1.00 9.71 ? 42 VAL A CA 1
754
+ ATOM 319 C C . VAL A 1 42 ? 8.302 -7.827 -0.985 1.00 8.94 ? 42 VAL A C 1
755
+ ATOM 320 O O . VAL A 1 42 ? 8.369 -8.952 -1.495 1.00 10.31 ? 42 VAL A O 1
756
+ ATOM 321 C CB . VAL A 1 42 ? 10.308 -6.389 -1.706 1.00 10.88 ? 42 VAL A CB 1
757
+ ATOM 322 C CG1 . VAL A 1 42 ? 9.332 -5.588 -2.571 1.00 12.30 ? 42 VAL A CG1 1
758
+ ATOM 323 C CG2 . VAL A 1 42 ? 11.425 -5.485 -1.206 1.00 13.97 ? 42 VAL A CG2 1
759
+ ATOM 324 N N . GLY A 1 43 ? 7.145 -7.201 -0.773 1.00 9.04 ? 43 GLY A N 1
760
+ ATOM 325 C CA . GLY A 1 43 ? 5.871 -7.769 -1.067 1.00 9.31 ? 43 GLY A CA 1
761
+ ATOM 326 C C . GLY A 1 43 ? 5.220 -8.483 0.121 1.00 9.00 ? 43 GLY A C 1
762
+ ATOM 327 O O . GLY A 1 43 ? 4.070 -8.914 0.027 1.00 10.40 ? 43 GLY A O 1
763
+ ATOM 328 N N . THR A 1 44 ? 5.906 -8.605 1.248 1.00 8.87 ? 44 THR A N 1
764
+ ATOM 329 C CA . THR A 1 44 ? 5.296 -9.220 2.419 1.00 9.04 ? 44 THR A CA 1
765
+ ATOM 330 C C . THR A 1 44 ? 4.143 -8.385 2.937 1.00 8.28 ? 44 THR A C 1
766
+ ATOM 331 O O . THR A 1 44 ? 4.307 -7.187 3.170 1.00 8.93 ? 44 THR A O 1
767
+ ATOM 332 C CB . THR A 1 44 ? 6.381 -9.348 3.551 1.00 9.65 ? 44 THR A CB 1
768
+ ATOM 333 O OG1 . THR A 1 44 ? 7.426 -10.204 3.114 1.00 10.42 ? 44 THR A OG1 1
769
+ ATOM 334 C CG2 . THR A 1 44 ? 5.788 -9.946 4.800 1.00 11.35 ? 44 THR A CG2 1
770
+ ATOM 335 N N . LYS A 1 45 ? 2.997 -9.012 3.164 1.00 8.96 ? 45 LYS A N 1
771
+ ATOM 336 C CA . LYS A 1 45 ? 1.865 -8.397 3.821 0.70 8.71 ? 45 LYS A CA 1
772
+ ATOM 337 C C . LYS A 1 45 ? 2.085 -8.410 5.333 1.00 8.59 ? 45 LYS A C 1
773
+ ATOM 338 O O . LYS A 1 45 ? 2.489 -9.435 5.899 1.00 11.01 ? 45 LYS A O 1
774
+ ATOM 339 C CB . LYS A 1 45 ? 0.555 -9.129 3.560 0.70 9.49 ? 45 LYS A CB 1
775
+ ATOM 340 C CG . LYS A 1 45 ? 0.133 -8.988 2.105 0.70 11.79 ? 45 LYS A CG 1
776
+ ATOM 341 C CD . LYS A 1 45 ? -1.037 -9.859 1.755 0.70 13.16 ? 45 LYS A CD 1
777
+ ATOM 342 C CE . LYS A 1 45 ? -2.267 -9.703 2.628 0.70 13.49 ? 45 LYS A CE 1
778
+ ATOM 343 N NZ . LYS A 1 45 ? -3.388 -10.571 2.158 0.70 15.31 ? 45 LYS A NZ 1
779
+ ATOM 344 N N . LEU A 1 46 ? 1.804 -7.283 6.001 1.00 8.25 ? 46 LEU A N 1
780
+ ATOM 345 C CA . LEU A 1 46 ? 1.902 -7.176 7.433 1.00 8.20 ? 46 LEU A CA 1
781
+ ATOM 346 C C . LEU A 1 46 ? 0.597 -6.636 8.000 1.00 8.60 ? 46 LEU A C 1
782
+ ATOM 347 O O . LEU A 1 46 ? 0.002 -5.709 7.476 1.00 9.15 ? 46 LEU A O 1
783
+ ATOM 348 C CB . LEU A 1 46 ? 3.022 -6.237 7.854 1.00 8.47 ? 46 LEU A CB 1
784
+ ATOM 349 C CG . LEU A 1 46 ? 4.424 -6.705 7.460 1.00 8.86 ? 46 LEU A CG 1
785
+ ATOM 350 C CD1 . LEU A 1 46 ? 5.460 -5.610 7.660 1.00 9.39 ? 46 LEU A CD1 1
786
+ ATOM 351 C CD2 . LEU A 1 46 ? 4.821 -7.952 8.229 1.00 10.09 ? 46 LEU A CD2 1
787
+ ATOM 352 N N . ASN A 1 47 ? 0.175 -7.187 9.146 1.00 9.36 ? 47 ASN A N 1
788
+ ATOM 353 C CA . ASN A 1 47 ? -0.793 -6.552 10.021 1.00 9.79 ? 47 ASN A CA 1
789
+ ATOM 354 C C . ASN A 1 47 ? -0.108 -5.720 11.086 1.00 9.66 ? 47 ASN A C 1
790
+ ATOM 355 O O . ASN A 1 47 ? 1.012 -6.069 11.497 1.00 9.73 ? 47 ASN A O 1
791
+ ATOM 356 C CB . ASN A 1 47 ? -1.663 -7.621 10.701 1.00 11.46 ? 47 ASN A CB 1
792
+ ATOM 357 C CG . ASN A 1 47 ? -2.433 -8.402 9.700 1.00 14.94 ? 47 ASN A CG 1
793
+ ATOM 358 O OD1 . ASN A 1 47 ? -3.003 -7.816 8.742 1.00 16.97 ? 47 ASN A OD1 1
794
+ ATOM 359 N ND2 . ASN A 1 47 ? -2.480 -9.694 9.854 1.00 23.07 ? 47 ASN A ND2 1
795
+ ATOM 360 N N . LYS A 1 48 ? -0.734 -4.630 11.565 1.00 9.87 ? 48 LYS A N 1
796
+ ATOM 361 C CA . LYS A 1 48 ? -0.134 -3.923 12.692 0.44 9.79 ? 48 LYS A CA 1
797
+ ATOM 362 C C . LYS A 1 48 ? 0.097 -4.919 13.844 1.00 9.81 ? 48 LYS A C 1
798
+ ATOM 363 O O . LYS A 1 48 ? -0.762 -5.754 14.143 1.00 11.34 ? 48 LYS A O 1
799
+ ATOM 364 C CB . LYS A 1 48 ? -1.058 -2.750 13.045 0.44 9.50 ? 48 LYS A CB 1
800
+ ATOM 365 C CG . LYS A 1 48 ? -0.458 -1.794 14.039 0.44 10.57 ? 48 LYS A CG 1
801
+ ATOM 366 C CD . LYS A 1 48 ? -1.174 -0.508 14.351 0.44 9.89 ? 48 LYS A CD 1
802
+ ATOM 367 C CE . LYS A 1 48 ? -0.736 0.292 15.560 0.44 9.47 ? 48 LYS A CE 1
803
+ ATOM 368 N NZ . LYS A 1 48 ? -1.167 -0.193 16.878 0.44 11.91 ? 48 LYS A NZ 1
804
+ ATOM 369 N N . GLN A 1 49 ? 1.258 -4.823 14.443 1.00 9.99 ? 49 GLN A N 1
805
+ ATOM 370 C CA . GLN A 1 49 ? 1.714 -5.659 15.534 0.63 10.91 ? 49 GLN A CA 1
806
+ ATOM 371 C C . GLN A 1 49 ? 2.381 -6.947 15.062 1.00 10.25 ? 49 GLN A C 1
807
+ ATOM 372 O O . GLN A 1 49 ? 2.979 -7.656 15.893 1.00 12.67 ? 49 GLN A O 1
808
+ ATOM 373 C CB . GLN A 1 49 ? 0.604 -6.044 16.569 0.63 14.59 ? 49 GLN A CB 1
809
+ ATOM 374 C CG . GLN A 1 49 ? -0.064 -4.852 17.218 0.63 17.29 ? 49 GLN A CG 1
810
+ ATOM 375 C CD . GLN A 1 49 ? 0.988 -3.906 17.758 0.63 19.43 ? 49 GLN A CD 1
811
+ ATOM 376 O OE1 . GLN A 1 49 ? 1.936 -4.104 18.504 0.63 32.82 ? 49 GLN A OE1 1
812
+ ATOM 377 N NE2 . GLN A 1 49 ? 0.899 -2.725 17.314 0.63 13.80 ? 49 GLN A NE2 1
813
+ ATOM 378 N N . GLU A 1 50 ? 2.298 -7.289 13.782 1.00 10.31 ? 50 GLU A N 1
814
+ ATOM 379 C CA . GLU A 1 50 ? 2.844 -8.563 13.300 1.00 10.50 ? 50 GLU A CA 1
815
+ ATOM 380 C C . GLU A 1 50 ? 4.375 -8.512 13.276 1.00 9.92 ? 50 GLU A C 1
816
+ ATOM 381 O O . GLU A 1 50 ? 4.985 -7.518 12.850 1.00 9.83 ? 50 GLU A O 1
817
+ ATOM 382 C CB . GLU A 1 50 ? 2.332 -8.894 11.900 1.00 10.44 ? 50 GLU A CB 1
818
+ ATOM 383 C CG . GLU A 1 50 ? 2.771 -10.214 11.377 1.00 11.60 ? 50 GLU A CG 1
819
+ ATOM 384 C CD . GLU A 1 50 ? 2.185 -10.575 10.040 1.00 12.61 ? 50 GLU A CD 1
820
+ ATOM 385 O OE1 . GLU A 1 50 ? 1.427 -9.834 9.449 1.00 12.04 ? 50 GLU A OE1 1
821
+ ATOM 386 O OE2 . GLU A 1 50 ? 2.549 -11.701 9.578 1.00 22.10 ? 50 GLU A OE2 1
822
+ ATOM 387 N N . GLU A 1 51 ? 5.021 -9.602 13.665 1.00 11.15 ? 51 GLU A N 1
823
+ ATOM 388 C CA . GLU A 1 51 ? 6.485 -9.697 13.494 1.00 10.40 ? 51 GLU A CA 1
824
+ ATOM 389 C C . GLU A 1 51 ? 6.876 -9.517 12.047 1.00 9.90 ? 51 GLU A C 1
825
+ ATOM 390 O O . GLU A 1 51 ? 6.289 -10.114 11.133 1.00 11.78 ? 51 GLU A O 1
826
+ ATOM 391 C CB . GLU A 1 51 ? 6.936 -11.088 13.970 1.00 13.02 ? 51 GLU A CB 1
827
+ ATOM 392 C CG . GLU A 1 51 ? 6.765 -11.362 15.397 0.64 14.04 ? 51 GLU A CG 1
828
+ ATOM 393 C CD . GLU A 1 51 ? 7.280 -12.719 15.819 0.64 15.77 ? 51 GLU A CD 1
829
+ ATOM 394 O OE1 . GLU A 1 51 ? 7.587 -12.850 17.045 0.64 19.62 ? 51 GLU A OE1 1
830
+ ATOM 395 O OE2 . GLU A 1 51 ? 7.464 -13.641 14.998 0.64 20.84 ? 51 GLU A OE2 1
831
+ ATOM 396 N N . PHE A 1 52 ? 7.959 -8.725 11.829 1.00 9.19 ? 52 PHE A N 1
832
+ ATOM 397 C CA . PHE A 1 52 ? 8.516 -8.610 10.504 1.00 9.56 ? 52 PHE A CA 1
833
+ ATOM 398 C C . PHE A 1 52 ? 9.974 -8.913 10.416 1.00 8.82 ? 52 PHE A C 1
834
+ ATOM 399 O O . PHE A 1 52 ? 10.516 -8.961 9.285 1.00 10.22 ? 52 PHE A O 1
835
+ ATOM 400 C CB . PHE A 1 52 ? 8.178 -7.257 9.833 1.00 9.71 ? 52 PHE A CB 1
836
+ ATOM 401 C CG . PHE A 1 52 ? 8.868 -6.025 10.389 1.00 9.19 ? 52 PHE A CG 1
837
+ ATOM 402 C CD1 . PHE A 1 52 ? 10.132 -5.653 9.916 1.00 9.57 ? 52 PHE A CD1 1
838
+ ATOM 403 C CD2 . PHE A 1 52 ? 8.256 -5.201 11.284 1.00 10.10 ? 52 PHE A CD2 1
839
+ ATOM 404 C CE1 . PHE A 1 52 ? 10.736 -4.470 10.358 1.00 9.78 ? 52 PHE A CE1 1
840
+ ATOM 405 C CE2 . PHE A 1 52 ? 8.859 -4.020 11.710 1.00 10.30 ? 52 PHE A CE2 1
841
+ ATOM 406 C CZ . PHE A 1 52 ? 10.099 -3.656 11.226 1.00 9.66 ? 52 PHE A CZ 1
842
+ ATOM 407 N N . GLY A 1 53 ? 10.701 -9.118 11.512 1.00 8.61 ? 53 GLY A N 1
843
+ ATOM 408 C CA . GLY A 1 53 ? 12.110 -9.385 11.439 1.00 9.00 ? 53 GLY A CA 1
844
+ ATOM 409 C C . GLY A 1 53 ? 12.710 -9.276 12.852 1.00 7.56 ? 53 GLY A C 1
845
+ ATOM 410 O O . GLY A 1 53 ? 11.985 -9.293 13.841 1.00 7.92 ? 53 GLY A O 1
846
+ ATOM 411 N N . ALA A 1 54 ? 14.035 -9.142 12.857 1.00 7.35 ? 54 ALA A N 1
847
+ ATOM 412 C CA . ALA A 1 54 ? 14.732 -9.067 14.143 1.00 7.16 ? 54 ALA A CA 1
848
+ ATOM 413 C C . ALA A 1 54 ? 16.109 -8.419 13.909 1.00 6.98 ? 54 ALA A C 1
849
+ ATOM 414 O O . ALA A 1 54 ? 16.683 -8.493 12.829 1.00 10.08 ? 54 ALA A O 1
850
+ ATOM 415 C CB . ALA A 1 54 ? 14.927 -10.461 14.763 1.00 8.69 ? 54 ALA A CB 1
851
+ ATOM 416 N N . LEU A 1 55 ? 16.598 -7.790 14.969 1.00 6.04 ? 55 LEU A N 1
852
+ ATOM 417 C CA . LEU A 1 55 ? 17.953 -7.288 15.020 1.00 5.96 ? 55 LEU A CA 1
853
+ ATOM 418 C C . LEU A 1 55 ? 18.746 -8.132 16.023 1.00 6.21 ? 55 LEU A C 1
854
+ ATOM 419 O O . LEU A 1 55 ? 18.208 -8.548 17.053 1.00 8.46 ? 55 LEU A O 1
855
+ ATOM 420 C CB . LEU A 1 55 ? 17.968 -5.820 15.470 1.00 6.37 ? 55 LEU A CB 1
856
+ ATOM 421 C CG . LEU A 1 55 ? 17.147 -4.881 14.594 1.00 6.77 ? 55 LEU A CG 1
857
+ ATOM 422 C CD1 . LEU A 1 55 ? 17.140 -3.485 15.193 1.00 8.79 ? 55 LEU A CD1 1
858
+ ATOM 423 C CD2 . LEU A 1 55 ? 17.576 -4.894 13.151 1.00 9.24 ? 55 LEU A CD2 1
859
+ ATOM 424 N N . GLU A 1 56 ? 20.024 -8.360 15.717 1.00 5.70 ? 56 GLU A N 1
860
+ ATOM 425 C CA . GLU A 1 56 ? 20.916 -9.114 16.591 1.00 5.86 ? 56 GLU A CA 1
861
+ ATOM 426 C C . GLU A 1 56 ? 22.071 -8.228 17.034 1.00 5.50 ? 56 GLU A C 1
862
+ ATOM 427 O O . GLU A 1 56 ? 22.639 -7.501 16.220 1.00 6.14 ? 56 GLU A O 1
863
+ ATOM 428 C CB . GLU A 1 56 ? 21.535 -10.296 15.818 1.00 6.48 ? 56 GLU A CB 1
864
+ ATOM 429 C CG . GLU A 1 56 ? 20.546 -11.280 15.264 1.00 6.97 ? 56 GLU A CG 1
865
+ ATOM 430 C CD . GLU A 1 56 ? 19.801 -12.101 16.301 1.00 6.88 ? 56 GLU A CD 1
866
+ ATOM 431 O OE1 . GLU A 1 56 ? 20.413 -12.368 17.371 1.00 7.51 ? 56 GLU A OE1 1
867
+ ATOM 432 O OE2 . GLU A 1 56 ? 18.657 -12.529 16.041 1.00 9.13 ? 56 GLU A OE2 1
868
+ ATOM 433 N N . SER A 1 57 ? 22.458 -8.371 18.302 1.00 5.87 ? 57 SER A N 1
869
+ ATOM 434 C CA . SER A 1 57 ? 23.685 -7.791 18.831 1.00 5.65 ? 57 SER A CA 1
870
+ ATOM 435 C C . SER A 1 57 ? 24.357 -8.863 19.695 1.00 5.25 ? 57 SER A C 1
871
+ ATOM 436 O O . SER A 1 57 ? 23.780 -9.923 19.941 1.00 5.66 ? 57 SER A O 1
872
+ ATOM 437 C CB . SER A 1 57 ? 23.413 -6.536 19.638 1.00 5.90 ? 57 SER A CB 1
873
+ ATOM 438 O OG . SER A 1 57 ? 22.753 -6.886 20.850 1.00 6.08 ? 57 SER A OG 1
874
+ ATOM 439 N N . VAL A 1 58 ? 25.558 -8.583 20.210 1.00 5.58 ? 58 VAL A N 1
875
+ ATOM 440 C CA . VAL A 1 58 ? 26.144 -9.503 21.194 1.00 5.54 ? 58 VAL A CA 1
876
+ ATOM 441 C C . VAL A 1 58 ? 25.213 -9.691 22.377 1.00 5.34 ? 58 VAL A C 1
877
+ ATOM 442 O O . VAL A 1 58 ? 25.081 -10.803 22.930 1.00 5.63 ? 58 VAL A O 1
878
+ ATOM 443 C CB . VAL A 1 58 ? 27.530 -9.023 21.621 1.00 5.84 ? 58 VAL A CB 1
879
+ ATOM 444 C CG1 . VAL A 1 58 ? 28.057 -9.842 22.811 1.00 6.33 ? 58 VAL A CG1 1
880
+ ATOM 445 C CG2 . VAL A 1 58 ? 28.522 -9.088 20.479 1.00 6.65 ? 58 VAL A CG2 1
881
+ ATOM 446 N N . LYS A 1 59 ? 24.562 -8.617 22.827 1.00 5.54 ? 59 LYS A N 1
882
+ ATOM 447 C CA . LYS A 1 59 ? 23.707 -8.680 23.985 0.31 5.78 ? 59 LYS A CA 1
883
+ ATOM 448 C C . LYS A 1 59 ? 22.404 -9.447 23.823 1.00 5.51 ? 59 LYS A C 1
884
+ ATOM 449 O O . LYS A 1 59 ? 21.984 -10.148 24.753 1.00 6.25 ? 59 LYS A O 1
885
+ ATOM 450 C CB . LYS A 1 59 ? 23.542 -7.185 24.315 0.31 5.93 ? 59 LYS A CB 1
886
+ ATOM 451 C CG . LYS A 1 59 ? 22.845 -6.948 25.608 0.31 6.80 ? 59 LYS A CG 1
887
+ ATOM 452 C CD . LYS A 1 59 ? 22.839 -5.439 25.904 0.31 9.93 ? 59 LYS A CD 1
888
+ ATOM 453 C CE . LYS A 1 59 ? 21.841 -5.232 26.963 0.31 9.84 ? 59 LYS A CE 1
889
+ ATOM 454 N NZ . LYS A 1 59 ? 21.978 -6.091 28.122 0.31 13.24 ? 59 LYS A NZ 1
890
+ ATOM 455 N N . ALA A 1 60 ? 21.712 -9.277 22.680 1.00 5.69 ? 60 ALA A N 1
891
+ ATOM 456 C CA . ALA A 1 60 ? 20.364 -9.795 22.577 1.00 5.67 ? 60 ALA A CA 1
892
+ ATOM 457 C C . ALA A 1 60 ? 19.917 -9.799 21.127 1.00 5.68 ? 60 ALA A C 1
893
+ ATOM 458 O O . ALA A 1 60 ? 20.479 -9.130 20.258 1.00 6.53 ? 60 ALA A O 1
894
+ ATOM 459 C CB . ALA A 1 60 ? 19.385 -8.913 23.392 1.00 6.74 ? 60 ALA A CB 1
895
+ ATOM 460 N N . ALA A 1 61 ? 18.802 -10.534 20.897 1.00 6.00 ? 61 ALA A N 1
896
+ ATOM 461 C CA . ALA A 1 61 ? 17.936 -10.265 19.754 1.00 6.22 ? 61 ALA A CA 1
897
+ ATOM 462 C C . ALA A 1 61 ? 16.856 -9.285 20.179 1.00 5.92 ? 61 ALA A C 1
898
+ ATOM 463 O O . ALA A 1 61 ? 16.388 -9.303 21.328 1.00 7.17 ? 61 ALA A O 1
899
+ ATOM 464 C CB . ALA A 1 61 ? 17.249 -11.538 19.290 1.00 8.19 ? 61 ALA A CB 1
900
+ ATOM 465 N N . SER A 1 62 ? 16.393 -8.472 19.228 1.00 5.80 ? 62 SER A N 1
901
+ ATOM 466 C CA . SER A 1 62 ? 15.221 -7.632 19.393 1.00 6.06 ? 62 SER A CA 1
902
+ ATOM 467 C C . SER A 1 62 ? 14.271 -7.921 18.233 1.00 5.93 ? 62 SER A C 1
903
+ ATOM 468 O O . SER A 1 62 ? 14.600 -7.659 17.075 1.00 6.49 ? 62 SER A O 1
904
+ ATOM 469 C CB . SER A 1 62 ? 15.607 -6.165 19.387 1.00 7.07 ? 62 SER A CB 1
905
+ ATOM 470 O OG . SER A 1 62 ? 14.435 -5.387 19.484 1.00 8.44 ? 62 SER A OG 1
906
+ ATOM 471 N N . GLU A 1 63 ? 13.098 -8.461 18.555 1.00 6.46 ? 63 GLU A N 1
907
+ ATOM 472 C CA . GLU A 1 63 ? 12.104 -8.754 17.546 0.72 7.08 ? 63 GLU A CA 1
908
+ ATOM 473 C C . GLU A 1 63 ? 11.436 -7.445 17.092 1.00 7.06 ? 63 GLU A C 1
909
+ ATOM 474 O O . GLU A 1 63 ? 11.136 -6.561 17.900 1.00 8.55 ? 63 GLU A O 1
910
+ ATOM 475 C CB . GLU A 1 63 ? 11.063 -9.718 18.106 0.72 8.43 ? 63 GLU A CB 1
911
+ ATOM 476 C CG . GLU A 1 63 ? 10.093 -10.281 17.100 0.72 8.95 ? 63 GLU A CG 1
912
+ ATOM 477 C CD . GLU A 1 63 ? 10.691 -11.189 16.047 0.72 9.77 ? 63 GLU A CD 1
913
+ ATOM 478 O OE1 . GLU A 1 63 ? 11.837 -11.722 16.198 0.72 9.89 ? 63 GLU A OE1 1
914
+ ATOM 479 O OE2 . GLU A 1 63 ? 9.974 -11.409 15.028 0.72 12.67 ? 63 GLU A OE2 1
915
+ ATOM 480 N N . LEU A 1 64 ? 11.210 -7.335 15.797 1.00 7.27 ? 64 LEU A N 1
916
+ ATOM 481 C CA . LEU A 1 64 ? 10.617 -6.161 15.152 1.00 7.71 ? 64 LEU A CA 1
917
+ ATOM 482 C C . LEU A 1 64 ? 9.136 -6.468 14.866 1.00 7.67 ? 64 LEU A C 1
918
+ ATOM 483 O O . LEU A 1 64 ? 8.829 -7.495 14.268 1.00 8.82 ? 64 LEU A O 1
919
+ ATOM 484 C CB . LEU A 1 64 ? 11.363 -5.845 13.862 1.00 8.16 ? 64 LEU A CB 1
920
+ ATOM 485 C CG . LEU A 1 64 ? 12.834 -5.504 14.027 1.00 8.55 ? 64 LEU A CG 1
921
+ ATOM 486 C CD1 . LEU A 1 64 ? 13.551 -5.473 12.705 1.00 9.59 ? 64 LEU A CD1 1
922
+ ATOM 487 C CD2 . LEU A 1 64 ? 13.014 -4.170 14.741 1.00 10.00 ? 64 LEU A CD2 1
923
+ ATOM 488 N N . TYR A 1 65 ? 8.271 -5.519 15.256 1.00 8.29 ? 65 TYR A N 1
924
+ ATOM 489 C CA . TYR A 1 65 ? 6.836 -5.661 15.103 1.00 9.42 ? 65 TYR A CA 1
925
+ ATOM 490 C C . TYR A 1 65 ? 6.309 -4.514 14.248 1.00 9.55 ? 65 TYR A C 1
926
+ ATOM 491 O O . TYR A 1 65 ? 6.694 -3.354 14.405 1.00 11.24 ? 65 TYR A O 1
927
+ ATOM 492 C CB . TYR A 1 65 ? 6.145 -5.608 16.462 1.00 11.59 ? 65 TYR A CB 1
928
+ ATOM 493 C CG . TYR A 1 65 ? 6.567 -6.787 17.333 1.00 11.58 ? 65 TYR A CG 1
929
+ ATOM 494 C CD1 . TYR A 1 65 ? 5.987 -8.036 17.236 1.00 14.40 ? 65 TYR A CD1 1
930
+ ATOM 495 C CD2 . TYR A 1 65 ? 7.604 -6.671 18.264 1.00 11.60 ? 65 TYR A CD2 1
931
+ ATOM 496 C CE1 . TYR A 1 65 ? 6.393 -9.120 18.064 1.00 15.89 ? 65 TYR A CE1 1
932
+ ATOM 497 C CE2 . TYR A 1 65 ? 7.974 -7.709 19.077 1.00 13.75 ? 65 TYR A CE2 1
933
+ ATOM 498 C CZ . TYR A 1 65 ? 7.387 -8.914 18.964 1.00 14.54 ? 65 TYR A CZ 1
934
+ ATOM 499 O OH . TYR A 1 65 ? 7.807 -9.964 19.781 1.00 19.22 ? 65 TYR A OH 1
935
+ ATOM 500 N N . SER A 1 66 ? 5.400 -4.801 13.328 1.00 8.78 ? 66 SER A N 1
936
+ ATOM 501 C CA . SER A 1 66 ? 5.019 -3.747 12.412 1.00 8.12 ? 66 SER A CA 1
937
+ ATOM 502 C C . SER A 1 66 ? 4.227 -2.662 13.107 1.00 8.21 ? 66 SER A C 1
938
+ ATOM 503 O O . SER A 1 66 ? 3.281 -2.959 13.831 1.00 9.56 ? 66 SER A O 1
939
+ ATOM 504 C CB . SER A 1 66 ? 4.162 -4.326 11.268 1.00 8.80 ? 66 SER A CB 1
940
+ ATOM 505 O OG . SER A 1 66 ? 4.052 -3.339 10.259 1.00 9.14 ? 66 SER A OG 1
941
+ ATOM 506 N N . PRO A 1 67 ? 4.555 -1.394 12.874 1.00 8.75 ? 67 PRO A N 1
942
+ ATOM 507 C CA . PRO A 1 67 ? 3.696 -0.355 13.475 0.65 9.38 ? 67 PRO A CA 1
943
+ ATOM 508 C C . PRO A 1 67 ? 2.397 -0.129 12.721 1.00 8.56 ? 67 PRO A C 1
944
+ ATOM 509 O O . PRO A 1 67 ? 1.546 0.602 13.225 1.00 10.03 ? 67 PRO A O 1
945
+ ATOM 510 C CB . PRO A 1 67 ? 4.561 0.885 13.315 0.65 10.63 ? 67 PRO A CB 1
946
+ ATOM 511 C CG . PRO A 1 67 ? 5.333 0.605 12.065 0.65 9.82 ? 67 PRO A CG 1
947
+ ATOM 512 C CD . PRO A 1 67 ? 5.606 -0.874 12.021 0.65 8.82 ? 67 PRO A CD 1
948
+ ATOM 513 N N . LEU A 1 68 ? 2.245 -0.696 11.532 1.00 8.60 ? 68 LEU A N 1
949
+ ATOM 514 C CA . LEU A 1 68 ? 1.147 -0.473 10.629 1.00 8.37 ? 68 LEU A CA 1
950
+ ATOM 515 C C . LEU A 1 68 ? 0.754 -1.741 9.873 1.00 8.31 ? 68 LEU A C 1
951
+ ATOM 516 O O . LEU A 1 68 ? 1.599 -2.624 9.613 1.00 9.02 ? 68 LEU A O 1
952
+ ATOM 517 C CB . LEU A 1 68 ? 1.529 0.607 9.582 1.00 9.22 ? 68 LEU A CB 1
953
+ ATOM 518 C CG . LEU A 1 68 ? 1.808 2.019 10.193 1.00 10.13 ? 68 LEU A CG 1
954
+ ATOM 519 C CD1 . LEU A 1 68 ? 2.470 2.909 9.134 1.00 13.21 ? 68 LEU A CD1 1
955
+ ATOM 520 C CD2 . LEU A 1 68 ? 0.534 2.642 10.766 1.00 12.30 ? 68 LEU A CD2 1
956
+ ATOM 521 N N . SER A 1 69 ? -0.494 -1.789 9.435 1.00 8.19 ? 69 SER A N 1
957
+ ATOM 522 C CA . SER A 1 69 ? -0.934 -2.770 8.476 1.00 8.52 ? 69 SER A CA 1
958
+ ATOM 523 C C . SER A 1 69 ? -0.567 -2.301 7.053 1.00 8.19 ? 69 SER A C 1
959
+ ATOM 524 O O . SER A 1 69 ? -0.723 -1.118 6.755 1.00 9.17 ? 69 SER A O 1
960
+ ATOM 525 C CB . SER A 1 69 ? -2.449 -2.977 8.567 1.00 8.96 ? 69 SER A CB 1
961
+ ATOM 526 O OG . SER A 1 69 ? -2.830 -3.335 9.899 1.00 9.57 ? 69 SER A OG 1
962
+ ATOM 527 N N . GLY A 1 70 ? -0.131 -3.222 6.177 1.00 8.18 ? 70 GLY A N 1
963
+ ATOM 528 C CA . GLY A 1 70 ? 0.165 -2.859 4.818 1.00 8.27 ? 70 GLY A CA 1
964
+ ATOM 529 C C . GLY A 1 70 ? 1.065 -3.862 4.115 1.00 7.53 ? 70 GLY A C 1
965
+ ATOM 530 O O . GLY A 1 70 ? 0.924 -5.087 4.332 1.00 7.99 ? 70 GLY A O 1
966
+ ATOM 531 N N . GLU A 1 71 ? 1.950 -3.370 3.253 1.00 7.44 ? 71 GLU A N 1
967
+ ATOM 532 C CA . GLU A 1 71 ? 2.735 -4.247 2.376 1.00 7.43 ? 71 GLU A CA 1
968
+ ATOM 533 C C . GLU A 1 71 ? 4.144 -3.674 2.261 1.00 7.17 ? 71 GLU A C 1
969
+ ATOM 534 O O . GLU A 1 71 ? 4.354 -2.514 1.936 1.00 7.80 ? 71 GLU A O 1
970
+ ATOM 535 C CB . GLU A 1 71 ? 2.106 -4.307 0.975 1.00 7.56 ? 71 GLU A CB 1
971
+ ATOM 536 C CG . GLU A 1 71 ? 2.825 -5.238 0.046 1.00 8.00 ? 71 GLU A CG 1
972
+ ATOM 537 C CD . GLU A 1 71 ? 2.224 -5.274 -1.360 1.00 7.95 ? 71 GLU A CD 1
973
+ ATOM 538 O OE1 . GLU A 1 71 ? 1.403 -4.503 -1.755 1.00 8.97 ? 71 GLU A OE1 1
974
+ ATOM 539 O OE2 . GLU A 1 71 ? 2.697 -6.260 -2.087 1.00 9.23 ? 71 GLU A OE2 1
975
+ ATOM 540 N N . VAL A 1 72 ? 5.168 -4.526 2.524 1.00 7.44 ? 72 VAL A N 1
976
+ ATOM 541 C CA . VAL A 1 72 ? 6.559 -4.094 2.409 1.00 7.14 ? 72 VAL A CA 1
977
+ ATOM 542 C C . VAL A 1 72 ? 6.901 -3.731 0.960 1.00 7.44 ? 72 VAL A C 1
978
+ ATOM 543 O O . VAL A 1 72 ? 6.635 -4.500 0.021 1.00 8.21 ? 72 VAL A O 1
979
+ ATOM 544 C CB . VAL A 1 72 ? 7.506 -5.191 2.908 1.00 7.64 ? 72 VAL A CB 1
980
+ ATOM 545 C CG1 . VAL A 1 72 ? 8.953 -4.760 2.764 1.00 8.38 ? 72 VAL A CG1 1
981
+ ATOM 546 C CG2 . VAL A 1 72 ? 7.197 -5.536 4.370 1.00 8.36 ? 72 VAL A CG2 1
982
+ ATOM 547 N N . THR A 1 73 ? 7.519 -2.562 0.764 1.00 7.69 ? 73 THR A N 1
983
+ ATOM 548 C CA . THR A 1 73 ? 7.948 -2.086 -0.546 1.00 8.75 ? 73 THR A CA 1
984
+ ATOM 549 C C . THR A 1 73 ? 9.462 -2.034 -0.718 1.00 9.11 ? 73 THR A C 1
985
+ ATOM 550 O O . THR A 1 73 ? 9.961 -2.085 -1.859 1.00 11.45 ? 73 THR A O 1
986
+ ATOM 551 C CB . THR A 1 73 ? 7.378 -0.688 -0.832 1.00 9.98 ? 73 THR A CB 1
987
+ ATOM 552 O OG1 . THR A 1 73 ? 7.777 0.166 0.248 1.00 12.01 ? 73 THR A OG1 1
988
+ ATOM 553 C CG2 . THR A 1 73 ? 5.862 -0.728 -0.936 1.00 11.68 ? 73 THR A CG2 1
989
+ ATOM 554 N N . GLU A 1 74 ? 10.229 -1.918 0.367 1.00 8.67 ? 74 GLU A N 1
990
+ ATOM 555 C CA . GLU A 1 74 ? 11.665 -1.786 0.266 0.73 9.24 ? 74 GLU A CA 1
991
+ ATOM 556 C C . GLU A 1 74 ? 12.264 -2.288 1.587 1.00 8.55 ? 74 GLU A C 1
992
+ ATOM 557 O O . GLU A 1 74 ? 11.654 -2.054 2.640 1.00 8.67 ? 74 GLU A O 1
993
+ ATOM 558 C CB . GLU A 1 74 ? 12.084 -0.341 -0.005 0.73 11.74 ? 74 GLU A CB 1
994
+ ATOM 559 C CG . GLU A 1 74 ? 13.444 -0.214 -0.617 0.73 12.91 ? 74 GLU A CG 1
995
+ ATOM 560 C CD . GLU A 1 74 ? 13.954 1.210 -0.719 0.61 16.38 ? 74 GLU A CD 1
996
+ ATOM 561 O OE1 . GLU A 1 74 ? 13.161 2.189 -0.661 0.61 18.65 ? 74 GLU A OE1 1
997
+ ATOM 562 O OE2 . GLU A 1 74 ? 15.173 1.415 -0.889 0.61 19.72 ? 74 GLU A OE2 1
998
+ ATOM 563 N N . ILE A 1 75 ? 13.449 -2.874 1.515 1.00 8.97 ? 75 ILE A N 1
999
+ ATOM 564 C CA . ILE A 1 75 ? 14.292 -3.108 2.694 0.61 8.90 ? 75 ILE A CA 1
1000
+ ATOM 565 C C . ILE A 1 75 ? 15.610 -2.413 2.484 1.00 8.79 ? 75 ILE A C 1
1001
+ ATOM 566 O O . ILE A 1 75 ? 16.054 -2.205 1.349 1.00 10.19 ? 75 ILE A O 1
1002
+ ATOM 567 C CB . ILE A 1 75 ? 14.292 -4.608 3.035 0.61 11.41 ? 75 ILE A CB 1
1003
+ ATOM 568 C CG1 . ILE A 1 75 ? 15.079 -5.421 2.023 0.61 14.39 ? 75 ILE A CG1 1
1004
+ ATOM 569 C CG2 . ILE A 1 75 ? 12.888 -5.135 3.213 0.61 12.04 ? 75 ILE A CG2 1
1005
+ ATOM 570 C CD1 . ILE A 1 75 ? 15.155 -6.893 2.318 0.61 17.87 ? 75 ILE A CD1 1
1006
+ ATOM 571 N N . ASN A 1 76 ? 16.285 -2.121 3.598 1.00 8.85 ? 76 ASN A N 1
1007
+ ATOM 572 C CA . ASN A 1 76 ? 17.545 -1.403 3.494 1.00 8.62 ? 76 ASN A CA 1
1008
+ ATOM 573 C C . ASN A 1 76 ? 18.693 -2.391 3.216 1.00 9.20 ? 76 ASN A C 1
1009
+ ATOM 574 O O . ASN A 1 76 ? 19.205 -3.062 4.109 1.00 9.18 ? 76 ASN A O 1
1010
+ ATOM 575 C CB . ASN A 1 76 ? 17.761 -0.599 4.790 1.00 8.46 ? 76 ASN A CB 1
1011
+ ATOM 576 C CG . ASN A 1 76 ? 19.003 0.270 4.672 1.00 8.49 ? 76 ASN A CG 1
1012
+ ATOM 577 O OD1 . ASN A 1 76 ? 19.798 0.166 3.738 1.00 10.28 ? 76 ASN A OD1 1
1013
+ ATOM 578 N ND2 . ASN A 1 76 ? 19.152 1.132 5.681 1.00 8.99 ? 76 ASN A ND2 1
1014
+ ATOM 579 N N . LYS A 1 77 ? 19.091 -2.473 1.931 1.00 10.33 ? 77 LYS A N 1
1015
+ ATOM 580 C CA . LYS A 1 77 ? 20.081 -3.393 1.472 1.00 10.67 ? 77 LYS A CA 1
1016
+ ATOM 581 C C . LYS A 1 77 ? 21.483 -3.088 2.056 1.00 10.69 ? 77 LYS A C 1
1017
+ ATOM 582 O O . LYS A 1 77 ? 22.341 -3.989 2.083 1.00 12.05 ? 77 LYS A O 1
1018
+ ATOM 583 C CB . LYS A 1 77 ? 20.155 -3.406 -0.059 1.00 14.38 ? 77 LYS A CB 1
1019
+ ATOM 584 C CG . LYS A 1 77 ? 18.891 -3.938 -0.709 1.00 19.35 ? 77 LYS A CG 1
1020
+ ATOM 585 C CD . LYS A 1 77 ? 19.089 -3.853 -2.250 1.00 23.82 ? 77 LYS A CD 1
1021
+ ATOM 586 C CE . LYS A 1 77 ? 17.914 -4.347 -3.011 0.44 20.93 ? 77 LYS A CE 1
1022
+ ATOM 587 N NZ . LYS A 1 77 ? 18.042 -4.072 -4.456 0.44 19.34 ? 77 LYS A NZ 1
1023
+ ATOM 588 N N . ALA A 1 78 ? 21.713 -1.846 2.529 1.00 9.97 ? 78 ALA A N 1
1024
+ ATOM 589 C CA . ALA A 1 78 ? 23.017 -1.484 3.077 1.00 10.19 ? 78 ALA A CA 1
1025
+ ATOM 590 C C . ALA A 1 78 ? 23.297 -2.230 4.384 1.00 8.98 ? 78 ALA A C 1
1026
+ ATOM 591 O O . ALA A 1 78 ? 24.453 -2.313 4.824 1.00 9.77 ? 78 ALA A O 1
1027
+ ATOM 592 C CB . ALA A 1 78 ? 23.100 0.008 3.307 1.00 11.09 ? 78 ALA A CB 1
1028
+ ATOM 593 N N . LEU A 1 79 ? 22.231 -2.732 5.052 1.00 8.37 ? 79 LEU A N 1
1029
+ ATOM 594 C CA . LEU A 1 79 ? 22.388 -3.349 6.362 1.00 8.31 ? 79 LEU A CA 1
1030
+ ATOM 595 C C . LEU A 1 79 ? 23.011 -4.745 6.314 1.00 8.33 ? 79 LEU A C 1
1031
+ ATOM 596 O O . LEU A 1 79 ? 23.433 -5.253 7.337 1.00 9.21 ? 79 LEU A O 1
1032
+ ATOM 597 C CB . LEU A 1 79 ? 21.045 -3.379 7.094 1.00 7.99 ? 79 LEU A CB 1
1033
+ ATOM 598 C CG . LEU A 1 79 ? 20.402 -2.015 7.320 1.00 8.00 ? 79 LEU A CG 1
1034
+ ATOM 599 C CD1 . LEU A 1 79 ? 19.080 -2.134 8.037 1.00 9.06 ? 79 LEU A CD1 1
1035
+ ATOM 600 C CD2 . LEU A 1 79 ? 21.346 -1.072 8.089 1.00 9.42 ? 79 LEU A CD2 1
1036
+ ATOM 601 N N . ALA A 1 80 ? 23.077 -5.348 5.106 1.00 9.55 ? 80 ALA A N 1
1037
+ ATOM 602 C CA . ALA A 1 80 ? 23.750 -6.677 5.005 1.00 10.09 ? 80 ALA A CA 1
1038
+ ATOM 603 C C . ALA A 1 80 ? 25.217 -6.586 5.344 1.00 10.13 ? 80 ALA A C 1
1039
+ ATOM 604 O O . ALA A 1 80 ? 25.735 -7.374 6.132 1.00 12.50 ? 80 ALA A O 1
1040
+ ATOM 605 C CB . ALA A 1 80 ? 23.528 -7.264 3.602 1.00 12.06 ? 80 ALA A CB 1
1041
+ ATOM 606 N N . GLU A 1 81 ? 25.904 -5.614 4.729 1.00 10.34 ? 81 GLU A N 1
1042
+ ATOM 607 C CA . GLU A 1 81 ? 27.327 -5.368 4.925 0.56 11.52 ? 81 GLU A CA 1
1043
+ ATOM 608 C C . GLU A 1 81 ? 27.643 -4.412 6.046 1.00 10.45 ? 81 GLU A C 1
1044
+ ATOM 609 O O . GLU A 1 81 ? 28.733 -4.408 6.588 1.00 12.85 ? 81 GLU A O 1
1045
+ ATOM 610 C CB . GLU A 1 81 ? 27.896 -4.881 3.578 0.56 14.92 ? 81 GLU A CB 1
1046
+ ATOM 611 C CG . GLU A 1 81 ? 28.111 -6.067 2.664 0.56 21.40 ? 81 GLU A CG 1
1047
+ ATOM 612 C CD . GLU A 1 81 ? 28.832 -5.824 1.345 0.56 27.49 ? 81 GLU A CD 1
1048
+ ATOM 613 O OE1 . GLU A 1 81 ? 29.183 -4.663 1.087 0.56 34.54 ? 81 GLU A OE1 1
1049
+ ATOM 614 O OE2 . GLU A 1 81 ? 29.027 -6.844 0.674 0.56 41.79 ? 81 GLU A OE2 1
1050
+ ATOM 615 N N . ASN A 1 82 ? 26.668 -3.536 6.360 1.00 9.46 ? 82 ASN A N 1
1051
+ ATOM 616 C CA . ASN A 1 82 ? 26.883 -2.461 7.336 0.76 9.44 ? 82 ASN A CA 1
1052
+ ATOM 617 C C . ASN A 1 82 ? 25.712 -2.430 8.352 1.00 8.50 ? 82 ASN A C 1
1053
+ ATOM 618 O O . ASN A 1 82 ? 24.995 -1.421 8.446 1.00 8.41 ? 82 ASN A O 1
1054
+ ATOM 619 C CB . ASN A 1 82 ? 27.062 -1.125 6.596 0.76 10.80 ? 82 ASN A CB 1
1055
+ ATOM 620 C CG . ASN A 1 82 ? 27.633 -0.025 7.455 0.76 12.01 ? 82 ASN A CG 1
1056
+ ATOM 621 O OD1 . ASN A 1 82 ? 27.935 -0.161 8.624 0.76 12.54 ? 82 ASN A OD1 1
1057
+ ATOM 622 N ND2 . ASN A 1 82 ? 27.806 1.138 6.848 0.76 14.59 ? 82 ASN A ND2 1
1058
+ ATOM 623 N N . PRO A 1 83 ? 25.505 -3.491 9.113 1.00 8.14 ? 83 PRO A N 1
1059
+ ATOM 624 C CA . PRO A 1 83 ? 24.407 -3.517 10.070 1.00 8.07 ? 83 PRO A CA 1
1060
+ ATOM 625 C C . PRO A 1 83 ? 24.511 -2.436 11.143 1.00 7.61 ? 83 PRO A C 1
1061
+ ATOM 626 O O . PRO A 1 83 ? 23.494 -2.005 11.720 1.00 7.95 ? 83 PRO A O 1
1062
+ ATOM 627 C CB . PRO A 1 83 ? 24.475 -4.922 10.679 1.00 8.34 ? 83 PRO A CB 1
1063
+ ATOM 628 C CG . PRO A 1 83 ? 25.912 -5.343 10.461 1.00 8.88 ? 83 PRO A CG 1
1064
+ ATOM 629 C CD . PRO A 1 83 ? 26.265 -4.766 9.114 1.00 9.17 ? 83 PRO A CD 1
1065
+ ATOM 630 N N . GLY A 1 84 ? 25.738 -1.996 11.427 1.00 8.30 ? 84 GLY A N 1
1066
+ ATOM 631 C CA . GLY A 1 84 ? 25.949 -0.968 12.421 1.00 8.68 ? 84 GLY A CA 1
1067
+ ATOM 632 C C . GLY A 1 84 ? 25.410 0.401 12.040 1.00 8.29 ? 84 GLY A C 1
1068
+ ATOM 633 O O . GLY A 1 84 ? 25.361 1.300 12.908 1.00 8.59 ? 84 GLY A O 1
1069
+ ATOM 634 N N . LEU A 1 85 ? 24.915 0.580 10.811 1.00 8.29 ? 85 LEU A N 1
1070
+ ATOM 635 C CA . LEU A 1 85 ? 24.195 1.800 10.470 1.00 8.55 ? 85 LEU A CA 1
1071
+ ATOM 636 C C . LEU A 1 85 ? 23.003 2.015 11.391 1.00 7.46 ? 85 LEU A C 1
1072
+ ATOM 637 O O . LEU A 1 85 ? 22.562 3.153 11.614 1.00 8.31 ? 85 LEU A O 1
1073
+ ATOM 638 C CB . LEU A 1 85 ? 23.719 1.769 9.015 1.00 9.71 ? 85 LEU A CB 1
1074
+ ATOM 639 C CG . LEU A 1 85 ? 24.775 1.962 7.968 1.00 11.45 ? 85 LEU A CG 1
1075
+ ATOM 640 C CD1 . LEU A 1 85 ? 24.200 1.562 6.597 1.00 13.99 ? 85 LEU A CD1 1
1076
+ ATOM 641 C CD2 . LEU A 1 85 ? 25.248 3.412 7.980 1.00 14.64 ? 85 LEU A CD2 1
1077
+ ATOM 642 N N . VAL A 1 86 ? 22.416 0.927 11.922 1.00 6.98 ? 86 VAL A N 1
1078
+ ATOM 643 C CA . VAL A 1 86 ? 21.307 1.074 12.841 1.00 6.84 ? 86 VAL A CA 1
1079
+ ATOM 644 C C . VAL A 1 86 ? 21.729 1.864 14.091 1.00 6.92 ? 86 VAL A C 1
1080
+ ATOM 645 O O . VAL A 1 86 ? 20.982 2.698 14.606 1.00 8.45 ? 86 VAL A O 1
1081
+ ATOM 646 C CB . VAL A 1 86 ? 20.743 -0.314 13.238 1.00 6.69 ? 86 VAL A CB 1
1082
+ ATOM 647 C CG1 . VAL A 1 86 ? 19.688 -0.195 14.311 1.00 7.95 ? 86 VAL A CG1 1
1083
+ ATOM 648 C CG2 . VAL A 1 86 ? 20.183 -1.004 11.995 1.00 7.58 ? 86 VAL A CG2 1
1084
+ ATOM 649 N N . ASN A 1 87 ? 22.947 1.599 14.596 1.00 6.43 ? 87 ASN A N 1
1085
+ ATOM 650 C CA . ASN A 1 87 ? 23.428 2.386 15.719 1.00 6.56 ? 87 ASN A CA 1
1086
+ ATOM 651 C C . ASN A 1 87 ? 23.916 3.793 15.327 1.00 7.16 ? 87 ASN A C 1
1087
+ ATOM 652 O O . ASN A 1 87 ? 23.733 4.727 16.081 1.00 8.50 ? 87 ASN A O 1
1088
+ ATOM 653 C CB . ASN A 1 87 ? 24.634 1.688 16.393 1.00 6.86 ? 87 ASN A CB 1
1089
+ ATOM 654 C CG . ASN A 1 87 ? 24.301 0.263 16.783 1.00 6.54 ? 87 ASN A CG 1
1090
+ ATOM 655 O OD1 . ASN A 1 87 ? 24.779 -0.662 16.094 1.00 7.52 ? 87 ASN A OD1 1
1091
+ ATOM 656 N ND2 . ASN A 1 87 ? 23.533 0.075 17.838 1.00 6.68 ? 87 ASN A ND2 1
1092
+ ATOM 657 N N . LYS A 1 88 ? 24.582 3.889 14.171 1.00 7.89 ? 88 LYS A N 1
1093
+ ATOM 658 C CA . LYS A 1 88 ? 25.215 5.108 13.677 0.29 8.20 ? 88 LYS A CA 1
1094
+ ATOM 659 C C . LYS A 1 88 ? 24.186 6.185 13.349 1.00 7.64 ? 88 LYS A C 1
1095
+ ATOM 660 O O . LYS A 1 88 ? 24.437 7.388 13.467 1.00 9.46 ? 88 LYS A O 1
1096
+ ATOM 661 C CB . LYS A 1 88 ? 26.120 4.846 12.461 0.29 9.10 ? 88 LYS A CB 1
1097
+ ATOM 662 C CG . LYS A 1 88 ? 26.973 5.983 11.932 0.29 12.45 ? 88 LYS A CG 1
1098
+ ATOM 663 C CD . LYS A 1 88 ? 28.109 5.587 11.005 0.29 13.33 ? 88 LYS A CD 1
1099
+ ATOM 664 C CE . LYS A 1 88 ? 29.016 6.743 10.633 0.29 21.42 ? 88 LYS A CE 1
1100
+ ATOM 665 N NZ . LYS A 1 88 ? 30.054 6.369 9.637 0.29 25.63 ? 88 LYS A NZ 1
1101
+ ATOM 666 N N . SER A 1 89 ? 23.060 5.731 12.763 1.00 7.09 ? 89 SER A N 1
1102
+ ATOM 667 C CA . SER A 1 89 ? 22.135 6.622 12.096 1.00 7.12 ? 89 SER A CA 1
1103
+ ATOM 668 C C . SER A 1 89 ? 20.715 6.051 12.187 1.00 6.55 ? 89 SER A C 1
1104
+ ATOM 669 O O . SER A 1 89 ? 20.073 5.768 11.172 1.00 7.07 ? 89 SER A O 1
1105
+ ATOM 670 C CB . SER A 1 89 ? 22.579 6.850 10.689 1.00 9.24 ? 89 SER A CB 1
1106
+ ATOM 671 O OG . SER A 1 89 ? 21.861 7.871 10.049 1.00 11.41 ? 89 SER A OG 1
1107
+ ATOM 672 N N . CYS A 1 90 ? 20.222 5.833 13.407 1.00 6.27 ? 90 CYS A N 1
1108
+ ATOM 673 C CA . CYS A 1 90 ? 18.983 5.069 13.586 1.00 6.02 ? 90 CYS A CA 1
1109
+ ATOM 674 C C . CYS A 1 90 ? 17.755 5.747 12.974 1.00 6.10 ? 90 CYS A C 1
1110
+ ATOM 675 O O . CYS A 1 90 ? 16.775 5.033 12.694 1.00 6.56 ? 90 CYS A O 1
1111
+ ATOM 676 C CB . CYS A 1 90 ? 18.721 4.754 15.067 1.00 6.41 ? 90 CYS A CB 1
1112
+ ATOM 677 S SG . CYS A 1 90 ? 18.400 6.203 16.111 1.00 6.75 ? 90 CYS A SG 1
1113
+ ATOM 678 N N . TYR A 1 91 ? 17.770 7.057 12.803 1.00 6.51 ? 91 TYR A N 1
1114
+ ATOM 679 C CA . TYR A 1 91 ? 16.648 7.782 12.232 1.00 6.96 ? 91 TYR A CA 1
1115
+ ATOM 680 C C . TYR A 1 91 ? 16.805 8.054 10.728 1.00 7.70 ? 91 TYR A C 1
1116
+ ATOM 681 O O . TYR A 1 91 ? 15.827 8.529 10.144 1.00 10.12 ? 91 TYR A O 1
1117
+ ATOM 682 C CB . TYR A 1 91 ? 16.414 9.111 12.955 1.00 7.36 ? 91 TYR A CB 1
1118
+ ATOM 683 C CG . TYR A 1 91 ? 16.063 8.935 14.413 1.00 6.61 ? 91 TYR A CG 1
1119
+ ATOM 684 C CD1 . TYR A 1 91 ? 14.861 8.291 14.793 1.00 6.39 ? 91 TYR A CD1 1
1120
+ ATOM 685 C CD2 . TYR A 1 91 ? 16.893 9.384 15.430 1.00 6.49 ? 91 TYR A CD2 1
1121
+ ATOM 686 C CE1 . TYR A 1 91 ? 14.533 8.118 16.121 1.00 6.06 ? 91 TYR A CE1 1
1122
+ ATOM 687 C CE2 . TYR A 1 91 ? 16.568 9.209 16.773 1.00 6.24 ? 91 TYR A CE2 1
1123
+ ATOM 688 C CZ . TYR A 1 91 ? 15.376 8.581 17.126 1.00 5.88 ? 91 TYR A CZ 1
1124
+ ATOM 689 O OH . TYR A 1 91 ? 15.012 8.350 18.423 1.00 6.25 ? 91 TYR A OH 1
1125
+ ATOM 690 N N . GLU A 1 92 ? 17.976 7.806 10.152 1.00 8.00 ? 92 GLU A N 1
1126
+ ATOM 691 C CA . GLU A 1 92 ? 18.275 8.199 8.781 0.69 9.60 ? 92 GLU A CA 1
1127
+ ATOM 692 C C . GLU A 1 92 ? 18.842 6.999 7.994 1.00 9.44 ? 92 GLU A C 1
1128
+ ATOM 693 O O . GLU A 1 92 ? 18.065 6.198 7.444 1.00 11.42 ? 92 GLU A O 1
1129
+ ATOM 694 C CB . GLU A 1 92 ? 19.115 9.430 8.768 0.69 11.00 ? 92 GLU A CB 1
1130
+ ATOM 695 C CG . GLU A 1 92 ? 18.541 10.672 9.409 0.69 16.38 ? 92 GLU A CG 1
1131
+ ATOM 696 C CD . GLU A 1 92 ? 17.210 11.184 8.925 0.69 22.39 ? 92 GLU A CD 1
1132
+ ATOM 697 O OE1 . GLU A 1 92 ? 16.875 10.951 7.717 0.69 29.63 ? 92 GLU A OE1 1
1133
+ ATOM 698 O OE2 . GLU A 1 92 ? 16.539 11.868 9.782 0.69 34.27 ? 92 GLU A OE2 1
1134
+ ATOM 699 N N . ASP A 1 93 ? 20.138 6.790 7.937 1.00 9.02 ? 93 ASP A N 1
1135
+ ATOM 700 C CA . ASP A 1 93 ? 20.737 5.795 7.107 1.00 10.06 ? 93 ASP A CA 1
1136
+ ATOM 701 C C . ASP A 1 93 ? 20.513 4.375 7.581 1.00 9.23 ? 93 ASP A C 1
1137
+ ATOM 702 O O . ASP A 1 93 ? 20.713 3.413 6.797 1.00 10.50 ? 93 ASP A O 1
1138
+ ATOM 703 C CB . ASP A 1 93 ? 22.225 6.034 6.911 1.00 11.88 ? 93 ASP A CB 1
1139
+ ATOM 704 C CG . ASP A 1 93 ? 22.580 7.368 6.244 1.00 19.33 ? 93 ASP A CG 1
1140
+ ATOM 705 O OD1 . ASP A 1 93 ? 21.722 7.835 5.463 1.00 22.01 ? 93 ASP A OD1 1
1141
+ ATOM 706 O OD2 . ASP A 1 93 ? 23.691 7.860 6.433 1.00 24.83 ? 93 ASP A OD2 1
1142
+ ATOM 707 N N . GLY A 1 94 ? 20.121 4.205 8.832 1.00 8.08 ? 94 GLY A N 1
1143
+ ATOM 708 C CA . GLY A 1 94 ? 19.834 2.918 9.419 1.00 7.81 ? 94 GLY A CA 1
1144
+ ATOM 709 C C . GLY A 1 94 ? 18.335 2.552 9.496 1.00 6.98 ? 94 GLY A C 1
1145
+ ATOM 710 O O . GLY A 1 94 ? 17.961 1.681 10.275 1.00 7.25 ? 94 GLY A O 1
1146
+ ATOM 711 N N . TRP A 1 95 ? 17.518 3.178 8.643 1.00 7.30 ? 95 TRP A N 1
1147
+ ATOM 712 C CA . TRP A 1 95 ? 16.149 2.740 8.463 1.00 7.24 ? 95 TRP A CA 1
1148
+ ATOM 713 C C . TRP A 1 95 ? 16.117 1.246 8.089 1.00 6.83 ? 95 TRP A C 1
1149
+ ATOM 714 O O . TRP A 1 95 ? 17.072 0.717 7.521 1.00 7.64 ? 95 TRP A O 1
1150
+ ATOM 715 C CB . TRP A 1 95 ? 15.451 3.594 7.375 1.00 8.44 ? 95 TRP A CB 1
1151
+ ATOM 716 C CG . TRP A 1 95 ? 15.997 3.413 5.977 1.00 8.71 ? 95 TRP A CG 1
1152
+ ATOM 717 C CD1 . TRP A 1 95 ? 17.039 4.074 5.422 1.00 9.82 ? 95 TRP A CD1 1
1153
+ ATOM 718 C CD2 . TRP A 1 95 ? 15.512 2.515 4.978 1.00 8.44 ? 95 TRP A CD2 1
1154
+ ATOM 719 N NE1 . TRP A 1 95 ? 17.258 3.659 4.121 1.00 10.77 ? 95 TRP A NE1 1
1155
+ ATOM 720 C CE2 . TRP A 1 95 ? 16.338 2.693 3.833 1.00 9.42 ? 95 TRP A CE2 1
1156
+ ATOM 721 C CE3 . TRP A 1 95 ? 14.470 1.592 4.915 1.00 8.07 ? 95 TRP A CE3 1
1157
+ ATOM 722 C CZ2 . TRP A 1 95 ? 16.151 1.970 2.669 1.00 9.95 ? 95 TRP A CZ2 1
1158
+ ATOM 723 C CZ3 . TRP A 1 95 ? 14.309 0.871 3.760 1.00 8.92 ? 95 TRP A CZ3 1
1159
+ ATOM 724 C CH2 . TRP A 1 95 ? 15.143 1.068 2.641 1.00 9.99 ? 95 TRP A CH2 1
1160
+ ATOM 725 N N . LEU A 1 96 ? 14.994 0.606 8.411 1.00 6.54 ? 96 LEU A N 1
1161
+ ATOM 726 C CA . LEU A 1 96 ? 14.894 -0.849 8.220 1.00 6.53 ? 96 LEU A CA 1
1162
+ ATOM 727 C C . LEU A 1 96 ? 14.062 -1.269 6.996 1.00 6.72 ? 96 LEU A C 1
1163
+ ATOM 728 O O . LEU A 1 96 ? 14.544 -1.992 6.130 1.00 7.52 ? 96 LEU A O 1
1164
+ ATOM 729 C CB . LEU A 1 96 ? 14.323 -1.502 9.491 1.00 6.52 ? 96 LEU A CB 1
1165
+ ATOM 730 C CG . LEU A 1 96 ? 15.125 -1.224 10.773 1.00 6.28 ? 96 LEU A CG 1
1166
+ ATOM 731 C CD1 . LEU A 1 96 ? 14.427 -1.841 11.961 1.00 7.72 ? 96 LEU A CD1 1
1167
+ ATOM 732 C CD2 . LEU A 1 96 ? 16.563 -1.720 10.666 1.00 7.42 ? 96 LEU A CD2 1
1168
+ ATOM 733 N N . ILE A 1 97 ? 12.801 -0.814 6.972 1.00 7.04 ? 97 ILE A N 1
1169
+ ATOM 734 C CA . ILE A 1 97 ? 11.892 -1.157 5.882 1.00 6.87 ? 97 ILE A CA 1
1170
+ ATOM 735 C C . ILE A 1 97 ? 11.074 0.065 5.504 1.00 6.64 ? 97 ILE A C 1
1171
+ ATOM 736 O O . ILE A 1 97 ? 10.948 1.045 6.264 1.00 7.09 ? 97 ILE A O 1
1172
+ ATOM 737 C CB . ILE A 1 97 ? 10.907 -2.315 6.258 1.00 7.15 ? 97 ILE A CB 1
1173
+ ATOM 738 C CG1 . ILE A 1 97 ? 9.860 -1.953 7.298 1.00 7.54 ? 97 ILE A CG1 1
1174
+ ATOM 739 C CG2 . ILE A 1 97 ? 11.689 -3.553 6.682 1.00 8.74 ? 97 ILE A CG2 1
1175
+ ATOM 740 C CD1 . ILE A 1 97 ? 8.718 -2.944 7.443 1.00 8.65 ? 97 ILE A CD1 1
1176
+ ATOM 741 N N . LYS A 1 98 ? 10.485 -0.018 4.297 1.00 6.89 ? 98 LYS A N 1
1177
+ ATOM 742 C CA . LYS A 1 98 ? 9.415 0.892 3.898 0.65 7.62 ? 98 LYS A CA 1
1178
+ ATOM 743 C C . LYS A 1 98 ? 8.241 0.008 3.487 1.00 6.92 ? 98 LYS A C 1
1179
+ ATOM 744 O O . LYS A 1 98 ? 8.402 -1.131 3.032 1.00 7.44 ? 98 LYS A O 1
1180
+ ATOM 745 C CB . LYS A 1 98 ? 9.761 1.864 2.775 0.65 8.03 ? 98 LYS A CB 1
1181
+ ATOM 746 C CG . LYS A 1 98 ? 10.995 2.705 3.110 0.65 9.43 ? 98 LYS A CG 1
1182
+ ATOM 747 C CD . LYS A 1 98 ? 11.410 3.566 1.928 0.65 9.92 ? 98 LYS A CD 1
1183
+ ATOM 748 C CE . LYS A 1 98 ? 12.727 4.268 2.240 0.65 10.83 ? 98 LYS A CE 1
1184
+ ATOM 749 N NZ . LYS A 1 98 ? 13.248 4.969 0.998 0.65 21.93 ? 98 LYS A NZ 1
1185
+ ATOM 750 N N . MET A 1 99 ? 7.030 0.558 3.650 1.00 7.26 ? 99 MET A N 1
1186
+ ATOM 751 C CA . MET A 1 99 ? 5.806 -0.185 3.380 1.00 7.26 ? 99 MET A CA 1
1187
+ ATOM 752 C C . MET A 1 99 ? 4.685 0.787 3.013 1.00 7.82 ? 99 MET A C 1
1188
+ ATOM 753 O O . MET A 1 99 ? 4.579 1.854 3.578 1.00 9.22 ? 99 MET A O 1
1189
+ ATOM 754 C CB . MET A 1 99 ? 5.366 -1.026 4.591 1.00 7.45 ? 99 MET A CB 1
1190
+ ATOM 755 C CG . MET A 1 99 ? 5.063 -0.244 5.868 1.00 8.36 ? 99 MET A CG 1
1191
+ ATOM 756 S SD . MET A 1 99 ? 4.733 -1.292 7.314 1.00 8.87 ? 99 MET A SD 1
1192
+ ATOM 757 C CE . MET A 1 99 ? 3.222 -2.092 6.778 1.00 9.42 ? 99 MET A CE 1
1193
+ ATOM 758 N N . THR A 1 100 ? 3.812 0.364 2.094 1.00 7.65 ? 100 THR A N 1
1194
+ ATOM 759 C CA . THR A 1 100 ? 2.536 1.056 2.029 1.00 7.85 ? 100 THR A CA 1
1195
+ ATOM 760 C C . THR A 1 100 ? 1.740 0.712 3.272 1.00 8.08 ? 100 THR A C 1
1196
+ ATOM 761 O O . THR A 1 100 ? 1.881 -0.378 3.838 1.00 8.49 ? 100 THR A O 1
1197
+ ATOM 762 C CB . THR A 1 100 ? 1.764 0.654 0.759 1.00 8.34 ? 100 THR A CB 1
1198
+ ATOM 763 O OG1 . THR A 1 100 ? 1.613 -0.762 0.760 1.00 7.42 ? 100 THR A OG1 1
1199
+ ATOM 764 C CG2 . THR A 1 100 ? 2.492 1.105 -0.508 1.00 11.66 ? 100 THR A CG2 1
1200
+ ATOM 765 N N . PHE A 1 101 ? 0.875 1.639 3.684 1.00 9.09 ? 101 PHE A N 1
1201
+ ATOM 766 C CA . PHE A 1 101 ? 0.030 1.395 4.849 1.00 9.96 ? 101 PHE A CA 1
1202
+ ATOM 767 C C . PHE A 1 101 ? -1.415 1.532 4.428 1.00 9.78 ? 101 PHE A C 1
1203
+ ATOM 768 O O . PHE A 1 101 ? -1.801 2.466 3.720 1.00 15.68 ? 101 PHE A O 1
1204
+ ATOM 769 C CB . PHE A 1 101 ? 0.392 2.231 6.077 1.00 10.12 ? 101 PHE A CB 1
1205
+ ATOM 770 C CG . PHE A 1 101 ? 0.338 3.721 5.904 1.00 8.85 ? 101 PHE A CG 1
1206
+ ATOM 771 C CD1 . PHE A 1 101 ? -0.807 4.433 6.166 1.00 9.66 ? 101 PHE A CD1 1
1207
+ ATOM 772 C CD2 . PHE A 1 101 ? 1.484 4.434 5.531 1.00 8.86 ? 101 PHE A CD2 1
1208
+ ATOM 773 C CE1 . PHE A 1 101 ? -0.810 5.816 6.049 1.00 10.37 ? 101 PHE A CE1 1
1209
+ ATOM 774 C CE2 . PHE A 1 101 ? 1.480 5.792 5.404 1.00 9.71 ? 101 PHE A CE2 1
1210
+ ATOM 775 C CZ . PHE A 1 101 ? 0.315 6.493 5.696 1.00 9.69 ? 101 PHE A CZ 1
1211
+ ATOM 776 N N . SER A 1 102 ? -2.225 0.534 4.822 1.00 8.76 ? 102 SER A N 1
1212
+ ATOM 777 C CA . SER A 1 102 ? -3.590 0.414 4.349 0.90 9.18 ? 102 SER A CA 1
1213
+ ATOM 778 C C . SER A 1 102 ? -4.634 1.041 5.223 1.00 8.54 ? 102 SER A C 1
1214
+ ATOM 779 O O . SER A 1 102 ? -5.789 1.211 4.766 1.00 9.71 ? 102 SER A O 1
1215
+ ATOM 780 C CB . SER A 1 102 ? -3.870 -1.086 4.154 0.90 10.06 ? 102 SER A CB 1
1216
+ ATOM 781 O OG . SER A 1 102 ? -3.660 -1.764 5.398 0.90 10.37 ? 102 SER A OG 1
1217
+ ATOM 782 N N . ASN A 1 103 ? -4.345 1.396 6.471 1.00 8.41 ? 103 ASN A N 1
1218
+ ATOM 783 C CA . ASN A 1 103 ? -5.332 1.876 7.446 1.00 8.63 ? 103 ASN A CA 1
1219
+ ATOM 784 C C . ASN A 1 103 ? -4.766 3.077 8.166 1.00 8.52 ? 103 ASN A C 1
1220
+ ATOM 785 O O . ASN A 1 103 ? -4.145 2.984 9.221 1.00 9.07 ? 103 ASN A O 1
1221
+ ATOM 786 C CB . ASN A 1 103 ? -5.710 0.789 8.429 1.00 8.46 ? 103 ASN A CB 1
1222
+ ATOM 787 C CG . ASN A 1 103 ? -6.739 1.227 9.437 1.00 9.41 ? 103 ASN A CG 1
1223
+ ATOM 788 O OD1 . ASN A 1 103 ? -7.156 2.402 9.449 1.00 11.13 ? 103 ASN A OD1 1
1224
+ ATOM 789 N ND2 . ASN A 1 103 ? -7.122 0.320 10.310 1.00 11.15 ? 103 ASN A ND2 1
1225
+ ATOM 790 N N . PRO A 1 104 ? -4.960 4.288 7.570 1.00 10.33 ? 104 PRO A N 1
1226
+ ATOM 791 C CA . PRO A 1 104 ? -4.354 5.494 8.165 1.00 11.61 ? 104 PRO A CA 1
1227
+ ATOM 792 C C . PRO A 1 104 ? -4.810 5.774 9.610 1.00 10.45 ? 104 PRO A C 1
1228
+ ATOM 793 O O . PRO A 1 104 ? -4.049 6.435 10.355 1.00 13.05 ? 104 PRO A O 1
1229
+ ATOM 794 C CB . PRO A 1 104 ? -4.778 6.639 7.227 1.00 15.13 ? 104 PRO A CB 1
1230
+ ATOM 795 C CG . PRO A 1 104 ? -4.877 5.905 5.927 1.00 14.58 ? 104 PRO A CG 1
1231
+ ATOM 796 C CD . PRO A 1 104 ? -5.491 4.572 6.256 1.00 12.14 ? 104 PRO A CD 1
1232
+ ATOM 797 N N . SER A 1 105 ? -5.986 5.296 10.032 1.00 9.33 ? 105 SER A N 1
1233
+ ATOM 798 C CA . SER A 1 105 ? -6.412 5.535 11.425 1.00 9.53 ? 105 SER A CA 1
1234
+ ATOM 799 C C . SER A 1 105 ? -5.363 4.960 12.417 1.00 8.31 ? 105 SER A C 1
1235
+ ATOM 800 O O . SER A 1 105 ? -5.291 5.427 13.551 1.00 9.08 ? 105 SER A O 1
1236
+ ATOM 801 C CB . SER A 1 105 ? -7.792 4.980 11.720 1.00 9.48 ? 105 SER A CB 1
1237
+ ATOM 802 O OG . SER A 1 105 ? -7.802 3.588 11.763 1.00 9.47 ? 105 SER A OG 1
1238
+ ATOM 803 N N . GLU A 1 106 ? -4.617 3.939 11.987 1.00 8.47 ? 106 GLU A N 1
1239
+ ATOM 804 C CA . GLU A 1 106 ? -3.643 3.336 12.880 1.00 8.85 ? 106 GLU A CA 1
1240
+ ATOM 805 C C . GLU A 1 106 ? -2.579 4.304 13.368 1.00 10.02 ? 106 GLU A C 1
1241
+ ATOM 806 O O . GLU A 1 106 ? -2.018 4.162 14.455 1.00 11.14 ? 106 GLU A O 1
1242
+ ATOM 807 C CB . GLU A 1 106 ? -2.959 2.144 12.194 1.00 8.42 ? 106 GLU A CB 1
1243
+ ATOM 808 C CG . GLU A 1 106 ? -3.872 0.945 12.056 1.00 8.27 ? 106 GLU A CG 1
1244
+ ATOM 809 C CD . GLU A 1 106 ? -3.247 -0.177 11.253 1.00 8.05 ? 106 GLU A CD 1
1245
+ ATOM 810 O OE1 . GLU A 1 106 ? -2.199 0.056 10.598 1.00 8.07 ? 106 GLU A OE1 1
1246
+ ATOM 811 O OE2 . GLU A 1 106 ? -3.829 -1.299 11.258 1.00 9.51 ? 106 GLU A OE2 1
1247
+ ATOM 812 N N . LEU A 1 107 ? -2.193 5.263 12.630 0.63 10.09 ? 107 LEU A N 1
1248
+ ATOM 813 C CA . LEU A 1 107 ? -1.196 6.212 13.147 0.63 7.15 ? 107 LEU A CA 1
1249
+ ATOM 814 C C . LEU A 1 107 ? -1.667 6.946 14.395 0.63 7.53 ? 107 LEU A C 1
1250
+ ATOM 815 O O . LEU A 1 107 ? -0.837 7.367 15.203 0.63 8.11 ? 107 LEU A O 1
1251
+ ATOM 816 C CB . LEU A 1 107 ? -0.910 7.209 12.018 0.63 8.06 ? 107 LEU A CB 1
1252
+ ATOM 817 C CG . LEU A 1 107 ? -0.175 6.630 10.797 0.63 9.00 ? 107 LEU A CG 1
1253
+ ATOM 818 C CD1 . LEU A 1 107 ? -0.264 7.529 9.578 0.63 12.08 ? 107 LEU A CD1 1
1254
+ ATOM 819 C CD2 . LEU A 1 107 ? 1.295 6.357 11.089 0.63 9.47 ? 107 LEU A CD2 1
1255
+ ATOM 820 N N . ASP A 1 108 ? -3.033 7.190 14.445 1.00 10.22 ? 108 ASP A N 1
1256
+ ATOM 821 C CA . ASP A 1 108 ? -3.543 7.903 15.605 1.00 9.67 ? 108 ASP A CA 1
1257
+ ATOM 822 C C . ASP A 1 108 ? -3.291 7.136 16.874 1.00 9.55 ? 108 ASP A C 1
1258
+ ATOM 823 O O . ASP A 1 108 ? -3.381 7.682 17.967 1.00 11.00 ? 108 ASP A O 1
1259
+ ATOM 824 C CB . ASP A 1 108 ? -5.033 8.224 15.469 1.00 10.28 ? 108 ASP A CB 1
1260
+ ATOM 825 C CG . ASP A 1 108 ? -5.288 9.175 14.318 1.00 11.69 ? 108 ASP A CG 1
1261
+ ATOM 826 O OD1 . ASP A 1 108 ? -4.632 10.188 14.180 1.00 15.63 ? 108 ASP A OD1 1
1262
+ ATOM 827 O OD2 . ASP A 1 108 ? -6.267 8.861 13.551 1.00 12.89 ? 108 ASP A OD2 1
1263
+ ATOM 828 N N . GLU A 1 109 ? -2.972 5.825 16.903 0.65 9.22 ? 109 GLU A N 1
1264
+ ATOM 829 C CA . GLU A 1 109 ? -2.741 4.983 18.043 0.65 9.47 ? 109 GLU A CA 1
1265
+ ATOM 830 C C . GLU A 1 109 ? -1.308 5.092 18.597 0.65 9.88 ? 109 GLU A C 1
1266
+ ATOM 831 O O . GLU A 1 109 ? -0.988 4.589 19.648 0.65 14.39 ? 109 GLU A O 1
1267
+ ATOM 832 C CB . GLU A 1 109 ? -2.884 3.485 17.672 0.65 8.94 ? 109 GLU A CB 1
1268
+ ATOM 833 C CG . GLU A 1 109 ? -4.241 3.135 17.037 0.65 7.88 ? 109 GLU A CG 1
1269
+ ATOM 834 C CD . GLU A 1 109 ? -4.366 1.671 16.652 0.65 8.66 ? 109 GLU A CD 1
1270
+ ATOM 835 O OE1 . GLU A 1 109 ? -3.646 0.841 17.261 0.65 10.06 ? 109 GLU A OE1 1
1271
+ ATOM 836 O OE2 . GLU A 1 109 ? -5.223 1.386 15.793 0.65 9.88 ? 109 GLU A OE2 1
1272
+ ATOM 837 N N . LEU A 1 110 ? -0.392 5.630 17.796 0.69 8.89 ? 110 LEU A N 1
1273
+ ATOM 838 C CA . LEU A 1 110 ? 1.026 5.665 18.106 0.69 8.26 ? 110 LEU A CA 1
1274
+ ATOM 839 C C . LEU A 1 110 ? 1.306 6.928 18.903 0.69 8.57 ? 110 LEU A C 1
1275
+ ATOM 840 O O . LEU A 1 110 ? 0.565 7.843 19.026 0.69 10.50 ? 110 LEU A O 1
1276
+ ATOM 841 C CB . LEU A 1 110 ? 1.811 5.608 16.808 0.69 8.60 ? 110 LEU A CB 1
1277
+ ATOM 842 C CG . LEU A 1 110 ? 1.545 4.365 15.921 0.69 10.12 ? 110 LEU A CG 1
1278
+ ATOM 843 C CD1 . LEU A 1 110 ? 2.452 4.390 14.686 0.69 11.90 ? 110 LEU A CD1 1
1279
+ ATOM 844 C CD2 . LEU A 1 110 ? 1.721 3.067 16.704 0.69 12.71 ? 110 LEU A CD2 1
1280
+ ATOM 845 N N . MET A 1 111 ? 2.562 6.887 19.292 1.00 9.84 ? 111 MET A N 1
1281
+ ATOM 846 C CA . MET A 1 111 ? 2.956 7.992 20.158 0.34 8.84 ? 111 MET A CA 1
1282
+ ATOM 847 C C . MET A 1 111 ? 3.584 9.121 19.381 1.00 7.63 ? 111 MET A C 1
1283
+ ATOM 848 O O . MET A 1 111 ? 4.426 8.944 18.510 1.00 8.11 ? 111 MET A O 1
1284
+ ATOM 849 C CB . MET A 1 111 ? 3.937 7.341 21.138 0.34 8.91 ? 111 MET A CB 1
1285
+ ATOM 850 C CG . MET A 1 111 ? 3.290 6.036 21.692 0.34 7.29 ? 111 MET A CG 1
1286
+ ATOM 851 S SD . MET A 1 111 ? 4.497 5.123 22.653 0.34 7.20 ? 111 MET A SD 1
1287
+ ATOM 852 C CE . MET A 1 111 ? 5.403 6.405 23.343 0.34 8.13 ? 111 MET A CE 1
1288
+ ATOM 853 N N . SER A 1 112 ? 3.158 10.345 19.730 1.00 8.41 ? 112 SER A N 1
1289
+ ATOM 854 C CA . SER A 1 112 ? 3.824 11.506 19.219 1.00 8.97 ? 112 SER A CA 1
1290
+ ATOM 855 C C . SER A 1 112 ? 5.272 11.577 19.773 1.00 8.07 ? 112 SER A C 1
1291
+ ATOM 856 O O . SER A 1 112 ? 5.619 10.925 20.760 1.00 8.34 ? 112 SER A O 1
1292
+ ATOM 857 C CB . SER A 1 112 ? 3.105 12.777 19.602 1.00 10.09 ? 112 SER A CB 1
1293
+ ATOM 858 O OG . SER A 1 112 ? 3.165 12.950 20.993 1.00 11.03 ? 112 SER A OG 1
1294
+ ATOM 859 N N . GLU A 1 113 ? 6.097 12.406 19.152 1.00 8.84 ? 113 GLU A N 1
1295
+ ATOM 860 C CA . GLU A 1 113 ? 7.423 12.522 19.760 0.52 8.36 ? 113 GLU A CA 1
1296
+ ATOM 861 C C . GLU A 1 113 ? 7.330 13.137 21.127 1.00 8.50 ? 113 GLU A C 1
1297
+ ATOM 862 O O . GLU A 1 113 ? 8.155 12.744 21.964 1.00 9.12 ? 113 GLU A O 1
1298
+ ATOM 863 C CB . GLU A 1 113 ? 8.254 13.342 18.744 0.52 8.96 ? 113 GLU A CB 1
1299
+ ATOM 864 C CG . GLU A 1 113 ? 9.720 13.393 19.058 0.52 10.50 ? 113 GLU A CG 1
1300
+ ATOM 865 C CD . GLU A 1 113 ? 10.095 14.380 20.111 0.52 11.75 ? 113 GLU A CD 1
1301
+ ATOM 866 O OE1 . GLU A 1 113 ? 9.345 15.323 20.406 0.52 12.42 ? 113 GLU A OE1 1
1302
+ ATOM 867 O OE2 . GLU A 1 113 ? 11.120 14.030 20.715 0.52 11.75 ? 113 GLU A OE2 1
1303
+ ATOM 868 N N . GLU A 1 114 ? 6.387 14.030 21.448 1.00 9.13 ? 114 GLU A N 1
1304
+ ATOM 869 C CA . GLU A 1 114 ? 6.239 14.545 22.790 1.00 9.83 ? 114 GLU A CA 1
1305
+ ATOM 870 C C . GLU A 1 114 ? 5.899 13.434 23.780 1.00 8.53 ? 114 GLU A C 1
1306
+ ATOM 871 O O . GLU A 1 114 ? 6.458 13.361 24.896 1.00 8.92 ? 114 GLU A O 1
1307
+ ATOM 872 C CB . GLU A 1 114 ? 5.187 15.660 22.855 1.00 12.79 ? 114 GLU A CB 1
1308
+ ATOM 873 C CG . GLU A 1 114 ? 4.799 16.056 24.303 1.00 19.33 ? 114 GLU A CG 1
1309
+ ATOM 874 C CD . GLU A 1 114 ? 3.716 17.130 24.422 0.48 17.92 ? 114 GLU A CD 1
1310
+ ATOM 875 O OE1 . GLU A 1 114 ? 3.093 17.518 23.423 0.48 24.36 ? 114 GLU A OE1 1
1311
+ ATOM 876 O OE2 . GLU A 1 114 ? 3.583 17.582 25.576 0.48 26.74 ? 114 GLU A OE2 1
1312
+ ATOM 877 N N . ALA A 1 115 ? 4.968 12.545 23.453 1.00 8.19 ? 115 ALA A N 1
1313
+ ATOM 878 C CA . ALA A 1 115 ? 4.606 11.450 24.305 1.00 7.93 ? 115 ALA A CA 1
1314
+ ATOM 879 C C . ALA A 1 115 ? 5.787 10.514 24.480 1.00 7.00 ? 115 ALA A C 1
1315
+ ATOM 880 O O . ALA A 1 115 ? 5.987 9.989 25.590 1.00 7.58 ? 115 ALA A O 1
1316
+ ATOM 881 C CB . ALA A 1 115 ? 3.401 10.676 23.749 1.00 8.82 ? 115 ALA A CB 1
1317
+ ATOM 882 N N . TYR A 1 116 ? 6.559 10.263 23.419 1.00 6.67 ? 116 TYR A N 1
1318
+ ATOM 883 C CA . TYR A 1 116 ? 7.707 9.380 23.501 1.00 6.15 ? 116 TYR A CA 1
1319
+ ATOM 884 C C . TYR A 1 116 ? 8.801 9.989 24.391 1.00 6.07 ? 116 TYR A C 1
1320
+ ATOM 885 O O . TYR A 1 116 ? 9.438 9.261 25.158 1.00 6.28 ? 116 TYR A O 1
1321
+ ATOM 886 C CB . TYR A 1 116 ? 8.231 9.050 22.081 1.00 6.26 ? 116 TYR A CB 1
1322
+ ATOM 887 C CG . TYR A 1 116 ? 9.269 7.959 22.109 1.00 5.72 ? 116 TYR A CG 1
1323
+ ATOM 888 C CD1 . TYR A 1 116 ? 8.921 6.651 22.348 1.00 5.95 ? 116 TYR A CD1 1
1324
+ ATOM 889 C CD2 . TYR A 1 116 ? 10.636 8.262 21.935 1.00 5.89 ? 116 TYR A CD2 1
1325
+ ATOM 890 C CE1 . TYR A 1 116 ? 9.867 5.635 22.396 1.00 5.78 ? 116 TYR A CE1 1
1326
+ ATOM 891 C CE2 . TYR A 1 116 ? 11.593 7.264 22.008 1.00 5.98 ? 116 TYR A CE2 1
1327
+ ATOM 892 C CZ . TYR A 1 116 ? 11.223 5.967 22.251 1.00 5.67 ? 116 TYR A CZ 1
1328
+ ATOM 893 O OH . TYR A 1 116 ? 12.200 5.007 22.319 1.00 6.21 ? 116 TYR A OH 1
1329
+ ATOM 894 N N . GLU A 1 117 ? 9.005 11.294 24.298 1.00 6.43 ? 117 GLU A N 1
1330
+ ATOM 895 C CA . GLU A 1 117 ? 9.907 12.012 25.216 0.69 6.37 ? 117 GLU A CA 1
1331
+ ATOM 896 C C . GLU A 1 117 ? 9.495 11.757 26.658 1.00 6.69 ? 117 GLU A C 1
1332
+ ATOM 897 O O . GLU A 1 117 ? 10.332 11.437 27.527 1.00 7.36 ? 117 GLU A O 1
1333
+ ATOM 898 C CB . GLU A 1 117 ? 9.920 13.499 24.842 0.69 7.31 ? 117 GLU A CB 1
1334
+ ATOM 899 C CG . GLU A 1 117 ? 10.971 14.339 25.573 0.69 7.47 ? 117 GLU A CG 1
1335
+ ATOM 900 C CD . GLU A 1 117 ? 10.552 14.854 26.907 0.69 10.41 ? 117 GLU A CD 1
1336
+ ATOM 901 O OE1 . GLU A 1 117 ? 9.318 14.926 27.167 0.69 15.73 ? 117 GLU A OE1 1
1337
+ ATOM 902 O OE2 . GLU A 1 117 ? 11.459 15.197 27.682 0.69 16.85 ? 117 GLU A OE2 1
1338
+ ATOM 903 N N . LYS A 1 118 ? 8.197 11.918 26.959 1.00 7.32 ? 118 LYS A N 1
1339
+ ATOM 904 C CA . LYS A 1 118 ? 7.724 11.731 28.303 1.00 8.08 ? 118 LYS A CA 1
1340
+ ATOM 905 C C . LYS A 1 118 ? 7.915 10.287 28.753 1.00 7.46 ? 118 LYS A C 1
1341
+ ATOM 906 O O . LYS A 1 118 ? 8.249 10.028 29.908 1.00 7.98 ? 118 LYS A O 1
1342
+ ATOM 907 C CB . LYS A 1 118 ? 6.260 12.157 28.416 1.00 9.46 ? 118 LYS A CB 1
1343
+ ATOM 908 C CG . LYS A 1 118 ? 6.016 13.632 28.244 1.00 11.86 ? 118 LYS A CG 1
1344
+ ATOM 909 C CD . LYS A 1 118 ? 4.580 14.020 28.290 1.00 16.60 ? 118 LYS A CD 1
1345
+ ATOM 910 C CE . LYS A 1 118 ? 4.388 15.534 28.126 1.00 23.08 ? 118 LYS A CE 1
1346
+ ATOM 911 N NZ . LYS A 1 118 ? 2.912 15.814 27.981 0.56 19.41 ? 118 LYS A NZ 1
1347
+ ATOM 912 N N . TYR A 1 119 ? 7.653 9.356 27.830 1.00 7.07 ? 119 TYR A N 1
1348
+ ATOM 913 C CA . TYR A 1 119 ? 7.785 7.922 28.072 1.00 6.85 ? 119 TYR A CA 1
1349
+ ATOM 914 C C . TYR A 1 119 ? 9.203 7.562 28.486 1.00 6.55 ? 119 TYR A C 1
1350
+ ATOM 915 O O . TYR A 1 119 ? 9.413 6.961 29.544 1.00 7.44 ? 119 TYR A O 1
1351
+ ATOM 916 C CB . TYR A 1 119 ? 7.368 7.208 26.801 1.00 6.88 ? 119 TYR A CB 1
1352
+ ATOM 917 C CG . TYR A 1 119 ? 7.365 5.713 26.770 1.00 6.70 ? 119 TYR A CG 1
1353
+ ATOM 918 C CD1 . TYR A 1 119 ? 6.603 4.947 27.623 1.00 7.19 ? 119 TYR A CD1 1
1354
+ ATOM 919 C CD2 . TYR A 1 119 ? 8.051 5.027 25.744 1.00 6.88 ? 119 TYR A CD2 1
1355
+ ATOM 920 C CE1 . TYR A 1 119 ? 6.553 3.575 27.541 1.00 7.72 ? 119 TYR A CE1 1
1356
+ ATOM 921 C CE2 . TYR A 1 119 ? 7.969 3.665 25.604 1.00 7.43 ? 119 TYR A CE2 1
1357
+ ATOM 922 C CZ . TYR A 1 119 ? 7.213 2.914 26.516 1.00 7.56 ? 119 TYR A CZ 1
1358
+ ATOM 923 O OH . TYR A 1 119 ? 7.128 1.551 26.415 1.00 9.66 ? 119 TYR A OH 1
1359
+ ATOM 924 N N . ILE A 1 120 ? 10.197 7.929 27.674 1.00 6.49 ? 120 ILE A N 1
1360
+ ATOM 925 C CA . ILE A 1 120 ? 11.572 7.546 28.001 1.00 6.37 ? 120 ILE A CA 1
1361
+ ATOM 926 C C . ILE A 1 120 ? 12.090 8.357 29.203 1.00 6.56 ? 120 ILE A C 1
1362
+ ATOM 927 O O . ILE A 1 120 ? 12.876 7.821 29.987 1.00 7.20 ? 120 ILE A O 1
1363
+ ATOM 928 C CB . ILE A 1 120 ? 12.543 7.551 26.816 1.00 6.21 ? 120 ILE A CB 1
1364
+ ATOM 929 C CG1 . ILE A 1 120 ? 12.848 8.921 26.228 1.00 6.26 ? 120 ILE A CG1 1
1365
+ ATOM 930 C CG2 . ILE A 1 120 ? 12.050 6.563 25.738 1.00 6.97 ? 120 ILE A CG2 1
1366
+ ATOM 931 C CD1 . ILE A 1 120 ? 13.984 8.928 25.224 1.00 6.87 ? 120 ILE A CD1 1
1367
+ ATOM 932 N N . LYS A 1 121 ? 11.652 9.598 29.383 1.00 6.72 ? 121 LYS A N 1
1368
+ ATOM 933 C CA . LYS A 1 121 ? 12.055 10.324 30.598 0.58 7.71 ? 121 LYS A CA 1
1369
+ ATOM 934 C C . LYS A 1 121 ? 11.567 9.572 31.842 1.00 7.50 ? 121 LYS A C 1
1370
+ ATOM 935 O O . LYS A 1 121 ? 12.312 9.419 32.818 1.00 8.48 ? 121 LYS A O 1
1371
+ ATOM 936 C CB . LYS A 1 121 ? 11.525 11.769 30.534 0.58 7.56 ? 121 LYS A CB 1
1372
+ ATOM 937 C CG . LYS A 1 121 ? 11.788 12.575 31.815 0.58 8.14 ? 121 LYS A CG 1
1373
+ ATOM 938 C CD . LYS A 1 121 ? 11.137 13.949 31.765 0.58 17.37 ? 121 LYS A CD 1
1374
+ ATOM 939 C CE . LYS A 1 121 ? 11.334 14.588 33.152 0.58 20.02 ? 121 LYS A CE 1
1375
+ ATOM 940 N NZ . LYS A 1 121 ? 10.607 14.105 34.384 0.58 27.78 ? 121 LYS A NZ 1
1376
+ ATOM 941 N N . SER A 1 122 ? 10.312 9.083 31.824 1.00 7.73 ? 122 SER A N 1
1377
+ ATOM 942 C CA . SER A 1 122 ? 9.759 8.372 32.970 0.64 9.10 ? 122 SER A CA 1
1378
+ ATOM 943 C C . SER A 1 122 ? 10.494 7.045 33.158 1.00 8.58 ? 122 SER A C 1
1379
+ ATOM 944 O O . SER A 1 122 ? 10.823 6.663 34.298 1.00 10.43 ? 122 SER A O 1
1380
+ ATOM 945 C CB . SER A 1 122 ? 8.252 8.200 32.759 0.64 8.88 ? 122 SER A CB 1
1381
+ ATOM 946 O OG . SER A 1 122 ? 7.578 7.483 33.760 0.64 9.35 ? 122 SER A OG 1
1382
+ ATOM 947 N N . ILE A 1 123 ? 10.779 6.317 32.079 1.00 7.92 ? 123 ILE A N 1
1383
+ ATOM 948 C CA . ILE A 1 123 ? 11.498 5.070 32.160 1.00 7.92 ? 123 ILE A CA 1
1384
+ ATOM 949 C C . ILE A 1 123 ? 12.883 5.265 32.784 1.00 8.25 ? 123 ILE A C 1
1385
+ ATOM 950 O O . ILE A 1 123 ? 13.345 4.468 33.619 1.00 9.79 ? 123 ILE A O 1
1386
+ ATOM 951 C CB . ILE A 1 123 ? 11.608 4.397 30.776 1.00 7.56 ? 123 ILE A CB 1
1387
+ ATOM 952 C CG1 . ILE A 1 123 ? 10.257 3.913 30.293 1.00 8.18 ? 123 ILE A CG1 1
1388
+ ATOM 953 C CG2 . ILE A 1 123 ? 12.638 3.281 30.761 1.00 9.03 ? 123 ILE A CG2 1
1389
+ ATOM 954 C CD1 . ILE A 1 123 ? 10.207 3.561 28.813 1.00 8.69 ? 123 ILE A CD1 1
1390
+ ATOM 955 N N . GLU A 1 124 ? 13.572 6.313 32.353 1.00 8.07 ? 124 GLU A N 1
1391
+ ATOM 956 C CA . GLU A 1 124 ? 14.986 6.527 32.759 1.00 8.66 ? 124 GLU A CA 1
1392
+ ATOM 957 C C . GLU A 1 124 ? 15.099 7.138 34.154 1.00 9.34 ? 124 GLU A C 1
1393
+ ATOM 958 O O . GLU A 1 124 ? 16.214 7.059 34.717 1.00 11.80 ? 124 GLU A O 1
1394
+ ATOM 959 C CB . GLU A 1 124 ? 15.733 7.369 31.724 1.00 8.04 ? 124 GLU A CB 1
1395
+ ATOM 960 C CG . GLU A 1 124 ? 15.794 6.692 30.350 1.00 7.51 ? 124 GLU A CG 1
1396
+ ATOM 961 C CD . GLU A 1 124 ? 16.716 7.360 29.370 1.00 7.10 ? 124 GLU A CD 1
1397
+ ATOM 962 O OE1 . GLU A 1 124 ? 17.796 7.875 29.657 1.00 8.72 ? 124 GLU A OE1 1
1398
+ ATOM 963 O OE2 . GLU A 1 124 ? 16.312 7.334 28.137 1.00 8.41 ? 124 GLU A OE2 1
1399
+ ATOM 964 N N . GLU A 1 125 ? 14.042 7.749 34.682 1.00 9.68 ? 125 GLU A N 1
1400
+ ATOM 965 C CA . GLU A 1 125 ? 14.157 8.415 35.989 0.43 13.01 ? 125 GLU A CA 1
1401
+ ATOM 966 C C . GLU A 1 125 ? 14.479 7.451 37.100 1.00 24.11 ? 125 GLU A C 1
1402
+ ATOM 967 O O . GLU A 1 125 ? 14.352 7.765 38.316 0.43 25.65 ? 125 GLU A O 1
1403
+ ATOM 968 C CB . GLU A 1 125 ? 12.864 9.154 36.329 0.43 15.26 ? 125 GLU A CB 1
1404
+ ATOM 969 C CG . GLU A 1 125 ? 13.140 10.143 37.471 0.43 13.59 ? 125 GLU A CG 1
1405
+ ATOM 970 C CD . GLU A 1 125 ? 11.884 10.863 37.905 0.43 19.37 ? 125 GLU A CD 1
1406
+ ATOM 971 O OE1 . GLU A 1 125 ? 10.783 10.442 37.454 0.43 26.32 ? 125 GLU A OE1 1
1407
+ ATOM 972 O OE2 . GLU A 1 125 ? 12.050 11.817 38.663 0.43 19.62 ? 125 GLU A OE2 1
1408
+ ATOM 973 O OXT . GLU A 1 125 ? 14.901 6.316 36.836 0.43 25.44 ? 125 GLU A OXT 1
1409
+ #
1410
+ loop_
1411
+ _pdbx_audit_revision_history.ordinal
1412
+ _pdbx_audit_revision_history.data_content_type
1413
+ _pdbx_audit_revision_history.major_revision
1414
+ _pdbx_audit_revision_history.minor_revision
1415
+ _pdbx_audit_revision_history.revision_date
1416
+ 1 'Structure model' 1 0 2013-10-30
1417
+ 2 'Structure model' 1 1 2013-12-11
1418
+ #
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1
+ data_3WGX_A
2
+ #
3
+ _pdbx_database_status.entry_id 3WGX_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
+ ;SHMGLYELSASNFELHVAQGDHFIKFFAPWCGHAKALAPTWEQLALGLEHSETVKIGKVDCTQHYELCSGNQVRGYPTLL
22
+ WFRDGKKVDQYKGKRDLESLREYVESQLQ
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;SHMGLYELSASNFELHVAQGDHFIKFFAPWCGHAKALAPTWEQLALGLEHSETVKIGKVDCTQHYELCSGNQVRGYPTLL
26
+ WFRDGKKVDQYKGKRDLESLREYVESQLQ
27
+ ;
28
+ _entity_poly.pdbx_strand_id A
29
+ _entity_poly.pdbx_target_identifier ?
30
+ #
31
+ loop_
32
+ _entity_poly_seq.entity_id
33
+ _entity_poly_seq.num
34
+ _entity_poly_seq.mon_id
35
+ _entity_poly_seq.hetero
36
+ 1 1 SER n
37
+ 1 2 HIS n
38
+ 1 3 MET n
39
+ 1 4 GLY n
40
+ 1 5 LEU n
41
+ 1 6 TYR n
42
+ 1 7 GLU n
43
+ 1 8 LEU n
44
+ 1 9 SER n
45
+ 1 10 ALA n
46
+ 1 11 SER n
47
+ 1 12 ASN n
48
+ 1 13 PHE n
49
+ 1 14 GLU n
50
+ 1 15 LEU n
51
+ 1 16 HIS n
52
+ 1 17 VAL n
53
+ 1 18 ALA n
54
+ 1 19 GLN n
55
+ 1 20 GLY n
56
+ 1 21 ASP n
57
+ 1 22 HIS n
58
+ 1 23 PHE n
59
+ 1 24 ILE n
60
+ 1 25 LYS n
61
+ 1 26 PHE n
62
+ 1 27 PHE n
63
+ 1 28 ALA n
64
+ 1 29 PRO n
65
+ 1 30 TRP n
66
+ 1 31 CYS n
67
+ 1 32 GLY n
68
+ 1 33 HIS n
69
+ 1 34 ALA n
70
+ 1 35 LYS n
71
+ 1 36 ALA n
72
+ 1 37 LEU n
73
+ 1 38 ALA n
74
+ 1 39 PRO n
75
+ 1 40 THR n
76
+ 1 41 TRP n
77
+ 1 42 GLU n
78
+ 1 43 GLN n
79
+ 1 44 LEU n
80
+ 1 45 ALA n
81
+ 1 46 LEU n
82
+ 1 47 GLY n
83
+ 1 48 LEU n
84
+ 1 49 GLU n
85
+ 1 50 HIS n
86
+ 1 51 SER n
87
+ 1 52 GLU n
88
+ 1 53 THR n
89
+ 1 54 VAL n
90
+ 1 55 LYS n
91
+ 1 56 ILE n
92
+ 1 57 GLY n
93
+ 1 58 LYS n
94
+ 1 59 VAL n
95
+ 1 60 ASP n
96
+ 1 61 CYS n
97
+ 1 62 THR n
98
+ 1 63 GLN n
99
+ 1 64 HIS n
100
+ 1 65 TYR n
101
+ 1 66 GLU n
102
+ 1 67 LEU n
103
+ 1 68 CYS n
104
+ 1 69 SER n
105
+ 1 70 GLY n
106
+ 1 71 ASN n
107
+ 1 72 GLN n
108
+ 1 73 VAL n
109
+ 1 74 ARG n
110
+ 1 75 GLY n
111
+ 1 76 TYR n
112
+ 1 77 PRO n
113
+ 1 78 THR n
114
+ 1 79 LEU n
115
+ 1 80 LEU n
116
+ 1 81 TRP n
117
+ 1 82 PHE n
118
+ 1 83 ARG n
119
+ 1 84 ASP n
120
+ 1 85 GLY n
121
+ 1 86 LYS n
122
+ 1 87 LYS n
123
+ 1 88 VAL n
124
+ 1 89 ASP n
125
+ 1 90 GLN n
126
+ 1 91 TYR n
127
+ 1 92 LYS n
128
+ 1 93 GLY n
129
+ 1 94 LYS n
130
+ 1 95 ARG n
131
+ 1 96 ASP n
132
+ 1 97 LEU n
133
+ 1 98 GLU n
134
+ 1 99 SER n
135
+ 1 100 LEU n
136
+ 1 101 ARG n
137
+ 1 102 GLU n
138
+ 1 103 TYR n
139
+ 1 104 VAL n
140
+ 1 105 GLU n
141
+ 1 106 SER n
142
+ 1 107 GLN n
143
+ 1 108 LEU n
144
+ 1 109 GLN n
145
+ #
146
+ _entity.id 1
147
+ _entity.type polymer
148
+ _entity.src_method man
149
+ _entity.pdbx_description ?
150
+ _entity.formula_weight 12531.138
151
+ _entity.pdbx_number_of_molecules 1
152
+ _entity.pdbx_ec ?
153
+ _entity.pdbx_mutation ?
154
+ _entity.pdbx_fragment ?
155
+ _entity.details ?
156
+ #
157
+ loop_
158
+ _pdbx_poly_seq_scheme.asym_id
159
+ _pdbx_poly_seq_scheme.entity_id
160
+ _pdbx_poly_seq_scheme.seq_id
161
+ _pdbx_poly_seq_scheme.mon_id
162
+ _pdbx_poly_seq_scheme.ndb_seq_num
163
+ _pdbx_poly_seq_scheme.pdb_seq_num
164
+ _pdbx_poly_seq_scheme.auth_seq_num
165
+ _pdbx_poly_seq_scheme.pdb_mon_id
166
+ _pdbx_poly_seq_scheme.auth_mon_id
167
+ _pdbx_poly_seq_scheme.pdb_strand_id
168
+ _pdbx_poly_seq_scheme.pdb_ins_code
169
+ _pdbx_poly_seq_scheme.hetero
170
+ A 1 1 SER 1 1 1 SER SER A . n
171
+ A 1 2 HIS 2 2 2 HIS HIS A . n
172
+ A 1 3 MET 3 3 3 MET MET A . n
173
+ A 1 4 GLY 4 4 4 GLY GLY A . n
174
+ A 1 5 LEU 5 5 5 LEU LEU A . n
175
+ A 1 6 TYR 6 6 6 TYR TYR A . n
176
+ A 1 7 GLU 7 7 7 GLU GLU A . n
177
+ A 1 8 LEU 8 8 8 LEU LEU A . n
178
+ A 1 9 SER 9 9 9 SER SER A . n
179
+ A 1 10 ALA 10 10 10 ALA ALA A . n
180
+ A 1 11 SER 11 11 11 SER SER A . n
181
+ A 1 12 ASN 12 12 12 ASN ASN A . n
182
+ A 1 13 PHE 13 13 13 PHE PHE A . n
183
+ A 1 14 GLU 14 14 14 GLU GLU A . n
184
+ A 1 15 LEU 15 15 15 LEU LEU A . n
185
+ A 1 16 HIS 16 16 16 HIS HIS A . n
186
+ A 1 17 VAL 17 17 17 VAL VAL A . n
187
+ A 1 18 ALA 18 18 18 ALA ALA A . n
188
+ A 1 19 GLN 19 19 19 GLN GLN A . n
189
+ A 1 20 GLY 20 20 20 GLY GLY A . n
190
+ A 1 21 ASP 21 21 21 ASP ASP A . n
191
+ A 1 22 HIS 22 22 22 HIS HIS A . n
192
+ A 1 23 PHE 23 23 23 PHE PHE A . n
193
+ A 1 24 ILE 24 24 24 ILE ILE A . n
194
+ A 1 25 LYS 25 25 25 LYS LYS A . n
195
+ A 1 26 PHE 26 26 26 PHE PHE A . n
196
+ A 1 27 PHE 27 27 27 PHE PHE A . n
197
+ A 1 28 ALA 28 28 28 ALA ALA A . n
198
+ A 1 29 PRO 29 29 29 PRO PRO A . n
199
+ A 1 30 TRP 30 30 30 TRP TRP A . n
200
+ A 1 31 CYS 31 31 31 CYS CYS A . n
201
+ A 1 32 GLY 32 32 32 GLY GLY A . n
202
+ A 1 33 HIS 33 33 33 HIS HIS A . n
203
+ A 1 34 ALA 34 34 34 ALA ALA A . n
204
+ A 1 35 LYS 35 35 35 LYS LYS A . n
205
+ A 1 36 ALA 36 36 36 ALA ALA A . n
206
+ A 1 37 LEU 37 37 37 LEU LEU A . n
207
+ A 1 38 ALA 38 38 38 ALA ALA A . n
208
+ A 1 39 PRO 39 39 39 PRO PRO A . n
209
+ A 1 40 THR 40 40 40 THR THR A . n
210
+ A 1 41 TRP 41 41 41 TRP TRP A . n
211
+ A 1 42 GLU 42 42 42 GLU GLU A . n
212
+ A 1 43 GLN 43 43 43 GLN GLN A . n
213
+ A 1 44 LEU 44 44 44 LEU LEU A . n
214
+ A 1 45 ALA 45 45 45 ALA ALA A . n
215
+ A 1 46 LEU 46 46 46 LEU LEU A . n
216
+ A 1 47 GLY 47 47 47 GLY GLY A . n
217
+ A 1 48 LEU 48 48 48 LEU LEU A . n
218
+ A 1 49 GLU 49 49 49 GLU GLU A . n
219
+ A 1 50 HIS 50 50 50 HIS HIS A . n
220
+ A 1 51 SER 51 51 51 SER SER A . n
221
+ A 1 52 GLU 52 52 52 GLU GLU A . n
222
+ A 1 53 THR 53 53 53 THR THR A . n
223
+ A 1 54 VAL 54 54 54 VAL VAL A . n
224
+ A 1 55 LYS 55 55 55 LYS LYS A . n
225
+ A 1 56 ILE 56 56 56 ILE ILE A . n
226
+ A 1 57 GLY 57 57 57 GLY GLY A . n
227
+ A 1 58 LYS 58 58 58 LYS LYS A . n
228
+ A 1 59 VAL 59 59 59 VAL VAL A . n
229
+ A 1 60 ASP 60 60 60 ASP ASP A . n
230
+ A 1 61 CYS 61 61 61 CYS CYS A . n
231
+ A 1 62 THR 62 62 62 THR THR A . n
232
+ A 1 63 GLN 63 63 63 GLN GLN A . n
233
+ A 1 64 HIS 64 64 64 HIS HIS A . n
234
+ A 1 65 TYR 65 65 65 TYR TYR A . n
235
+ A 1 66 GLU 66 66 66 GLU GLU A . n
236
+ A 1 67 LEU 67 67 67 LEU LEU A . n
237
+ A 1 68 CYS 68 68 68 CYS CYS A . n
238
+ A 1 69 SER 69 69 69 SER SER A . n
239
+ A 1 70 GLY 70 70 70 GLY GLY A . n
240
+ A 1 71 ASN 71 71 71 ASN ASN A . n
241
+ A 1 72 GLN 72 72 72 GLN GLN A . n
242
+ A 1 73 VAL 73 73 73 VAL VAL A . n
243
+ A 1 74 ARG 74 74 74 ARG ARG A . n
244
+ A 1 75 GLY 75 75 75 GLY GLY A . n
245
+ A 1 76 TYR 76 76 76 TYR TYR A . n
246
+ A 1 77 PRO 77 77 77 PRO PRO A . n
247
+ A 1 78 THR 78 78 78 THR THR A . n
248
+ A 1 79 LEU 79 79 79 LEU LEU A . n
249
+ A 1 80 LEU 80 80 80 LEU LEU A . n
250
+ A 1 81 TRP 81 81 81 TRP TRP A . n
251
+ A 1 82 PHE 82 82 82 PHE PHE A . n
252
+ A 1 83 ARG 83 83 83 ARG ARG A . n
253
+ A 1 84 ASP 84 84 84 ASP ASP A . n
254
+ A 1 85 GLY 85 85 85 GLY GLY A . n
255
+ A 1 86 LYS 86 86 86 LYS LYS A . n
256
+ A 1 87 LYS 87 87 87 LYS LYS A . n
257
+ A 1 88 VAL 88 88 88 VAL VAL A . n
258
+ A 1 89 ASP 89 89 89 ASP ASP A . n
259
+ A 1 90 GLN 90 90 90 GLN GLN A . n
260
+ A 1 91 TYR 91 91 91 TYR TYR A . n
261
+ A 1 92 LYS 92 92 92 LYS LYS A . n
262
+ A 1 93 GLY 93 93 93 GLY GLY A . n
263
+ A 1 94 LYS 94 94 94 LYS LYS A . n
264
+ A 1 95 ARG 95 95 95 ARG ARG A . n
265
+ A 1 96 ASP 96 96 96 ASP ASP A . n
266
+ A 1 97 LEU 97 97 97 LEU LEU A . n
267
+ A 1 98 GLU 98 98 98 GLU GLU A . n
268
+ A 1 99 SER 99 99 99 SER SER A . n
269
+ A 1 100 LEU 100 100 100 LEU LEU A . n
270
+ A 1 101 ARG 101 101 101 ARG ARG A . n
271
+ A 1 102 GLU 102 102 102 GLU GLU A . n
272
+ A 1 103 TYR 103 103 103 TYR TYR A . n
273
+ A 1 104 VAL 104 104 104 VAL VAL A . n
274
+ A 1 105 GLU 105 105 105 GLU GLU A . n
275
+ A 1 106 SER 106 106 106 SER SER A . n
276
+ A 1 107 GLN 107 107 107 GLN GLN A . n
277
+ A 1 108 LEU 108 108 108 LEU LEU A . n
278
+ A 1 109 GLN 109 109 109 GLN GLN A . n
279
+ #
280
+ loop_
281
+ _chem_comp.id
282
+ _chem_comp.type
283
+ _chem_comp.mon_nstd_flag
284
+ _chem_comp.name
285
+ _chem_comp.pdbx_synonyms
286
+ _chem_comp.formula
287
+ _chem_comp.formula_weight
288
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
289
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
290
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
291
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
292
+ CYS "L-peptide linking" y CYSTEINE ? "C3 H7 N O2 S" 121.158
293
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
294
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
295
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
296
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
297
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
298
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
299
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
300
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
301
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
302
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
303
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
304
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
305
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
306
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
307
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
308
+ #
309
+ _struct_asym.id A
310
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
311
+ _struct_asym.pdbx_modified N
312
+ _struct_asym.entity_id 1
313
+ _struct_asym.details ?
314
+ #
315
+ _struct_mon_prot_cis.pdbx_id 1
316
+ _struct_mon_prot_cis.label_comp_id TYR
317
+ _struct_mon_prot_cis.label_seq_id 76
318
+ _struct_mon_prot_cis.label_asym_id A
319
+ _struct_mon_prot_cis.label_alt_id .
320
+ _struct_mon_prot_cis.pdbx_PDB_ins_code ?
321
+ _struct_mon_prot_cis.auth_comp_id TYR
322
+ _struct_mon_prot_cis.auth_seq_id 76
323
+ _struct_mon_prot_cis.auth_asym_id A
324
+ _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO
325
+ _struct_mon_prot_cis.pdbx_label_seq_id_2 77
326
+ _struct_mon_prot_cis.pdbx_label_asym_id_2 A
327
+ _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ?
328
+ _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO
329
+ _struct_mon_prot_cis.pdbx_auth_seq_id_2 77
330
+ _struct_mon_prot_cis.pdbx_auth_asym_id_2 A
331
+ _struct_mon_prot_cis.pdbx_PDB_model_num 1
332
+ _struct_mon_prot_cis.pdbx_omega_angle -8.04
333
+ #
334
+ _atom_sites.entry_id 3WGX_A
335
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
336
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
337
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
338
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
339
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
340
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
341
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
342
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
343
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
344
+ _atom_sites.fract_transf_vector[1] 0.00000
345
+ _atom_sites.fract_transf_vector[2] 0.00000
346
+ _atom_sites.fract_transf_vector[3] 0.00000
347
+ #
348
+ _pdbx_validate_close_contact.id 1
349
+ _pdbx_validate_close_contact.PDB_model_num 1
350
+ _pdbx_validate_close_contact.auth_atom_id_1 SG
351
+ _pdbx_validate_close_contact.auth_asym_id_1 A
352
+ _pdbx_validate_close_contact.auth_comp_id_1 CYS
353
+ _pdbx_validate_close_contact.auth_seq_id_1 61
354
+ _pdbx_validate_close_contact.PDB_ins_code_1 ?
355
+ _pdbx_validate_close_contact.label_alt_id_1 ?
356
+ _pdbx_validate_close_contact.auth_atom_id_2 SG
357
+ _pdbx_validate_close_contact.auth_asym_id_2 A
358
+ _pdbx_validate_close_contact.auth_comp_id_2 CYS
359
+ _pdbx_validate_close_contact.auth_seq_id_2 68
360
+ _pdbx_validate_close_contact.PDB_ins_code_2 ?
361
+ _pdbx_validate_close_contact.label_alt_id_2 ?
362
+ _pdbx_validate_close_contact.dist 2.05
363
+ #
364
+ loop_
365
+ _pdbx_unobs_or_zero_occ_atoms.id
366
+ _pdbx_unobs_or_zero_occ_atoms.PDB_model_num
367
+ _pdbx_unobs_or_zero_occ_atoms.polymer_flag
368
+ _pdbx_unobs_or_zero_occ_atoms.occupancy_flag
369
+ _pdbx_unobs_or_zero_occ_atoms.auth_asym_id
370
+ _pdbx_unobs_or_zero_occ_atoms.auth_comp_id
371
+ _pdbx_unobs_or_zero_occ_atoms.auth_seq_id
372
+ _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
373
+ _pdbx_unobs_or_zero_occ_atoms.auth_atom_id
374
+ _pdbx_unobs_or_zero_occ_atoms.label_alt_id
375
+ _pdbx_unobs_or_zero_occ_atoms.label_asym_id
376
+ _pdbx_unobs_or_zero_occ_atoms.label_comp_id
377
+ _pdbx_unobs_or_zero_occ_atoms.label_seq_id
378
+ _pdbx_unobs_or_zero_occ_atoms.label_atom_id
379
+ 1 1 Y 1 A GLN 19 ? CG ? A GLN 19 CG
380
+ 2 1 Y 1 A GLN 19 ? CD ? A GLN 19 CD
381
+ 3 1 Y 1 A GLN 19 ? OE1 ? A GLN 19 OE1
382
+ 4 1 Y 1 A GLN 19 ? NE2 ? A GLN 19 NE2
383
+ 5 1 Y 1 A LYS 86 ? CD ? A LYS 86 CD
384
+ 6 1 Y 1 A LYS 86 ? CE ? A LYS 86 CE
385
+ 7 1 Y 1 A LYS 86 ? NZ ? A LYS 86 NZ
386
+ 8 1 Y 1 A GLN 109 ? CD ? A GLN 109 CD
387
+ 9 1 Y 1 A GLN 109 ? OE1 ? A GLN 109 OE1
388
+ 10 1 Y 1 A GLN 109 ? NE2 ? A GLN 109 NE2
389
+ #
390
+ loop_
391
+ _atom_type.symbol
392
+ C
393
+ N
394
+ O
395
+ S
396
+ #
397
+ _entry.id 3WGX_A
398
+ #
399
+ loop_
400
+ _atom_site.group_PDB
401
+ _atom_site.id
402
+ _atom_site.type_symbol
403
+ _atom_site.label_atom_id
404
+ _atom_site.label_alt_id
405
+ _atom_site.label_comp_id
406
+ _atom_site.label_asym_id
407
+ _atom_site.label_entity_id
408
+ _atom_site.label_seq_id
409
+ _atom_site.pdbx_PDB_ins_code
410
+ _atom_site.Cartn_x
411
+ _atom_site.Cartn_y
412
+ _atom_site.Cartn_z
413
+ _atom_site.occupancy
414
+ _atom_site.B_iso_or_equiv
415
+ _atom_site.pdbx_formal_charge
416
+ _atom_site.auth_seq_id
417
+ _atom_site.auth_comp_id
418
+ _atom_site.auth_asym_id
419
+ _atom_site.auth_atom_id
420
+ _atom_site.pdbx_PDB_model_num
421
+ ATOM 1 N N . SER A 1 1 ? 31.080 20.122 9.477 0.51 17.29 ? 1 SER A N 1
422
+ ATOM 2 C CA . SER A 1 1 ? 31.822 19.606 8.327 0.51 13.34 ? 1 SER A CA 1
423
+ ATOM 3 C C . SER A 1 1 ? 32.631 18.339 8.664 0.51 10.58 ? 1 SER A C 1
424
+ ATOM 4 O O . SER A 1 1 ? 32.896 18.051 9.835 0.51 13.74 ? 1 SER A O 1
425
+ ATOM 5 C CB . SER A 1 1 ? 32.809 20.649 7.804 0.51 14.49 ? 1 SER A CB 1
426
+ ATOM 6 O OG . SER A 1 1 ? 33.985 20.739 8.608 0.51 16.52 ? 1 SER A OG 1
427
+ ATOM 7 N N . HIS A 1 2 ? 33.080 17.628 7.616 0.51 6.20 ? 2 HIS A N 1
428
+ ATOM 8 C CA . HIS A 1 2 ? 34.028 16.514 7.736 0.51 6.48 ? 2 HIS A CA 1
429
+ ATOM 9 C C . HIS A 1 2 ? 35.346 16.985 7.099 0.51 5.47 ? 2 HIS A C 1
430
+ ATOM 10 O O . HIS A 1 2 ? 35.450 17.063 5.850 0.51 4.90 ? 2 HIS A O 1
431
+ ATOM 11 C CB . HIS A 1 2 ? 33.500 15.269 7.013 0.51 9.64 ? 2 HIS A CB 1
432
+ ATOM 12 C CG . HIS A 1 2 ? 34.447 14.109 7.060 0.51 13.21 ? 2 HIS A CG 1
433
+ ATOM 13 N ND1 . HIS A 1 2 ? 35.258 13.760 6.004 0.51 17.68 ? 2 HIS A ND1 1
434
+ ATOM 14 C CD2 . HIS A 1 2 ? 34.750 13.249 8.063 0.51 14.76 ? 2 HIS A CD2 1
435
+ ATOM 15 C CE1 . HIS A 1 2 ? 35.979 12.703 6.337 0.51 15.77 ? 2 HIS A CE1 1
436
+ ATOM 16 N NE2 . HIS A 1 2 ? 35.715 12.391 7.594 0.51 11.72 ? 2 HIS A NE2 1
437
+ ATOM 17 N N . MET A 1 3 ? 36.328 17.363 7.924 1.00 5.73 ? 3 MET A N 1
438
+ ATOM 18 C CA . MET A 1 3 ? 37.578 17.907 7.421 1.00 5.41 ? 3 MET A CA 1
439
+ ATOM 19 C C . MET A 1 3 ? 37.323 19.024 6.415 1.00 4.85 ? 3 MET A C 1
440
+ ATOM 20 O O . MET A 1 3 ? 37.942 19.111 5.353 1.00 5.68 ? 3 MET A O 1
441
+ ATOM 21 C CB . MET A 1 3 ? 38.515 16.835 6.872 1.00 6.02 ? 3 MET A CB 1
442
+ ATOM 22 C CG . MET A 1 3 ? 38.867 15.812 7.953 1.00 7.03 ? 3 MET A CG 1
443
+ ATOM 23 S SD . MET A 1 3 ? 40.079 14.616 7.458 1.00 7.65 ? 3 MET A SD 1
444
+ ATOM 24 C CE . MET A 1 3 ? 39.110 13.670 6.261 1.00 9.85 ? 3 MET A CE 1
445
+ ATOM 25 N N . GLY A 1 4 ? 36.417 19.916 6.801 1.00 4.95 ? 4 GLY A N 1
446
+ ATOM 26 C CA . GLY A 1 4 ? 36.125 21.097 5.988 1.00 5.00 ? 4 GLY A CA 1
447
+ ATOM 27 C C . GLY A 1 4 ? 34.994 20.926 4.980 1.00 4.63 ? 4 GLY A C 1
448
+ ATOM 28 O O . GLY A 1 4 ? 34.548 21.933 4.428 1.00 6.13 ? 4 GLY A O 1
449
+ ATOM 29 N N . LEU A 1 5 ? 34.549 19.711 4.718 1.00 4.55 ? 5 LEU A N 1
450
+ ATOM 30 C CA . LEU A 1 5 ? 33.558 19.474 3.659 1.00 4.52 ? 5 LEU A CA 1
451
+ ATOM 31 C C . LEU A 1 5 ? 32.190 19.335 4.298 1.00 4.56 ? 5 LEU A C 1
452
+ ATOM 32 O O . LEU A 1 5 ? 31.949 18.378 5.052 1.00 5.46 ? 5 LEU A O 1
453
+ ATOM 33 C CB . LEU A 1 5 ? 33.949 18.233 2.858 1.00 5.13 ? 5 LEU A CB 1
454
+ ATOM 34 C CG . LEU A 1 5 ? 33.030 17.880 1.704 1.00 5.58 ? 5 LEU A CG 1
455
+ ATOM 35 C CD1 . LEU A 1 5 ? 32.777 19.064 0.754 1.00 5.32 ? 5 LEU A CD1 1
456
+ ATOM 36 C CD2 . LEU A 1 5 ? 33.647 16.727 0.948 1.00 7.30 ? 5 LEU A CD2 1
457
+ ATOM 37 N N . TYR A 1 6 ? 31.287 20.244 3.975 1.00 4.73 ? 6 TYR A N 1
458
+ ATOM 38 C CA . TYR A 1 6 ? 29.938 20.255 4.508 1.00 5.26 ? 6 TYR A CA 1
459
+ ATOM 39 C C . TYR A 1 6 ? 29.020 19.430 3.610 1.00 5.38 ? 6 TYR A C 1
460
+ ATOM 40 O O . TYR A 1 6 ? 28.915 19.674 2.420 1.00 5.99 ? 6 TYR A O 1
461
+ ATOM 41 C CB . TYR A 1 6 ? 29.397 21.683 4.609 1.00 6.20 ? 6 TYR A CB 1
462
+ ATOM 42 C CG . TYR A 1 6 ? 30.079 22.510 5.670 1.00 7.18 ? 6 TYR A CG 1
463
+ ATOM 43 C CD1 . TYR A 1 6 ? 31.249 23.177 5.410 1.00 8.52 ? 6 TYR A CD1 1
464
+ ATOM 44 C CD2 . TYR A 1 6 ? 29.511 22.628 6.934 1.00 8.63 ? 6 TYR A CD2 1
465
+ ATOM 45 C CE1 . TYR A 1 6 ? 31.862 23.941 6.396 1.00 11.30 ? 6 TYR A CE1 1
466
+ ATOM 46 C CE2 . TYR A 1 6 ? 30.099 23.396 7.906 1.00 10.77 ? 6 TYR A CE2 1
467
+ ATOM 47 C CZ . TYR A 1 6 ? 31.271 24.040 7.640 1.00 12.29 ? 6 TYR A CZ 1
468
+ ATOM 48 O OH . TYR A 1 6 ? 31.838 24.814 8.625 1.00 15.41 ? 6 TYR A OH 1
469
+ ATOM 49 N N . GLU A 1 7 ? 28.289 18.494 4.197 1.00 7.90 ? 7 GLU A N 1
470
+ ATOM 50 C CA . GLU A 1 7 ? 27.252 17.734 3.505 1.00 8.96 ? 7 GLU A CA 1
471
+ ATOM 51 C C . GLU A 1 7 ? 25.954 18.519 3.622 1.00 6.56 ? 7 GLU A C 1
472
+ ATOM 52 O O . GLU A 1 7 ? 25.450 18.736 4.748 1.00 8.60 ? 7 GLU A O 1
473
+ ATOM 53 C CB . GLU A 1 7 ? 27.064 16.359 4.207 1.00 12.39 ? 7 GLU A CB 1
474
+ ATOM 54 C CG . GLU A 1 7 ? 25.950 15.486 3.632 1.00 17.08 ? 7 GLU A CG 1
475
+ ATOM 55 C CD . GLU A 1 7 ? 26.220 14.796 2.304 1.00 22.60 ? 7 GLU A CD 1
476
+ ATOM 56 O OE1 . GLU A 1 7 ? 27.174 15.165 1.612 1.00 26.29 ? 7 GLU A OE1 1
477
+ ATOM 57 O OE2 . GLU A 1 7 ? 25.440 13.884 1.919 1.00 26.75 ? 7 GLU A OE2 1
478
+ ATOM 58 N N . LEU A 1 8 ? 25.405 18.933 2.509 1.00 5.93 ? 8 LEU A N 1
479
+ ATOM 59 C CA . LEU A 1 8 ? 24.210 19.774 2.505 1.00 6.28 ? 8 LEU A CA 1
480
+ ATOM 60 C C . LEU A 1 8 ? 23.020 18.990 1.993 1.00 6.64 ? 8 LEU A C 1
481
+ ATOM 61 O O . LEU A 1 8 ? 23.139 18.110 1.133 1.00 7.80 ? 8 LEU A O 1
482
+ ATOM 62 C CB . LEU A 1 8 ? 24.496 21.017 1.649 1.00 6.94 ? 8 LEU A CB 1
483
+ ATOM 63 C CG . LEU A 1 8 ? 25.704 21.858 2.065 1.00 6.92 ? 8 LEU A CG 1
484
+ ATOM 64 C CD1 . LEU A 1 8 ? 25.924 23.006 1.130 1.00 8.44 ? 8 LEU A CD1 1
485
+ ATOM 65 C CD2 . LEU A 1 8 ? 25.588 22.326 3.511 1.00 7.20 ? 8 LEU A CD2 1
486
+ ATOM 66 N N . SER A 1 9 ? 21.872 19.351 2.516 1.00 7.21 ? 9 SER A N 1
487
+ ATOM 67 C CA . SER A 1 9 ? 20.638 18.657 2.267 1.00 7.44 ? 9 SER A CA 1
488
+ ATOM 68 C C . SER A 1 9 ? 19.529 19.655 1.993 1.00 7.60 ? 9 SER A C 1
489
+ ATOM 69 O O . SER A 1 9 ? 19.687 20.853 2.199 1.00 8.20 ? 9 SER A O 1
490
+ ATOM 70 C CB . SER A 1 9 ? 20.265 17.840 3.499 1.00 9.71 ? 9 SER A CB 1
491
+ ATOM 71 O OG . SER A 1 9 ? 19.931 18.751 4.542 1.00 10.28 ? 9 SER A OG 1
492
+ ATOM 72 N N . ALA A 1 10 ? 18.390 19.132 1.519 1.00 9.87 ? 10 ALA A N 1
493
+ ATOM 73 C CA . ALA A 1 10 ? 17.229 19.978 1.428 1.00 11.24 ? 10 ALA A CA 1
494
+ ATOM 74 C C . ALA A 1 10 ? 16.873 20.638 2.772 1.00 11.85 ? 10 ALA A C 1
495
+ ATOM 75 O O . ALA A 1 10 ? 16.340 21.712 2.765 1.00 14.76 ? 10 ALA A O 1
496
+ ATOM 76 C CB . ALA A 1 10 ? 16.043 19.165 0.908 1.00 13.86 ? 10 ALA A CB 1
497
+ ATOM 77 N N . SER A 1 11 ? 17.168 19.967 3.880 1.00 11.76 ? 11 SER A N 1
498
+ ATOM 78 C CA . SER A 1 11 ? 16.843 20.472 5.214 1.00 12.85 ? 11 SER A CA 1
499
+ ATOM 79 C C . SER A 1 11 ? 17.760 21.553 5.726 1.00 12.29 ? 11 SER A C 1
500
+ ATOM 80 O O . SER A 1 11 ? 17.370 22.186 6.664 1.00 14.69 ? 11 SER A O 1
501
+ ATOM 81 C CB . SER A 1 11 ? 16.847 19.322 6.227 1.00 16.13 ? 11 SER A CB 1
502
+ ATOM 82 O OG . SER A 1 11 ? 15.882 18.344 5.922 1.00 20.62 ? 11 SER A OG 1
503
+ ATOM 83 N N . ASN A 1 12 ? 19.002 21.692 5.260 1.00 9.27 ? 12 ASN A N 1
504
+ ATOM 84 C CA . ASN A 1 12 ? 19.910 22.666 5.824 1.00 8.96 ? 12 ASN A CA 1
505
+ ATOM 85 C C . ASN A 1 12 ? 20.504 23.642 4.802 1.00 8.23 ? 12 ASN A C 1
506
+ ATOM 86 O O . ASN A 1 12 ? 21.267 24.527 5.182 1.00 8.14 ? 12 ASN A O 1
507
+ ATOM 87 C CB . ASN A 1 12 ? 21.037 22.006 6.623 1.00 9.14 ? 12 ASN A CB 1
508
+ ATOM 88 C CG . ASN A 1 12 ? 22.064 21.264 5.759 1.00 9.18 ? 12 ASN A CG 1
509
+ ATOM 89 O OD1 . ASN A 1 12 ? 22.026 21.329 4.541 1.00 8.93 ? 12 ASN A OD1 1
510
+ ATOM 90 N ND2 . ASN A 1 12 ? 23.037 20.623 6.400 1.00 12.57 ? 12 ASN A ND2 1
511
+ ATOM 91 N N . PHE A 1 13 ? 20.135 23.514 3.522 1.00 8.37 ? 13 PHE A N 1
512
+ ATOM 92 C CA . PHE A 1 13 ? 20.853 24.293 2.495 1.00 7.71 ? 13 PHE A CA 1
513
+ ATOM 93 C C . PHE A 1 13 ? 20.678 25.819 2.685 1.00 7.39 ? 13 PHE A C 1
514
+ ATOM 94 O O . PHE A 1 13 ? 21.625 26.600 2.614 1.00 7.77 ? 13 PHE A O 1
515
+ ATOM 95 C CB . PHE A 1 13 ? 20.360 23.870 1.105 1.00 8.99 ? 13 PHE A CB 1
516
+ ATOM 96 C CG . PHE A 1 13 ? 21.132 24.479 -0.026 1.00 7.90 ? 13 PHE A CG 1
517
+ ATOM 97 C CD1 . PHE A 1 13 ? 22.260 23.858 -0.502 1.00 7.27 ? 13 PHE A CD1 1
518
+ ATOM 98 C CD2 . PHE A 1 13 ? 20.717 25.661 -0.620 1.00 9.62 ? 13 PHE A CD2 1
519
+ ATOM 99 C CE1 . PHE A 1 13 ? 22.969 24.426 -1.549 1.00 7.81 ? 13 PHE A CE1 1
520
+ ATOM 100 C CE2 . PHE A 1 13 ? 21.403 26.213 -1.669 1.00 9.53 ? 13 PHE A CE2 1
521
+ ATOM 101 C CZ . PHE A 1 13 ? 22.552 25.594 -2.128 1.00 8.97 ? 13 PHE A CZ 1
522
+ ATOM 102 N N . GLU A 1 14 ? 19.408 26.231 2.851 1.00 9.26 ? 14 GLU A N 1
523
+ ATOM 103 C CA . GLU A 1 14 ? 19.069 27.642 2.903 1.00 10.10 ? 14 GLU A CA 1
524
+ ATOM 104 C C . GLU A 1 14 ? 19.810 28.316 4.103 1.00 8.04 ? 14 GLU A C 1
525
+ ATOM 105 O O . GLU A 1 14 ? 20.431 29.373 3.953 1.00 9.48 ? 14 GLU A O 1
526
+ ATOM 106 C CB . GLU A 1 14 ? 17.544 27.736 3.060 1.00 13.34 ? 14 GLU A CB 1
527
+ ATOM 107 C CG . GLU A 1 14 ? 16.999 29.099 3.173 1.00 13.99 ? 14 GLU A CG 1
528
+ ATOM 108 C CD . GLU A 1 14 ? 15.532 29.046 3.423 1.00 13.05 ? 14 GLU A CD 1
529
+ ATOM 109 O OE1 . GLU A 1 14 ? 14.798 28.669 2.489 1.00 17.05 ? 14 GLU A OE1 1
530
+ ATOM 110 O OE2 . GLU A 1 14 ? 15.084 29.356 4.546 1.00 10.76 ? 14 GLU A OE2 1
531
+ ATOM 111 N N . LEU A 1 15 ? 19.771 27.659 5.248 1.00 7.93 ? 15 LEU A N 1
532
+ ATOM 112 C CA . LEU A 1 15 ? 20.463 28.167 6.419 1.00 7.88 ? 15 LEU A CA 1
533
+ ATOM 113 C C . LEU A 1 15 ? 21.958 28.296 6.147 1.00 6.95 ? 15 LEU A C 1
534
+ ATOM 114 O O . LEU A 1 15 ? 22.612 29.264 6.485 1.00 8.67 ? 15 LEU A O 1
535
+ ATOM 115 C CB . LEU A 1 15 ? 20.201 27.229 7.580 1.00 7.92 ? 15 LEU A CB 1
536
+ ATOM 116 C CG . LEU A 1 15 ? 20.991 27.386 8.857 1.00 9.24 ? 15 LEU A CG 1
537
+ ATOM 117 C CD1 . LEU A 1 15 ? 20.867 28.765 9.405 1.00 10.83 ? 15 LEU A CD1 1
538
+ ATOM 118 C CD2 . LEU A 1 15 ? 20.547 26.355 9.894 1.00 12.08 ? 15 LEU A CD2 1
539
+ ATOM 119 N N . HIS A 1 16 ? 22.528 27.252 5.510 1.00 7.05 ? 16 HIS A N 1
540
+ ATOM 120 C CA . HIS A 1 16 ? 23.956 27.208 5.289 1.00 6.90 ? 16 HIS A CA 1
541
+ ATOM 121 C C . HIS A 1 16 ? 24.462 28.324 4.396 1.00 7.40 ? 16 HIS A C 1
542
+ ATOM 122 O O . HIS A 1 16 ? 25.466 28.961 4.685 1.00 7.68 ? 16 HIS A O 1
543
+ ATOM 123 C CB . HIS A 1 16 ? 24.337 25.839 4.707 1.00 7.77 ? 16 HIS A CB 1
544
+ ATOM 124 C CG . HIS A 1 16 ? 25.796 25.634 4.553 1.00 7.20 ? 16 HIS A CG 1
545
+ ATOM 125 N ND1 . HIS A 1 16 ? 26.604 25.287 5.601 1.00 8.81 ? 16 HIS A ND1 1
546
+ ATOM 126 C CD2 . HIS A 1 16 ? 26.562 25.742 3.454 1.00 7.43 ? 16 HIS A CD2 1
547
+ ATOM 127 C CE1 . HIS A 1 16 ? 27.829 25.170 5.135 1.00 9.21 ? 16 HIS A CE1 1
548
+ ATOM 128 N NE2 . HIS A 1 16 ? 27.830 25.430 3.842 1.00 8.35 ? 16 HIS A NE2 1
549
+ ATOM 129 N N . VAL A 1 17 ? 23.747 28.559 3.263 1.00 7.52 ? 17 VAL A N 1
550
+ ATOM 130 C CA . VAL A 1 17 ? 24.263 29.499 2.277 1.00 8.09 ? 17 VAL A CA 1
551
+ ATOM 131 C C . VAL A 1 17 ? 23.843 30.961 2.509 1.00 8.47 ? 17 VAL A C 1
552
+ ATOM 132 O O . VAL A 1 17 ? 24.298 31.837 1.788 1.00 9.14 ? 17 VAL A O 1
553
+ ATOM 133 C CB . VAL A 1 17 ? 23.925 29.116 0.814 1.00 8.47 ? 17 VAL A CB 1
554
+ ATOM 134 C CG1 . VAL A 1 17 ? 24.475 27.706 0.506 1.00 9.04 ? 17 VAL A CG1 1
555
+ ATOM 135 C CG2 . VAL A 1 17 ? 22.426 29.183 0.525 1.00 9.70 ? 17 VAL A CG2 1
556
+ ATOM 136 N N . ALA A 1 18 ? 23.037 31.202 3.534 1.00 9.45 ? 18 ALA A N 1
557
+ ATOM 137 C CA . ALA A 1 18 ? 22.446 32.535 3.735 1.00 10.01 ? 18 ALA A CA 1
558
+ ATOM 138 C C . ALA A 1 18 ? 23.488 33.648 3.917 1.00 10.46 ? 18 ALA A C 1
559
+ ATOM 139 O O . ALA A 1 18 ? 23.254 34.800 3.546 1.00 12.41 ? 18 ALA A O 1
560
+ ATOM 140 C CB . ALA A 1 18 ? 21.495 32.470 4.926 1.00 11.61 ? 18 ALA A CB 1
561
+ ATOM 141 N N . GLN A 1 19 ? 24.603 33.337 4.572 1.00 12.13 ? 19 GLN A N 1
562
+ ATOM 142 C CA . GLN A 1 19 ? 25.634 34.328 4.841 1.00 14.45 ? 19 GLN A CA 1
563
+ ATOM 143 C C . GLN A 1 19 ? 26.974 33.781 4.412 1.00 12.18 ? 19 GLN A C 1
564
+ ATOM 144 O O . GLN A 1 19 ? 27.237 32.575 4.551 1.00 13.27 ? 19 GLN A O 1
565
+ ATOM 145 C CB . GLN A 1 19 ? 25.660 34.702 6.327 1.00 19.32 ? 19 GLN A CB 1
566
+ ATOM 146 N N . GLY A 1 20 ? 27.814 34.651 3.861 1.00 12.15 ? 20 GLY A N 1
567
+ ATOM 147 C CA . GLY A 1 20 ? 29.165 34.314 3.500 1.00 11.38 ? 20 GLY A CA 1
568
+ ATOM 148 C C . GLY A 1 20 ? 29.263 33.743 2.105 1.00 9.51 ? 20 GLY A C 1
569
+ ATOM 149 O O . GLY A 1 20 ? 28.316 33.849 1.317 1.00 10.80 ? 20 GLY A O 1
570
+ ATOM 150 N N . ASP A 1 21 ? 30.425 33.210 1.792 1.00 8.51 ? 21 ASP A N 1
571
+ ATOM 151 C CA . ASP A 1 21 ? 30.727 32.676 0.507 1.00 8.05 ? 21 ASP A CA 1
572
+ ATOM 152 C C . ASP A 1 21 ? 30.823 31.161 0.589 1.00 6.82 ? 21 ASP A C 1
573
+ ATOM 153 O O . ASP A 1 21 ? 31.306 30.605 1.577 1.00 7.19 ? 21 ASP A O 1
574
+ ATOM 154 C CB . ASP A 1 21 ? 32.023 33.269 -0.030 1.00 8.71 ? 21 ASP A CB 1
575
+ ATOM 155 C CG . ASP A 1 21 ? 31.831 34.701 -0.520 1.00 10.04 ? 21 ASP A CG 1
576
+ ATOM 156 O OD1 . ASP A 1 21 ? 31.763 35.627 0.330 1.00 12.33 ? 21 ASP A OD1 1
577
+ ATOM 157 O OD2 . ASP A 1 21 ? 31.713 34.898 -1.742 1.00 11.00 ? 21 ASP A OD2 1
578
+ ATOM 158 N N . HIS A 1 22 ? 30.395 30.507 -0.485 1.00 6.77 ? 22 HIS A N 1
579
+ ATOM 159 C CA . HIS A 1 22 ? 30.218 29.066 -0.535 1.00 6.05 ? 22 HIS A CA 1
580
+ ATOM 160 C C . HIS A 1 22 ? 30.546 28.563 -1.904 1.00 5.94 ? 22 HIS A C 1
581
+ ATOM 161 O O . HIS A 1 22 ? 30.143 29.136 -2.908 1.00 6.62 ? 22 HIS A O 1
582
+ ATOM 162 C CB . HIS A 1 22 ? 28.750 28.741 -0.262 1.00 6.87 ? 22 HIS A CB 1
583
+ ATOM 163 C CG . HIS A 1 22 ? 28.322 29.195 1.069 1.00 7.25 ? 22 HIS A CG 1
584
+ ATOM 164 N ND1 . HIS A 1 22 ? 28.515 28.417 2.186 1.00 7.61 ? 22 HIS A ND1 1
585
+ ATOM 165 C CD2 . HIS A 1 22 ? 27.864 30.406 1.479 1.00 7.86 ? 22 HIS A CD2 1
586
+ ATOM 166 C CE1 . HIS A 1 22 ? 28.169 29.134 3.234 1.00 9.04 ? 22 HIS A CE1 1
587
+ ATOM 167 N NE2 . HIS A 1 22 ? 27.772 30.345 2.843 1.00 8.89 ? 22 HIS A NE2 1
588
+ ATOM 168 N N . PHE A 1 23 ? 31.260 27.428 -1.950 1.00 5.44 ? 23 PHE A N 1
589
+ ATOM 169 C CA . PHE A 1 23 ? 31.563 26.757 -3.195 1.00 5.08 ? 23 PHE A CA 1
590
+ ATOM 170 C C . PHE A 1 23 ? 31.054 25.332 -3.027 1.00 4.39 ? 23 PHE A C 1
591
+ ATOM 171 O O . PHE A 1 23 ? 31.520 24.638 -2.115 1.00 4.77 ? 23 PHE A O 1
592
+ ATOM 172 C CB . PHE A 1 23 ? 33.047 26.852 -3.514 1.00 5.76 ? 23 PHE A CB 1
593
+ ATOM 173 C CG . PHE A 1 23 ? 33.477 26.427 -4.896 1.00 5.66 ? 23 PHE A CG 1
594
+ ATOM 174 C CD1 . PHE A 1 23 ? 32.628 26.425 -5.986 1.00 6.05 ? 23 PHE A CD1 1
595
+ ATOM 175 C CD2 . PHE A 1 23 ? 34.809 26.095 -5.111 1.00 5.98 ? 23 PHE A CD2 1
596
+ ATOM 176 C CE1 . PHE A 1 23 ? 33.101 26.084 -7.253 1.00 6.23 ? 23 PHE A CE1 1
597
+ ATOM 177 C CE2 . PHE A 1 23 ? 35.262 25.739 -6.352 1.00 7.11 ? 23 PHE A CE2 1
598
+ ATOM 178 C CZ . PHE A 1 23 ? 34.425 25.732 -7.428 1.00 6.83 ? 23 PHE A CZ 1
599
+ ATOM 179 N N . ILE A 1 24 ? 30.061 24.920 -3.829 1.00 4.20 ? 24 ILE A N 1
600
+ ATOM 180 C CA . ILE A 1 24 ? 29.289 23.727 -3.587 1.00 3.79 ? 24 ILE A CA 1
601
+ ATOM 181 C C . ILE A 1 24 ? 29.281 22.825 -4.803 1.00 3.91 ? 24 ILE A C 1
602
+ ATOM 182 O O . ILE A 1 24 ? 28.976 23.264 -5.920 1.00 4.40 ? 24 ILE A O 1
603
+ ATOM 183 C CB . ILE A 1 24 ? 27.870 24.059 -3.129 1.00 4.64 ? 24 ILE A CB 1
604
+ ATOM 184 C CG1 . ILE A 1 24 ? 27.938 24.937 -1.851 1.00 6.63 ? 24 ILE A CG1 1
605
+ ATOM 185 C CG2 . ILE A 1 24 ? 27.045 22.797 -2.915 1.00 4.75 ? 24 ILE A CG2 1
606
+ ATOM 186 C CD1 . ILE A 1 24 ? 26.596 25.536 -1.453 1.00 7.03 ? 24 ILE A CD1 1
607
+ ATOM 187 N N . LYS A 1 25 ? 29.611 21.557 -4.579 1.00 3.76 ? 25 LYS A N 1
608
+ ATOM 188 C CA . LYS A 1 25 ? 29.602 20.508 -5.594 1.00 3.88 ? 25 LYS A CA 1
609
+ ATOM 189 C C . LYS A 1 25 ? 28.272 19.768 -5.580 1.00 3.73 ? 25 LYS A C 1
610
+ ATOM 190 O O . LYS A 1 25 ? 27.975 19.051 -4.607 1.00 4.51 ? 25 LYS A O 1
611
+ ATOM 191 C CB . LYS A 1 25 ? 30.745 19.534 -5.298 1.00 4.60 ? 25 LYS A CB 1
612
+ ATOM 192 C CG . LYS A 1 25 ? 30.805 18.331 -6.218 1.00 5.43 ? 25 LYS A CG 1
613
+ ATOM 193 C CD . LYS A 1 25 ? 31.843 17.295 -5.774 1.00 6.52 ? 25 LYS A CD 1
614
+ ATOM 194 C CE . LYS A 1 25 ? 31.356 16.557 -4.475 1.00 6.68 ? 25 LYS A CE 1
615
+ ATOM 195 N NZ . LYS A 1 25 ? 32.116 15.300 -4.186 1.00 8.20 ? 25 LYS A NZ 1
616
+ ATOM 196 N N . PHE A 1 26 ? 27.495 19.909 -6.643 1.00 3.68 ? 26 PHE A N 1
617
+ ATOM 197 C CA . PHE A 1 26 ? 26.268 19.182 -6.842 1.00 3.91 ? 26 PHE A CA 1
618
+ ATOM 198 C C . PHE A 1 26 ? 26.623 17.954 -7.687 1.00 4.55 ? 26 PHE A C 1
619
+ ATOM 199 O O . PHE A 1 26 ? 27.146 18.081 -8.803 1.00 5.27 ? 26 PHE A O 1
620
+ ATOM 200 C CB . PHE A 1 26 ? 25.218 20.045 -7.553 1.00 4.46 ? 26 PHE A CB 1
621
+ ATOM 201 C CG . PHE A 1 26 ? 24.733 21.212 -6.702 1.00 4.51 ? 26 PHE A CG 1
622
+ ATOM 202 C CD1 . PHE A 1 26 ? 25.490 22.352 -6.563 1.00 4.78 ? 26 PHE A CD1 1
623
+ ATOM 203 C CD2 . PHE A 1 26 ? 23.497 21.121 -6.075 1.00 5.38 ? 26 PHE A CD2 1
624
+ ATOM 204 C CE1 . PHE A 1 26 ? 25.044 23.409 -5.772 1.00 5.87 ? 26 PHE A CE1 1
625
+ ATOM 205 C CE2 . PHE A 1 26 ? 23.034 22.201 -5.301 1.00 6.10 ? 26 PHE A CE2 1
626
+ ATOM 206 C CZ . PHE A 1 26 ? 23.797 23.324 -5.167 1.00 6.13 ? 26 PHE A CZ 1
627
+ ATOM 207 N N . PHE A 1 27 ? 26.398 16.762 -7.129 1.00 5.11 ? 27 PHE A N 1
628
+ ATOM 208 C CA . PHE A 1 27 ? 26.969 15.549 -7.695 1.00 5.82 ? 27 PHE A CA 1
629
+ ATOM 209 C C . PHE A 1 27 ? 26.000 14.396 -7.629 1.00 4.96 ? 27 PHE A C 1
630
+ ATOM 210 O O . PHE A 1 27 ? 24.956 14.459 -6.981 1.00 5.32 ? 27 PHE A O 1
631
+ ATOM 211 C CB . PHE A 1 27 ? 28.294 15.169 -6.955 1.00 7.06 ? 27 PHE A CB 1
632
+ ATOM 212 C CG . PHE A 1 27 ? 28.095 14.619 -5.577 1.00 6.94 ? 27 PHE A CG 1
633
+ ATOM 213 C CD1 . PHE A 1 27 ? 27.862 15.441 -4.508 1.00 6.74 ? 27 PHE A CD1 1
634
+ ATOM 214 C CD2 . PHE A 1 27 ? 28.135 13.243 -5.348 1.00 9.75 ? 27 PHE A CD2 1
635
+ ATOM 215 C CE1 . PHE A 1 27 ? 27.632 14.935 -3.230 1.00 7.61 ? 27 PHE A CE1 1
636
+ ATOM 216 C CE2 . PHE A 1 27 ? 27.912 12.734 -4.056 1.00 11.45 ? 27 PHE A CE2 1
637
+ ATOM 217 C CZ . PHE A 1 27 ? 27.665 13.600 -3.001 1.00 9.71 ? 27 PHE A CZ 1
638
+ ATOM 218 N N . ALA A 1 28 ? 26.366 13.292 -8.296 1.00 6.22 ? 28 ALA A N 1
639
+ ATOM 219 C CA . ALA A 1 28 ? 25.711 12.023 -8.135 1.00 6.79 ? 28 ALA A CA 1
640
+ ATOM 220 C C . ALA A 1 28 ? 26.818 10.994 -8.029 1.00 8.39 ? 28 ALA A C 1
641
+ ATOM 221 O O . ALA A 1 28 ? 27.757 11.013 -8.812 1.00 9.65 ? 28 ALA A O 1
642
+ ATOM 222 C CB . ALA A 1 28 ? 24.802 11.699 -9.272 1.00 8.37 ? 28 ALA A CB 1
643
+ ATOM 223 N N . PRO A 1 29 ? 26.705 10.028 -7.087 1.00 9.94 ? 29 PRO A N 1
644
+ ATOM 224 C CA . PRO A 1 29 ? 27.797 9.042 -6.926 1.00 13.61 ? 29 PRO A CA 1
645
+ ATOM 225 C C . PRO A 1 29 ? 28.008 8.134 -8.135 1.00 12.86 ? 29 PRO A C 1
646
+ ATOM 226 O O . PRO A 1 29 ? 29.101 7.603 -8.346 1.00 16.74 ? 29 PRO A O 1
647
+ ATOM 227 C CB . PRO A 1 29 ? 27.352 8.214 -5.711 1.00 17.55 ? 29 PRO A CB 1
648
+ ATOM 228 C CG . PRO A 1 29 ? 26.426 9.080 -4.961 1.00 17.90 ? 29 PRO A CG 1
649
+ ATOM 229 C CD . PRO A 1 29 ? 25.710 9.926 -5.993 1.00 11.77 ? 29 PRO A CD 1
650
+ ATOM 230 N N . TRP A 1 30 ? 26.973 7.962 -8.949 1.00 10.89 ? 30 TRP A N 1
651
+ ATOM 231 C CA . TRP A 1 30 ? 27.043 7.069 -10.089 1.00 11.45 ? 30 TRP A CA 1
652
+ ATOM 232 C C . TRP A 1 30 ? 27.745 7.654 -11.299 1.00 10.67 ? 30 TRP A C 1
653
+ ATOM 233 O O . TRP A 1 30 ? 28.021 6.952 -12.274 1.00 12.92 ? 30 TRP A O 1
654
+ ATOM 234 C CB . TRP A 1 30 ? 25.639 6.645 -10.495 1.00 11.18 ? 30 TRP A CB 1
655
+ ATOM 235 C CG . TRP A 1 30 ? 24.643 7.740 -10.700 1.00 10.45 ? 30 TRP A CG 1
656
+ ATOM 236 C CD1 . TRP A 1 30 ? 23.650 8.108 -9.846 1.00 10.54 ? 30 TRP A CD1 1
657
+ ATOM 237 C CD2 . TRP A 1 30 ? 24.503 8.598 -11.856 1.00 10.59 ? 30 TRP A CD2 1
658
+ ATOM 238 N NE1 . TRP A 1 30 ? 22.911 9.132 -10.386 1.00 10.78 ? 30 TRP A NE1 1
659
+ ATOM 239 C CE2 . TRP A 1 30 ? 23.416 9.453 -11.613 1.00 10.30 ? 30 TRP A CE2 1
660
+ ATOM 240 C CE3 . TRP A 1 30 ? 25.180 8.705 -13.076 1.00 11.52 ? 30 TRP A CE3 1
661
+ ATOM 241 C CZ2 . TRP A 1 30 ? 22.994 10.405 -12.535 1.00 11.98 ? 30 TRP A CZ2 1
662
+ ATOM 242 C CZ3 . TRP A 1 30 ? 24.769 9.667 -13.991 1.00 11.82 ? 30 TRP A CZ3 1
663
+ ATOM 243 C CH2 . TRP A 1 30 ? 23.683 10.499 -13.717 1.00 12.12 ? 30 TRP A CH2 1
664
+ ATOM 244 N N . CYS A 1 31 ? 28.033 8.951 -11.254 1.00 8.95 ? 31 CYS A N 1
665
+ ATOM 245 C CA . CYS A 1 31 ? 28.581 9.660 -12.404 1.00 8.93 ? 31 CYS A CA 1
666
+ ATOM 246 C C . CYS A 1 31 ? 30.093 9.711 -12.342 1.00 8.66 ? 31 CYS A C 1
667
+ ATOM 247 O O . CYS A 1 31 ? 30.655 10.286 -11.423 1.00 8.70 ? 31 CYS A O 1
668
+ ATOM 248 C CB . CYS A 1 31 ? 28.005 11.067 -12.420 1.00 8.91 ? 31 CYS A CB 1
669
+ ATOM 249 S SG . CYS A 1 31 ? 28.787 12.164 -13.627 1.00 9.59 ? 31 CYS A SG 1
670
+ ATOM 250 N N . GLY A 1 32 ? 30.763 9.142 -13.353 1.00 8.08 ? 32 GLY A N 1
671
+ ATOM 251 C CA . GLY A 1 32 ? 32.207 9.101 -13.348 1.00 8.22 ? 32 GLY A CA 1
672
+ ATOM 252 C C . GLY A 1 32 ? 32.872 10.466 -13.283 1.00 7.62 ? 32 GLY A C 1
673
+ ATOM 253 O O . GLY A 1 32 ? 33.843 10.658 -12.548 1.00 8.97 ? 32 GLY A O 1
674
+ ATOM 254 N N . HIS A 1 33 ? 32.337 11.448 -14.029 1.00 7.67 ? 33 HIS A N 1
675
+ ATOM 255 C CA . HIS A 1 33 ? 32.900 12.795 -13.974 1.00 7.81 ? 33 HIS A CA 1
676
+ ATOM 256 C C . HIS A 1 33 ? 32.867 13.335 -12.540 1.00 8.35 ? 33 HIS A C 1
677
+ ATOM 257 O O . HIS A 1 33 ? 33.773 14.029 -12.089 1.00 9.70 ? 33 HIS A O 1
678
+ ATOM 258 C CB . HIS A 1 33 ? 32.146 13.750 -14.892 1.00 8.19 ? 33 HIS A CB 1
679
+ ATOM 259 C CG . HIS A 1 33 ? 32.316 13.408 -16.329 1.00 9.00 ? 33 HIS A CG 1
680
+ ATOM 260 N ND1 . HIS A 1 33 ? 33.543 13.483 -16.941 1.00 10.69 ? 33 HIS A ND1 1
681
+ ATOM 261 C CD2 . HIS A 1 33 ? 31.441 12.952 -17.252 1.00 12.26 ? 33 HIS A CD2 1
682
+ ATOM 262 C CE1 . HIS A 1 33 ? 33.413 13.095 -18.198 1.00 12.29 ? 33 HIS A CE1 1
683
+ ATOM 263 N NE2 . HIS A 1 33 ? 32.151 12.760 -18.413 1.00 13.11 ? 33 HIS A NE2 1
684
+ ATOM 264 N N . ALA A 1 34 ? 31.777 13.041 -11.844 1.00 7.80 ? 34 ALA A N 1
685
+ ATOM 265 C CA . ALA A 1 34 ? 31.644 13.518 -10.458 1.00 9.05 ? 34 ALA A CA 1
686
+ ATOM 266 C C . ALA A 1 34 ? 32.553 12.748 -9.511 1.00 8.99 ? 34 ALA A C 1
687
+ ATOM 267 O O . ALA A 1 34 ? 33.255 13.325 -8.688 1.00 10.53 ? 34 ALA A O 1
688
+ ATOM 268 C CB . ALA A 1 34 ? 30.198 13.440 -9.998 1.00 10.90 ? 34 ALA A CB 1
689
+ ATOM 269 N N . LYS A 1 35 ? 32.575 11.428 -9.643 1.00 9.50 ? 35 LYS A N 1
690
+ ATOM 270 C CA . LYS A 1 35 ? 33.402 10.606 -8.767 1.00 10.95 ? 35 LYS A CA 1
691
+ ATOM 271 C C . LYS A 1 35 ? 34.886 10.952 -8.922 1.00 8.73 ? 35 LYS A C 1
692
+ ATOM 272 O O . LYS A 1 35 ? 35.629 10.967 -7.939 1.00 9.65 ? 35 LYS A O 1
693
+ ATOM 273 C CB . LYS A 1 35 ? 33.130 9.132 -9.016 1.00 13.58 ? 35 LYS A CB 1
694
+ ATOM 274 C CG . LYS A 1 35 ? 33.789 8.223 -8.024 1.00 18.83 ? 35 LYS A CG 1
695
+ ATOM 275 C CD . LYS A 1 35 ? 33.376 8.465 -6.588 1.00 23.31 ? 35 LYS A CD 1
696
+ ATOM 276 C CE . LYS A 1 35 ? 34.096 7.481 -5.674 1.00 25.27 ? 35 LYS A CE 1
697
+ ATOM 277 N NZ . LYS A 1 35 ? 33.841 7.734 -4.220 1.00 27.12 ? 35 LYS A NZ 1
698
+ ATOM 278 N N . ALA A 1 36 ? 35.312 11.206 -10.163 1.00 7.27 ? 36 ALA A N 1
699
+ ATOM 279 C CA . ALA A 1 36 ? 36.721 11.551 -10.377 1.00 7.36 ? 36 ALA A CA 1
700
+ ATOM 280 C C . ALA A 1 36 ? 37.143 12.812 -9.662 1.00 6.79 ? 36 ALA A C 1
701
+ ATOM 281 O O . ALA A 1 36 ? 38.294 12.962 -9.294 1.00 8.47 ? 36 ALA A O 1
702
+ ATOM 282 C CB . ALA A 1 36 ? 37.003 11.666 -11.863 1.00 8.14 ? 36 ALA A CB 1
703
+ ATOM 283 N N . LEU A 1 37 ? 36.206 13.741 -9.474 1.00 6.20 ? 37 LEU A N 1
704
+ ATOM 284 C CA . LEU A 1 37 ? 36.482 14.998 -8.784 1.00 5.71 ? 37 LEU A CA 1
705
+ ATOM 285 C C . LEU A 1 37 ? 36.536 14.831 -7.253 1.00 5.57 ? 37 LEU A C 1
706
+ ATOM 286 O O . LEU A 1 37 ? 37.101 15.669 -6.578 1.00 6.25 ? 37 LEU A O 1
707
+ ATOM 287 C CB . LEU A 1 37 ? 35.347 15.972 -9.149 1.00 6.41 ? 37 LEU A CB 1
708
+ ATOM 288 C CG . LEU A 1 37 ? 35.321 17.307 -8.409 1.00 6.40 ? 37 LEU A CG 1
709
+ ATOM 289 C CD1 . LEU A 1 37 ? 36.543 18.157 -8.627 1.00 7.67 ? 37 LEU A CD1 1
710
+ ATOM 290 C CD2 . LEU A 1 37 ? 34.063 18.094 -8.799 1.00 7.31 ? 37 LEU A CD2 1
711
+ ATOM 291 N N . ALA A 1 38 ? 35.909 13.782 -6.731 1.00 6.37 ? 38 ALA A N 1
712
+ ATOM 292 C CA . ALA A 1 38 ? 35.703 13.725 -5.272 1.00 6.84 ? 38 ALA A CA 1
713
+ ATOM 293 C C . ALA A 1 38 ? 36.995 13.879 -4.450 1.00 6.36 ? 38 ALA A C 1
714
+ ATOM 294 O O . ALA A 1 38 ? 36.979 14.660 -3.488 1.00 6.56 ? 38 ALA A O 1
715
+ ATOM 295 C CB . ALA A 1 38 ? 34.922 12.529 -4.896 1.00 7.97 ? 38 ALA A CB 1
716
+ ATOM 296 N N . PRO A 1 39 ? 38.092 13.188 -4.774 1.00 6.86 ? 39 PRO A N 1
717
+ ATOM 297 C CA . PRO A 1 39 ? 39.286 13.357 -3.946 1.00 7.94 ? 39 PRO A CA 1
718
+ ATOM 298 C C . PRO A 1 39 ? 39.845 14.782 -3.969 1.00 7.06 ? 39 PRO A C 1
719
+ ATOM 299 O O . PRO A 1 39 ? 40.271 15.307 -2.940 1.00 7.18 ? 39 PRO A O 1
720
+ ATOM 300 C CB . PRO A 1 39 ? 40.278 12.312 -4.523 1.00 9.98 ? 39 PRO A CB 1
721
+ ATOM 301 C CG . PRO A 1 39 ? 39.431 11.311 -5.162 1.00 11.36 ? 39 PRO A CG 1
722
+ ATOM 302 C CD . PRO A 1 39 ? 38.250 12.088 -5.742 1.00 8.15 ? 39 PRO A CD 1
723
+ ATOM 303 N N . THR A 1 40 ? 39.806 15.422 -5.142 1.00 6.56 ? 40 THR A N 1
724
+ ATOM 304 C CA . THR A 1 40 ? 40.277 16.783 -5.254 1.00 6.70 ? 40 THR A CA 1
725
+ ATOM 305 C C . THR A 1 40 ? 39.393 17.736 -4.461 1.00 6.05 ? 40 THR A C 1
726
+ ATOM 306 O O . THR A 1 40 ? 39.877 18.649 -3.819 1.00 6.01 ? 40 THR A O 1
727
+ ATOM 307 C CB . THR A 1 40 ? 40.331 17.198 -6.750 1.00 7.56 ? 40 THR A CB 1
728
+ ATOM 308 O OG1 . THR A 1 40 ? 41.270 16.372 -7.432 1.00 10.40 ? 40 THR A OG1 1
729
+ ATOM 309 C CG2 . THR A 1 40 ? 40.760 18.592 -6.921 1.00 8.30 ? 40 THR A CG2 1
730
+ ATOM 310 N N . TRP A 1 41 ? 38.074 17.521 -4.538 1.00 5.34 ? 41 TRP A N 1
731
+ ATOM 311 C CA . TRP A 1 41 ? 37.153 18.371 -3.786 1.00 4.73 ? 41 TRP A CA 1
732
+ ATOM 312 C C . TRP A 1 41 ? 37.397 18.232 -2.275 1.00 4.82 ? 41 TRP A C 1
733
+ ATOM 313 O O . TRP A 1 41 ? 37.348 19.203 -1.545 1.00 4.92 ? 41 TRP A O 1
734
+ ATOM 314 C CB . TRP A 1 41 ? 35.695 17.972 -4.168 1.00 4.89 ? 41 TRP A CB 1
735
+ ATOM 315 C CG . TRP A 1 41 ? 34.697 19.002 -3.769 1.00 4.62 ? 41 TRP A CG 1
736
+ ATOM 316 C CD1 . TRP A 1 41 ? 33.810 18.954 -2.730 1.00 4.30 ? 41 TRP A CD1 1
737
+ ATOM 317 C CD2 . TRP A 1 41 ? 34.497 20.248 -4.427 1.00 4.46 ? 41 TRP A CD2 1
738
+ ATOM 318 N NE1 . TRP A 1 41 ? 33.078 20.114 -2.692 1.00 4.60 ? 41 TRP A NE1 1
739
+ ATOM 319 C CE2 . TRP A 1 41 ? 33.493 20.923 -3.715 1.00 4.72 ? 41 TRP A CE2 1
740
+ ATOM 320 C CE3 . TRP A 1 41 ? 35.077 20.863 -5.557 1.00 5.61 ? 41 TRP A CE3 1
741
+ ATOM 321 C CZ2 . TRP A 1 41 ? 33.032 22.194 -4.086 1.00 5.58 ? 41 TRP A CZ2 1
742
+ ATOM 322 C CZ3 . TRP A 1 41 ? 34.591 22.095 -5.938 1.00 6.25 ? 41 TRP A CZ3 1
743
+ ATOM 323 C CH2 . TRP A 1 41 ? 33.586 22.734 -5.229 1.00 6.11 ? 41 TRP A CH2 1
744
+ ATOM 324 N N . GLU A 1 42 ? 37.694 17.011 -1.820 1.00 5.26 ? 42 GLU A N 1
745
+ ATOM 325 C CA . GLU A 1 42 ? 38.086 16.807 -0.438 1.00 5.51 ? 42 GLU A CA 1
746
+ ATOM 326 C C . GLU A 1 42 ? 39.356 17.564 -0.094 1.00 5.29 ? 42 GLU A C 1
747
+ ATOM 327 O O . GLU A 1 42 ? 39.446 18.137 1.010 1.00 5.81 ? 42 GLU A O 1
748
+ ATOM 328 C CB . GLU A 1 42 ? 38.232 15.312 -0.105 1.00 6.75 ? 42 GLU A CB 1
749
+ ATOM 329 C CG . GLU A 1 42 ? 36.919 14.572 -0.071 1.00 9.63 ? 42 GLU A CG 1
750
+ ATOM 330 C CD . GLU A 1 42 ? 37.048 13.054 -0.142 1.00 20.02 ? 42 GLU A CD 1
751
+ ATOM 331 O OE1 . GLU A 1 42 ? 38.152 12.554 0.090 1.00 24.17 ? 42 GLU A OE1 1
752
+ ATOM 332 O OE2 . GLU A 1 42 ? 36.049 12.357 -0.438 1.00 23.83 ? 42 GLU A OE2 1
753
+ ATOM 333 N N . GLN A 1 43 ? 40.346 17.573 -0.976 1.00 5.64 ? 43 GLN A N 1
754
+ ATOM 334 C CA . GLN A 1 43 ? 41.566 18.338 -0.732 1.00 5.94 ? 43 GLN A CA 1
755
+ ATOM 335 C C . GLN A 1 43 ? 41.286 19.838 -0.644 1.00 5.91 ? 43 GLN A C 1
756
+ ATOM 336 O O . GLN A 1 43 ? 41.900 20.550 0.138 1.00 6.38 ? 43 GLN A O 1
757
+ ATOM 337 C CB . GLN A 1 43 ? 42.627 18.123 -1.812 1.00 7.55 ? 43 GLN A CB 1
758
+ ATOM 338 C CG . GLN A 1 43 ? 43.243 16.731 -1.876 1.00 9.14 ? 43 GLN A CG 1
759
+ ATOM 339 C CD . GLN A 1 43 ? 44.100 16.536 -3.143 1.00 11.29 ? 43 GLN A CD 1
760
+ ATOM 340 O OE1 . GLN A 1 43 ? 45.098 15.828 -3.077 1.00 15.09 ? 43 GLN A OE1 1
761
+ ATOM 341 N NE2 . GLN A 1 43 ? 43.760 17.175 -4.235 1.00 10.47 ? 43 GLN A NE2 1
762
+ ATOM 342 N N . LEU A 1 44 ? 40.387 20.318 -1.512 1.00 5.61 ? 44 LEU A N 1
763
+ ATOM 343 C CA . LEU A 1 44 ? 40.020 21.720 -1.504 1.00 5.42 ? 44 LEU A CA 1
764
+ ATOM 344 C C . LEU A 1 44 ? 39.412 22.098 -0.146 1.00 5.07 ? 44 LEU A C 1
765
+ ATOM 345 O O . LEU A 1 44 ? 39.799 23.083 0.498 1.00 6.13 ? 44 LEU A O 1
766
+ ATOM 346 C CB . LEU A 1 44 ? 39.053 21.996 -2.644 1.00 5.77 ? 44 LEU A CB 1
767
+ ATOM 347 C CG . LEU A 1 44 ? 38.610 23.459 -2.779 1.00 6.37 ? 44 LEU A CG 1
768
+ ATOM 348 C CD1 . LEU A 1 44 ? 39.730 24.343 -3.212 1.00 8.27 ? 44 LEU A CD1 1
769
+ ATOM 349 C CD2 . LEU A 1 44 ? 37.434 23.522 -3.786 1.00 6.43 ? 44 LEU A CD2 1
770
+ ATOM 350 N N . ALA A 1 45 ? 38.454 21.295 0.294 1.00 5.05 ? 45 ALA A N 1
771
+ ATOM 351 C CA . ALA A 1 45 ? 37.822 21.515 1.608 1.00 4.69 ? 45 ALA A CA 1
772
+ ATOM 352 C C . ALA A 1 45 ? 38.842 21.426 2.743 1.00 5.09 ? 45 ALA A C 1
773
+ ATOM 353 O O . ALA A 1 45 ? 38.784 22.205 3.687 1.00 5.17 ? 45 ALA A O 1
774
+ ATOM 354 C CB . ALA A 1 45 ? 36.721 20.515 1.796 1.00 4.88 ? 45 ALA A CB 1
775
+ ATOM 355 N N . LEU A 1 46 ? 39.746 20.440 2.666 1.00 4.93 ? 46 LEU A N 1
776
+ ATOM 356 C CA . LEU A 1 46 ? 40.750 20.272 3.718 1.00 5.55 ? 46 LEU A CA 1
777
+ ATOM 357 C C . LEU A 1 46 ? 41.579 21.511 3.898 1.00 6.12 ? 46 LEU A C 1
778
+ ATOM 358 O O . LEU A 1 46 ? 41.824 21.955 5.037 1.00 6.89 ? 46 LEU A O 1
779
+ ATOM 359 C CB . LEU A 1 46 ? 41.638 19.084 3.358 1.00 6.22 ? 46 LEU A CB 1
780
+ ATOM 360 C CG . LEU A 1 46 ? 42.753 18.769 4.328 1.00 6.74 ? 46 LEU A CG 1
781
+ ATOM 361 C CD1 . LEU A 1 46 ? 42.194 18.253 5.630 1.00 7.42 ? 46 LEU A CD1 1
782
+ ATOM 362 C CD2 . LEU A 1 46 ? 43.715 17.753 3.708 1.00 8.71 ? 46 LEU A CD2 1
783
+ ATOM 363 N N . GLY A 1 47 ? 42.030 22.098 2.777 1.00 6.85 ? 47 GLY A N 1
784
+ ATOM 364 C CA . GLY A 1 47 ? 42.860 23.285 2.844 1.00 8.44 ? 47 GLY A CA 1
785
+ ATOM 365 C C . GLY A 1 47 ? 42.146 24.515 3.384 1.00 8.81 ? 47 GLY A C 1
786
+ ATOM 366 O O . GLY A 1 47 ? 42.788 25.482 3.813 1.00 12.61 ? 47 GLY A O 1
787
+ ATOM 367 N N . LEU A 1 48 ? 40.812 24.483 3.340 1.00 7.07 ? 48 LEU A N 1
788
+ ATOM 368 C CA . LEU A 1 48 ? 39.996 25.586 3.789 1.00 6.93 ? 48 LEU A CA 1
789
+ ATOM 369 C C . LEU A 1 48 ? 39.228 25.257 5.064 1.00 6.72 ? 48 LEU A C 1
790
+ ATOM 370 O O . LEU A 1 48 ? 38.332 25.998 5.470 1.00 7.54 ? 48 LEU A O 1
791
+ ATOM 371 C CB . LEU A 1 48 ? 39.022 25.991 2.647 1.00 7.49 ? 48 LEU A CB 1
792
+ ATOM 372 C CG . LEU A 1 48 ? 39.762 26.628 1.470 1.00 8.14 ? 48 LEU A CG 1
793
+ ATOM 373 C CD1 . LEU A 1 48 ? 38.882 26.605 0.235 1.00 8.75 ? 48 LEU A CD1 1
794
+ ATOM 374 C CD2 . LEU A 1 48 ? 40.207 28.031 1.755 1.00 9.59 ? 48 LEU A CD2 1
795
+ ATOM 375 N N . GLU A 1 49 ? 39.596 24.144 5.749 1.00 6.09 ? 49 GLU A N 1
796
+ ATOM 376 C CA . GLU A 1 49 ? 38.727 23.641 6.789 1.00 6.32 ? 49 GLU A CA 1
797
+ ATOM 377 C C . GLU A 1 49 ? 38.625 24.499 8.019 1.00 6.37 ? 49 GLU A C 1
798
+ ATOM 378 O O . GLU A 1 49 ? 37.724 24.297 8.849 1.00 9.43 ? 49 GLU A O 1
799
+ ATOM 379 C CB . GLU A 1 49 ? 39.095 22.213 7.211 1.00 6.10 ? 49 GLU A CB 1
800
+ ATOM 380 C CG . GLU A 1 49 ? 40.399 22.127 7.988 1.00 5.84 ? 49 GLU A CG 1
801
+ ATOM 381 C CD . GLU A 1 49 ? 40.718 20.726 8.389 1.00 6.51 ? 49 GLU A CD 1
802
+ ATOM 382 O OE1 . GLU A 1 49 ? 39.845 19.869 8.619 1.00 9.72 ? 49 GLU A OE1 1
803
+ ATOM 383 O OE2 . GLU A 1 49 ? 41.957 20.461 8.467 1.00 6.98 ? 49 GLU A OE2 1
804
+ ATOM 384 N N . HIS A 1 50 ? 39.555 25.431 8.187 1.00 6.15 ? 50 HIS A N 1
805
+ ATOM 385 C CA . HIS A 1 50 ? 39.563 26.304 9.359 1.00 7.23 ? 50 HIS A CA 1
806
+ ATOM 386 C C . HIS A 1 50 ? 39.064 27.703 9.026 1.00 7.77 ? 50 HIS A C 1
807
+ ATOM 387 O O . HIS A 1 50 ? 38.986 28.552 9.917 1.00 9.66 ? 50 HIS A O 1
808
+ ATOM 388 C CB . HIS A 1 50 ? 40.966 26.407 9.954 1.00 8.96 ? 50 HIS A CB 1
809
+ ATOM 389 C CG . HIS A 1 50 ? 41.540 25.096 10.305 1.00 11.12 ? 50 HIS A CG 1
810
+ ATOM 390 N ND1 . HIS A 1 50 ? 40.942 24.223 11.188 1.00 14.59 ? 50 HIS A ND1 1
811
+ ATOM 391 C CD2 . HIS A 1 50 ? 42.644 24.479 9.861 1.00 13.28 ? 50 HIS A CD2 1
812
+ ATOM 392 C CE1 . HIS A 1 50 ? 41.666 23.124 11.274 1.00 14.82 ? 50 HIS A CE1 1
813
+ ATOM 393 N NE2 . HIS A 1 50 ? 42.701 23.247 10.467 1.00 13.19 ? 50 HIS A NE2 1
814
+ ATOM 394 N N . SER A 1 51 ? 38.690 27.938 7.775 1.00 8.31 ? 51 SER A N 1
815
+ ATOM 395 C CA . SER A 1 51 ? 38.258 29.257 7.311 1.00 9.25 ? 51 SER A CA 1
816
+ ATOM 396 C C . SER A 1 51 ? 36.753 29.462 7.515 1.00 10.04 ? 51 SER A C 1
817
+ ATOM 397 O O . SER A 1 51 ? 35.950 28.573 7.263 1.00 12.91 ? 51 SER A O 1
818
+ ATOM 398 C CB . SER A 1 51 ? 38.655 29.425 5.839 1.00 10.53 ? 51 SER A CB 1
819
+ ATOM 399 O OG . SER A 1 51 ? 40.096 29.321 5.679 1.00 10.38 ? 51 SER A OG 1
820
+ ATOM 400 N N . GLU A 1 52 ? 36.392 30.661 7.969 1.00 9.38 ? 52 GLU A N 1
821
+ ATOM 401 C CA . GLU A 1 52 ? 34.991 31.075 8.108 0.59 10.66 ? 52 GLU A CA 1
822
+ ATOM 402 C C . GLU A 1 52 ? 34.459 31.738 6.815 1.00 10.99 ? 52 GLU A C 1
823
+ ATOM 403 O O . GLU A 1 52 ? 33.257 31.634 6.432 1.00 13.43 ? 52 GLU A O 1
824
+ ATOM 404 C CB . GLU A 1 52 ? 34.846 32.048 9.284 0.59 13.90 ? 52 GLU A CB 1
825
+ ATOM 405 C CG . GLU A 1 52 ? 35.241 31.427 10.622 0.59 16.70 ? 52 GLU A CG 1
826
+ ATOM 406 C CD . GLU A 1 52 ? 34.224 30.436 11.163 0.59 18.01 ? 52 GLU A CD 1
827
+ ATOM 407 O OE1 . GLU A 1 52 ? 33.134 30.304 10.576 0.59 18.79 ? 52 GLU A OE1 1
828
+ ATOM 408 O OE2 . GLU A 1 52 ? 34.509 29.766 12.182 0.59 20.86 ? 52 GLU A OE2 1
829
+ ATOM 409 N N . THR A 1 53 ? 35.341 32.461 6.152 1.00 8.75 ? 53 THR A N 1
830
+ ATOM 410 C CA . THR A 1 53 ? 34.864 33.305 5.064 1.00 9.05 ? 53 THR A CA 1
831
+ ATOM 411 C C . THR A 1 53 ? 34.480 32.560 3.784 1.00 8.89 ? 53 THR A C 1
832
+ ATOM 412 O O . THR A 1 53 ? 33.822 33.136 2.954 1.00 10.29 ? 53 THR A O 1
833
+ ATOM 413 C CB . THR A 1 53 ? 35.876 34.432 4.714 1.00 8.90 ? 53 THR A CB 1
834
+ ATOM 414 O OG1 . THR A 1 53 ? 37.085 33.902 4.184 1.00 9.64 ? 53 THR A OG1 1
835
+ ATOM 415 C CG2 . THR A 1 53 ? 36.128 35.395 5.882 1.00 9.86 ? 53 THR A CG2 1
836
+ ATOM 416 N N . VAL A 1 54 ? 34.891 31.318 3.644 1.00 9.20 ? 54 VAL A N 1
837
+ ATOM 417 C CA . VAL A 1 54 ? 34.511 30.460 2.505 1.00 9.70 ? 54 VAL A CA 1
838
+ ATOM 418 C C . VAL A 1 54 ? 34.247 29.087 3.116 1.00 9.96 ? 54 VAL A C 1
839
+ ATOM 419 O O . VAL A 1 54 ? 34.964 28.640 4.003 1.00 10.96 ? 54 VAL A O 1
840
+ ATOM 420 C CB . VAL A 1 54 ? 35.533 30.443 1.361 1.00 12.71 ? 54 VAL A CB 1
841
+ ATOM 421 C CG1 . VAL A 1 54 ? 36.849 29.856 1.785 1.00 15.62 ? 54 VAL A CG1 1
842
+ ATOM 422 C CG2 . VAL A 1 54 ? 34.951 29.687 0.164 1.00 15.73 ? 54 VAL A CG2 1
843
+ ATOM 423 N N . LYS A 1 55 ? 33.175 28.441 2.677 1.00 7.63 ? 55 LYS A N 1
844
+ ATOM 424 C CA . LYS A 1 55 ? 32.900 27.067 3.055 0.58 7.10 ? 55 LYS A CA 1
845
+ ATOM 425 C C . LYS A 1 55 ? 32.632 26.224 1.831 1.00 5.85 ? 55 LYS A C 1
846
+ ATOM 426 O O . LYS A 1 55 ? 31.954 26.648 0.894 1.00 5.80 ? 55 LYS A O 1
847
+ ATOM 427 C CB . LYS A 1 55 ? 31.732 27.001 4.001 0.58 8.58 ? 55 LYS A CB 1
848
+ ATOM 428 C CG . LYS A 1 55 ? 32.067 27.746 5.270 0.58 8.84 ? 55 LYS A CG 1
849
+ ATOM 429 C CD . LYS A 1 55 ? 30.901 27.919 6.191 0.58 9.62 ? 55 LYS A CD 1
850
+ ATOM 430 C CE . LYS A 1 55 ? 31.335 28.666 7.435 0.58 12.71 ? 55 LYS A CE 1
851
+ ATOM 431 N NZ . LYS A 1 55 ? 30.133 29.047 8.180 0.58 14.68 ? 55 LYS A NZ 1
852
+ ATOM 432 N N . ILE A 1 56 ? 33.234 25.044 1.855 1.00 6.19 ? 56 ILE A N 1
853
+ ATOM 433 C CA . ILE A 1 56 ? 33.154 24.094 0.777 1.00 5.46 ? 56 ILE A CA 1
854
+ ATOM 434 C C . ILE A 1 56 ? 32.104 23.031 1.100 1.00 4.71 ? 56 ILE A C 1
855
+ ATOM 435 O O . ILE A 1 56 ? 32.162 22.396 2.171 1.00 5.28 ? 56 ILE A O 1
856
+ ATOM 436 C CB . ILE A 1 56 ? 34.536 23.452 0.525 1.00 5.79 ? 56 ILE A CB 1
857
+ ATOM 437 C CG1 . ILE A 1 56 ? 35.633 24.497 0.332 1.00 7.21 ? 56 ILE A CG1 1
858
+ ATOM 438 C CG2 . ILE A 1 56 ? 34.450 22.476 -0.621 1.00 6.12 ? 56 ILE A CG2 1
859
+ ATOM 439 C CD1 . ILE A 1 56 ? 35.377 25.470 -0.828 1.00 7.64 ? 56 ILE A CD1 1
860
+ ATOM 440 N N . GLY A 1 57 ? 31.101 22.888 0.218 1.00 4.60 ? 57 GLY A N 1
861
+ ATOM 441 C CA . GLY A 1 57 ? 30.000 22.006 0.442 1.00 4.58 ? 57 GLY A CA 1
862
+ ATOM 442 C C . GLY A 1 57 ? 29.791 21.019 -0.677 1.00 4.02 ? 57 GLY A C 1
863
+ ATOM 443 O O . GLY A 1 57 ? 30.408 21.114 -1.751 1.00 3.94 ? 57 GLY A O 1
864
+ ATOM 444 N N . LYS A 1 58 ? 28.863 20.103 -0.458 1.00 3.98 ? 58 LYS A N 1
865
+ ATOM 445 C CA . LYS A 1 58 ? 28.405 19.205 -1.514 0.50 5.02 ? 58 LYS A CA 1
866
+ ATOM 446 C C . LYS A 1 58 ? 26.967 18.817 -1.262 1.00 4.21 ? 58 LYS A C 1
867
+ ATOM 447 O O . LYS A 1 58 ? 26.488 18.787 -0.123 1.00 4.98 ? 58 LYS A O 1
868
+ ATOM 448 C CB . LYS A 1 58 ? 29.318 17.997 -1.652 0.50 5.44 ? 58 LYS A CB 1
869
+ ATOM 449 C CG . LYS A 1 58 ? 29.354 17.052 -0.493 0.50 6.88 ? 58 LYS A CG 1
870
+ ATOM 450 C CD . LYS A 1 58 ? 30.415 15.974 -0.755 0.50 9.27 ? 58 LYS A CD 1
871
+ ATOM 451 C CE . LYS A 1 58 ? 30.544 14.987 0.408 0.50 13.73 ? 58 LYS A CE 1
872
+ ATOM 452 N NZ . LYS A 1 58 ? 29.671 13.805 0.258 0.50 16.00 ? 58 LYS A NZ 1
873
+ ATOM 453 N N . VAL A 1 59 ? 26.278 18.548 -2.376 1.00 4.25 ? 59 VAL A N 1
874
+ ATOM 454 C CA . VAL A 1 59 ? 24.885 18.108 -2.374 1.00 4.38 ? 59 VAL A CA 1
875
+ ATOM 455 C C . VAL A 1 59 ? 24.792 16.865 -3.245 1.00 4.45 ? 59 VAL A C 1
876
+ ATOM 456 O O . VAL A 1 59 ? 25.106 16.921 -4.462 1.00 4.50 ? 59 VAL A O 1
877
+ ATOM 457 C CB . VAL A 1 59 ? 23.954 19.175 -2.950 1.00 4.89 ? 59 VAL A CB 1
878
+ ATOM 458 C CG1 . VAL A 1 59 ? 22.547 18.619 -3.079 1.00 6.13 ? 59 VAL A CG1 1
879
+ ATOM 459 C CG2 . VAL A 1 59 ? 23.968 20.428 -2.079 1.00 5.47 ? 59 VAL A CG2 1
880
+ ATOM 460 N N . ASP A 1 60 ? 24.336 15.753 -2.648 1.00 4.65 ? 60 ASP A N 1
881
+ ATOM 461 C CA . ASP A 1 60 ? 24.099 14.512 -3.368 1.00 5.26 ? 60 ASP A CA 1
882
+ ATOM 462 C C . ASP A 1 60 ? 22.712 14.623 -4.020 1.00 5.06 ? 60 ASP A C 1
883
+ ATOM 463 O O . ASP A 1 60 ? 21.669 14.539 -3.352 1.00 5.40 ? 60 ASP A O 1
884
+ ATOM 464 C CB . ASP A 1 60 ? 24.153 13.339 -2.379 1.00 6.61 ? 60 ASP A CB 1
885
+ ATOM 465 C CG . ASP A 1 60 ? 23.971 12.006 -3.045 1.00 7.94 ? 60 ASP A CG 1
886
+ ATOM 466 O OD1 . ASP A 1 60 ? 23.491 11.967 -4.194 1.00 7.68 ? 60 ASP A OD1 1
887
+ ATOM 467 O OD2 . ASP A 1 60 ? 24.334 10.999 -2.410 1.00 11.38 ? 60 ASP A OD2 1
888
+ ATOM 468 N N . CYS A 1 61 ? 22.741 14.814 -5.333 1.00 4.95 ? 61 CYS A N 1
889
+ ATOM 469 C CA . CYS A 1 61 ? 21.505 14.986 -6.119 1.00 5.13 ? 61 CYS A CA 1
890
+ ATOM 470 C C . CYS A 1 61 ? 20.714 13.695 -6.301 1.00 5.70 ? 61 CYS A C 1
891
+ ATOM 471 O O . CYS A 1 61 ? 19.616 13.754 -6.877 1.00 6.96 ? 61 CYS A O 1
892
+ ATOM 472 C CB . CYS A 1 61 ? 21.850 15.648 -7.458 1.00 5.62 ? 61 CYS A CB 1
893
+ ATOM 473 S SG . CYS A 1 61 ? 22.506 17.300 -7.264 1.00 5.37 ? 61 CYS A SG 1
894
+ ATOM 474 N N . THR A 1 62 ? 21.219 12.543 -5.819 1.00 5.98 ? 62 THR A N 1
895
+ ATOM 475 C CA . THR A 1 62 ? 20.392 11.363 -5.725 1.00 7.21 ? 62 THR A CA 1
896
+ ATOM 476 C C . THR A 1 62 ? 19.536 11.346 -4.454 1.00 7.70 ? 62 THR A C 1
897
+ ATOM 477 O O . THR A 1 62 ? 18.578 10.599 -4.375 1.00 11.31 ? 62 THR A O 1
898
+ ATOM 478 C CB . THR A 1 62 ? 21.203 10.060 -5.836 1.00 8.63 ? 62 THR A CB 1
899
+ ATOM 479 O OG1 . THR A 1 62 ? 21.962 9.801 -4.649 1.00 9.77 ? 62 THR A OG1 1
900
+ ATOM 480 C CG2 . THR A 1 62 ? 22.097 10.082 -7.046 1.00 9.45 ? 62 THR A CG2 1
901
+ ATOM 481 N N . GLN A 1 63 ? 19.912 12.156 -3.461 1.00 7.08 ? 63 GLN A N 1
902
+ ATOM 482 C CA . GLN A 1 63 ? 19.188 12.270 -2.216 1.00 7.95 ? 63 GLN A CA 1
903
+ ATOM 483 C C . GLN A 1 63 ? 18.335 13.506 -2.120 1.00 7.88 ? 63 GLN A C 1
904
+ ATOM 484 O O . GLN A 1 63 ? 17.310 13.507 -1.429 1.00 9.65 ? 63 GLN A O 1
905
+ ATOM 485 C CB . GLN A 1 63 ? 20.169 12.205 -1.017 1.00 9.02 ? 63 GLN A CB 1
906
+ ATOM 486 C CG . GLN A 1 63 ? 20.990 10.934 -0.976 1.00 12.55 ? 63 GLN A CG 1
907
+ ATOM 487 C CD . GLN A 1 63 ? 20.169 9.747 -0.976 1.00 14.65 ? 63 GLN A CD 1
908
+ ATOM 488 O OE1 . GLN A 1 63 ? 19.289 9.598 -0.137 1.00 17.51 ? 63 GLN A OE1 1
909
+ ATOM 489 N NE2 . GLN A 1 63 ? 20.421 8.876 -1.934 1.00 18.09 ? 63 GLN A NE2 1
910
+ ATOM 490 N N . HIS A 1 64 ? 18.754 14.572 -2.808 1.00 7.14 ? 64 HIS A N 1
911
+ ATOM 491 C CA . HIS A 1 64 ? 18.115 15.878 -2.723 1.00 6.86 ? 64 HIS A CA 1
912
+ ATOM 492 C C . HIS A 1 64 ? 17.861 16.418 -4.136 1.00 6.65 ? 64 HIS A C 1
913
+ ATOM 493 O O . HIS A 1 64 ? 18.201 17.546 -4.424 1.00 7.21 ? 64 HIS A O 1
914
+ ATOM 494 C CB . HIS A 1 64 ? 18.939 16.850 -1.869 1.00 7.52 ? 64 HIS A CB 1
915
+ ATOM 495 C CG . HIS A 1 64 ? 19.367 16.228 -0.601 1.00 8.65 ? 64 HIS A CG 1
916
+ ATOM 496 N ND1 . HIS A 1 64 ? 18.494 15.991 0.445 1.00 11.28 ? 64 HIS A ND1 1
917
+ ATOM 497 C CD2 . HIS A 1 64 ? 20.583 15.751 -0.226 1.00 8.87 ? 64 HIS A CD2 1
918
+ ATOM 498 C CE1 . HIS A 1 64 ? 19.172 15.386 1.402 1.00 11.89 ? 64 HIS A CE1 1
919
+ ATOM 499 N NE2 . HIS A 1 64 ? 20.430 15.230 1.031 1.00 11.55 ? 64 HIS A NE2 1
920
+ ATOM 500 N N . TYR A 1 65 ? 17.278 15.597 -5.018 1.00 6.93 ? 65 TYR A N 1
921
+ ATOM 501 C CA . TYR A 1 65 ? 17.186 16.003 -6.399 1.00 6.93 ? 65 TYR A CA 1
922
+ ATOM 502 C C . TYR A 1 65 ? 16.393 17.301 -6.551 1.00 7.36 ? 65 TYR A C 1
923
+ ATOM 503 O O . TYR A 1 65 ? 16.769 18.123 -7.373 1.00 7.66 ? 65 TYR A O 1
924
+ ATOM 504 C CB . TYR A 1 65 ? 16.575 14.916 -7.283 1.00 6.70 ? 65 TYR A CB 1
925
+ ATOM 505 C CG . TYR A 1 65 ? 16.530 15.349 -8.725 1.00 7.02 ? 65 TYR A CG 1
926
+ ATOM 506 C CD1 . TYR A 1 65 ? 17.713 15.591 -9.434 1.00 6.90 ? 65 TYR A CD1 1
927
+ ATOM 507 C CD2 . TYR A 1 65 ? 15.320 15.613 -9.365 1.00 7.46 ? 65 TYR A CD2 1
928
+ ATOM 508 C CE1 . TYR A 1 65 ? 17.699 16.053 -10.713 1.00 7.44 ? 65 TYR A CE1 1
929
+ ATOM 509 C CE2 . TYR A 1 65 ? 15.311 16.066 -10.680 1.00 7.59 ? 65 TYR A CE2 1
930
+ ATOM 510 C CZ . TYR A 1 65 ? 16.501 16.278 -11.347 1.00 7.47 ? 65 TYR A CZ 1
931
+ ATOM 511 O OH . TYR A 1 65 ? 16.494 16.741 -12.657 1.00 8.67 ? 65 TYR A OH 1
932
+ ATOM 512 N N . GLU A 1 66 ? 15.313 17.511 -5.801 1.00 7.78 ? 66 GLU A N 1
933
+ ATOM 513 C CA . GLU A 1 66 ? 14.543 18.746 -5.975 1.00 8.75 ? 66 GLU A CA 1
934
+ ATOM 514 C C . GLU A 1 66 ? 15.357 19.979 -5.627 1.00 8.59 ? 66 GLU A C 1
935
+ ATOM 515 O O . GLU A 1 66 ? 15.214 21.023 -6.263 1.00 9.67 ? 66 GLU A O 1
936
+ ATOM 516 C CB . GLU A 1 66 ? 13.235 18.718 -5.174 1.00 10.34 ? 66 GLU A CB 1
937
+ ATOM 517 C CG . GLU A 1 66 ? 12.291 17.629 -5.602 1.00 13.36 ? 66 GLU A CG 1
938
+ ATOM 518 C CD . GLU A 1 66 ? 12.677 16.272 -4.940 1.00 15.80 ? 66 GLU A CD 1
939
+ ATOM 519 O OE1 . GLU A 1 66 ? 13.683 16.187 -4.131 1.00 17.34 ? 66 GLU A OE1 1
940
+ ATOM 520 O OE2 . GLU A 1 66 ? 11.996 15.293 -5.245 1.00 17.97 ? 66 GLU A OE2 1
941
+ ATOM 521 N N . LEU A 1 67 ? 16.262 19.855 -4.661 1.00 8.21 ? 67 LEU A N 1
942
+ ATOM 522 C CA . LEU A 1 67 ? 17.163 20.961 -4.359 1.00 8.57 ? 67 LEU A CA 1
943
+ ATOM 523 C C . LEU A 1 67 ? 18.098 21.247 -5.552 1.00 7.85 ? 67 LEU A C 1
944
+ ATOM 524 O O . LEU A 1 67 ? 18.389 22.391 -5.873 1.00 8.69 ? 67 LEU A O 1
945
+ ATOM 525 C CB . LEU A 1 67 ? 17.983 20.634 -3.086 1.00 8.75 ? 67 LEU A CB 1
946
+ ATOM 526 C CG . LEU A 1 67 ? 19.092 21.591 -2.731 1.00 9.49 ? 67 LEU A CG 1
947
+ ATOM 527 C CD1 . LEU A 1 67 ? 18.548 22.996 -2.394 1.00 11.23 ? 67 LEU A CD1 1
948
+ ATOM 528 C CD2 . LEU A 1 67 ? 19.892 21.022 -1.554 1.00 10.38 ? 67 LEU A CD2 1
949
+ ATOM 529 N N . CYS A 1 68 ? 18.593 20.175 -6.188 1.00 6.96 ? 68 CYS A N 1
950
+ ATOM 530 C CA . CYS A 1 68 ? 19.419 20.327 -7.370 1.00 6.53 ? 68 CYS A CA 1
951
+ ATOM 531 C C . CYS A 1 68 ? 18.651 20.975 -8.525 1.00 6.85 ? 68 CYS A C 1
952
+ ATOM 532 O O . CYS A 1 68 ? 19.097 21.952 -9.105 1.00 7.04 ? 68 CYS A O 1
953
+ ATOM 533 C CB . CYS A 1 68 ? 19.993 18.960 -7.778 1.00 6.17 ? 68 CYS A CB 1
954
+ ATOM 534 S SG . CYS A 1 68 ? 20.960 18.310 -6.375 1.00 5.83 ? 68 CYS A SG 1
955
+ ATOM 535 N N . SER A 1 69 ? 17.484 20.412 -8.833 1.00 7.85 ? 69 SER A N 1
956
+ ATOM 536 C CA . SER A 1 69 ? 16.722 20.926 -9.957 0.40 8.86 ? 69 SER A CA 1
957
+ ATOM 537 C C . SER A 1 69 ? 16.281 22.368 -9.671 1.00 9.57 ? 69 SER A C 1
958
+ ATOM 538 O O . SER A 1 69 ? 16.252 23.202 -10.601 1.00 11.07 ? 69 SER A O 1
959
+ ATOM 539 C CB . SER A 1 69 ? 15.553 19.997 -10.311 0.40 10.91 ? 69 SER A CB 1
960
+ ATOM 540 O OG . SER A 1 69 ? 14.673 19.872 -9.215 0.40 12.83 ? 69 SER A OG 1
961
+ ATOM 541 N N . GLY A 1 70 ? 15.987 22.686 -8.414 1.00 10.12 ? 70 GLY A N 1
962
+ ATOM 542 C CA . GLY A 1 70 ? 15.613 24.048 -8.014 1.00 12.98 ? 70 GLY A CA 1
963
+ ATOM 543 C C . GLY A 1 70 ? 16.736 25.071 -8.179 1.00 12.54 ? 70 GLY A C 1
964
+ ATOM 544 O O . GLY A 1 70 ? 16.477 26.274 -8.266 1.00 17.53 ? 70 GLY A O 1
965
+ ATOM 545 N N . ASN A 1 71 ? 17.978 24.594 -8.240 1.00 9.10 ? 71 ASN A N 1
966
+ ATOM 546 C CA . ASN A 1 71 ? 19.144 25.404 -8.520 1.00 9.07 ? 71 ASN A CA 1
967
+ ATOM 547 C C . ASN A 1 71 ? 19.641 25.229 -9.960 1.00 8.61 ? 71 ASN A C 1
968
+ ATOM 548 O O . ASN A 1 71 ? 20.759 25.629 -10.277 1.00 8.99 ? 71 ASN A O 1
969
+ ATOM 549 C CB . ASN A 1 71 ? 20.264 25.159 -7.508 1.00 9.92 ? 71 ASN A CB 1
970
+ ATOM 550 C CG . ASN A 1 71 ? 19.943 25.841 -6.211 1.00 12.14 ? 71 ASN A CG 1
971
+ ATOM 551 O OD1 . ASN A 1 71 ? 20.031 27.076 -6.120 1.00 14.28 ? 71 ASN A OD1 1
972
+ ATOM 552 N ND2 . ASN A 1 71 ? 19.479 25.080 -5.227 1.00 14.06 ? 71 ASN A ND2 1
973
+ ATOM 553 N N . GLN A 1 72 ? 18.761 24.692 -10.807 1.00 8.36 ? 72 GLN A N 1
974
+ ATOM 554 C CA . GLN A 1 72 ? 19.011 24.566 -12.234 0.20 9.14 ? 72 GLN A CA 1
975
+ ATOM 555 C C . GLN A 1 72 ? 20.238 23.705 -12.518 1.00 7.86 ? 72 GLN A C 1
976
+ ATOM 556 O O . GLN A 1 72 ? 20.935 23.898 -13.512 1.00 9.03 ? 72 GLN A O 1
977
+ ATOM 557 C CB . GLN A 1 72 ? 19.094 25.939 -12.916 0.20 11.46 ? 72 GLN A CB 1
978
+ ATOM 558 C CG . GLN A 1 72 ? 17.732 26.623 -13.061 0.20 13.04 ? 72 GLN A CG 1
979
+ ATOM 559 C CD . GLN A 1 72 ? 17.168 27.137 -11.744 0.20 15.42 ? 72 GLN A CD 1
980
+ ATOM 560 O OE1 . GLN A 1 72 ? 17.905 27.438 -10.804 0.20 15.95 ? 72 GLN A OE1 1
981
+ ATOM 561 N NE2 . GLN A 1 72 ? 15.846 27.241 -11.676 0.20 17.27 ? 72 GLN A NE2 1
982
+ ATOM 562 N N . VAL A 1 73 ? 20.476 22.712 -11.653 1.00 6.56 ? 73 VAL A N 1
983
+ ATOM 563 C CA . VAL A 1 73 ? 21.533 21.752 -11.908 1.00 6.24 ? 73 VAL A CA 1
984
+ ATOM 564 C C . VAL A 1 73 ? 20.989 20.743 -12.910 1.00 6.29 ? 73 VAL A C 1
985
+ ATOM 565 O O . VAL A 1 73 ? 19.983 20.073 -12.660 1.00 8.53 ? 73 VAL A O 1
986
+ ATOM 566 C CB . VAL A 1 73 ? 21.958 21.051 -10.605 1.00 7.02 ? 73 VAL A CB 1
987
+ ATOM 567 C CG1 . VAL A 1 73 ? 22.949 19.920 -10.914 1.00 6.90 ? 73 VAL A CG1 1
988
+ ATOM 568 C CG2 . VAL A 1 73 ? 22.577 22.077 -9.671 1.00 7.42 ? 73 VAL A CG2 1
989
+ ATOM 569 N N . ARG A 1 74 ? 21.684 20.627 -14.056 1.00 6.45 ? 74 ARG A N 1
990
+ ATOM 570 C CA . ARG A 1 74 ? 21.250 19.789 -15.185 1.00 7.18 ? 74 ARG A CA 1
991
+ ATOM 571 C C . ARG A 1 74 ? 22.179 18.614 -15.467 1.00 6.66 ? 74 ARG A C 1
992
+ ATOM 572 O O . ARG A 1 74 ? 21.892 17.816 -16.329 1.00 7.71 ? 74 ARG A O 1
993
+ ATOM 573 C CB . ARG A 1 74 ? 21.104 20.642 -16.463 1.00 10.15 ? 74 ARG A CB 1
994
+ ATOM 574 C CG . ARG A 1 74 ? 20.151 21.832 -16.310 1.00 12.85 ? 74 ARG A CG 1
995
+ ATOM 575 C CD . ARG A 1 74 ? 18.791 21.459 -15.714 1.00 17.58 ? 74 ARG A CD 1
996
+ ATOM 576 N NE . ARG A 1 74 ? 17.954 22.626 -15.464 1.00 19.93 ? 74 ARG A NE 1
997
+ ATOM 577 C CZ . ARG A 1 74 ? 16.939 22.661 -14.599 1.00 20.95 ? 74 ARG A CZ 1
998
+ ATOM 578 N NH1 . ARG A 1 74 ? 16.639 21.578 -13.874 1.00 23.27 ? 74 ARG A NH1 1
999
+ ATOM 579 N NH2 . ARG A 1 74 ? 16.250 23.784 -14.443 1.00 23.29 ? 74 ARG A NH2 1
1000
+ ATOM 580 N N . GLY A 1 75 ? 23.252 18.508 -14.689 1.00 6.82 ? 75 GLY A N 1
1001
+ ATOM 581 C CA . GLY A 1 75 ? 24.199 17.429 -14.876 1.00 6.82 ? 75 GLY A CA 1
1002
+ ATOM 582 C C . GLY A 1 75 ? 25.263 17.528 -13.804 1.00 5.62 ? 75 GLY A C 1
1003
+ ATOM 583 O O . GLY A 1 75 ? 25.292 18.474 -13.021 1.00 6.22 ? 75 GLY A O 1
1004
+ ATOM 584 N N . TYR A 1 76 ? 26.115 16.502 -13.750 1.00 5.57 ? 76 TYR A N 1
1005
+ ATOM 585 C CA . TYR A 1 76 ? 27.023 16.348 -12.613 1.00 5.64 ? 76 TYR A CA 1
1006
+ ATOM 586 C C . TYR A 1 76 ? 28.458 16.157 -13.096 1.00 5.76 ? 76 TYR A C 1
1007
+ ATOM 587 O O . TYR A 1 76 ? 28.715 15.452 -14.082 1.00 6.71 ? 76 TYR A O 1
1008
+ ATOM 588 C CB . TYR A 1 76 ? 26.628 15.102 -11.797 1.00 5.98 ? 76 TYR A CB 1
1009
+ ATOM 589 C CG . TYR A 1 76 ? 25.171 15.084 -11.473 1.00 5.78 ? 76 TYR A CG 1
1010
+ ATOM 590 C CD1 . TYR A 1 76 ? 24.567 16.101 -10.758 1.00 6.16 ? 76 TYR A CD1 1
1011
+ ATOM 591 C CD2 . TYR A 1 76 ? 24.372 14.074 -11.957 1.00 7.12 ? 76 TYR A CD2 1
1012
+ ATOM 592 C CE1 . TYR A 1 76 ? 23.209 16.127 -10.538 1.00 5.73 ? 76 TYR A CE1 1
1013
+ ATOM 593 C CE2 . TYR A 1 76 ? 23.040 14.057 -11.716 1.00 7.20 ? 76 TYR A CE2 1
1014
+ ATOM 594 C CZ . TYR A 1 76 ? 22.431 15.097 -10.983 1.00 6.64 ? 76 TYR A CZ 1
1015
+ ATOM 595 O OH . TYR A 1 76 ? 21.085 15.131 -10.737 1.00 7.55 ? 76 TYR A OH 1
1016
+ ATOM 596 N N . PRO A 1 77 ? 29.433 16.713 -12.375 1.00 5.54 ? 77 PRO A N 1
1017
+ ATOM 597 C CA . PRO A 1 77 ? 29.253 17.632 -11.249 1.00 5.22 ? 77 PRO A CA 1
1018
+ ATOM 598 C C . PRO A 1 77 ? 28.976 19.058 -11.757 1.00 5.26 ? 77 PRO A C 1
1019
+ ATOM 599 O O . PRO A 1 77 ? 29.515 19.464 -12.781 1.00 6.68 ? 77 PRO A O 1
1020
+ ATOM 600 C CB . PRO A 1 77 ? 30.626 17.590 -10.569 1.00 6.00 ? 77 PRO A CB 1
1021
+ ATOM 601 C CG . PRO A 1 77 ? 31.600 17.405 -11.753 1.00 6.41 ? 77 PRO A CG 1
1022
+ ATOM 602 C CD . PRO A 1 77 ? 30.852 16.534 -12.747 1.00 6.56 ? 77 PRO A CD 1
1023
+ ATOM 603 N N . THR A 1 78 ? 28.144 19.784 -10.993 1.00 4.90 ? 78 THR A N 1
1024
+ ATOM 604 C CA . THR A 1 78 ? 27.949 21.205 -11.198 1.00 4.52 ? 78 THR A CA 1
1025
+ ATOM 605 C C . THR A 1 78 ? 28.497 21.914 -9.970 1.00 3.97 ? 78 THR A C 1
1026
+ ATOM 606 O O . THR A 1 78 ? 28.145 21.585 -8.842 1.00 4.52 ? 78 THR A O 1
1027
+ ATOM 607 C CB . THR A 1 78 ? 26.484 21.546 -11.438 1.00 5.30 ? 78 THR A CB 1
1028
+ ATOM 608 O OG1 . THR A 1 78 ? 26.091 21.029 -12.710 1.00 6.02 ? 78 THR A OG1 1
1029
+ ATOM 609 C CG2 . THR A 1 78 ? 26.235 23.036 -11.479 1.00 6.19 ? 78 THR A CG2 1
1030
+ ATOM 610 N N . LEU A 1 79 ? 29.387 22.869 -10.198 1.00 4.62 ? 79 LEU A N 1
1031
+ ATOM 611 C CA . LEU A 1 79 ? 30.161 23.532 -9.136 1.00 4.71 ? 79 LEU A CA 1
1032
+ ATOM 612 C C . LEU A 1 79 ? 29.706 24.975 -9.078 1.00 4.55 ? 79 LEU A C 1
1033
+ ATOM 613 O O . LEU A 1 79 ? 29.951 25.743 -10.012 1.00 5.80 ? 79 LEU A O 1
1034
+ ATOM 614 C CB . LEU A 1 79 ? 31.658 23.403 -9.443 1.00 5.72 ? 79 LEU A CB 1
1035
+ ATOM 615 C CG . LEU A 1 79 ? 32.147 21.992 -9.766 1.00 6.09 ? 79 LEU A CG 1
1036
+ ATOM 616 C CD1 . LEU A 1 79 ? 33.670 22.015 -10.020 1.00 7.51 ? 79 LEU A CD1 1
1037
+ ATOM 617 C CD2 . LEU A 1 79 ? 31.804 21.025 -8.655 1.00 5.74 ? 79 LEU A CD2 1
1038
+ ATOM 618 N N . LEU A 1 80 ? 28.995 25.331 -8.008 1.00 4.66 ? 80 LEU A N 1
1039
+ ATOM 619 C CA . LEU A 1 80 ? 28.349 26.642 -7.904 1.00 4.96 ? 80 LEU A CA 1
1040
+ ATOM 620 C C . LEU A 1 80 ? 28.908 27.457 -6.761 1.00 5.16 ? 80 LEU A C 1
1041
+ ATOM 621 O O . LEU A 1 80 ? 29.195 26.935 -5.689 1.00 5.29 ? 80 LEU A O 1
1042
+ ATOM 622 C CB . LEU A 1 80 ? 26.832 26.496 -7.669 1.00 5.22 ? 80 LEU A CB 1
1043
+ ATOM 623 C CG . LEU A 1 80 ? 26.077 25.730 -8.773 1.00 5.76 ? 80 LEU A CG 1
1044
+ ATOM 624 C CD1 . LEU A 1 80 ? 24.574 25.760 -8.505 1.00 6.11 ? 80 LEU A CD1 1
1045
+ ATOM 625 C CD2 . LEU A 1 80 ? 26.389 26.269 -10.158 1.00 6.42 ? 80 LEU A CD2 1
1046
+ ATOM 626 N N . TRP A 1 81 ? 29.015 28.766 -7.007 1.00 5.48 ? 81 TRP A N 1
1047
+ ATOM 627 C CA . TRP A 1 81 ? 29.355 29.735 -5.988 1.00 5.77 ? 81 TRP A CA 1
1048
+ ATOM 628 C C . TRP A 1 81 ? 28.092 30.387 -5.497 1.00 5.68 ? 81 TRP A C 1
1049
+ ATOM 629 O O . TRP A 1 81 ? 27.274 30.866 -6.314 1.00 6.94 ? 81 TRP A O 1
1050
+ ATOM 630 C CB . TRP A 1 81 ? 30.341 30.799 -6.478 1.00 6.88 ? 81 TRP A CB 1
1051
+ ATOM 631 C CG . TRP A 1 81 ? 31.067 31.502 -5.385 1.00 7.21 ? 81 TRP A CG 1
1052
+ ATOM 632 C CD1 . TRP A 1 81 ? 30.653 32.543 -4.619 1.00 8.26 ? 81 TRP A CD1 1
1053
+ ATOM 633 C CD2 . TRP A 1 81 ? 32.327 31.094 -4.871 1.00 7.12 ? 81 TRP A CD2 1
1054
+ ATOM 634 N NE1 . TRP A 1 81 ? 31.610 32.839 -3.666 1.00 8.43 ? 81 TRP A NE1 1
1055
+ ATOM 635 C CE2 . TRP A 1 81 ? 32.655 31.959 -3.817 1.00 7.37 ? 81 TRP A CE2 1
1056
+ ATOM 636 C CE3 . TRP A 1 81 ? 33.233 30.097 -5.226 1.00 7.20 ? 81 TRP A CE3 1
1057
+ ATOM 637 C CZ2 . TRP A 1 81 ? 33.861 31.811 -3.087 1.00 8.17 ? 81 TRP A CZ2 1
1058
+ ATOM 638 C CZ3 . TRP A 1 81 ? 34.425 29.986 -4.533 1.00 8.21 ? 81 TRP A CZ3 1
1059
+ ATOM 639 C CH2 . TRP A 1 81 ? 34.734 30.832 -3.484 1.00 8.81 ? 81 TRP A CH2 1
1060
+ ATOM 640 N N . PHE A 1 82 ? 27.919 30.443 -4.176 1.00 6.14 ? 82 PHE A N 1
1061
+ ATOM 641 C CA . PHE A 1 82 ? 26.830 31.171 -3.527 1.00 7.34 ? 82 PHE A CA 1
1062
+ ATOM 642 C C . PHE A 1 82 ? 27.429 32.235 -2.656 1.00 7.62 ? 82 PHE A C 1
1063
+ ATOM 643 O O . PHE A 1 82 ? 28.451 32.018 -1.985 1.00 8.55 ? 82 PHE A O 1
1064
+ ATOM 644 C CB . PHE A 1 82 ? 25.898 30.248 -2.689 1.00 7.76 ? 82 PHE A CB 1
1065
+ ATOM 645 C CG . PHE A 1 82 ? 24.975 29.356 -3.495 1.00 7.71 ? 82 PHE A CG 1
1066
+ ATOM 646 C CD1 . PHE A 1 82 ? 25.427 28.264 -4.214 1.00 9.12 ? 82 PHE A CD1 1
1067
+ ATOM 647 C CD2 . PHE A 1 82 ? 23.625 29.627 -3.555 1.00 9.21 ? 82 PHE A CD2 1
1068
+ ATOM 648 C CE1 . PHE A 1 82 ? 24.495 27.467 -4.957 1.00 10.24 ? 82 PHE A CE1 1
1069
+ ATOM 649 C CE2 . PHE A 1 82 ? 22.738 28.831 -4.291 1.00 9.94 ? 82 PHE A CE2 1
1070
+ ATOM 650 C CZ . PHE A 1 82 ? 23.181 27.796 -5.006 1.00 11.05 ? 82 PHE A CZ 1
1071
+ ATOM 651 N N . ARG A 1 83 ? 26.789 33.403 -2.638 1.00 8.64 ? 83 ARG A N 1
1072
+ ATOM 652 C CA . ARG A 1 83 ? 27.206 34.487 -1.768 1.00 9.54 ? 83 ARG A CA 1
1073
+ ATOM 653 C C . ARG A 1 83 ? 25.959 35.052 -1.118 1.00 10.11 ? 83 ARG A C 1
1074
+ ATOM 654 O O . ARG A 1 83 ? 25.060 35.498 -1.835 1.00 10.34 ? 83 ARG A O 1
1075
+ ATOM 655 C CB . ARG A 1 83 ? 27.975 35.553 -2.550 1.00 11.35 ? 83 ARG A CB 1
1076
+ ATOM 656 C CG . ARG A 1 83 ? 28.485 36.686 -1.689 1.00 13.71 ? 83 ARG A CG 1
1077
+ ATOM 657 C CD . ARG A 1 83 ? 29.353 37.673 -2.487 1.00 14.20 ? 83 ARG A CD 1
1078
+ ATOM 658 N NE . ARG A 1 83 ? 30.512 37.003 -3.083 1.00 13.71 ? 83 ARG A NE 1
1079
+ ATOM 659 C CZ . ARG A 1 83 ? 30.818 36.958 -4.386 1.00 14.60 ? 83 ARG A CZ 1
1080
+ ATOM 660 N NH1 . ARG A 1 83 ? 30.079 37.595 -5.291 1.00 17.47 ? 83 ARG A NH1 1
1081
+ ATOM 661 N NH2 . ARG A 1 83 ? 31.908 36.304 -4.780 1.00 16.05 ? 83 ARG A NH2 1
1082
+ ATOM 662 N N . ASP A 1 84 ? 25.889 35.070 0.208 1.00 10.65 ? 84 ASP A N 1
1083
+ ATOM 663 C CA . ASP A 1 84 ? 24.807 35.698 0.951 1.00 11.75 ? 84 ASP A CA 1
1084
+ ATOM 664 C C . ASP A 1 84 ? 23.441 35.280 0.411 1.00 12.30 ? 84 ASP A C 1
1085
+ ATOM 665 O O . ASP A 1 84 ? 22.571 36.110 0.171 1.00 13.80 ? 84 ASP A O 1
1086
+ ATOM 666 C CB . ASP A 1 84 ? 24.981 37.206 0.962 1.00 14.58 ? 84 ASP A CB 1
1087
+ ATOM 667 C CG . ASP A 1 84 ? 26.242 37.626 1.661 1.00 18.20 ? 84 ASP A CG 1
1088
+ ATOM 668 O OD1 . ASP A 1 84 ? 26.531 37.035 2.712 1.00 18.76 ? 84 ASP A OD1 1
1089
+ ATOM 669 O OD2 . ASP A 1 84 ? 26.909 38.586 1.219 1.00 22.81 ? 84 ASP A OD2 1
1090
+ ATOM 670 N N . GLY A 1 85 ? 23.282 33.975 0.221 1.00 11.55 ? 85 GLY A N 1
1091
+ ATOM 671 C CA . GLY A 1 85 ? 21.995 33.414 -0.114 1.00 12.02 ? 85 GLY A CA 1
1092
+ ATOM 672 C C . GLY A 1 85 ? 21.717 33.243 -1.598 1.00 11.72 ? 85 GLY A C 1
1093
+ ATOM 673 O O . GLY A 1 85 ? 20.685 32.656 -1.920 1.00 14.43 ? 85 GLY A O 1
1094
+ ATOM 674 N N . LYS A 1 86 ? 22.591 33.737 -2.474 1.00 10.17 ? 86 LYS A N 1
1095
+ ATOM 675 C CA . LYS A 1 86 ? 22.305 33.794 -3.892 1.00 10.23 ? 86 LYS A CA 1
1096
+ ATOM 676 C C . LYS A 1 86 ? 23.364 33.038 -4.682 1.00 9.10 ? 86 LYS A C 1
1097
+ ATOM 677 O O . LYS A 1 86 ? 24.562 33.170 -4.425 1.00 9.27 ? 86 LYS A O 1
1098
+ ATOM 678 C CB . LYS A 1 86 ? 22.297 35.270 -4.343 1.00 12.92 ? 86 LYS A CB 1
1099
+ ATOM 679 C CG . LYS A 1 86 ? 21.913 35.509 -5.789 1.00 17.53 ? 86 LYS A CG 1
1100
+ ATOM 680 N N . LYS A 1 87 ? 22.897 32.265 -5.684 1.00 8.93 ? 87 LYS A N 1
1101
+ ATOM 681 C CA . LYS A 1 87 ? 23.815 31.686 -6.664 0.50 8.73 ? 87 LYS A CA 1
1102
+ ATOM 682 C C . LYS A 1 87 ? 24.397 32.817 -7.490 1.00 8.06 ? 87 LYS A C 1
1103
+ ATOM 683 O O . LYS A 1 87 ? 23.647 33.600 -8.086 1.00 9.81 ? 87 LYS A O 1
1104
+ ATOM 684 C CB . LYS A 1 87 ? 23.102 30.701 -7.594 0.50 8.92 ? 87 LYS A CB 1
1105
+ ATOM 685 C CG . LYS A 1 87 ? 24.015 30.147 -8.668 0.50 8.41 ? 87 LYS A CG 1
1106
+ ATOM 686 C CD . LYS A 1 87 ? 23.266 29.411 -9.784 0.50 9.31 ? 87 LYS A CD 1
1107
+ ATOM 687 C CE . LYS A 1 87 ? 24.121 29.195 -11.025 0.50 8.72 ? 87 LYS A CE 1
1108
+ ATOM 688 N NZ . LYS A 1 87 ? 23.401 28.360 -12.035 0.50 8.70 ? 87 LYS A NZ 1
1109
+ ATOM 689 N N . VAL A 1 88 ? 25.720 32.899 -7.536 1.00 7.94 ? 88 VAL A N 1
1110
+ ATOM 690 C CA . VAL A 1 88 ? 26.427 33.958 -8.249 1.00 8.17 ? 88 VAL A CA 1
1111
+ ATOM 691 C C . VAL A 1 88 ? 27.379 33.496 -9.320 1.00 7.97 ? 88 VAL A C 1
1112
+ ATOM 692 O O . VAL A 1 88 ? 27.832 34.339 -10.080 1.00 9.94 ? 88 VAL A O 1
1113
+ ATOM 693 C CB . VAL A 1 88 ? 27.130 34.983 -7.279 1.00 9.24 ? 88 VAL A CB 1
1114
+ ATOM 694 C CG1 . VAL A 1 88 ? 26.125 35.584 -6.353 1.00 9.68 ? 88 VAL A CG1 1
1115
+ ATOM 695 C CG2 . VAL A 1 88 ? 28.270 34.309 -6.517 1.00 10.45 ? 88 VAL A CG2 1
1116
+ ATOM 696 N N . ASP A 1 89 ? 27.689 32.200 -9.440 1.00 6.83 ? 89 ASP A N 1
1117
+ ATOM 697 C CA . ASP A 1 89 ? 28.568 31.754 -10.487 1.00 6.86 ? 89 ASP A CA 1
1118
+ ATOM 698 C C . ASP A 1 89 ? 28.462 30.264 -10.636 1.00 7.06 ? 89 ASP A C 1
1119
+ ATOM 699 O O . ASP A 1 89 ? 28.130 29.553 -9.660 1.00 7.39 ? 89 ASP A O 1
1120
+ ATOM 700 C CB . ASP A 1 89 ? 30.035 32.148 -10.194 1.00 8.16 ? 89 ASP A CB 1
1121
+ ATOM 701 C CG . ASP A 1 89 ? 30.930 32.098 -11.424 1.00 9.47 ? 89 ASP A CG 1
1122
+ ATOM 702 O OD1 . ASP A 1 89 ? 30.518 32.580 -12.493 1.00 13.05 ? 89 ASP A OD1 1
1123
+ ATOM 703 O OD2 . ASP A 1 89 ? 32.042 31.531 -11.355 1.00 10.67 ? 89 ASP A OD2 1
1124
+ ATOM 704 N N . GLN A 1 90 ? 28.797 29.792 -11.820 1.00 7.46 ? 90 GLN A N 1
1125
+ ATOM 705 C CA . GLN A 1 90 ? 29.061 28.395 -12.067 1.00 7.54 ? 90 GLN A CA 1
1126
+ ATOM 706 C C . GLN A 1 90 ? 30.467 28.243 -12.612 1.00 7.30 ? 90 GLN A C 1
1127
+ ATOM 707 O O . GLN A 1 90 ? 30.806 28.887 -13.598 1.00 8.93 ? 90 GLN A O 1
1128
+ ATOM 708 C CB . GLN A 1 90 ? 28.062 27.812 -13.078 1.00 7.74 ? 90 GLN A CB 1
1129
+ ATOM 709 C CG . GLN A 1 90 ? 28.379 26.374 -13.387 1.00 8.18 ? 90 GLN A CG 1
1130
+ ATOM 710 C CD . GLN A 1 90 ? 27.406 25.668 -14.278 1.00 8.92 ? 90 GLN A CD 1
1131
+ ATOM 711 O OE1 . GLN A 1 90 ? 26.356 26.196 -14.624 1.00 11.94 ? 90 GLN A OE1 1
1132
+ ATOM 712 N NE2 . GLN A 1 90 ? 27.771 24.442 -14.667 1.00 10.07 ? 90 GLN A NE2 1
1133
+ ATOM 713 N N . TYR A 1 91 ? 31.264 27.388 -11.992 1.00 7.12 ? 91 TYR A N 1
1134
+ ATOM 714 C CA . TYR A 1 91 ? 32.639 27.150 -12.380 0.60 8.14 ? 91 TYR A CA 1
1135
+ ATOM 715 C C . TYR A 1 91 ? 32.744 26.003 -13.426 1.00 7.13 ? 91 TYR A C 1
1136
+ ATOM 716 O O . TYR A 1 91 ? 32.496 24.837 -13.074 1.00 7.73 ? 91 TYR A O 1
1137
+ ATOM 717 C CB . TYR A 1 91 ? 33.431 26.764 -11.113 0.60 7.85 ? 91 TYR A CB 1
1138
+ ATOM 718 C CG . TYR A 1 91 ? 34.854 26.477 -11.456 0.60 9.45 ? 91 TYR A CG 1
1139
+ ATOM 719 C CD1 . TYR A 1 91 ? 35.764 27.506 -11.574 0.60 10.76 ? 91 TYR A CD1 1
1140
+ ATOM 720 C CD2 . TYR A 1 91 ? 35.280 25.179 -11.721 0.60 9.74 ? 91 TYR A CD2 1
1141
+ ATOM 721 C CE1 . TYR A 1 91 ? 37.075 27.247 -11.891 0.60 12.06 ? 91 TYR A CE1 1
1142
+ ATOM 722 C CE2 . TYR A 1 91 ? 36.596 24.915 -12.068 0.60 10.82 ? 91 TYR A CE2 1
1143
+ ATOM 723 C CZ . TYR A 1 91 ? 37.487 25.961 -12.153 0.60 11.28 ? 91 TYR A CZ 1
1144
+ ATOM 724 O OH . TYR A 1 91 ? 38.809 25.746 -12.489 0.60 11.46 ? 91 TYR A OH 1
1145
+ ATOM 725 N N . LYS A 1 92 ? 33.107 26.345 -14.660 1.00 7.46 ? 92 LYS A N 1
1146
+ ATOM 726 C CA . LYS A 1 92 ? 33.123 25.411 -15.776 1.00 9.05 ? 92 LYS A CA 1
1147
+ ATOM 727 C C . LYS A 1 92 ? 34.551 25.066 -16.221 1.00 8.68 ? 92 LYS A C 1
1148
+ ATOM 728 O O . LYS A 1 92 ? 34.763 24.395 -17.236 1.00 11.15 ? 92 LYS A O 1
1149
+ ATOM 729 C CB . LYS A 1 92 ? 32.326 26.001 -16.942 1.00 11.54 ? 92 LYS A CB 1
1150
+ ATOM 730 C CG . LYS A 1 92 ? 30.871 26.231 -16.610 1.00 14.25 ? 92 LYS A CG 1
1151
+ ATOM 731 C CD . LYS A 1 92 ? 30.111 26.840 -17.795 1.00 18.48 ? 92 LYS A CD 1
1152
+ ATOM 732 C CE . LYS A 1 92 ? 28.669 27.066 -17.472 1.00 21.41 ? 92 LYS A CE 1
1153
+ ATOM 733 N NZ . LYS A 1 92 ? 27.989 27.695 -18.630 1.00 24.88 ? 92 LYS A NZ 1
1154
+ ATOM 734 N N . GLY A 1 93 ? 35.546 25.524 -15.471 1.00 8.31 ? 93 GLY A N 1
1155
+ ATOM 735 C CA . GLY A 1 93 ? 36.924 25.330 -15.842 1.00 8.44 ? 93 GLY A CA 1
1156
+ ATOM 736 C C . GLY A 1 93 ? 37.514 23.998 -15.393 1.00 8.02 ? 93 GLY A C 1
1157
+ ATOM 737 O O . GLY A 1 93 ? 36.816 23.073 -14.975 1.00 8.40 ? 93 GLY A O 1
1158
+ ATOM 738 N N . LYS A 1 94 ? 38.832 23.917 -15.534 1.00 7.96 ? 94 LYS A N 1
1159
+ ATOM 739 C CA . LYS A 1 94 ? 39.590 22.734 -15.171 1.00 8.00 ? 94 LYS A CA 1
1160
+ ATOM 740 C C . LYS A 1 94 ? 39.439 22.423 -13.687 1.00 7.57 ? 94 LYS A C 1
1161
+ ATOM 741 O O . LYS A 1 94 ? 39.424 23.311 -12.842 1.00 8.47 ? 94 LYS A O 1
1162
+ ATOM 742 C CB . LYS A 1 94 ? 41.041 22.943 -15.561 1.00 10.07 ? 94 LYS A CB 1
1163
+ ATOM 743 C CG . LYS A 1 94 ? 41.939 21.755 -15.371 1.00 11.61 ? 94 LYS A CG 1
1164
+ ATOM 744 C CD . LYS A 1 94 ? 43.333 22.028 -15.965 1.00 14.94 ? 94 LYS A CD 1
1165
+ ATOM 745 C CE . LYS A 1 94 ? 44.257 20.883 -15.694 1.00 18.15 ? 94 LYS A CE 1
1166
+ ATOM 746 N NZ . LYS A 1 94 ? 45.605 21.186 -16.166 1.00 22.43 ? 94 LYS A NZ 1
1167
+ ATOM 747 N N . ARG A 1 95 ? 39.341 21.138 -13.386 1.00 7.82 ? 95 ARG A N 1
1168
+ ATOM 748 C CA . ARG A 1 95 ? 38.989 20.659 -12.044 1.00 8.02 ? 95 ARG A CA 1
1169
+ ATOM 749 C C . ARG A 1 95 ? 40.178 20.136 -11.245 1.00 8.94 ? 95 ARG A C 1
1170
+ ATOM 750 O O . ARG A 1 95 ? 39.978 19.408 -10.253 1.00 10.20 ? 95 ARG A O 1
1171
+ ATOM 751 C CB . ARG A 1 95 ? 37.911 19.601 -12.166 1.00 8.17 ? 95 ARG A CB 1
1172
+ ATOM 752 C CG . ARG A 1 95 ? 36.570 20.160 -12.646 1.00 7.41 ? 95 ARG A CG 1
1173
+ ATOM 753 C CD . ARG A 1 95 ? 35.616 19.050 -12.988 1.00 7.90 ? 95 ARG A CD 1
1174
+ ATOM 754 N NE . ARG A 1 95 ? 34.370 19.579 -13.509 1.00 7.48 ? 95 ARG A NE 1
1175
+ ATOM 755 C CZ . ARG A 1 95 ? 33.606 18.908 -14.372 1.00 7.01 ? 95 ARG A CZ 1
1176
+ ATOM 756 N NH1 . ARG A 1 95 ? 33.853 17.651 -14.650 1.00 7.97 ? 95 ARG A NH1 1
1177
+ ATOM 757 N NH2 . ARG A 1 95 ? 32.585 19.501 -14.978 1.00 7.62 ? 95 ARG A NH2 1
1178
+ ATOM 758 N N . ASP A 1 96 ? 41.400 20.554 -11.560 1.00 9.29 ? 96 ASP A N 1
1179
+ ATOM 759 C CA . ASP A 1 96 ? 42.538 20.239 -10.703 0.59 9.40 ? 96 ASP A CA 1
1180
+ ATOM 760 C C . ASP A 1 96 ? 42.535 21.138 -9.454 1.00 9.04 ? 96 ASP A C 1
1181
+ ATOM 761 O O . ASP A 1 96 ? 41.925 22.199 -9.413 1.00 8.85 ? 96 ASP A O 1
1182
+ ATOM 762 C CB . ASP A 1 96 ? 43.839 20.401 -11.480 0.59 11.16 ? 96 ASP A CB 1
1183
+ ATOM 763 C CG . ASP A 1 96 ? 44.112 21.822 -11.834 0.59 10.65 ? 96 ASP A CG 1
1184
+ ATOM 764 O OD1 . ASP A 1 96 ? 43.421 22.322 -12.726 0.59 12.65 ? 96 ASP A OD1 1
1185
+ ATOM 765 O OD2 . ASP A 1 96 ? 45.015 22.424 -11.223 0.59 12.27 ? 96 ASP A OD2 1
1186
+ ATOM 766 N N . LEU A 1 97 ? 43.286 20.719 -8.445 1.00 9.06 ? 97 LEU A N 1
1187
+ ATOM 767 C CA . LEU A 1 97 ? 43.280 21.463 -7.187 1.00 8.06 ? 97 LEU A CA 1
1188
+ ATOM 768 C C . LEU A 1 97 ? 43.722 22.900 -7.330 1.00 8.40 ? 97 LEU A C 1
1189
+ ATOM 769 O O . LEU A 1 97 ? 43.120 23.785 -6.737 1.00 8.57 ? 97 LEU A O 1
1190
+ ATOM 770 C CB . LEU A 1 97 ? 44.143 20.747 -6.151 1.00 8.03 ? 97 LEU A CB 1
1191
+ ATOM 771 C CG . LEU A 1 97 ? 44.143 21.343 -4.731 1.00 8.77 ? 97 LEU A CG 1
1192
+ ATOM 772 C CD1 . LEU A 1 97 ? 42.746 21.332 -4.130 1.00 8.67 ? 97 LEU A CD1 1
1193
+ ATOM 773 C CD2 . LEU A 1 97 ? 45.090 20.507 -3.861 1.00 10.42 ? 97 LEU A CD2 1
1194
+ ATOM 774 N N . GLU A 1 98 ? 44.797 23.144 -8.072 1.00 8.90 ? 98 GLU A N 1
1195
+ ATOM 775 C CA . GLU A 1 98 ? 45.307 24.492 -8.204 1.00 9.66 ? 98 GLU A CA 1
1196
+ ATOM 776 C C . GLU A 1 98 ? 44.289 25.400 -8.891 1.00 9.55 ? 98 GLU A C 1
1197
+ ATOM 777 O O . GLU A 1 98 ? 44.100 26.529 -8.455 1.00 10.30 ? 98 GLU A O 1
1198
+ ATOM 778 C CB . GLU A 1 98 ? 46.658 24.500 -8.897 1.00 11.73 ? 98 GLU A CB 1
1199
+ ATOM 779 C CG . GLU A 1 98 ? 47.190 25.871 -9.088 1.00 14.04 ? 98 GLU A CG 1
1200
+ ATOM 780 C CD . GLU A 1 98 ? 47.603 26.525 -7.768 1.00 18.38 ? 98 GLU A CD 1
1201
+ ATOM 781 O OE1 . GLU A 1 98 ? 47.660 25.835 -6.732 1.00 21.55 ? 98 GLU A OE1 1
1202
+ ATOM 782 O OE2 . GLU A 1 98 ? 47.884 27.755 -7.758 1.00 21.73 ? 98 GLU A OE2 1
1203
+ ATOM 783 N N . SER A 1 99 ? 43.676 24.917 -9.979 1.00 9.49 ? 99 SER A N 1
1204
+ ATOM 784 C CA . SER A 1 99 ? 42.677 25.737 -10.672 1.00 10.40 ? 99 SER A CA 1
1205
+ ATOM 785 C C . SER A 1 99 ? 41.505 26.086 -9.743 1.00 9.84 ? 99 SER A C 1
1206
+ ATOM 786 O O . SER A 1 99 ? 41.005 27.207 -9.736 1.00 10.86 ? 99 SER A O 1
1207
+ ATOM 787 C CB . SER A 1 99 ? 42.173 25.072 -11.952 1.00 10.94 ? 99 SER A CB 1
1208
+ ATOM 788 O OG . SER A 1 99 ? 43.238 24.820 -12.870 1.00 12.58 ? 99 SER A OG 1
1209
+ ATOM 789 N N . LEU A 1 100 ? 41.073 25.086 -8.957 1.00 8.51 ? 100 LEU A N 1
1210
+ ATOM 790 C CA . LEU A 1 100 ? 39.985 25.320 -8.043 1.00 8.17 ? 100 LEU A CA 1
1211
+ ATOM 791 C C . LEU A 1 100 ? 40.389 26.324 -6.958 1.00 8.47 ? 100 LEU A C 1
1212
+ ATOM 792 O O . LEU A 1 100 ? 39.627 27.197 -6.582 1.00 8.86 ? 100 LEU A O 1
1213
+ ATOM 793 C CB . LEU A 1 100 ? 39.493 24.021 -7.419 1.00 7.74 ? 100 LEU A CB 1
1214
+ ATOM 794 C CG . LEU A 1 100 ? 38.848 23.065 -8.412 1.00 8.47 ? 100 LEU A CG 1
1215
+ ATOM 795 C CD1 . LEU A 1 100 ? 38.652 21.728 -7.790 1.00 9.41 ? 100 LEU A CD1 1
1216
+ ATOM 796 C CD2 . LEU A 1 100 ? 37.498 23.601 -8.892 1.00 9.55 ? 100 LEU A CD2 1
1217
+ ATOM 797 N N . ARG A 1 101 ? 41.615 26.187 -6.432 1.00 9.29 ? 101 ARG A N 1
1218
+ ATOM 798 C CA . ARG A 1 101 ? 42.081 27.133 -5.424 1.00 10.59 ? 101 ARG A CA 1
1219
+ ATOM 799 C C . ARG A 1 101 ? 42.241 28.567 -5.922 1.00 11.73 ? 101 ARG A C 1
1220
+ ATOM 800 O O . ARG A 1 101 ? 41.919 29.493 -5.228 1.00 12.52 ? 101 ARG A O 1
1221
+ ATOM 801 C CB . ARG A 1 101 ? 43.413 26.670 -4.828 1.00 10.64 ? 101 ARG A CB 1
1222
+ ATOM 802 C CG . ARG A 1 101 ? 43.254 25.471 -3.936 1.00 10.15 ? 101 ARG A CG 1
1223
+ ATOM 803 C CD . ARG A 1 101 ? 44.574 25.002 -3.407 1.00 12.26 ? 101 ARG A CD 1
1224
+ ATOM 804 N NE . ARG A 1 101 ? 44.310 24.064 -2.330 1.00 15.36 ? 101 ARG A NE 1
1225
+ ATOM 805 C CZ . ARG A 1 101 ? 45.208 23.286 -1.763 1.00 16.36 ? 101 ARG A CZ 1
1226
+ ATOM 806 N NH1 . ARG A 1 101 ? 46.466 23.292 -2.206 1.00 18.14 ? 101 ARG A NH1 1
1227
+ ATOM 807 N NH2 . ARG A 1 101 ? 44.821 22.516 -0.745 1.00 16.14 ? 101 ARG A NH2 1
1228
+ ATOM 808 N N . GLU A 1 102 ? 42.733 28.697 -7.138 1.00 12.56 ? 102 GLU A N 1
1229
+ ATOM 809 C CA . GLU A 1 102 ? 42.857 30.018 -7.730 1.00 14.50 ? 102 GLU A CA 1
1230
+ ATOM 810 C C . GLU A 1 102 ? 41.474 30.655 -7.982 1.00 13.24 ? 102 GLU A C 1
1231
+ ATOM 811 O O . GLU A 1 102 ? 41.286 31.848 -7.788 1.00 15.08 ? 102 GLU A O 1
1232
+ ATOM 812 C CB . GLU A 1 102 ? 43.674 29.914 -9.006 1.00 17.18 ? 102 GLU A CB 1
1233
+ ATOM 813 C CG . GLU A 1 102 ? 45.170 29.574 -8.759 1.00 20.13 ? 102 GLU A CG 1
1234
+ ATOM 814 C CD . GLU A 1 102 ? 46.041 29.673 -10.011 1.00 23.22 ? 102 GLU A CD 1
1235
+ ATOM 815 O OE1 . GLU A 1 102 ? 45.523 30.108 -11.064 1.00 28.70 ? 102 GLU A OE1 1
1236
+ ATOM 816 O OE2 . GLU A 1 102 ? 47.246 29.305 -9.945 1.00 25.91 ? 102 GLU A OE2 1
1237
+ ATOM 817 N N . TYR A 1 103 ? 40.502 29.831 -8.369 1.00 12.70 ? 103 TYR A N 1
1238
+ ATOM 818 C CA . TYR A 1 103 ? 39.143 30.297 -8.522 1.00 11.59 ? 103 TYR A CA 1
1239
+ ATOM 819 C C . TYR A 1 103 ? 38.572 30.770 -7.187 1.00 10.75 ? 103 TYR A C 1
1240
+ ATOM 820 O O . TYR A 1 103 ? 37.947 31.833 -7.087 1.00 11.20 ? 103 TYR A O 1
1241
+ ATOM 821 C CB . TYR A 1 103 ? 38.295 29.198 -9.137 1.00 11.20 ? 103 TYR A CB 1
1242
+ ATOM 822 C CG . TYR A 1 103 ? 36.823 29.524 -9.131 1.00 10.49 ? 103 TYR A CG 1
1243
+ ATOM 823 C CD1 . TYR A 1 103 ? 36.296 30.487 -9.989 1.00 10.78 ? 103 TYR A CD1 1
1244
+ ATOM 824 C CD2 . TYR A 1 103 ? 35.945 28.837 -8.314 1.00 9.65 ? 103 TYR A CD2 1
1245
+ ATOM 825 C CE1 . TYR A 1 103 ? 34.962 30.762 -10.007 1.00 10.68 ? 103 TYR A CE1 1
1246
+ ATOM 826 C CE2 . TYR A 1 103 ? 34.608 29.101 -8.339 1.00 9.70 ? 103 TYR A CE2 1
1247
+ ATOM 827 C CZ . TYR A 1 103 ? 34.112 30.060 -9.187 1.00 9.86 ? 103 TYR A CZ 1
1248
+ ATOM 828 O OH . TYR A 1 103 ? 32.765 30.288 -9.146 1.00 10.52 ? 103 TYR A OH 1
1249
+ ATOM 829 N N . VAL A 1 104 ? 38.794 29.984 -6.133 1.00 9.68 ? 104 VAL A N 1
1250
+ ATOM 830 C CA . VAL A 1 104 ? 38.352 30.397 -4.835 1.00 9.46 ? 104 VAL A CA 1
1251
+ ATOM 831 C C . VAL A 1 104 ? 38.945 31.763 -4.458 1.00 11.84 ? 104 VAL A C 1
1252
+ ATOM 832 O O . VAL A 1 104 ? 38.237 32.643 -3.989 1.00 11.70 ? 104 VAL A O 1
1253
+ ATOM 833 C CB . VAL A 1 104 ? 38.705 29.323 -3.735 1.00 9.40 ? 104 VAL A CB 1
1254
+ ATOM 834 C CG1 . VAL A 1 104 ? 38.627 29.910 -2.329 1.00 10.24 ? 104 VAL A CG1 1
1255
+ ATOM 835 C CG2 . VAL A 1 104 ? 37.800 28.109 -3.864 1.00 8.57 ? 104 VAL A CG2 1
1256
+ ATOM 836 N N . GLU A 1 105 ? 40.246 31.922 -4.691 1.00 13.51 ? 105 GLU A N 1
1257
+ ATOM 837 C CA . GLU A 1 105 ? 40.901 33.192 -4.428 1.00 15.02 ? 105 GLU A CA 1
1258
+ ATOM 838 C C . GLU A 1 105 ? 40.245 34.332 -5.214 1.00 15.16 ? 105 GLU A C 1
1259
+ ATOM 839 O O . GLU A 1 105 ? 40.000 35.412 -4.661 1.00 17.73 ? 105 GLU A O 1
1260
+ ATOM 840 C CB . GLU A 1 105 ? 42.402 33.099 -4.745 1.00 19.38 ? 105 GLU A CB 1
1261
+ ATOM 841 C CG . GLU A 1 105 ? 43.217 34.305 -4.295 1.00 22.15 ? 105 GLU A CG 1
1262
+ ATOM 842 C CD . GLU A 1 105 ? 44.685 34.168 -4.646 1.00 25.93 ? 105 GLU A CD 1
1263
+ ATOM 843 O OE1 . GLU A 1 105 ? 45.039 33.222 -5.375 1.00 28.94 ? 105 GLU A OE1 1
1264
+ ATOM 844 O OE2 . GLU A 1 105 ? 45.488 35.018 -4.204 1.00 28.03 ? 105 GLU A OE2 1
1265
+ ATOM 845 N N . SER A 1 106 ? 39.957 34.088 -6.488 1.00 16.93 ? 106 SER A N 1
1266
+ ATOM 846 C CA . SER A 1 106 ? 39.338 35.114 -7.320 0.44 16.42 ? 106 SER A CA 1
1267
+ ATOM 847 C C . SER A 1 106 ? 37.986 35.535 -6.765 1.00 16.15 ? 106 SER A C 1
1268
+ ATOM 848 O O . SER A 1 106 ? 37.652 36.715 -6.756 1.00 17.69 ? 106 SER A O 1
1269
+ ATOM 849 C CB . SER A 1 106 ? 39.205 34.643 -8.772 0.44 18.94 ? 106 SER A CB 1
1270
+ ATOM 850 O OG . SER A 1 106 ? 38.738 35.697 -9.596 0.44 19.35 ? 106 SER A OG 1
1271
+ ATOM 851 N N . GLN A 1 107 ? 37.227 34.571 -6.281 1.00 14.62 ? 107 GLN A N 1
1272
+ ATOM 852 C CA . GLN A 1 107 ? 35.889 34.852 -5.779 1.00 14.43 ? 107 GLN A CA 1
1273
+ ATOM 853 C C . GLN A 1 107 ? 35.838 35.499 -4.395 1.00 15.08 ? 107 GLN A C 1
1274
+ ATOM 854 O O . GLN A 1 107 ? 34.860 36.170 -4.073 1.00 17.07 ? 107 GLN A O 1
1275
+ ATOM 855 C CB . GLN A 1 107 ? 35.053 33.580 -5.771 1.00 14.67 ? 107 GLN A CB 1
1276
+ ATOM 856 C CG . GLN A 1 107 ? 34.852 32.986 -7.131 1.00 15.98 ? 107 GLN A CG 1
1277
+ ATOM 857 C CD . GLN A 1 107 ? 33.911 33.770 -7.987 1.00 17.52 ? 107 GLN A CD 1
1278
+ ATOM 858 O OE1 . GLN A 1 107 ? 34.331 34.495 -8.879 1.00 21.53 ? 107 GLN A OE1 1
1279
+ ATOM 859 N NE2 . GLN A 1 107 ? 32.623 33.607 -7.729 1.00 18.20 ? 107 GLN A NE2 1
1280
+ ATOM 860 N N . LEU A 1 108 ? 36.870 35.270 -3.574 1.00 15.90 ? 108 LEU A N 1
1281
+ ATOM 861 C CA . LEU A 1 108 ? 36.969 35.878 -2.239 1.00 19.07 ? 108 LEU A CA 1
1282
+ ATOM 862 C C . LEU A 1 108 ? 37.545 37.291 -2.207 1.00 22.11 ? 108 LEU A C 1
1283
+ ATOM 863 O O . LEU A 1 108 ? 37.507 37.939 -1.151 1.00 23.61 ? 108 LEU A O 1
1284
+ ATOM 864 C CB . LEU A 1 108 ? 37.805 35.008 -1.304 1.00 19.08 ? 108 LEU A CB 1
1285
+ ATOM 865 C CG . LEU A 1 108 ? 37.112 33.757 -0.765 1.00 16.56 ? 108 LEU A CG 1
1286
+ ATOM 866 C CD1 . LEU A 1 108 ? 38.043 33.012 0.127 1.00 17.32 ? 108 LEU A CD1 1
1287
+ ATOM 867 C CD2 . LEU A 1 108 ? 35.860 34.151 0.006 1.00 18.10 ? 108 LEU A CD2 1
1288
+ ATOM 868 N N . GLN A 1 109 ? 38.057 37.781 -3.336 1.00 23.02 ? 109 GLN A N 1
1289
+ ATOM 869 C CA . GLN A 1 109 ? 38.645 39.121 -3.378 1.00 24.58 ? 109 GLN A CA 1
1290
+ ATOM 870 C C . GLN A 1 109 ? 37.572 40.181 -3.138 1.00 25.34 ? 109 GLN A C 1
1291
+ ATOM 871 O O . GLN A 1 109 ? 36.426 40.010 -3.554 1.00 26.28 ? 109 GLN A O 1
1292
+ ATOM 872 C CB . GLN A 1 109 ? 39.327 39.356 -4.728 1.00 25.08 ? 109 GLN A CB 1
1293
+ ATOM 873 C CG . GLN A 1 109 ? 40.628 38.582 -4.915 1.00 25.36 ? 109 GLN A CG 1
1294
+ #
1295
+ loop_
1296
+ _pdbx_audit_revision_history.ordinal 1
1297
+ _pdbx_audit_revision_history.data_content_type 'Structure model'
1298
+ _pdbx_audit_revision_history.major_revision 1
1299
+ _pdbx_audit_revision_history.minor_revision 0
1300
+ _pdbx_audit_revision_history.revision_date 2014-06-25
1301
+ #
mmcifs/3WH1_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/3WHJ_A.cif ADDED
@@ -0,0 +1,1323 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_3WHJ_A
2
+ #
3
+ _pdbx_database_status.entry_id 3WHJ_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
+ ;MEEEELSKLLANVKIDPSLTSRISQIDSFKLSELMVLKTDIETQLEAYFSVLEQQGIGMDSAYPRSDVDVLQVTMIRKNV
22
+ NMLKNDLNHLLQRSHVLLNQHFDNMNVKSNQ
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;MEEEELSKLLANVKIDPSLTSRISQIDSFKLSELMVLKTDIETQLEAYFSVLEQQGIGMDSAYPRSDVDVLQVTMIRKNV
26
+ NMLKNDLNHLLQRSHVLLNQHFDNMNVKSNQ
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 GLU n
39
+ 1 4 GLU n
40
+ 1 5 GLU n
41
+ 1 6 LEU n
42
+ 1 7 SER n
43
+ 1 8 LYS n
44
+ 1 9 LEU n
45
+ 1 10 LEU n
46
+ 1 11 ALA n
47
+ 1 12 ASN n
48
+ 1 13 VAL n
49
+ 1 14 LYS n
50
+ 1 15 ILE n
51
+ 1 16 ASP n
52
+ 1 17 PRO n
53
+ 1 18 SER n
54
+ 1 19 LEU n
55
+ 1 20 THR n
56
+ 1 21 SER n
57
+ 1 22 ARG n
58
+ 1 23 ILE n
59
+ 1 24 SER n
60
+ 1 25 GLN n
61
+ 1 26 ILE n
62
+ 1 27 ASP n
63
+ 1 28 SER n
64
+ 1 29 PHE n
65
+ 1 30 LYS n
66
+ 1 31 LEU n
67
+ 1 32 SER n
68
+ 1 33 GLU n
69
+ 1 34 LEU n
70
+ 1 35 MET n
71
+ 1 36 VAL n
72
+ 1 37 LEU n
73
+ 1 38 LYS n
74
+ 1 39 THR n
75
+ 1 40 ASP n
76
+ 1 41 ILE n
77
+ 1 42 GLU n
78
+ 1 43 THR n
79
+ 1 44 GLN n
80
+ 1 45 LEU n
81
+ 1 46 GLU n
82
+ 1 47 ALA n
83
+ 1 48 TYR n
84
+ 1 49 PHE n
85
+ 1 50 SER n
86
+ 1 51 VAL n
87
+ 1 52 LEU n
88
+ 1 53 GLU n
89
+ 1 54 GLN n
90
+ 1 55 GLN n
91
+ 1 56 GLY n
92
+ 1 57 ILE n
93
+ 1 58 GLY n
94
+ 1 59 MET n
95
+ 1 60 ASP n
96
+ 1 61 SER n
97
+ 1 62 ALA n
98
+ 1 63 TYR n
99
+ 1 64 PRO n
100
+ 1 65 ARG n
101
+ 1 66 SER n
102
+ 1 67 ASP n
103
+ 1 68 VAL n
104
+ 1 69 ASP n
105
+ 1 70 VAL n
106
+ 1 71 LEU n
107
+ 1 72 GLN n
108
+ 1 73 VAL n
109
+ 1 74 THR n
110
+ 1 75 MET n
111
+ 1 76 ILE n
112
+ 1 77 ARG n
113
+ 1 78 LYS n
114
+ 1 79 ASN n
115
+ 1 80 VAL n
116
+ 1 81 ASN n
117
+ 1 82 MET n
118
+ 1 83 LEU n
119
+ 1 84 LYS n
120
+ 1 85 ASN n
121
+ 1 86 ASP n
122
+ 1 87 LEU n
123
+ 1 88 ASN n
124
+ 1 89 HIS n
125
+ 1 90 LEU n
126
+ 1 91 LEU n
127
+ 1 92 GLN n
128
+ 1 93 ARG n
129
+ 1 94 SER n
130
+ 1 95 HIS n
131
+ 1 96 VAL n
132
+ 1 97 LEU n
133
+ 1 98 LEU n
134
+ 1 99 ASN n
135
+ 1 100 GLN n
136
+ 1 101 HIS n
137
+ 1 102 PHE n
138
+ 1 103 ASP n
139
+ 1 104 ASN n
140
+ 1 105 MET n
141
+ 1 106 ASN n
142
+ 1 107 VAL n
143
+ 1 108 LYS n
144
+ 1 109 SER n
145
+ 1 110 ASN n
146
+ 1 111 GLN n
147
+ #
148
+ _entity.id 1
149
+ _entity.type polymer
150
+ _entity.src_method man
151
+ _entity.pdbx_description ?
152
+ _entity.formula_weight 12791.586
153
+ _entity.pdbx_number_of_molecules 1
154
+ _entity.pdbx_ec ?
155
+ _entity.pdbx_mutation ?
156
+ _entity.pdbx_fragment ?
157
+ _entity.details ?
158
+ #
159
+ loop_
160
+ _pdbx_poly_seq_scheme.asym_id
161
+ _pdbx_poly_seq_scheme.entity_id
162
+ _pdbx_poly_seq_scheme.seq_id
163
+ _pdbx_poly_seq_scheme.mon_id
164
+ _pdbx_poly_seq_scheme.ndb_seq_num
165
+ _pdbx_poly_seq_scheme.pdb_seq_num
166
+ _pdbx_poly_seq_scheme.auth_seq_num
167
+ _pdbx_poly_seq_scheme.pdb_mon_id
168
+ _pdbx_poly_seq_scheme.auth_mon_id
169
+ _pdbx_poly_seq_scheme.pdb_strand_id
170
+ _pdbx_poly_seq_scheme.pdb_ins_code
171
+ _pdbx_poly_seq_scheme.hetero
172
+ A 1 1 MET 1 1 1 MET MET A . n
173
+ A 1 2 GLU 2 2 2 GLU GLU A . n
174
+ A 1 3 GLU 3 3 3 GLU GLU A . n
175
+ A 1 4 GLU 4 4 4 GLU GLU A . n
176
+ A 1 5 GLU 5 5 5 GLU GLU A . n
177
+ A 1 6 LEU 6 6 6 LEU LEU A . n
178
+ A 1 7 SER 7 7 7 SER SER A . n
179
+ A 1 8 LYS 8 8 8 LYS LYS A . n
180
+ A 1 9 LEU 9 9 9 LEU LEU A . n
181
+ A 1 10 LEU 10 10 10 LEU LEU A . n
182
+ A 1 11 ALA 11 11 11 ALA ALA A . n
183
+ A 1 12 ASN 12 12 12 ASN ASN A . n
184
+ A 1 13 VAL 13 13 13 VAL VAL A . n
185
+ A 1 14 LYS 14 14 14 LYS LYS A . n
186
+ A 1 15 ILE 15 15 15 ILE ILE A . n
187
+ A 1 16 ASP 16 16 16 ASP ASP A . n
188
+ A 1 17 PRO 17 17 17 PRO PRO A . n
189
+ A 1 18 SER 18 18 18 SER SER A . n
190
+ A 1 19 LEU 19 19 19 LEU LEU A . n
191
+ A 1 20 THR 20 20 20 THR THR A . n
192
+ A 1 21 SER 21 21 21 SER SER A . n
193
+ A 1 22 ARG 22 22 22 ARG ARG A . n
194
+ A 1 23 ILE 23 23 23 ILE ILE A . n
195
+ A 1 24 SER 24 24 24 SER SER A . n
196
+ A 1 25 GLN 25 25 25 GLN GLN A . n
197
+ A 1 26 ILE 26 26 26 ILE ILE A . n
198
+ A 1 27 ASP 27 27 27 ASP ASP A . n
199
+ A 1 28 SER 28 28 28 SER SER A . n
200
+ A 1 29 PHE 29 29 29 PHE PHE A . n
201
+ A 1 30 LYS 30 30 30 LYS LYS A . n
202
+ A 1 31 LEU 31 31 31 LEU LEU A . n
203
+ A 1 32 SER 32 32 32 SER SER A . n
204
+ A 1 33 GLU 33 33 33 GLU GLU A . n
205
+ A 1 34 LEU 34 34 34 LEU LEU A . n
206
+ A 1 35 MET 35 35 35 MET MET A . n
207
+ A 1 36 VAL 36 36 36 VAL VAL A . n
208
+ A 1 37 LEU 37 37 37 LEU LEU A . n
209
+ A 1 38 LYS 38 38 38 LYS LYS A . n
210
+ A 1 39 THR 39 39 39 THR THR A . n
211
+ A 1 40 ASP 40 40 40 ASP ASP A . n
212
+ A 1 41 ILE 41 41 41 ILE ILE A . n
213
+ A 1 42 GLU 42 42 42 GLU GLU A . n
214
+ A 1 43 THR 43 43 43 THR THR A . n
215
+ A 1 44 GLN 44 44 44 GLN GLN A . n
216
+ A 1 45 LEU 45 45 45 LEU LEU A . n
217
+ A 1 46 GLU 46 46 46 GLU GLU A . n
218
+ A 1 47 ALA 47 47 47 ALA ALA A . n
219
+ A 1 48 TYR 48 48 48 TYR TYR A . n
220
+ A 1 49 PHE 49 49 49 PHE PHE A . n
221
+ A 1 50 SER 50 50 50 SER SER A . n
222
+ A 1 51 VAL 51 51 51 VAL VAL A . n
223
+ A 1 52 LEU 52 52 52 LEU LEU A . n
224
+ A 1 53 GLU 53 53 53 GLU GLU A . n
225
+ A 1 54 GLN 54 54 54 GLN GLN A . n
226
+ A 1 55 GLN 55 55 55 GLN GLN A . n
227
+ A 1 56 GLY 56 56 56 GLY GLY A . n
228
+ A 1 57 ILE 57 57 57 ILE ILE A . n
229
+ A 1 58 GLY 58 58 58 GLY GLY A . n
230
+ A 1 59 MET 59 59 59 MET MET A . n
231
+ A 1 60 ASP 60 60 60 ASP ASP A . n
232
+ A 1 61 SER 61 61 61 SER SER A . n
233
+ A 1 62 ALA 62 62 62 ALA ALA A . n
234
+ A 1 63 TYR 63 63 63 TYR TYR A . n
235
+ A 1 64 PRO 64 64 64 PRO PRO A . n
236
+ A 1 65 ARG 65 65 65 ARG ARG A . n
237
+ A 1 66 SER 66 66 66 SER SER A . n
238
+ A 1 67 ASP 67 67 67 ASP ASP A . n
239
+ A 1 68 VAL 68 68 68 VAL VAL A . n
240
+ A 1 69 ASP 69 69 69 ASP ASP A . n
241
+ A 1 70 VAL 70 70 70 VAL VAL A . n
242
+ A 1 71 LEU 71 71 71 LEU LEU A . n
243
+ A 1 72 GLN 72 72 72 GLN GLN A . n
244
+ A 1 73 VAL 73 73 73 VAL VAL A . n
245
+ A 1 74 THR 74 74 74 THR THR A . n
246
+ A 1 75 MET 75 75 75 MET MET A . n
247
+ A 1 76 ILE 76 76 76 ILE ILE A . n
248
+ A 1 77 ARG 77 77 77 ARG ARG A . n
249
+ A 1 78 LYS 78 78 78 LYS LYS A . n
250
+ A 1 79 ASN 79 79 79 ASN ASN A . n
251
+ A 1 80 VAL 80 80 80 VAL VAL A . n
252
+ A 1 81 ASN 81 81 81 ASN ASN A . n
253
+ A 1 82 MET 82 82 82 MET MET A . n
254
+ A 1 83 LEU 83 83 83 LEU LEU A . n
255
+ A 1 84 LYS 84 84 84 LYS LYS A . n
256
+ A 1 85 ASN 85 85 85 ASN ASN A . n
257
+ A 1 86 ASP 86 86 86 ASP ASP A . n
258
+ A 1 87 LEU 87 87 87 LEU LEU A . n
259
+ A 1 88 ASN 88 88 88 ASN ASN A . n
260
+ A 1 89 HIS 89 89 89 HIS HIS A . n
261
+ A 1 90 LEU 90 90 90 LEU LEU A . n
262
+ A 1 91 LEU 91 91 91 LEU LEU A . n
263
+ A 1 92 GLN 92 92 92 GLN GLN A . n
264
+ A 1 93 ARG 93 93 93 ARG ARG A . n
265
+ A 1 94 SER 94 94 94 SER SER A . n
266
+ A 1 95 HIS 95 95 95 HIS HIS A . n
267
+ A 1 96 VAL 96 96 96 VAL VAL A . n
268
+ A 1 97 LEU 97 97 97 LEU LEU A . n
269
+ A 1 98 LEU 98 98 98 LEU LEU A . n
270
+ A 1 99 ASN 99 99 99 ASN ASN A . n
271
+ A 1 100 GLN 100 100 100 GLN GLN A . n
272
+ A 1 101 HIS 101 101 101 HIS HIS A . n
273
+ A 1 102 PHE 102 102 102 PHE PHE A . n
274
+ A 1 103 ASP 103 103 103 ASP ASP A . n
275
+ A 1 104 ASN 104 104 104 ASN ASN A . n
276
+ A 1 105 MET 105 105 105 MET MET A . n
277
+ A 1 106 ASN 106 106 106 ASN ASN A . n
278
+ A 1 107 VAL 107 107 107 VAL VAL A . n
279
+ A 1 108 LYS 108 108 108 LYS LYS A . n
280
+ A 1 109 SER 109 109 109 SER SER A . n
281
+ A 1 110 ASN 110 110 110 ASN ASN A . n
282
+ A 1 111 GLN 111 111 111 GLN GLN A . n
283
+ #
284
+ loop_
285
+ _chem_comp.id
286
+ _chem_comp.type
287
+ _chem_comp.mon_nstd_flag
288
+ _chem_comp.name
289
+ _chem_comp.pdbx_synonyms
290
+ _chem_comp.formula
291
+ _chem_comp.formula_weight
292
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
293
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
294
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
295
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
296
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
297
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
298
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
299
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
300
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
301
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
302
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
303
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
304
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
305
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
306
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
307
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
308
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
309
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
310
+ #
311
+ _struct_asym.id A
312
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
313
+ _struct_asym.pdbx_modified N
314
+ _struct_asym.entity_id 1
315
+ _struct_asym.details ?
316
+ #
317
+ _atom_sites.entry_id 3WHJ_A
318
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
319
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
320
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
321
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
322
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
323
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
324
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
325
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
326
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
327
+ _atom_sites.fract_transf_vector[1] 0.00000
328
+ _atom_sites.fract_transf_vector[2] 0.00000
329
+ _atom_sites.fract_transf_vector[3] 0.00000
330
+ #
331
+ loop_
332
+ _pdbx_validate_rmsd_angle.id
333
+ _pdbx_validate_rmsd_angle.PDB_model_num
334
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
335
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
336
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
337
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
338
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
339
+ _pdbx_validate_rmsd_angle.label_alt_id_1
340
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
341
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
342
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
343
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
344
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
345
+ _pdbx_validate_rmsd_angle.label_alt_id_2
346
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
347
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
348
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
349
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
350
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
351
+ _pdbx_validate_rmsd_angle.label_alt_id_3
352
+ _pdbx_validate_rmsd_angle.angle_value
353
+ _pdbx_validate_rmsd_angle.angle_target_value
354
+ _pdbx_validate_rmsd_angle.angle_deviation
355
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
356
+ _pdbx_validate_rmsd_angle.linker_flag
357
+ 1 1 CB A ASP 69 ? ? CG A ASP 69 ? ? OD1 A ASP 69 ? ? 124.98 118.30 6.68 0.90 N
358
+ 2 1 CB A ASP 69 ? ? CG A ASP 69 ? ? OD2 A ASP 69 ? ? 112.24 118.30 -6.06 0.90 N
359
+ #
360
+ _pdbx_validate_peptide_omega.id 1
361
+ _pdbx_validate_peptide_omega.PDB_model_num 1
362
+ _pdbx_validate_peptide_omega.auth_comp_id_1 ASN
363
+ _pdbx_validate_peptide_omega.auth_asym_id_1 A
364
+ _pdbx_validate_peptide_omega.auth_seq_id_1 110
365
+ _pdbx_validate_peptide_omega.PDB_ins_code_1 ?
366
+ _pdbx_validate_peptide_omega.label_alt_id_1 ?
367
+ _pdbx_validate_peptide_omega.auth_comp_id_2 GLN
368
+ _pdbx_validate_peptide_omega.auth_asym_id_2 A
369
+ _pdbx_validate_peptide_omega.auth_seq_id_2 111
370
+ _pdbx_validate_peptide_omega.PDB_ins_code_2 ?
371
+ _pdbx_validate_peptide_omega.label_alt_id_2 ?
372
+ _pdbx_validate_peptide_omega.omega 148.29
373
+ #
374
+ _pdbx_validate_polymer_linkage.id 1
375
+ _pdbx_validate_polymer_linkage.PDB_model_num 1
376
+ _pdbx_validate_polymer_linkage.auth_atom_id_1 C
377
+ _pdbx_validate_polymer_linkage.auth_asym_id_1 A
378
+ _pdbx_validate_polymer_linkage.auth_comp_id_1 ALA
379
+ _pdbx_validate_polymer_linkage.auth_seq_id_1 62
380
+ _pdbx_validate_polymer_linkage.PDB_ins_code_1 ?
381
+ _pdbx_validate_polymer_linkage.label_alt_id_1 ?
382
+ _pdbx_validate_polymer_linkage.auth_atom_id_2 N
383
+ _pdbx_validate_polymer_linkage.auth_asym_id_2 A
384
+ _pdbx_validate_polymer_linkage.auth_comp_id_2 TYR
385
+ _pdbx_validate_polymer_linkage.auth_seq_id_2 63
386
+ _pdbx_validate_polymer_linkage.PDB_ins_code_2 ?
387
+ _pdbx_validate_polymer_linkage.label_alt_id_2 ?
388
+ _pdbx_validate_polymer_linkage.dist 10.08
389
+ #
390
+ loop_
391
+ _atom_type.symbol
392
+ C
393
+ N
394
+ O
395
+ S
396
+ #
397
+ _entry.id 3WHJ_A
398
+ #
399
+ loop_
400
+ _atom_site.group_PDB
401
+ _atom_site.id
402
+ _atom_site.type_symbol
403
+ _atom_site.label_atom_id
404
+ _atom_site.label_alt_id
405
+ _atom_site.label_comp_id
406
+ _atom_site.label_asym_id
407
+ _atom_site.label_entity_id
408
+ _atom_site.label_seq_id
409
+ _atom_site.pdbx_PDB_ins_code
410
+ _atom_site.Cartn_x
411
+ _atom_site.Cartn_y
412
+ _atom_site.Cartn_z
413
+ _atom_site.occupancy
414
+ _atom_site.B_iso_or_equiv
415
+ _atom_site.pdbx_formal_charge
416
+ _atom_site.auth_seq_id
417
+ _atom_site.auth_comp_id
418
+ _atom_site.auth_asym_id
419
+ _atom_site.auth_atom_id
420
+ _atom_site.pdbx_PDB_model_num
421
+ ATOM 1 N N . MET A 1 1 ? -4.849 89.472 8.448 1.00 61.79 ? 1 MET A N 1
422
+ ATOM 2 C CA . MET A 1 1 ? -5.542 88.945 7.232 1.00 50.86 ? 1 MET A CA 1
423
+ ATOM 3 C C . MET A 1 1 ? -5.928 87.476 7.377 1.00 39.56 ? 1 MET A C 1
424
+ ATOM 4 O O . MET A 1 1 ? -5.133 86.610 7.771 1.00 46.85 ? 1 MET A O 1
425
+ ATOM 5 C CB . MET A 1 1 ? -4.709 89.141 5.963 1.00 47.90 ? 1 MET A CB 1
426
+ ATOM 6 C CG . MET A 1 1 ? -5.068 88.214 4.798 1.00 46.86 ? 1 MET A CG 1
427
+ ATOM 7 S SD . MET A 1 1 ? -6.402 88.799 3.723 1.00 70.13 ? 1 MET A SD 1
428
+ ATOM 8 C CE . MET A 1 1 ? -5.631 88.571 2.124 1.00 63.88 ? 1 MET A CE 1
429
+ ATOM 9 N N . GLU A 1 2 ? -7.146 87.211 6.942 1.00 46.28 ? 2 GLU A N 1
430
+ ATOM 10 C CA . GLU A 1 2 ? -7.800 85.944 7.155 1.00 38.39 ? 2 GLU A CA 1
431
+ ATOM 11 C C . GLU A 1 2 ? -7.169 84.836 6.300 1.00 32.14 ? 2 GLU A C 1
432
+ ATOM 12 O O . GLU A 1 2 ? -6.926 83.720 6.781 1.00 35.84 ? 2 GLU A O 1
433
+ ATOM 13 C CB . GLU A 1 2 ? -9.291 86.119 6.842 1.00 40.24 ? 2 GLU A CB 1
434
+ ATOM 14 C CG . GLU A 1 2 ? -10.022 87.072 7.794 1.00 38.62 ? 2 GLU A CG 1
435
+ ATOM 15 C CD . GLU A 1 2 ? -9.832 88.564 7.517 1.00 34.95 ? 2 GLU A CD 1
436
+ ATOM 16 O OE1 . GLU A 1 2 ? -9.082 88.952 6.581 1.00 48.36 ? 2 GLU A OE1 1
437
+ ATOM 17 O OE2 . GLU A 1 2 ? -10.472 89.374 8.230 1.00 40.80 ? 2 GLU A OE2 1
438
+ ATOM 18 N N . GLU A 1 3 ? -6.904 85.138 5.033 1.00 36.12 ? 3 GLU A N 1
439
+ ATOM 19 C CA . GLU A 1 3 ? -6.261 84.163 4.152 1.00 41.80 ? 3 GLU A CA 1
440
+ ATOM 20 C C . GLU A 1 3 ? -4.841 83.735 4.607 1.00 44.04 ? 3 GLU A C 1
441
+ ATOM 21 O O . GLU A 1 3 ? -4.497 82.545 4.573 1.00 43.68 ? 3 GLU A O 1
442
+ ATOM 22 C CB . GLU A 1 3 ? -6.257 84.692 2.724 1.00 43.16 ? 3 GLU A CB 1
443
+ ATOM 23 C CG . GLU A 1 3 ? -7.651 84.618 2.103 1.00 49.70 ? 3 GLU A CG 1
444
+ ATOM 24 C CD . GLU A 1 3 ? -7.827 85.449 0.847 1.00 62.71 ? 3 GLU A CD 1
445
+ ATOM 25 O OE1 . GLU A 1 3 ? -7.136 86.480 0.691 1.00 64.17 ? 3 GLU A OE1 1
446
+ ATOM 26 O OE2 . GLU A 1 3 ? -8.686 85.070 0.022 1.00 66.08 ? 3 GLU A OE2 1
447
+ ATOM 27 N N . GLU A 1 4 ? -4.040 84.691 5.068 1.00 46.39 ? 4 GLU A N 1
448
+ ATOM 28 C CA . GLU A 1 4 ? -2.676 84.397 5.526 1.00 46.71 ? 4 GLU A CA 1
449
+ ATOM 29 C C . GLU A 1 4 ? -2.636 83.615 6.851 1.00 37.70 ? 4 GLU A C 1
450
+ ATOM 30 O O . GLU A 1 4 ? -1.852 82.668 6.975 1.00 52.37 ? 4 GLU A O 1
451
+ ATOM 31 C CB . GLU A 1 4 ? -1.826 85.680 5.610 1.00 56.30 ? 4 GLU A CB 1
452
+ ATOM 32 C CG . GLU A 1 4 ? -1.315 86.166 4.251 1.00 60.02 ? 4 GLU A CG 1
453
+ ATOM 33 C CD . GLU A 1 4 ? -0.325 87.327 4.344 1.00 72.42 ? 4 GLU A CD 1
454
+ ATOM 34 O OE1 . GLU A 1 4 ? 0.709 87.195 5.046 1.00 73.12 ? 4 GLU A OE1 1
455
+ ATOM 35 O OE2 . GLU A 1 4 ? -0.572 88.373 3.695 1.00 90.55 ? 4 GLU A OE2 1
456
+ ATOM 36 N N . GLU A 1 5 ? -3.475 83.991 7.824 1.00 42.99 ? 5 GLU A N 1
457
+ ATOM 37 C CA . GLU A 1 5 ? -3.617 83.215 9.072 1.00 44.72 ? 5 GLU A CA 1
458
+ ATOM 38 C C . GLU A 1 5 ? -3.997 81.745 8.751 1.00 44.37 ? 5 GLU A C 1
459
+ ATOM 39 O O . GLU A 1 5 ? -3.521 80.805 9.416 1.00 40.10 ? 5 GLU A O 1
460
+ ATOM 40 C CB . GLU A 1 5 ? -4.669 83.847 10.019 1.00 49.76 ? 5 GLU A CB 1
461
+ ATOM 41 C CG . GLU A 1 5 ? -4.329 85.235 10.565 1.00 52.33 ? 5 GLU A CG 1
462
+ ATOM 42 C CD . GLU A 1 5 ? -5.311 85.760 11.628 1.00 63.21 ? 5 GLU A CD 1
463
+ ATOM 43 O OE1 . GLU A 1 5 ? -6.565 85.696 11.477 1.00 53.66 ? 5 GLU A OE1 1
464
+ ATOM 44 O OE2 . GLU A 1 5 ? -4.810 86.282 12.643 1.00 69.70 ? 5 GLU A OE2 1
465
+ ATOM 45 N N . LEU A 1 6 ? -4.838 81.561 7.725 1.00 39.18 ? 6 LEU A N 1
466
+ ATOM 46 C CA . LEU A 1 6 ? -5.322 80.233 7.346 1.00 33.43 ? 6 LEU A CA 1
467
+ ATOM 47 C C . LEU A 1 6 ? -4.251 79.404 6.638 1.00 36.78 ? 6 LEU A C 1
468
+ ATOM 48 O O . LEU A 1 6 ? -4.153 78.204 6.850 1.00 38.30 ? 6 LEU A O 1
469
+ ATOM 49 C CB . LEU A 1 6 ? -6.578 80.321 6.456 1.00 30.71 ? 6 LEU A CB 1
470
+ ATOM 50 C CG . LEU A 1 6 ? -7.250 78.970 6.170 1.00 28.71 ? 6 LEU A CG 1
471
+ ATOM 51 C CD1 . LEU A 1 6 ? -7.428 78.173 7.462 1.00 30.89 ? 6 LEU A CD1 1
472
+ ATOM 52 C CD2 . LEU A 1 6 ? -8.582 79.114 5.444 1.00 27.76 ? 6 LEU A CD2 1
473
+ ATOM 53 N N . SER A 1 7 ? -3.446 80.035 5.793 1.00 46.82 ? 7 SER A N 1
474
+ ATOM 54 C CA . SER A 1 7 ? -2.312 79.333 5.169 1.00 46.04 ? 7 SER A CA 1
475
+ ATOM 55 C C . SER A 1 7 ? -1.314 78.797 6.194 1.00 39.81 ? 7 SER A C 1
476
+ ATOM 56 O O . SER A 1 7 ? -0.803 77.700 6.034 1.00 55.05 ? 7 SER A O 1
477
+ ATOM 57 C CB . SER A 1 7 ? -1.600 80.240 4.177 1.00 45.55 ? 7 SER A CB 1
478
+ ATOM 58 O OG . SER A 1 7 ? -2.446 80.481 3.076 1.00 54.04 ? 7 SER A OG 1
479
+ ATOM 59 N N . LYS A 1 8 ? -1.053 79.565 7.250 1.00 49.07 ? 8 LYS A N 1
480
+ ATOM 60 C CA . LYS A 1 8 ? -0.136 79.124 8.309 1.00 51.30 ? 8 LYS A CA 1
481
+ ATOM 61 C C . LYS A 1 8 ? -0.763 77.967 9.056 1.00 47.65 ? 8 LYS A C 1
482
+ ATOM 62 O O . LYS A 1 8 ? -0.101 76.963 9.363 1.00 56.52 ? 8 LYS A O 1
483
+ ATOM 63 C CB . LYS A 1 8 ? 0.178 80.230 9.332 1.00 58.97 ? 8 LYS A CB 1
484
+ ATOM 64 C CG . LYS A 1 8 ? 0.423 81.635 8.793 1.00 68.31 ? 8 LYS A CG 1
485
+ ATOM 65 C CD . LYS A 1 8 ? 1.418 81.710 7.635 1.00 70.42 ? 8 LYS A CD 1
486
+ ATOM 66 C CE . LYS A 1 8 ? 1.562 83.139 7.120 1.00 67.77 ? 8 LYS A CE 1
487
+ ATOM 67 N NZ . LYS A 1 8 ? 1.911 84.120 8.192 1.00 72.34 ? 8 LYS A NZ 1
488
+ ATOM 68 N N . LEU A 1 9 ? -2.041 78.130 9.378 1.00 46.78 ? 9 LEU A N 1
489
+ ATOM 69 C CA . LEU A 1 9 ? -2.770 77.082 10.051 1.00 45.86 ? 9 LEU A CA 1
490
+ ATOM 70 C C . LEU A 1 9 ? -2.561 75.804 9.245 1.00 47.14 ? 9 LEU A C 1
491
+ ATOM 71 O O . LEU A 1 9 ? -2.136 74.799 9.795 1.00 52.20 ? 9 LEU A O 1
492
+ ATOM 72 C CB . LEU A 1 9 ? -4.260 77.422 10.162 1.00 56.10 ? 9 LEU A CB 1
493
+ ATOM 73 C CG . LEU A 1 9 ? -5.152 76.552 11.061 1.00 53.60 ? 9 LEU A CG 1
494
+ ATOM 74 C CD1 . LEU A 1 9 ? -5.066 77.008 12.511 1.00 46.68 ? 9 LEU A CD1 1
495
+ ATOM 75 C CD2 . LEU A 1 9 ? -6.609 76.590 10.612 1.00 57.28 ? 9 LEU A CD2 1
496
+ ATOM 76 N N . LEU A 1 10 ? -2.795 75.875 7.930 1.00 41.26 ? 10 LEU A N 1
497
+ ATOM 77 C CA . LEU A 1 10 ? -2.883 74.666 7.126 1.00 33.39 ? 10 LEU A CA 1
498
+ ATOM 78 C C . LEU A 1 10 ? -1.564 74.049 6.698 1.00 41.34 ? 10 LEU A C 1
499
+ ATOM 79 O O . LEU A 1 10 ? -1.419 72.819 6.729 1.00 38.40 ? 10 LEU A O 1
500
+ ATOM 80 C CB . LEU A 1 10 ? -3.717 74.923 5.877 1.00 31.33 ? 10 LEU A CB 1
501
+ ATOM 81 C CG . LEU A 1 10 ? -5.202 75.123 6.126 1.00 37.92 ? 10 LEU A CG 1
502
+ ATOM 82 C CD1 . LEU A 1 10 ? -5.868 75.531 4.831 1.00 44.11 ? 10 LEU A CD1 1
503
+ ATOM 83 C CD2 . LEU A 1 10 ? -5.828 73.856 6.686 1.00 43.54 ? 10 LEU A CD2 1
504
+ ATOM 84 N N . ALA A 1 11 ? -0.620 74.888 6.274 1.00 49.82 ? 11 ALA A N 1
505
+ ATOM 85 C CA . ALA A 1 11 ? 0.687 74.411 5.805 1.00 51.83 ? 11 ALA A CA 1
506
+ ATOM 86 C C . ALA A 1 11 ? 1.430 73.651 6.899 1.00 56.81 ? 11 ALA A C 1
507
+ ATOM 87 O O . ALA A 1 11 ? 2.354 72.884 6.602 1.00 61.26 ? 11 ALA A O 1
508
+ ATOM 88 C CB . ALA A 1 11 ? 1.535 75.573 5.306 1.00 56.39 ? 11 ALA A CB 1
509
+ ATOM 89 N N . ASN A 1 12 ? 1.027 73.888 8.150 1.00 46.51 ? 12 ASN A N 1
510
+ ATOM 90 C CA . ASN A 1 12 ? 1.545 73.183 9.319 1.00 50.07 ? 12 ASN A CA 1
511
+ ATOM 91 C C . ASN A 1 12 ? 0.663 72.015 9.808 1.00 44.64 ? 12 ASN A C 1
512
+ ATOM 92 O O . ASN A 1 12 ? 1.038 71.308 10.754 1.00 54.05 ? 12 ASN A O 1
513
+ ATOM 93 C CB . ASN A 1 12 ? 1.741 74.180 10.461 1.00 55.99 ? 12 ASN A CB 1
514
+ ATOM 94 C CG . ASN A 1 12 ? 2.943 75.097 10.249 1.00 67.71 ? 12 ASN A CG 1
515
+ ATOM 95 O OD1 . ASN A 1 12 ? 3.847 74.800 9.464 1.00 63.75 ? 12 ASN A OD1 1
516
+ ATOM 96 N ND2 . ASN A 1 12 ? 2.962 76.215 10.965 1.00 78.25 ? 12 ASN A ND2 1
517
+ ATOM 97 N N . VAL A 1 13 ? -0.502 71.841 9.182 1.00 38.48 ? 13 VAL A N 1
518
+ ATOM 98 C CA . VAL A 1 13 ? -1.362 70.667 9.373 1.00 35.16 ? 13 VAL A CA 1
519
+ ATOM 99 C C . VAL A 1 13 ? -0.905 69.627 8.354 1.00 33.78 ? 13 VAL A C 1
520
+ ATOM 100 O O . VAL A 1 13 ? -1.273 69.673 7.163 1.00 36.20 ? 13 VAL A O 1
521
+ ATOM 101 C CB . VAL A 1 13 ? -2.857 71.004 9.169 1.00 35.28 ? 13 VAL A CB 1
522
+ ATOM 102 C CG1 . VAL A 1 13 ? -3.725 69.758 9.242 1.00 37.71 ? 13 VAL A CG1 1
523
+ ATOM 103 C CG2 . VAL A 1 13 ? -3.313 72.026 10.199 1.00 41.55 ? 13 VAL A CG2 1
524
+ ATOM 104 N N . LYS A 1 14 ? -0.069 68.717 8.830 1.00 35.67 ? 14 LYS A N 1
525
+ ATOM 105 C CA . LYS A 1 14 ? 0.689 67.843 7.987 1.00 36.33 ? 14 LYS A CA 1
526
+ ATOM 106 C C . LYS A 1 14 ? 0.938 66.534 8.719 1.00 29.25 ? 14 LYS A C 1
527
+ ATOM 107 O O . LYS A 1 14 ? 0.877 66.470 9.933 1.00 35.35 ? 14 LYS A O 1
528
+ ATOM 108 C CB . LYS A 1 14 ? 2.009 68.516 7.598 1.00 37.87 ? 14 LYS A CB 1
529
+ ATOM 109 C CG . LYS A 1 14 ? 2.951 68.800 8.761 1.00 42.63 ? 14 LYS A CG 1
530
+ ATOM 110 C CD . LYS A 1 14 ? 4.291 69.362 8.294 1.00 59.90 ? 14 LYS A CD 1
531
+ ATOM 111 C CE . LYS A 1 14 ? 4.151 70.753 7.704 1.00 65.59 ? 14 LYS A CE 1
532
+ ATOM 112 N NZ . LYS A 1 14 ? 5.437 71.503 7.707 1.00 78.93 ? 14 LYS A NZ 1
533
+ ATOM 113 N N . ILE A 1 15 ? 1.209 65.494 7.952 1.00 31.19 ? 15 ILE A N 1
534
+ ATOM 114 C CA . ILE A 1 15 ? 1.498 64.159 8.456 1.00 31.96 ? 15 ILE A CA 1
535
+ ATOM 115 C C . ILE A 1 15 ? 2.892 63.826 7.960 1.00 25.19 ? 15 ILE A C 1
536
+ ATOM 116 O O . ILE A 1 15 ? 3.249 64.168 6.804 1.00 30.94 ? 15 ILE A O 1
537
+ ATOM 117 C CB . ILE A 1 15 ? 0.438 63.161 7.949 1.00 32.66 ? 15 ILE A CB 1
538
+ ATOM 118 C CG1 . ILE A 1 15 ? -0.938 63.567 8.493 1.00 35.87 ? 15 ILE A CG1 1
539
+ ATOM 119 C CG2 . ILE A 1 15 ? 0.793 61.716 8.298 1.00 30.28 ? 15 ILE A CG2 1
540
+ ATOM 120 C CD1 . ILE A 1 15 ? -2.097 62.790 7.929 1.00 34.31 ? 15 ILE A CD1 1
541
+ ATOM 121 N N . ASP A 1 16 ? 3.680 63.193 8.832 1.00 28.21 ? 16 ASP A N 1
542
+ ATOM 122 C CA . ASP A 1 16 ? 5.042 62.800 8.510 1.00 28.51 ? 16 ASP A CA 1
543
+ ATOM 123 C C . ASP A 1 16 ? 5.022 62.053 7.182 1.00 28.17 ? 16 ASP A C 1
544
+ ATOM 124 O O . ASP A 1 16 ? 4.376 60.999 7.069 1.00 27.41 ? 16 ASP A O 1
545
+ ATOM 125 C CB . ASP A 1 16 ? 5.601 61.893 9.609 1.00 32.55 ? 16 ASP A CB 1
546
+ ATOM 126 C CG . ASP A 1 16 ? 7.055 61.509 9.398 1.00 47.08 ? 16 ASP A CG 1
547
+ ATOM 127 O OD1 . ASP A 1 16 ? 7.559 61.541 8.269 1.00 51.48 ? 16 ASP A OD1 1
548
+ ATOM 128 O OD2 . ASP A 1 16 ? 7.710 61.143 10.388 1.00 72.57 ? 16 ASP A OD2 1
549
+ ATOM 129 N N . PRO A 1 17 ? 5.689 62.601 6.149 1.00 29.88 ? 17 PRO A N 1
550
+ ATOM 130 C CA . PRO A 1 17 ? 5.718 61.900 4.866 1.00 27.36 ? 17 PRO A CA 1
551
+ ATOM 131 C C . PRO A 1 17 ? 6.304 60.496 4.905 1.00 24.18 ? 17 PRO A C 1
552
+ ATOM 132 O O . PRO A 1 17 ? 5.863 59.649 4.137 1.00 24.50 ? 17 PRO A O 1
553
+ ATOM 133 C CB . PRO A 1 17 ? 6.598 62.801 3.986 1.00 31.56 ? 17 PRO A CB 1
554
+ ATOM 134 C CG . PRO A 1 17 ? 6.459 64.148 4.567 1.00 33.17 ? 17 PRO A CG 1
555
+ ATOM 135 C CD . PRO A 1 17 ? 6.327 63.925 6.056 1.00 33.75 ? 17 PRO A CD 1
556
+ ATOM 136 N N . SER A 1 18 ? 7.300 60.264 5.762 1.00 26.23 ? 18 SER A N 1
557
+ ATOM 137 C CA . SER A 1 18 ? 7.924 58.970 5.893 1.00 26.82 ? 18 SER A CA 1
558
+ ATOM 138 C C . SER A 1 18 ? 6.885 57.954 6.351 1.00 24.38 ? 18 SER A C 1
559
+ ATOM 139 O O . SER A 1 18 ? 6.811 56.852 5.813 1.00 26.15 ? 18 SER A O 1
560
+ ATOM 140 C CB . SER A 1 18 ? 9.095 59.037 6.893 1.00 37.67 ? 18 SER A CB 1
561
+ ATOM 141 O OG . SER A 1 18 ? 9.854 57.853 6.834 1.00 45.13 ? 18 SER A OG 1
562
+ ATOM 142 N N . LEU A 1 19 ? 6.075 58.330 7.339 1.00 21.66 ? 19 LEU A N 1
563
+ ATOM 143 C CA . LEU A 1 19 ? 5.023 57.449 7.823 1.00 22.51 ? 19 LEU A CA 1
564
+ ATOM 144 C C . LEU A 1 19 ? 3.990 57.151 6.728 1.00 19.60 ? 19 LEU A C 1
565
+ ATOM 145 O O . LEU A 1 19 ? 3.590 56.005 6.521 1.00 18.88 ? 19 LEU A O 1
566
+ ATOM 146 C CB . LEU A 1 19 ? 4.319 58.081 9.029 1.00 24.79 ? 19 LEU A CB 1
567
+ ATOM 147 C CG . LEU A 1 19 ? 3.359 57.177 9.784 1.00 26.84 ? 19 LEU A CG 1
568
+ ATOM 148 C CD1 . LEU A 1 19 ? 4.145 56.048 10.436 1.00 27.68 ? 19 LEU A CD1 1
569
+ ATOM 149 C CD2 . LEU A 1 19 ? 2.590 57.977 10.820 1.00 32.72 ? 19 LEU A CD2 1
570
+ ATOM 150 N N . THR A 1 20 ? 3.572 58.195 6.036 1.00 18.49 ? 20 THR A N 1
571
+ ATOM 151 C CA . THR A 1 20 ? 2.598 58.052 4.963 1.00 16.96 ? 20 THR A CA 1
572
+ ATOM 152 C C . THR A 1 20 ? 3.111 57.115 3.844 1.00 16.87 ? 20 THR A C 1
573
+ ATOM 153 O O . THR A 1 20 ? 2.398 56.223 3.383 1.00 17.84 ? 20 THR A O 1
574
+ ATOM 154 C CB . THR A 1 20 ? 2.283 59.439 4.375 1.00 19.40 ? 20 THR A CB 1
575
+ ATOM 155 O OG1 . THR A 1 20 ? 1.690 60.261 5.381 1.00 22.98 ? 20 THR A OG1 1
576
+ ATOM 156 C CG2 . THR A 1 20 ? 1.350 59.326 3.102 1.00 22.46 ? 20 THR A CG2 1
577
+ ATOM 157 N N . SER A 1 21 ? 4.363 57.294 3.469 1.00 17.36 ? 21 SER A N 1
578
+ ATOM 158 C CA . SER A 1 21 ? 5.009 56.440 2.468 1.00 18.83 ? 21 SER A CA 1
579
+ ATOM 159 C C . SER A 1 21 ? 5.019 54.973 2.881 1.00 18.18 ? 21 SER A C 1
580
+ ATOM 160 O O . SER A 1 21 ? 4.700 54.080 2.092 1.00 18.89 ? 21 SER A O 1
581
+ ATOM 161 C CB . SER A 1 21 ? 6.444 56.878 2.224 1.00 22.21 ? 21 SER A CB 1
582
+ ATOM 162 O OG . SER A 1 21 ? 7.065 55.998 1.291 1.00 25.30 ? 21 SER A OG 1
583
+ ATOM 163 N N . ARG A 1 22 ? 5.365 54.727 4.143 1.00 18.86 ? 22 ARG A N 1
584
+ ATOM 164 C CA . ARG A 1 22 ? 5.416 53.363 4.648 1.00 18.89 ? 22 ARG A CA 1
585
+ ATOM 165 C C . ARG A 1 22 ? 4.011 52.738 4.715 1.00 16.15 ? 22 ARG A C 1
586
+ ATOM 166 O O . ARG A 1 22 ? 3.804 51.595 4.321 1.00 17.73 ? 22 ARG A O 1
587
+ ATOM 167 C CB . ARG A 1 22 ? 6.136 53.358 6.002 1.00 19.21 ? 22 ARG A CB 1
588
+ ATOM 168 C CG . ARG A 1 22 ? 7.624 53.743 5.869 1.00 21.62 ? 22 ARG A CG 1
589
+ ATOM 169 C CD . ARG A 1 22 ? 8.238 54.108 7.212 1.00 25.51 ? 22 ARG A CD 1
590
+ ATOM 170 N NE . ARG A 1 22 ? 8.313 52.953 8.054 1.00 24.14 ? 22 ARG A NE 1
591
+ ATOM 171 C CZ . ARG A 1 22 ? 8.269 53.002 9.383 1.00 23.76 ? 22 ARG A CZ 1
592
+ ATOM 172 N NH1 . ARG A 1 22 ? 8.124 54.168 10.004 1.00 27.18 ? 22 ARG A NH1 1
593
+ ATOM 173 N NH2 . ARG A 1 22 ? 8.370 51.883 10.066 1.00 27.05 ? 22 ARG A NH2 1
594
+ ATOM 174 N N . ILE A 1 23 ? 3.034 53.504 5.177 1.00 15.25 ? 23 ILE A N 1
595
+ ATOM 175 C CA . ILE A 1 23 ? 1.669 53.036 5.204 1.00 15.63 ? 23 ILE A CA 1
596
+ ATOM 176 C C . ILE A 1 23 ? 1.204 52.660 3.783 1.00 15.31 ? 23 ILE A C 1
597
+ ATOM 177 O O . ILE A 1 23 ? 0.541 51.638 3.595 1.00 15.37 ? 23 ILE A O 1
598
+ ATOM 178 C CB . ILE A 1 23 ? 0.730 54.079 5.857 1.00 16.79 ? 23 ILE A CB 1
599
+ ATOM 179 C CG1 . ILE A 1 23 ? 0.997 54.128 7.387 1.00 17.61 ? 23 ILE A CG1 1
600
+ ATOM 180 C CG2 . ILE A 1 23 ? -0.731 53.755 5.598 1.00 18.30 ? 23 ILE A CG2 1
601
+ ATOM 181 C CD1 . ILE A 1 23 ? 0.437 55.359 8.039 1.00 19.37 ? 23 ILE A CD1 1
602
+ ATOM 182 N N . SER A 1 24 ? 1.619 53.450 2.804 1.00 17.77 ? 24 SER A N 1
603
+ ATOM 183 C CA . SER A 1 24 ? 1.235 53.135 1.416 1.00 15.61 ? 24 SER A CA 1
604
+ ATOM 184 C C . SER A 1 24 ? 1.755 51.783 0.933 1.00 16.76 ? 24 SER A C 1
605
+ ATOM 185 O O . SER A 1 24 ? 1.244 51.242 -0.050 1.00 19.58 ? 24 SER A O 1
606
+ ATOM 186 C CB . SER A 1 24 ? 1.654 54.228 0.425 1.00 19.39 ? 24 SER A CB 1
607
+ ATOM 187 O OG . SER A 1 24 ? 3.026 54.116 0.075 1.00 17.80 ? 24 SER A OG 1
608
+ ATOM 188 N N . GLN A 1 25 ? 2.790 51.279 1.597 1.00 17.80 ? 25 GLN A N 1
609
+ ATOM 189 C CA . GLN A 1 25 ? 3.425 50.030 1.269 1.00 20.80 ? 25 GLN A CA 1
610
+ ATOM 190 C C . GLN A 1 25 ? 3.007 48.844 2.098 1.00 18.39 ? 25 GLN A C 1
611
+ ATOM 191 O O . GLN A 1 25 ? 3.610 47.778 2.000 1.00 16.86 ? 25 GLN A O 1
612
+ ATOM 192 C CB . GLN A 1 25 ? 4.912 50.247 1.325 1.00 25.72 ? 25 GLN A CB 1
613
+ ATOM 193 C CG . GLN A 1 25 ? 5.266 51.141 0.143 1.00 34.11 ? 25 GLN A CG 1
614
+ ATOM 194 C CD . GLN A 1 25 ? 6.704 51.438 0.097 1.00 31.09 ? 25 GLN A CD 1
615
+ ATOM 195 O OE1 . GLN A 1 25 ? 7.449 50.762 -0.591 1.00 43.15 ? 25 GLN A OE1 1
616
+ ATOM 196 N NE2 . GLN A 1 25 ? 7.103 52.492 0.841 1.00 37.21 ? 25 GLN A NE2 1
617
+ ATOM 197 N N . ILE A 1 26 ? 1.922 48.996 2.848 1.00 18.52 ? 26 ILE A N 1
618
+ ATOM 198 C CA . ILE A 1 26 ? 1.402 47.879 3.617 1.00 16.44 ? 26 ILE A CA 1
619
+ ATOM 199 C C . ILE A 1 26 ? 1.291 46.594 2.800 1.00 16.66 ? 26 ILE A C 1
620
+ ATOM 200 O O . ILE A 1 26 ? 1.714 45.525 3.258 1.00 17.63 ? 26 ILE A O 1
621
+ ATOM 201 C CB . ILE A 1 26 ? 0.110 48.247 4.346 1.00 17.97 ? 26 ILE A CB 1
622
+ ATOM 202 C CG1 . ILE A 1 26 ? 0.473 49.095 5.591 1.00 16.18 ? 26 ILE A CG1 1
623
+ ATOM 203 C CG2 . ILE A 1 26 ? -0.649 46.992 4.789 1.00 17.49 ? 26 ILE A CG2 1
624
+ ATOM 204 C CD1 . ILE A 1 26 ? -0.711 49.759 6.207 1.00 18.72 ? 26 ILE A CD1 1
625
+ ATOM 205 N N . ASP A 1 27 ? 0.766 46.690 1.574 1.00 16.72 ? 27 ASP A N 1
626
+ ATOM 206 C CA . ASP A 1 27 ? 0.548 45.507 0.758 1.00 16.69 ? 27 ASP A CA 1
627
+ ATOM 207 C C . ASP A 1 27 ? 1.754 44.969 0.010 1.00 17.62 ? 27 ASP A C 1
628
+ ATOM 208 O O . ASP A 1 27 ? 1.617 43.973 -0.733 1.00 23.68 ? 27 ASP A O 1
629
+ ATOM 209 C CB . ASP A 1 27 ? -0.620 45.748 -0.201 1.00 16.86 ? 27 ASP A CB 1
630
+ ATOM 210 C CG . ASP A 1 27 ? -1.949 45.853 0.543 1.00 16.61 ? 27 ASP A CG 1
631
+ ATOM 211 O OD1 . ASP A 1 27 ? -2.296 44.947 1.358 1.00 22.33 ? 27 ASP A OD1 1
632
+ ATOM 212 O OD2 . ASP A 1 27 ? -2.596 46.906 0.433 1.00 18.42 ? 27 ASP A OD2 1
633
+ ATOM 213 N N . SER A 1 28 ? 2.896 45.633 0.146 1.00 17.90 ? 28 SER A N 1
634
+ ATOM 214 C CA . SER A 1 28 ? 4.145 45.118 -0.402 1.00 21.28 ? 28 SER A CA 1
635
+ ATOM 215 C C . SER A 1 28 ? 5.239 44.774 0.602 1.00 19.88 ? 28 SER A C 1
636
+ ATOM 216 O O . SER A 1 28 ? 6.171 44.046 0.274 1.00 22.69 ? 28 SER A O 1
637
+ ATOM 217 C CB . SER A 1 28 ? 4.683 46.040 -1.508 1.00 27.97 ? 28 SER A CB 1
638
+ ATOM 218 O OG . SER A 1 28 ? 5.018 47.296 -1.009 1.00 32.32 ? 28 SER A OG 1
639
+ ATOM 219 N N . PHE A 1 29 ? 5.094 45.259 1.829 1.00 19.70 ? 29 PHE A N 1
640
+ ATOM 220 C CA . PHE A 1 29 ? 6.080 45.019 2.868 1.00 17.72 ? 29 PHE A CA 1
641
+ ATOM 221 C C . PHE A 1 29 ? 6.136 43.553 3.315 1.00 17.34 ? 29 PHE A C 1
642
+ ATOM 222 O O . PHE A 1 29 ? 5.143 42.836 3.303 1.00 20.08 ? 29 PHE A O 1
643
+ ATOM 223 C CB . PHE A 1 29 ? 5.738 45.836 4.109 1.00 17.75 ? 29 PHE A CB 1
644
+ ATOM 224 C CG . PHE A 1 29 ? 6.289 47.240 4.157 1.00 20.25 ? 29 PHE A CG 1
645
+ ATOM 225 C CD1 . PHE A 1 29 ? 7.208 47.748 3.258 1.00 25.69 ? 29 PHE A CD1 1
646
+ ATOM 226 C CD2 . PHE A 1 29 ? 5.915 48.047 5.231 1.00 24.45 ? 29 PHE A CD2 1
647
+ ATOM 227 C CE1 . PHE A 1 29 ? 7.712 49.034 3.403 1.00 25.68 ? 29 PHE A CE1 1
648
+ ATOM 228 C CE2 . PHE A 1 29 ? 6.410 49.323 5.373 1.00 26.64 ? 29 PHE A CE2 1
649
+ ATOM 229 C CZ . PHE A 1 29 ? 7.310 49.813 4.459 1.00 25.21 ? 29 PHE A CZ 1
650
+ ATOM 230 N N . LYS A 1 30 ? 7.314 43.132 3.747 1.00 19.50 ? 30 LYS A N 1
651
+ ATOM 231 C CA . LYS A 1 30 ? 7.484 41.857 4.440 1.00 19.54 ? 30 LYS A CA 1
652
+ ATOM 232 C C . LYS A 1 30 ? 6.949 42.012 5.871 1.00 17.57 ? 30 LYS A C 1
653
+ ATOM 233 O O . LYS A 1 30 ? 6.839 43.118 6.390 1.00 19.11 ? 30 LYS A O 1
654
+ ATOM 234 C CB . LYS A 1 30 ? 8.979 41.498 4.504 1.00 25.10 ? 30 LYS A CB 1
655
+ ATOM 235 C CG . LYS A 1 30 ? 9.701 41.391 3.158 1.00 29.06 ? 30 LYS A CG 1
656
+ ATOM 236 C CD . LYS A 1 30 ? 11.185 41.066 3.348 1.00 43.64 ? 30 LYS A CD 1
657
+ ATOM 237 C CE . LYS A 1 30 ? 11.841 41.826 4.501 1.00 54.46 ? 30 LYS A CE 1
658
+ ATOM 238 N NZ . LYS A 1 30 ? 13.297 41.537 4.640 1.00 62.56 ? 30 LYS A NZ 1
659
+ ATOM 239 N N . LEU A 1 31 ? 6.632 40.892 6.504 1.00 17.25 ? 31 LEU A N 1
660
+ ATOM 240 C CA . LEU A 1 31 ? 6.213 40.897 7.928 1.00 17.02 ? 31 LEU A CA 1
661
+ ATOM 241 C C . LEU A 1 31 ? 7.106 41.691 8.862 1.00 18.74 ? 31 LEU A C 1
662
+ ATOM 242 O O . LEU A 1 31 ? 6.599 42.459 9.692 1.00 18.81 ? 31 LEU A O 1
663
+ ATOM 243 C CB . LEU A 1 31 ? 6.009 39.480 8.452 1.00 19.71 ? 31 LEU A CB 1
664
+ ATOM 244 C CG . LEU A 1 31 ? 4.665 38.879 8.089 1.00 19.00 ? 31 LEU A CG 1
665
+ ATOM 245 C CD1 . LEU A 1 31 ? 4.638 37.384 8.237 1.00 20.01 ? 31 LEU A CD1 1
666
+ ATOM 246 C CD2 . LEU A 1 31 ? 3.532 39.518 8.873 1.00 20.29 ? 31 LEU A CD2 1
667
+ ATOM 247 N N . SER A 1 32 ? 8.413 41.562 8.733 1.00 19.39 ? 32 SER A N 1
668
+ ATOM 248 C CA . SER A 1 32 ? 9.302 42.309 9.649 1.00 22.85 ? 32 SER A CA 1
669
+ ATOM 249 C C . SER A 1 32 ? 9.101 43.815 9.499 1.00 21.61 ? 32 SER A C 1
670
+ ATOM 250 O O . SER A 1 32 ? 8.999 44.547 10.480 1.00 24.26 ? 32 SER A O 1
671
+ ATOM 251 C CB . SER A 1 32 ? 10.752 41.910 9.461 1.00 27.62 ? 32 SER A CB 1
672
+ ATOM 252 O OG . SER A 1 32 ? 11.198 42.252 8.178 1.00 32.74 ? 32 SER A OG 1
673
+ ATOM 253 N N . GLU A 1 33 ? 8.971 44.275 8.258 1.00 20.00 ? 33 GLU A N 1
674
+ ATOM 254 C CA . GLU A 1 33 ? 8.739 45.683 7.983 1.00 19.61 ? 33 GLU A CA 1
675
+ ATOM 255 C C . GLU A 1 33 ? 7.372 46.138 8.478 1.00 19.01 ? 33 GLU A C 1
676
+ ATOM 256 O O . GLU A 1 33 ? 7.242 47.236 9.018 1.00 19.77 ? 33 GLU A O 1
677
+ ATOM 257 C CB . GLU A 1 33 ? 8.879 45.967 6.490 1.00 20.86 ? 33 GLU A CB 1
678
+ ATOM 258 C CG . GLU A 1 33 ? 10.243 45.639 5.936 1.00 22.82 ? 33 GLU A CG 1
679
+ ATOM 259 C CD . GLU A 1 33 ? 10.259 45.767 4.414 1.00 26.14 ? 33 GLU A CD 1
680
+ ATOM 260 O OE1 . GLU A 1 33 ? 9.507 45.028 3.740 1.00 26.38 ? 33 GLU A OE1 1
681
+ ATOM 261 O OE2 . GLU A 1 33 ? 10.986 46.622 3.895 1.00 33.58 ? 33 GLU A OE2 1
682
+ ATOM 262 N N . LEU A 1 34 ? 6.370 45.287 8.311 1.00 17.63 ? 34 LEU A N 1
683
+ ATOM 263 C CA . LEU A 1 34 ? 5.037 45.580 8.798 1.00 17.72 ? 34 LEU A CA 1
684
+ ATOM 264 C C . LEU A 1 34 ? 5.058 45.738 10.343 1.00 17.25 ? 34 LEU A C 1
685
+ ATOM 265 O O . LEU A 1 34 ? 4.404 46.612 10.868 1.00 17.91 ? 34 LEU A O 1
686
+ ATOM 266 C CB . LEU A 1 34 ? 4.047 44.501 8.423 1.00 17.01 ? 34 LEU A CB 1
687
+ ATOM 267 C CG . LEU A 1 34 ? 3.673 44.522 6.923 1.00 17.00 ? 34 LEU A CG 1
688
+ ATOM 268 C CD1 . LEU A 1 34 ? 3.030 43.187 6.611 1.00 18.28 ? 34 LEU A CD1 1
689
+ ATOM 269 C CD2 . LEU A 1 34 ? 2.777 45.717 6.657 1.00 18.40 ? 34 LEU A CD2 1
690
+ ATOM 270 N N . MET A 1 35 ? 5.817 44.904 11.045 1.00 19.62 ? 35 MET A N 1
691
+ ATOM 271 C CA . MET A 1 35 ? 5.799 44.958 12.524 1.00 18.20 ? 35 MET A CA 1
692
+ ATOM 272 C C . MET A 1 35 ? 6.555 46.172 13.095 1.00 18.82 ? 35 MET A C 1
693
+ ATOM 273 O O . MET A 1 35 ? 6.208 46.686 14.159 1.00 22.14 ? 35 MET A O 1
694
+ ATOM 274 C CB . MET A 1 35 ? 6.292 43.637 13.099 1.00 21.48 ? 35 MET A CB 1
695
+ ATOM 275 C CG . MET A 1 35 ? 5.409 42.446 12.765 1.00 21.24 ? 35 MET A CG 1
696
+ ATOM 276 S SD . MET A 1 35 ? 3.712 42.677 13.278 1.00 24.11 ? 35 MET A SD 1
697
+ ATOM 277 C CE . MET A 1 35 ? 2.685 42.220 11.942 1.00 32.08 ? 35 MET A CE 1
698
+ ATOM 278 N N . VAL A 1 36 ? 7.593 46.623 12.401 1.00 21.94 ? 36 VAL A N 1
699
+ ATOM 279 C CA . VAL A 1 36 ? 8.259 47.873 12.730 1.00 24.90 ? 36 VAL A CA 1
700
+ ATOM 280 C C . VAL A 1 36 ? 7.311 49.055 12.483 1.00 22.00 ? 36 VAL A C 1
701
+ ATOM 281 O O . VAL A 1 36 ? 7.192 49.952 13.342 1.00 23.14 ? 36 VAL A O 1
702
+ ATOM 282 C CB . VAL A 1 36 ? 9.580 48.042 11.963 1.00 27.19 ? 36 VAL A CB 1
703
+ ATOM 283 C CG1 . VAL A 1 36 ? 10.153 49.434 12.183 1.00 29.18 ? 36 VAL A CG1 1
704
+ ATOM 284 C CG2 . VAL A 1 36 ? 10.569 46.949 12.324 1.00 30.53 ? 36 VAL A CG2 1
705
+ ATOM 285 N N . LEU A 1 37 ? 6.626 49.062 11.330 1.00 19.32 ? 37 LEU A N 1
706
+ ATOM 286 C CA . LEU A 1 37 ? 5.619 50.077 11.058 1.00 17.36 ? 37 LEU A CA 1
707
+ ATOM 287 C C . LEU A 1 37 ? 4.507 50.098 12.129 1.00 17.43 ? 37 LEU A C 1
708
+ ATOM 288 O O . LEU A 1 37 ? 4.070 51.170 12.567 1.00 20.13 ? 37 LEU A O 1
709
+ ATOM 289 C CB . LEU A 1 37 ? 5.028 49.917 9.646 1.00 18.65 ? 37 LEU A CB 1
710
+ ATOM 290 C CG . LEU A 1 37 ? 3.924 50.895 9.278 1.00 17.31 ? 37 LEU A CG 1
711
+ ATOM 291 C CD1 . LEU A 1 37 ? 4.418 52.330 9.345 1.00 20.57 ? 37 LEU A CD1 1
712
+ ATOM 292 C CD2 . LEU A 1 37 ? 3.414 50.631 7.851 1.00 18.86 ? 37 LEU A CD2 1
713
+ ATOM 293 N N . LYS A 1 38 ? 4.074 48.914 12.537 1.00 19.23 ? 38 LYS A N 1
714
+ ATOM 294 C CA . LYS A 1 38 ? 3.044 48.739 13.558 1.00 17.18 ? 38 LYS A CA 1
715
+ ATOM 295 C C . LYS A 1 38 ? 3.453 49.499 14.824 1.00 18.37 ? 38 LYS A C 1
716
+ ATOM 296 O O . LYS A 1 38 ? 2.687 50.304 15.368 1.00 20.68 ? 38 LYS A O 1
717
+ ATOM 297 C CB . LYS A 1 38 ? 2.865 47.252 13.881 1.00 16.92 ? 38 LYS A CB 1
718
+ ATOM 298 C CG . LYS A 1 38 ? 1.854 46.970 15.002 1.00 18.51 ? 38 LYS A CG 1
719
+ ATOM 299 C CD . LYS A 1 38 ? 1.874 45.541 15.491 1.00 20.18 ? 38 LYS A CD 1
720
+ ATOM 300 C CE . LYS A 1 38 ? 3.192 45.197 16.155 1.00 21.30 ? 38 LYS A CE 1
721
+ ATOM 301 N NZ . LYS A 1 38 ? 3.471 46.112 17.276 1.00 22.23 ? 38 LYS A NZ 1
722
+ ATOM 302 N N . THR A 1 39 ? 4.682 49.261 15.253 1.00 19.59 ? 39 THR A N 1
723
+ ATOM 303 C CA . THR A 1 39 ? 5.230 49.921 16.436 1.00 22.48 ? 39 THR A CA 1
724
+ ATOM 304 C C . THR A 1 39 ? 5.257 51.425 16.269 1.00 21.79 ? 39 THR A C 1
725
+ ATOM 305 O O . THR A 1 39 ? 4.879 52.167 17.190 1.00 23.00 ? 39 THR A O 1
726
+ ATOM 306 C CB . THR A 1 39 ? 6.635 49.397 16.754 1.00 22.74 ? 39 THR A CB 1
727
+ ATOM 307 O OG1 . THR A 1 39 ? 6.526 48.013 17.131 1.00 24.96 ? 39 THR A OG1 1
728
+ ATOM 308 C CG2 . THR A 1 39 ? 7.287 50.206 17.895 1.00 24.60 ? 39 THR A CG2 1
729
+ ATOM 309 N N . ASP A 1 40 ? 5.673 51.882 15.093 1.00 20.30 ? 40 ASP A N 1
730
+ ATOM 310 C CA . ASP A 1 40 ? 5.742 53.311 14.848 1.00 22.79 ? 40 ASP A CA 1
731
+ ATOM 311 C C . ASP A 1 40 ? 4.361 53.979 14.807 1.00 21.06 ? 40 ASP A C 1
732
+ ATOM 312 O O . ASP A 1 40 ? 4.196 55.087 15.340 1.00 22.52 ? 40 ASP A O 1
733
+ ATOM 313 C CB . ASP A 1 40 ? 6.535 53.599 13.581 1.00 23.34 ? 40 ASP A CB 1
734
+ ATOM 314 C CG . ASP A 1 40 ? 8.012 53.198 13.693 1.00 23.59 ? 40 ASP A CG 1
735
+ ATOM 315 O OD1 . ASP A 1 40 ? 8.526 53.016 14.825 1.00 28.37 ? 40 ASP A OD1 1
736
+ ATOM 316 O OD2 . ASP A 1 40 ? 8.673 53.074 12.628 1.00 27.44 ? 40 ASP A OD2 1
737
+ ATOM 317 N N . ILE A 1 41 ? 3.373 53.315 14.208 1.00 18.72 ? 41 ILE A N 1
738
+ ATOM 318 C CA . ILE A 1 41 ? 1.994 53.796 14.274 1.00 19.13 ? 41 ILE A CA 1
739
+ ATOM 319 C C . ILE A 1 41 ? 1.520 53.836 15.730 1.00 18.79 ? 41 ILE A C 1
740
+ ATOM 320 O O . ILE A 1 41 ? 0.892 54.804 16.139 1.00 20.20 ? 41 ILE A O 1
741
+ ATOM 321 C CB . ILE A 1 41 ? 1.035 52.950 13.442 1.00 18.55 ? 41 ILE A CB 1
742
+ ATOM 322 C CG1 . ILE A 1 41 ? 1.355 53.156 11.965 1.00 18.10 ? 41 ILE A CG1 1
743
+ ATOM 323 C CG2 . ILE A 1 41 ? -0.404 53.332 13.748 1.00 21.63 ? 41 ILE A CG2 1
744
+ ATOM 324 C CD1 . ILE A 1 41 ? 0.612 52.214 11.065 1.00 19.17 ? 41 ILE A CD1 1
745
+ ATOM 325 N N . GLU A 1 42 ? 1.801 52.790 16.488 1.00 18.57 ? 42 GLU A N 1
746
+ ATOM 326 C CA . GLU A 1 42 ? 1.445 52.768 17.916 1.00 19.33 ? 42 GLU A CA 1
747
+ ATOM 327 C C . GLU A 1 42 ? 2.053 53.915 18.716 1.00 20.66 ? 42 GLU A C 1
748
+ ATOM 328 O O . GLU A 1 42 ? 1.365 54.511 19.551 1.00 22.57 ? 42 GLU A O 1
749
+ ATOM 329 C CB . GLU A 1 42 ? 1.802 51.424 18.509 1.00 22.07 ? 42 GLU A CB 1
750
+ ATOM 330 C CG . GLU A 1 42 ? 0.818 50.367 18.088 1.00 20.66 ? 42 GLU A CG 1
751
+ ATOM 331 C CD . GLU A 1 42 ? 1.265 48.954 18.378 1.00 21.26 ? 42 GLU A CD 1
752
+ ATOM 332 O OE1 . GLU A 1 42 ? 2.442 48.717 18.751 1.00 25.73 ? 42 GLU A OE1 1
753
+ ATOM 333 O OE2 . GLU A 1 42 ? 0.423 48.051 18.207 1.00 20.50 ? 42 GLU A OE2 1
754
+ ATOM 334 N N . THR A 1 43 ? 3.317 54.235 18.461 1.00 19.54 ? 43 THR A N 1
755
+ ATOM 335 C CA . THR A 1 43 ? 3.990 55.380 19.098 1.00 24.70 ? 43 THR A CA 1
756
+ ATOM 336 C C . THR A 1 43 ? 3.271 56.687 18.769 1.00 22.10 ? 43 THR A C 1
757
+ ATOM 337 O O . THR A 1 43 ? 3.022 57.507 19.660 1.00 23.63 ? 43 THR A O 1
758
+ ATOM 338 C CB . THR A 1 43 ? 5.462 55.421 18.679 1.00 26.03 ? 43 THR A CB 1
759
+ ATOM 339 O OG1 . THR A 1 43 ? 6.063 54.176 19.059 1.00 29.33 ? 43 THR A OG1 1
760
+ ATOM 340 C CG2 . THR A 1 43 ? 6.203 56.582 19.317 1.00 30.42 ? 43 THR A CG2 1
761
+ ATOM 341 N N . GLN A 1 44 ? 2.895 56.867 17.495 1.00 23.13 ? 44 GLN A N 1
762
+ ATOM 342 C CA . GLN A 1 44 ? 2.124 58.037 17.097 1.00 21.17 ? 44 GLN A CA 1
763
+ ATOM 343 C C . GLN A 1 44 ? 0.760 58.093 17.819 1.00 19.52 ? 44 GLN A C 1
764
+ ATOM 344 O O . GLN A 1 44 ? 0.380 59.137 18.340 1.00 23.27 ? 44 GLN A O 1
765
+ ATOM 345 C CB . GLN A 1 44 ? 1.965 58.092 15.579 1.00 21.64 ? 44 GLN A CB 1
766
+ ATOM 346 C CG . GLN A 1 44 ? 1.371 59.389 15.063 1.00 30.94 ? 44 GLN A CG 1
767
+ ATOM 347 C CD . GLN A 1 44 ? 2.236 60.602 15.355 1.00 27.42 ? 44 GLN A CD 1
768
+ ATOM 348 O OE1 . GLN A 1 44 ? 3.411 60.626 15.035 1.00 37.42 ? 44 GLN A OE1 1
769
+ ATOM 349 N NE2 . GLN A 1 44 ? 1.650 61.610 15.973 1.00 37.67 ? 44 GLN A NE2 1
770
+ ATOM 350 N N . LEU A 1 45 ? 0.058 56.963 17.891 1.00 21.54 ? 45 LEU A N 1
771
+ ATOM 351 C CA . LEU A 1 45 ? -1.234 56.906 18.555 1.00 20.62 ? 45 LEU A CA 1
772
+ ATOM 352 C C . LEU A 1 45 ? -1.074 57.293 20.012 1.00 23.56 ? 45 LEU A C 1
773
+ ATOM 353 O O . LEU A 1 45 ? -1.868 58.074 20.546 1.00 23.32 ? 45 LEU A O 1
774
+ ATOM 354 C CB . LEU A 1 45 ? -1.861 55.517 18.455 1.00 20.37 ? 45 LEU A CB 1
775
+ ATOM 355 C CG . LEU A 1 45 ? -2.513 55.197 17.100 1.00 20.82 ? 45 LEU A CG 1
776
+ ATOM 356 C CD1 . LEU A 1 45 ? -2.789 53.714 16.942 1.00 26.04 ? 45 LEU A CD1 1
777
+ ATOM 357 C CD2 . LEU A 1 45 ? -3.803 56.005 16.938 1.00 23.89 ? 45 LEU A CD2 1
778
+ ATOM 358 N N . GLU A 1 46 ? 0.003 56.812 20.620 1.00 24.40 ? 46 GLU A N 1
779
+ ATOM 359 C CA . GLU A 1 46 ? 0.269 57.125 22.009 1.00 26.43 ? 46 GLU A CA 1
780
+ ATOM 360 C C . GLU A 1 46 ? 0.381 58.632 22.254 1.00 28.13 ? 46 GLU A C 1
781
+ ATOM 361 O O . GLU A 1 46 ? -0.182 59.160 23.219 1.00 27.58 ? 46 GLU A O 1
782
+ ATOM 362 C CB . GLU A 1 46 ? 1.524 56.392 22.502 1.00 34.06 ? 46 GLU A CB 1
783
+ ATOM 363 C CG . GLU A 1 46 ? 1.160 55.245 23.417 1.00 48.37 ? 46 GLU A CG 1
784
+ ATOM 364 C CD . GLU A 1 46 ? 0.280 55.715 24.586 1.00 51.61 ? 46 GLU A CD 1
785
+ ATOM 365 O OE1 . GLU A 1 46 ? 0.731 56.565 25.390 1.00 78.32 ? 46 GLU A OE1 1
786
+ ATOM 366 O OE2 . GLU A 1 46 ? -0.888 55.267 24.659 1.00 66.01 ? 46 GLU A OE2 1
787
+ ATOM 367 N N . ALA A 1 47 ? 1.083 59.314 21.358 1.00 26.03 ? 47 ALA A N 1
788
+ ATOM 368 C CA . ALA A 1 47 ? 1.205 60.752 21.425 1.00 25.44 ? 47 ALA A CA 1
789
+ ATOM 369 C C . ALA A 1 47 ? -0.135 61.461 21.330 1.00 23.10 ? 47 ALA A C 1
790
+ ATOM 370 O O . ALA A 1 47 ? -0.378 62.403 22.070 1.00 28.66 ? 47 ALA A O 1
791
+ ATOM 371 C CB . ALA A 1 47 ? 2.148 61.260 20.349 1.00 25.76 ? 47 ALA A CB 1
792
+ ATOM 372 N N . TYR A 1 48 ? -0.984 61.049 20.385 1.00 24.17 ? 48 TYR A N 1
793
+ ATOM 373 C CA . TYR A 1 48 ? -2.320 61.613 20.251 1.00 21.55 ? 48 TYR A CA 1
794
+ ATOM 374 C C . TYR A 1 48 ? -3.182 61.346 21.498 1.00 21.47 ? 48 TYR A C 1
795
+ ATOM 375 O O . TYR A 1 48 ? -3.851 62.249 22.017 1.00 25.39 ? 48 TYR A O 1
796
+ ATOM 376 C CB . TYR A 1 48 ? -3.033 61.044 19.030 1.00 21.77 ? 48 TYR A CB 1
797
+ ATOM 377 C CG . TYR A 1 48 ? -2.510 61.515 17.676 1.00 26.61 ? 48 TYR A CG 1
798
+ ATOM 378 C CD1 . TYR A 1 48 ? -2.402 62.859 17.371 1.00 33.59 ? 48 TYR A CD1 1
799
+ ATOM 379 C CD2 . TYR A 1 48 ? -2.204 60.597 16.685 1.00 30.43 ? 48 TYR A CD2 1
800
+ ATOM 380 C CE1 . TYR A 1 48 ? -1.952 63.279 16.130 1.00 31.75 ? 48 TYR A CE1 1
801
+ ATOM 381 C CE2 . TYR A 1 48 ? -1.761 61.011 15.435 1.00 32.11 ? 48 TYR A CE2 1
802
+ ATOM 382 C CZ . TYR A 1 48 ? -1.622 62.349 15.173 1.00 30.53 ? 48 TYR A CZ 1
803
+ ATOM 383 O OH . TYR A 1 48 ? -1.181 62.724 13.935 1.00 39.86 ? 48 TYR A OH 1
804
+ ATOM 384 N N . PHE A 1 49 ? -3.158 60.112 21.983 1.00 26.74 ? 49 PHE A N 1
805
+ ATOM 385 C CA . PHE A 1 49 ? -3.899 59.763 23.198 1.00 24.47 ? 49 PHE A CA 1
806
+ ATOM 386 C C . PHE A 1 49 ? -3.504 60.631 24.396 1.00 26.73 ? 49 PHE A C 1
807
+ ATOM 387 O O . PHE A 1 49 ? -4.367 61.067 25.165 1.00 31.76 ? 49 PHE A O 1
808
+ ATOM 388 C CB . PHE A 1 49 ? -3.700 58.295 23.533 1.00 27.88 ? 49 PHE A CB 1
809
+ ATOM 389 C CG . PHE A 1 49 ? -4.374 57.338 22.592 1.00 30.16 ? 49 PHE A CG 1
810
+ ATOM 390 C CD1 . PHE A 1 49 ? -5.631 57.589 22.066 1.00 37.15 ? 49 PHE A CD1 1
811
+ ATOM 391 C CD2 . PHE A 1 49 ? -3.762 56.130 22.289 1.00 37.33 ? 49 PHE A CD2 1
812
+ ATOM 392 C CE1 . PHE A 1 49 ? -6.232 56.687 21.201 1.00 38.73 ? 49 PHE A CE1 1
813
+ ATOM 393 C CE2 . PHE A 1 49 ? -4.364 55.225 21.447 1.00 39.65 ? 49 PHE A CE2 1
814
+ ATOM 394 C CZ . PHE A 1 49 ? -5.605 55.509 20.897 1.00 28.36 ? 49 PHE A CZ 1
815
+ ATOM 395 N N . SER A 1 50 ? -2.216 60.920 24.538 1.00 27.47 ? 50 SER A N 1
816
+ ATOM 396 C CA . SER A 1 50 ? -1.753 61.766 25.646 1.00 33.41 ? 50 SER A CA 1
817
+ ATOM 397 C C . SER A 1 50 ? -2.360 63.165 25.577 1.00 30.36 ? 50 SER A C 1
818
+ ATOM 398 O O . SER A 1 50 ? -2.758 63.716 26.613 1.00 34.29 ? 50 SER A O 1
819
+ ATOM 399 C CB . SER A 1 50 ? -0.228 61.870 25.672 1.00 43.28 ? 50 SER A CB 1
820
+ ATOM 400 O OG . SER A 1 50 ? 0.358 60.596 25.869 1.00 49.79 ? 50 SER A OG 1
821
+ ATOM 401 N N . VAL A 1 51 ? -2.450 63.736 24.369 1.00 31.40 ? 51 VAL A N 1
822
+ ATOM 402 C CA . VAL A 1 51 ? -3.089 65.040 24.223 1.00 28.79 ? 51 VAL A CA 1
823
+ ATOM 403 C C . VAL A 1 51 ? -4.598 64.961 24.519 1.00 31.56 ? 51 VAL A C 1
824
+ ATOM 404 O O . VAL A 1 51 ? -5.151 65.853 25.173 1.00 33.35 ? 51 VAL A O 1
825
+ ATOM 405 C CB . VAL A 1 51 ? -2.803 65.694 22.863 1.00 29.35 ? 51 VAL A CB 1
826
+ ATOM 406 C CG1 . VAL A 1 51 ? -3.542 67.010 22.748 1.00 35.94 ? 51 VAL A CG1 1
827
+ ATOM 407 C CG2 . VAL A 1 51 ? -1.306 65.898 22.701 1.00 34.41 ? 51 VAL A CG2 1
828
+ ATOM 408 N N . LEU A 1 52 ? -5.266 63.894 24.091 1.00 29.06 ? 52 LEU A N 1
829
+ ATOM 409 C CA . LEU A 1 52 ? -6.702 63.747 24.402 1.00 28.34 ? 52 LEU A CA 1
830
+ ATOM 410 C C . LEU A 1 52 ? -6.921 63.672 25.914 1.00 30.34 ? 52 LEU A C 1
831
+ ATOM 411 O O . LEU A 1 52 ? -7.891 64.245 26.454 1.00 34.73 ? 52 LEU A O 1
832
+ ATOM 412 C CB . LEU A 1 52 ? -7.300 62.499 23.739 1.00 30.03 ? 52 LEU A CB 1
833
+ ATOM 413 C CG . LEU A 1 52 ? -7.653 62.538 22.250 1.00 28.65 ? 52 LEU A CG 1
834
+ ATOM 414 C CD1 . LEU A 1 52 ? -8.164 61.164 21.842 1.00 34.74 ? 52 LEU A CD1 1
835
+ ATOM 415 C CD2 . LEU A 1 52 ? -8.675 63.617 21.935 1.00 33.30 ? 52 LEU A CD2 1
836
+ ATOM 416 N N . GLU A 1 53 ? -6.004 62.983 26.599 1.00 28.55 ? 53 GLU A N 1
837
+ ATOM 417 C CA . GLU A 1 53 ? -6.020 62.911 28.067 1.00 28.32 ? 53 GLU A CA 1
838
+ ATOM 418 C C . GLU A 1 53 ? -5.997 64.316 28.676 1.00 28.78 ? 53 GLU A C 1
839
+ ATOM 419 O O . GLU A 1 53 ? -6.766 64.606 29.623 1.00 29.03 ? 53 GLU A O 1
840
+ ATOM 420 C CB . GLU A 1 53 ? -4.816 62.129 28.588 1.00 38.31 ? 53 GLU A CB 1
841
+ ATOM 421 C CG . GLU A 1 53 ? -4.862 60.625 28.401 1.00 40.69 ? 53 GLU A CG 1
842
+ ATOM 422 C CD . GLU A 1 53 ? -3.608 59.951 28.947 1.00 55.46 ? 53 GLU A CD 1
843
+ ATOM 423 O OE1 . GLU A 1 53 ? -2.859 60.615 29.702 1.00 65.76 ? 53 GLU A OE1 1
844
+ ATOM 424 O OE2 . GLU A 1 53 ? -3.370 58.764 28.627 1.00 68.32 ? 53 GLU A OE2 1
845
+ ATOM 425 N N . GLN A 1 54 ? -5.126 65.184 28.148 1.00 28.46 ? 54 GLN A N 1
846
+ ATOM 426 C CA . GLN A 1 54 ? -5.035 66.560 28.658 1.00 32.15 ? 54 GLN A CA 1
847
+ ATOM 427 C C . GLN A 1 54 ? -6.321 67.308 28.457 1.00 27.42 ? 54 GLN A C 1
848
+ ATOM 428 O O . GLN A 1 54 ? -6.606 68.244 29.204 1.00 29.05 ? 54 GLN A O 1
849
+ ATOM 429 C CB . GLN A 1 54 ? -4.001 67.388 27.926 1.00 35.62 ? 54 GLN A CB 1
850
+ ATOM 430 C CG . GLN A 1 54 ? -2.577 66.924 27.952 1.00 42.64 ? 54 GLN A CG 1
851
+ ATOM 431 C CD . GLN A 1 54 ? -1.785 67.613 26.842 1.00 55.95 ? 54 GLN A CD 1
852
+ ATOM 432 O OE1 . GLN A 1 54 ? -2.297 68.503 26.144 1.00 50.98 ? 54 GLN A OE1 1
853
+ ATOM 433 N NE2 . GLN A 1 54 ? -0.546 67.194 26.661 1.00 68.13 ? 54 GLN A NE2 1
854
+ ATOM 434 N N . GLN A 1 55 ? -7.048 66.943 27.399 1.00 27.36 ? 55 GLN A N 1
855
+ ATOM 435 C CA . GLN A 1 55 ? -8.328 67.550 27.079 1.00 29.93 ? 55 GLN A CA 1
856
+ ATOM 436 C C . GLN A 1 55 ? -9.469 66.905 27.852 1.00 33.84 ? 55 GLN A C 1
857
+ ATOM 437 O O . GLN A 1 55 ? -10.613 67.355 27.746 1.00 39.73 ? 55 GLN A O 1
858
+ ATOM 438 C CB . GLN A 1 55 ? -8.603 67.506 25.562 1.00 31.04 ? 55 GLN A CB 1
859
+ ATOM 439 C CG . GLN A 1 55 ? -7.986 68.682 24.823 1.00 35.97 ? 55 GLN A CG 1
860
+ ATOM 440 C CD . GLN A 1 55 ? -8.704 70.025 25.045 1.00 37.34 ? 55 GLN A CD 1
861
+ ATOM 441 O OE1 . GLN A 1 55 ? -9.916 70.101 25.330 1.00 45.25 ? 55 GLN A OE1 1
862
+ ATOM 442 N NE2 . GLN A 1 55 ? -7.948 71.095 24.912 1.00 33.70 ? 55 GLN A NE2 1
863
+ ATOM 443 N N . GLY A 1 56 ? -9.151 65.864 28.628 1.00 37.53 ? 56 GLY A N 1
864
+ ATOM 444 C CA . GLY A 1 56 ? -10.125 65.220 29.498 1.00 41.01 ? 56 GLY A CA 1
865
+ ATOM 445 C C . GLY A 1 56 ? -11.235 64.561 28.706 1.00 37.84 ? 56 GLY A C 1
866
+ ATOM 446 O O . GLY A 1 56 ? -12.387 64.550 29.127 1.00 48.34 ? 56 GLY A O 1
867
+ ATOM 447 N N . ILE A 1 57 ? -10.899 64.024 27.547 1.00 46.23 ? 57 ILE A N 1
868
+ ATOM 448 C CA . ILE A 1 57 ? -11.909 63.479 26.677 1.00 51.63 ? 57 ILE A CA 1
869
+ ATOM 449 C C . ILE A 1 57 ? -11.372 62.183 26.095 1.00 54.21 ? 57 ILE A C 1
870
+ ATOM 450 O O . ILE A 1 57 ? -10.156 62.013 25.938 1.00 62.41 ? 57 ILE A O 1
871
+ ATOM 451 C CB . ILE A 1 57 ? -12.303 64.533 25.605 1.00 62.37 ? 57 ILE A CB 1
872
+ ATOM 452 C CG1 . ILE A 1 57 ? -13.786 64.406 25.230 1.00 69.61 ? 57 ILE A CG1 1
873
+ ATOM 453 C CG2 . ILE A 1 57 ? -11.371 64.485 24.394 1.00 57.16 ? 57 ILE A CG2 1
874
+ ATOM 454 C CD1 . ILE A 1 57 ? -14.457 65.734 24.936 1.00 76.30 ? 57 ILE A CD1 1
875
+ ATOM 455 N N . GLY A 1 58 ? -12.288 61.255 25.838 1.00 58.24 ? 58 GLY A N 1
876
+ ATOM 456 C CA . GLY A 1 58 ? -11.980 60.035 25.108 1.00 54.58 ? 58 GLY A CA 1
877
+ ATOM 457 C C . GLY A 1 58 ? -12.399 60.213 23.666 1.00 58.65 ? 58 GLY A C 1
878
+ ATOM 458 O O . GLY A 1 58 ? -12.619 61.341 23.201 1.00 55.03 ? 58 GLY A O 1
879
+ ATOM 459 N N . MET A 1 59 ? -12.529 59.092 22.966 1.00 48.70 ? 59 MET A N 1
880
+ ATOM 460 C CA . MET A 1 59 ? -12.817 59.107 21.543 1.00 42.46 ? 59 MET A CA 1
881
+ ATOM 461 C C . MET A 1 59 ? -14.305 59.301 21.163 1.00 51.32 ? 59 MET A C 1
882
+ ATOM 462 O O . MET A 1 59 ? -14.592 59.705 20.032 1.00 56.33 ? 59 MET A O 1
883
+ ATOM 463 C CB . MET A 1 59 ? -12.243 57.832 20.902 1.00 43.83 ? 59 MET A CB 1
884
+ ATOM 464 C CG . MET A 1 59 ? -10.719 57.851 20.748 1.00 36.88 ? 59 MET A CG 1
885
+ ATOM 465 S SD . MET A 1 59 ? -10.089 59.135 19.619 1.00 36.24 ? 59 MET A SD 1
886
+ ATOM 466 C CE . MET A 1 59 ? -10.668 58.558 18.010 1.00 33.22 ? 59 MET A CE 1
887
+ ATOM 467 N N . ASP A 1 60 ? -15.232 59.056 22.096 1.00 50.47 ? 60 ASP A N 1
888
+ ATOM 468 C CA . ASP A 1 60 ? -16.684 58.969 21.787 1.00 44.73 ? 60 ASP A CA 1
889
+ ATOM 469 C C . ASP A 1 60 ? -17.600 60.106 22.304 1.00 49.51 ? 60 ASP A C 1
890
+ ATOM 470 O O . ASP A 1 60 ? -18.790 60.172 21.960 1.00 66.81 ? 60 ASP A O 1
891
+ ATOM 471 C CB . ASP A 1 60 ? -17.225 57.643 22.342 1.00 50.90 ? 60 ASP A CB 1
892
+ ATOM 472 C CG . ASP A 1 60 ? -16.546 56.423 21.731 1.00 52.38 ? 60 ASP A CG 1
893
+ ATOM 473 O OD1 . ASP A 1 60 ? -16.234 56.436 20.515 1.00 55.07 ? 60 ASP A OD1 1
894
+ ATOM 474 O OD2 . ASP A 1 60 ? -16.337 55.437 22.469 1.00 69.45 ? 60 ASP A OD2 1
895
+ ATOM 475 N N . SER A 1 61 ? -17.037 61.001 23.102 1.00 53.39 ? 61 SER A N 1
896
+ ATOM 476 C CA . SER A 1 61 ? -17.815 61.924 23.940 1.00 52.64 ? 61 SER A CA 1
897
+ ATOM 477 C C . SER A 1 61 ? -18.482 63.092 23.201 1.00 54.13 ? 61 SER A C 1
898
+ ATOM 478 O O . SER A 1 61 ? -18.131 63.405 22.064 1.00 71.12 ? 61 SER A O 1
899
+ ATOM 479 C CB . SER A 1 61 ? -16.887 62.470 25.038 1.00 51.05 ? 61 SER A CB 1
900
+ ATOM 480 O OG . SER A 1 61 ? -15.887 61.512 25.366 1.00 56.75 ? 61 SER A OG 1
901
+ ATOM 481 N N . ALA A 1 62 ? -19.451 63.729 23.860 1.00 57.20 ? 62 ALA A N 1
902
+ ATOM 482 C CA . ALA A 1 62 ? -20.017 64.998 23.373 1.00 52.19 ? 62 ALA A CA 1
903
+ ATOM 483 C C . ALA A 1 62 ? -18.950 66.096 23.396 1.00 49.15 ? 62 ALA A C 1
904
+ ATOM 484 O O . ALA A 1 62 ? -18.005 66.047 24.199 1.00 58.01 ? 62 ALA A O 1
905
+ ATOM 485 C CB . ALA A 1 62 ? -21.219 65.416 24.220 1.00 57.01 ? 62 ALA A CB 1
906
+ ATOM 486 N N . TYR A 1 63 ? -17.002 70.785 32.108 1.00 44.54 ? 63 TYR A N 1
907
+ ATOM 487 C CA . TYR A 1 63 ? -16.754 72.210 31.868 1.00 34.44 ? 63 TYR A CA 1
908
+ ATOM 488 C C . TYR A 1 63 ? -16.782 72.562 30.376 1.00 31.07 ? 63 TYR A C 1
909
+ ATOM 489 O O . TYR A 1 63 ? -16.435 71.712 29.546 1.00 35.77 ? 63 TYR A O 1
910
+ ATOM 490 C CB . TYR A 1 63 ? -15.417 72.651 32.513 1.00 37.23 ? 63 TYR A CB 1
911
+ ATOM 491 C CG . TYR A 1 63 ? -14.132 72.218 31.825 1.00 37.04 ? 63 TYR A CG 1
912
+ ATOM 492 C CD1 . TYR A 1 63 ? -13.656 72.878 30.689 1.00 31.28 ? 63 TYR A CD1 1
913
+ ATOM 493 C CD2 . TYR A 1 63 ? -13.370 71.186 32.341 1.00 35.22 ? 63 TYR A CD2 1
914
+ ATOM 494 C CE1 . TYR A 1 63 ? -12.467 72.503 30.082 1.00 31.94 ? 63 TYR A CE1 1
915
+ ATOM 495 C CE2 . TYR A 1 63 ? -12.191 70.796 31.751 1.00 39.63 ? 63 TYR A CE2 1
916
+ ATOM 496 C CZ . TYR A 1 63 ? -11.738 71.451 30.616 1.00 31.45 ? 63 TYR A CZ 1
917
+ ATOM 497 O OH . TYR A 1 63 ? -10.550 71.072 30.034 1.00 31.09 ? 63 TYR A OH 1
918
+ ATOM 498 N N . PRO A 1 64 ? -17.162 73.821 30.052 1.00 45.02 ? 64 PRO A N 1
919
+ ATOM 499 C CA . PRO A 1 64 ? -17.226 74.353 28.699 1.00 44.75 ? 64 PRO A CA 1
920
+ ATOM 500 C C . PRO A 1 64 ? -15.898 74.316 27.965 1.00 46.28 ? 64 PRO A C 1
921
+ ATOM 501 O O . PRO A 1 64 ? -14.898 74.859 28.466 1.00 43.35 ? 64 PRO A O 1
922
+ ATOM 502 C CB . PRO A 1 64 ? -17.618 75.820 28.919 1.00 50.63 ? 64 PRO A CB 1
923
+ ATOM 503 C CG . PRO A 1 64 ? -17.121 76.136 30.303 1.00 48.72 ? 64 PRO A CG 1
924
+ ATOM 504 C CD . PRO A 1 64 ? -17.452 74.886 31.041 1.00 46.95 ? 64 PRO A CD 1
925
+ ATOM 505 N N . ARG A 1 65 ? -15.932 73.690 26.783 1.00 35.09 ? 65 ARG A N 1
926
+ ATOM 506 C CA . ARG A 1 65 ? -14.842 73.663 25.839 1.00 34.09 ? 65 ARG A CA 1
927
+ ATOM 507 C C . ARG A 1 65 ? -14.991 74.828 24.860 1.00 25.48 ? 65 ARG A C 1
928
+ ATOM 508 O O . ARG A 1 65 ? -16.041 75.072 24.295 1.00 32.87 ? 65 ARG A O 1
929
+ ATOM 509 C CB . ARG A 1 65 ? -14.854 72.341 25.052 1.00 36.45 ? 65 ARG A CB 1
930
+ ATOM 510 C CG . ARG A 1 65 ? -13.872 71.284 25.530 1.00 35.37 ? 65 ARG A CG 1
931
+ ATOM 511 C CD . ARG A 1 65 ? -13.793 71.203 27.019 1.00 35.33 ? 65 ARG A CD 1
932
+ ATOM 512 N NE . ARG A 1 65 ? -13.099 70.000 27.482 1.00 40.97 ? 65 ARG A NE 1
933
+ ATOM 513 C CZ . ARG A 1 65 ? -13.446 69.326 28.575 1.00 47.58 ? 65 ARG A CZ 1
934
+ ATOM 514 N NH1 . ARG A 1 65 ? -12.757 68.252 28.950 1.00 46.47 ? 65 ARG A NH1 1
935
+ ATOM 515 N NH2 . ARG A 1 65 ? -14.503 69.710 29.292 1.00 42.99 ? 65 ARG A NH2 1
936
+ ATOM 516 N N . SER A 1 66 ? -13.906 75.529 24.668 1.00 22.47 ? 66 SER A N 1
937
+ ATOM 517 C CA . SER A 1 66 ? -13.894 76.653 23.815 1.00 21.14 ? 66 SER A CA 1
938
+ ATOM 518 C C . SER A 1 66 ? -13.905 76.140 22.374 1.00 19.08 ? 66 SER A C 1
939
+ ATOM 519 O O . SER A 1 66 ? -13.673 74.957 22.106 1.00 18.47 ? 66 SER A O 1
940
+ ATOM 520 C CB . SER A 1 66 ? -12.601 77.403 24.013 1.00 23.19 ? 66 SER A CB 1
941
+ ATOM 521 O OG . SER A 1 66 ? -11.544 76.518 23.666 1.00 23.76 ? 66 SER A OG 1
942
+ ATOM 522 N N . ASP A 1 67 ? -14.094 77.069 21.469 1.00 19.69 ? 67 ASP A N 1
943
+ ATOM 523 C CA . ASP A 1 67 ? -13.999 76.697 20.045 1.00 17.31 ? 67 ASP A CA 1
944
+ ATOM 524 C C . ASP A 1 67 ? -12.669 76.055 19.649 1.00 18.68 ? 67 ASP A C 1
945
+ ATOM 525 O O . ASP A 1 67 ? -12.629 75.082 18.867 1.00 20.40 ? 67 ASP A O 1
946
+ ATOM 526 C CB . ASP A 1 67 ? -14.269 77.910 19.172 1.00 20.15 ? 67 ASP A CB 1
947
+ ATOM 527 C CG . ASP A 1 67 ? -15.727 78.334 19.162 1.00 21.52 ? 67 ASP A CG 1
948
+ ATOM 528 O OD1 . ASP A 1 67 ? -16.564 77.818 19.961 1.00 22.02 ? 67 ASP A OD1 1
949
+ ATOM 529 O OD2 . ASP A 1 67 ? -16.035 79.242 18.352 1.00 26.44 ? 67 ASP A OD2 1
950
+ ATOM 530 N N . VAL A 1 68 ? -11.572 76.616 20.136 1.00 18.13 ? 68 VAL A N 1
951
+ ATOM 531 C CA . VAL A 1 68 ? -10.277 76.092 19.831 1.00 21.61 ? 68 VAL A CA 1
952
+ ATOM 532 C C . VAL A 1 68 ? -10.097 74.709 20.441 1.00 18.22 ? 68 VAL A C 1
953
+ ATOM 533 O O . VAL A 1 68 ? -9.521 73.832 19.811 1.00 18.53 ? 68 VAL A O 1
954
+ ATOM 534 C CB . VAL A 1 68 ? -9.149 77.082 20.141 1.00 19.06 ? 68 VAL A CB 1
955
+ ATOM 535 C CG1 . VAL A 1 68 ? -8.953 77.223 21.635 1.00 22.17 ? 68 VAL A CG1 1
956
+ ATOM 536 C CG2 . VAL A 1 68 ? -7.838 76.621 19.549 1.00 24.44 ? 68 VAL A CG2 1
957
+ ATOM 537 N N . ASP A 1 69 ? -10.598 74.483 21.667 1.00 18.33 ? 69 ASP A N 1
958
+ ATOM 538 C CA . ASP A 1 69 ? -10.562 73.134 22.206 1.00 17.66 ? 69 ASP A CA 1
959
+ ATOM 539 C C . ASP A 1 69 ? -11.271 72.133 21.283 1.00 18.44 ? 69 ASP A C 1
960
+ ATOM 540 O O . ASP A 1 69 ? -10.763 71.044 21.040 1.00 20.67 ? 69 ASP A O 1
961
+ ATOM 541 C CB . ASP A 1 69 ? -11.224 73.027 23.583 1.00 17.84 ? 69 ASP A CB 1
962
+ ATOM 542 C CG . ASP A 1 69 ? -10.468 73.739 24.685 1.00 20.82 ? 69 ASP A CG 1
963
+ ATOM 543 O OD1 . ASP A 1 69 ? -9.244 73.993 24.666 1.00 17.90 ? 69 ASP A OD1 1
964
+ ATOM 544 O OD2 . ASP A 1 69 ? -11.193 74.026 25.637 1.00 22.36 ? 69 ASP A OD2 1
965
+ ATOM 545 N N . VAL A 1 70 ? -12.463 72.506 20.832 1.00 18.02 ? 70 VAL A N 1
966
+ ATOM 546 C CA . VAL A 1 70 ? -13.282 71.665 19.970 1.00 19.29 ? 70 VAL A CA 1
967
+ ATOM 547 C C . VAL A 1 70 ? -12.502 71.393 18.680 1.00 19.14 ? 70 VAL A C 1
968
+ ATOM 548 O O . VAL A 1 70 ? -12.436 70.259 18.213 1.00 21.30 ? 70 VAL A O 1
969
+ ATOM 549 C CB . VAL A 1 70 ? -14.652 72.322 19.692 1.00 18.30 ? 70 VAL A CB 1
970
+ ATOM 550 C CG1 . VAL A 1 70 ? -15.413 71.587 18.590 1.00 21.81 ? 70 VAL A CG1 1
971
+ ATOM 551 C CG2 . VAL A 1 70 ? -15.488 72.369 20.984 1.00 22.82 ? 70 VAL A CG2 1
972
+ ATOM 552 N N . LEU A 1 71 ? -11.872 72.416 18.126 1.00 18.76 ? 71 LEU A N 1
973
+ ATOM 553 C CA . LEU A 1 71 ? -11.132 72.225 16.864 1.00 18.62 ? 71 LEU A CA 1
974
+ ATOM 554 C C . LEU A 1 71 ? -9.953 71.266 17.066 1.00 18.62 ? 71 LEU A C 1
975
+ ATOM 555 O O . LEU A 1 71 ? -9.745 70.336 16.298 1.00 20.96 ? 71 LEU A O 1
976
+ ATOM 556 C CB . LEU A 1 71 ? -10.630 73.559 16.361 1.00 18.93 ? 71 LEU A CB 1
977
+ ATOM 557 C CG . LEU A 1 71 ? -9.950 73.552 15.006 1.00 21.83 ? 71 LEU A CG 1
978
+ ATOM 558 C CD1 . LEU A 1 71 ? -10.981 73.137 13.959 1.00 24.77 ? 71 LEU A CD1 1
979
+ ATOM 559 C CD2 . LEU A 1 71 ? -9.358 74.947 14.762 1.00 26.22 ? 71 LEU A CD2 1
980
+ ATOM 560 N N . GLN A 1 72 ? -9.232 71.437 18.177 1.00 20.70 ? 72 GLN A N 1
981
+ ATOM 561 C CA . GLN A 1 72 ? -8.077 70.595 18.469 1.00 22.52 ? 72 GLN A CA 1
982
+ ATOM 562 C C . GLN A 1 72 ? -8.496 69.139 18.695 1.00 20.62 ? 72 GLN A C 1
983
+ ATOM 563 O O . GLN A 1 72 ? -7.902 68.217 18.121 1.00 21.93 ? 72 GLN A O 1
984
+ ATOM 564 C CB . GLN A 1 72 ? -7.294 71.162 19.657 1.00 22.52 ? 72 GLN A CB 1
985
+ ATOM 565 C CG . GLN A 1 72 ? -6.516 72.419 19.292 1.00 23.57 ? 72 GLN A CG 1
986
+ ATOM 566 C CD . GLN A 1 72 ? -5.841 73.075 20.458 1.00 25.04 ? 72 GLN A CD 1
987
+ ATOM 567 O OE1 . GLN A 1 72 ? -6.123 72.749 21.604 1.00 32.16 ? 72 GLN A OE1 1
988
+ ATOM 568 N NE2 . GLN A 1 72 ? -4.934 73.991 20.179 1.00 30.65 ? 72 GLN A NE2 1
989
+ ATOM 569 N N . VAL A 1 73 ? -9.539 68.935 19.493 1.00 19.68 ? 73 VAL A N 1
990
+ ATOM 570 C CA . VAL A 1 73 ? -10.047 67.598 19.751 1.00 19.65 ? 73 VAL A CA 1
991
+ ATOM 571 C C . VAL A 1 73 ? -10.560 66.962 18.460 1.00 19.01 ? 73 VAL A C 1
992
+ ATOM 572 O O . VAL A 1 73 ? -10.304 65.795 18.196 1.00 21.42 ? 73 VAL A O 1
993
+ ATOM 573 C CB . VAL A 1 73 ? -11.149 67.603 20.820 1.00 21.75 ? 73 VAL A CB 1
994
+ ATOM 574 C CG1 . VAL A 1 73 ? -11.842 66.253 20.897 1.00 25.90 ? 73 VAL A CG1 1
995
+ ATOM 575 C CG2 . VAL A 1 73 ? -10.542 67.986 22.171 1.00 24.46 ? 73 VAL A CG2 1
996
+ ATOM 576 N N . THR A 1 74 ? -11.295 67.725 17.656 1.00 21.11 ? 74 THR A N 1
997
+ ATOM 577 C CA . THR A 1 74 ? -11.737 67.244 16.332 1.00 21.77 ? 74 THR A CA 1
998
+ ATOM 578 C C . THR A 1 74 ? -10.558 66.734 15.461 1.00 18.65 ? 74 THR A C 1
999
+ ATOM 579 O O . THR A 1 74 ? -10.635 65.658 14.845 1.00 24.08 ? 74 THR A O 1
1000
+ ATOM 580 C CB . THR A 1 74 ? -12.517 68.359 15.608 1.00 22.33 ? 74 THR A CB 1
1001
+ ATOM 581 O OG1 . THR A 1 74 ? -13.724 68.647 16.332 1.00 23.97 ? 74 THR A OG1 1
1002
+ ATOM 582 C CG2 . THR A 1 74 ? -12.897 67.940 14.185 1.00 23.66 ? 74 THR A CG2 1
1003
+ ATOM 583 N N . MET A 1 75 ? -9.486 67.506 15.412 1.00 20.14 ? 75 MET A N 1
1004
+ ATOM 584 C CA . MET A 1 75 ? -8.279 67.144 14.664 1.00 22.62 ? 75 MET A CA 1
1005
+ ATOM 585 C C . MET A 1 75 ? -7.630 65.886 15.244 1.00 21.34 ? 75 MET A C 1
1006
+ ATOM 586 O O . MET A 1 75 ? -7.332 64.940 14.526 1.00 24.61 ? 75 MET A O 1
1007
+ ATOM 587 C CB . MET A 1 75 ? -7.277 68.297 14.670 1.00 24.61 ? 75 MET A CB 1
1008
+ ATOM 588 C CG . MET A 1 75 ? -5.914 67.994 14.029 1.00 34.77 ? 75 MET A CG 1
1009
+ ATOM 589 S SD . MET A 1 75 ? -4.658 69.293 14.151 1.00 47.70 ? 75 MET A SD 1
1010
+ ATOM 590 C CE . MET A 1 75 ? -4.205 69.446 12.425 1.00 62.53 ? 75 MET A CE 1
1011
+ ATOM 591 N N . ILE A 1 76 ? -7.415 65.884 16.553 1.00 22.26 ? 76 ILE A N 1
1012
+ ATOM 592 C CA . ILE A 1 76 ? -6.754 64.751 17.185 1.00 20.52 ? 76 ILE A CA 1
1013
+ ATOM 593 C C . ILE A 1 76 ? -7.594 63.490 17.004 1.00 20.41 ? 76 ILE A C 1
1014
+ ATOM 594 O O . ILE A 1 76 ? -7.053 62.436 16.653 1.00 20.88 ? 76 ILE A O 1
1015
+ ATOM 595 C CB . ILE A 1 76 ? -6.466 65.003 18.674 1.00 21.51 ? 76 ILE A CB 1
1016
+ ATOM 596 C CG1 . ILE A 1 76 ? -5.520 66.193 18.842 1.00 29.91 ? 76 ILE A CG1 1
1017
+ ATOM 597 C CG2 . ILE A 1 76 ? -5.935 63.737 19.336 1.00 24.90 ? 76 ILE A CG2 1
1018
+ ATOM 598 C CD1 . ILE A 1 76 ? -4.104 65.968 18.382 1.00 37.46 ? 76 ILE A CD1 1
1019
+ ATOM 599 N N . ARG A 1 77 ? -8.903 63.579 17.230 1.00 20.89 ? 77 ARG A N 1
1020
+ ATOM 600 C CA . ARG A 1 77 ? -9.764 62.417 17.040 1.00 19.91 ? 77 ARG A CA 1
1021
+ ATOM 601 C C . ARG A 1 77 ? -9.750 61.911 15.584 1.00 21.43 ? 77 ARG A C 1
1022
+ ATOM 602 O O . ARG A 1 77 ? -9.736 60.717 15.359 1.00 19.48 ? 77 ARG A O 1
1023
+ ATOM 603 C CB . ARG A 1 77 ? -11.192 62.703 17.472 1.00 22.73 ? 77 ARG A CB 1
1024
+ ATOM 604 C CG . ARG A 1 77 ? -11.407 62.816 18.987 1.00 27.87 ? 77 ARG A CG 1
1025
+ ATOM 605 C CD . ARG A 1 77 ? -12.887 63.118 19.187 1.00 31.69 ? 77 ARG A CD 1
1026
+ ATOM 606 N NE . ARG A 1 77 ? -13.329 62.961 20.551 1.00 39.00 ? 77 ARG A NE 1
1027
+ ATOM 607 C CZ . ARG A 1 77 ? -14.559 63.223 20.971 1.00 43.84 ? 77 ARG A CZ 1
1028
+ ATOM 608 N NH1 . ARG A 1 77 ? -15.487 63.682 20.136 1.00 48.83 ? 77 ARG A NH1 1
1029
+ ATOM 609 N NH2 . ARG A 1 77 ? -14.863 63.037 22.246 1.00 53.92 ? 77 ARG A NH2 1
1030
+ ATOM 610 N N . LYS A 1 78 ? -9.730 62.817 14.611 1.00 21.13 ? 78 LYS A N 1
1031
+ ATOM 611 C CA . LYS A 1 78 ? -9.649 62.384 13.217 1.00 19.03 ? 78 LYS A CA 1
1032
+ ATOM 612 C C . LYS A 1 78 ? -8.341 61.678 12.906 1.00 18.35 ? 78 LYS A C 1
1033
+ ATOM 613 O O . LYS A 1 78 ? -8.359 60.635 12.227 1.00 20.45 ? 78 LYS A O 1
1034
+ ATOM 614 C CB . LYS A 1 78 ? -9.889 63.549 12.260 1.00 19.42 ? 78 LYS A CB 1
1035
+ ATOM 615 C CG . LYS A 1 78 ? -10.053 63.141 10.784 1.00 18.67 ? 78 LYS A CG 1
1036
+ ATOM 616 C CD . LYS A 1 78 ? -11.302 62.288 10.639 1.00 27.14 ? 78 LYS A CD 1
1037
+ ATOM 617 C CE . LYS A 1 78 ? -11.669 61.952 9.228 1.00 33.35 ? 78 LYS A CE 1
1038
+ ATOM 618 N NZ . LYS A 1 78 ? -12.857 61.074 9.248 1.00 36.58 ? 78 LYS A NZ 1
1039
+ ATOM 619 N N . ASN A 1 79 ? -7.223 62.248 13.379 1.00 18.92 ? 79 ASN A N 1
1040
+ ATOM 620 C CA . ASN A 1 79 ? -5.897 61.650 13.254 1.00 21.75 ? 79 ASN A CA 1
1041
+ ATOM 621 C C . ASN A 1 79 ? -5.883 60.255 13.823 1.00 20.83 ? 79 ASN A C 1
1042
+ ATOM 622 O O . ASN A 1 79 ? -5.379 59.342 13.211 1.00 19.33 ? 79 ASN A O 1
1043
+ ATOM 623 C CB . ASN A 1 79 ? -4.815 62.470 13.949 1.00 26.68 ? 79 ASN A CB 1
1044
+ ATOM 624 C CG . ASN A 1 79 ? -4.232 63.571 13.091 1.00 32.11 ? 79 ASN A CG 1
1045
+ ATOM 625 O OD1 . ASN A 1 79 ? -4.149 64.728 13.531 1.00 48.26 ? 79 ASN A OD1 1
1046
+ ATOM 626 N ND2 . ASN A 1 79 ? -3.777 63.232 11.901 1.00 38.23 ? 79 ASN A ND2 1
1047
+ ATOM 627 N N . VAL A 1 80 ? -6.404 60.113 15.045 1.00 18.56 ? 80 VAL A N 1
1048
+ ATOM 628 C CA . VAL A 1 80 ? -6.489 58.800 15.685 1.00 17.46 ? 80 VAL A CA 1
1049
+ ATOM 629 C C . VAL A 1 80 ? -7.279 57.811 14.871 1.00 19.07 ? 80 VAL A C 1
1050
+ ATOM 630 O O . VAL A 1 80 ? -6.845 56.671 14.677 1.00 20.55 ? 80 VAL A O 1
1051
+ ATOM 631 C CB . VAL A 1 80 ? -7.097 58.886 17.119 1.00 19.23 ? 80 VAL A CB 1
1052
+ ATOM 632 C CG1 . VAL A 1 80 ? -7.454 57.505 17.627 1.00 24.84 ? 80 VAL A CG1 1
1053
+ ATOM 633 C CG2 . VAL A 1 80 ? -6.095 59.564 18.030 1.00 22.44 ? 80 VAL A CG2 1
1054
+ ATOM 634 N N . ASN A 1 81 ? -8.444 58.226 14.388 1.00 18.88 ? 81 ASN A N 1
1055
+ ATOM 635 C CA . ASN A 1 81 ? -9.274 57.303 13.624 1.00 18.46 ? 81 ASN A CA 1
1056
+ ATOM 636 C C . ASN A 1 81 ? -8.622 56.899 12.296 1.00 19.06 ? 81 ASN A C 1
1057
+ ATOM 637 O O . ASN A 1 81 ? -8.672 55.728 11.916 1.00 19.70 ? 81 ASN A O 1
1058
+ ATOM 638 C CB . ASN A 1 81 ? -10.692 57.853 13.431 1.00 23.50 ? 81 ASN A CB 1
1059
+ ATOM 639 C CG . ASN A 1 81 ? -11.548 57.706 14.692 1.00 27.21 ? 81 ASN A CG 1
1060
+ ATOM 640 O OD1 . ASN A 1 81 ? -11.489 56.683 15.393 1.00 34.30 ? 81 ASN A OD1 1
1061
+ ATOM 641 N ND2 . ASN A 1 81 ? -12.355 58.708 14.977 1.00 34.30 ? 81 ASN A ND2 1
1062
+ ATOM 642 N N . MET A 1 82 ? -7.954 57.839 11.639 1.00 19.08 ? 82 MET A N 1
1063
+ ATOM 643 C CA . MET A 1 82 ? -7.253 57.501 10.416 1.00 18.03 ? 82 MET A CA 1
1064
+ ATOM 644 C C . MET A 1 82 ? -6.091 56.552 10.712 1.00 19.83 ? 82 MET A C 1
1065
+ ATOM 645 O O . MET A 1 82 ? -5.901 55.576 9.983 1.00 20.18 ? 82 MET A O 1
1066
+ ATOM 646 C CB . MET A 1 82 ? -6.769 58.746 9.677 1.00 19.25 ? 82 MET A CB 1
1067
+ ATOM 647 C CG . MET A 1 82 ? -7.900 59.631 9.199 1.00 23.69 ? 82 MET A CG 1
1068
+ ATOM 648 S SD . MET A 1 82 ? -7.329 60.880 8.034 1.00 23.33 ? 82 MET A SD 1
1069
+ ATOM 649 C CE . MET A 1 82 ? -6.294 61.843 9.126 1.00 25.07 ? 82 MET A CE 1
1070
+ ATOM 650 N N . LEU A 1 83 ? -5.338 56.810 11.792 1.00 19.58 ? 83 LEU A N 1
1071
+ ATOM 651 C CA . LEU A 1 83 ? -4.235 55.928 12.161 1.00 22.50 ? 83 LEU A CA 1
1072
+ ATOM 652 C C . LEU A 1 83 ? -4.714 54.544 12.570 1.00 19.62 ? 83 LEU A C 1
1073
+ ATOM 653 O O . LEU A 1 83 ? -4.087 53.553 12.215 1.00 19.92 ? 83 LEU A O 1
1074
+ ATOM 654 C CB . LEU A 1 83 ? -3.363 56.513 13.278 1.00 26.44 ? 83 LEU A CB 1
1075
+ ATOM 655 C CG . LEU A 1 83 ? -2.238 57.495 12.975 1.00 32.80 ? 83 LEU A CG 1
1076
+ ATOM 656 C CD1 . LEU A 1 83 ? -1.637 57.923 14.300 1.00 41.71 ? 83 LEU A CD1 1
1077
+ ATOM 657 C CD2 . LEU A 1 83 ? -1.174 56.906 12.052 1.00 42.55 ? 83 LEU A CD2 1
1078
+ ATOM 658 N N . LYS A 1 84 ? -5.790 54.472 13.360 1.00 18.90 ? 84 LYS A N 1
1079
+ ATOM 659 C CA . LYS A 1 84 ? -6.356 53.187 13.723 1.00 19.68 ? 84 LYS A CA 1
1080
+ ATOM 660 C C . LYS A 1 84 ? -6.807 52.404 12.486 1.00 18.52 ? 84 LYS A C 1
1081
+ ATOM 661 O O . LYS A 1 84 ? -6.632 51.197 12.427 1.00 19.44 ? 84 LYS A O 1
1082
+ ATOM 662 C CB . LYS A 1 84 ? -7.503 53.323 14.734 1.00 19.01 ? 84 LYS A CB 1
1083
+ ATOM 663 C CG . LYS A 1 84 ? -7.030 53.630 16.144 1.00 24.29 ? 84 LYS A CG 1
1084
+ ATOM 664 C CD . LYS A 1 84 ? -8.154 54.002 17.099 1.00 38.11 ? 84 LYS A CD 1
1085
+ ATOM 665 C CE . LYS A 1 84 ? -9.215 52.932 17.202 1.00 38.96 ? 84 LYS A CE 1
1086
+ ATOM 666 N NZ . LYS A 1 84 ? -10.094 53.220 18.377 1.00 46.99 ? 84 LYS A NZ 1
1087
+ ATOM 667 N N . ASN A 1 85 ? -7.358 53.093 11.486 1.00 17.23 ? 85 ASN A N 1
1088
+ ATOM 668 C CA . ASN A 1 85 ? -7.710 52.445 10.221 1.00 18.69 ? 85 ASN A CA 1
1089
+ ATOM 669 C C . ASN A 1 85 ? -6.482 51.830 9.529 1.00 16.18 ? 85 ASN A C 1
1090
+ ATOM 670 O O . ASN A 1 85 ? -6.509 50.675 9.087 1.00 17.63 ? 85 ASN A O 1
1091
+ ATOM 671 C CB . ASN A 1 85 ? -8.447 53.439 9.344 1.00 21.63 ? 85 ASN A CB 1
1092
+ ATOM 672 C CG . ASN A 1 85 ? -9.927 53.542 9.678 1.00 28.59 ? 85 ASN A CG 1
1093
+ ATOM 673 O OD1 . ASN A 1 85 ? -10.510 52.662 10.316 1.00 38.01 ? 85 ASN A OD1 1
1094
+ ATOM 674 N ND2 . ASN A 1 85 ? -10.554 54.624 9.222 1.00 35.15 ? 85 ASN A ND2 1
1095
+ ATOM 675 N N . ASP A 1 86 ? -5.387 52.575 9.495 1.00 16.43 ? 86 ASP A N 1
1096
+ ATOM 676 C CA . ASP A 1 86 ? -4.151 52.088 8.904 1.00 17.76 ? 86 ASP A CA 1
1097
+ ATOM 677 C C . ASP A 1 86 ? -3.544 50.966 9.716 1.00 16.07 ? 86 ASP A C 1
1098
+ ATOM 678 O O . ASP A 1 86 ? -2.989 50.031 9.191 1.00 17.58 ? 86 ASP A O 1
1099
+ ATOM 679 C CB . ASP A 1 86 ? -3.143 53.220 8.706 1.00 18.62 ? 86 ASP A CB 1
1100
+ ATOM 680 C CG . ASP A 1 86 ? -3.612 54.252 7.684 1.00 17.95 ? 86 ASP A CG 1
1101
+ ATOM 681 O OD1 . ASP A 1 86 ? -4.243 53.834 6.688 1.00 19.72 ? 86 ASP A OD1 1
1102
+ ATOM 682 O OD2 . ASP A 1 86 ? -3.346 55.469 7.869 1.00 19.07 ? 86 ASP A OD2 1
1103
+ ATOM 683 N N . LEU A 1 87 ? -3.632 51.054 11.055 1.00 16.55 ? 87 LEU A N 1
1104
+ ATOM 684 C CA . LEU A 1 87 ? -3.146 49.968 11.855 1.00 15.83 ? 87 LEU A CA 1
1105
+ ATOM 685 C C . LEU A 1 87 ? -3.957 48.702 11.651 1.00 16.58 ? 87 LEU A C 1
1106
+ ATOM 686 O O . LEU A 1 87 ? -3.408 47.624 11.587 1.00 17.55 ? 87 LEU A O 1
1107
+ ATOM 687 C CB . LEU A 1 87 ? -3.210 50.428 13.333 1.00 14.97 ? 87 LEU A CB 1
1108
+ ATOM 688 C CG . LEU A 1 87 ? -2.699 49.432 14.367 1.00 15.63 ? 87 LEU A CG 1
1109
+ ATOM 689 C CD1 . LEU A 1 87 ? -1.268 49.033 14.127 1.00 20.94 ? 87 LEU A CD1 1
1110
+ ATOM 690 C CD2 . LEU A 1 87 ? -2.840 50.050 15.775 1.00 17.20 ? 87 LEU A CD2 1
1111
+ ATOM 691 N N . ASN A 1 88 ? -5.277 48.837 11.593 1.00 16.54 ? 88 ASN A N 1
1112
+ ATOM 692 C CA . ASN A 1 88 ? -6.131 47.716 11.287 1.00 16.73 ? 88 ASN A CA 1
1113
+ ATOM 693 C C . ASN A 1 88 ? -5.737 47.062 9.944 1.00 15.87 ? 88 ASN A C 1
1114
+ ATOM 694 O O . ASN A 1 88 ? -5.541 45.848 9.868 1.00 17.36 ? 88 ASN A O 1
1115
+ ATOM 695 C CB . ASN A 1 88 ? -7.547 48.180 11.281 1.00 18.60 ? 88 ASN A CB 1
1116
+ ATOM 696 C CG . ASN A 1 88 ? -8.554 47.060 11.178 1.00 20.98 ? 88 ASN A CG 1
1117
+ ATOM 697 O OD1 . ASN A 1 88 ? -8.244 45.856 11.243 1.00 25.05 ? 88 ASN A OD1 1
1118
+ ATOM 698 N ND2 . ASN A 1 88 ? -9.808 47.462 11.030 1.00 28.59 ? 88 ASN A ND2 1
1119
+ ATOM 699 N N . HIS A 1 89 ? -5.575 47.893 8.920 1.00 17.23 ? 89 HIS A N 1
1120
+ ATOM 700 C CA . HIS A 1 89 ? -5.128 47.409 7.603 1.00 15.94 ? 89 HIS A CA 1
1121
+ ATOM 701 C C . HIS A 1 89 ? -3.833 46.602 7.709 1.00 15.05 ? 89 HIS A C 1
1122
+ ATOM 702 O O . HIS A 1 89 ? -3.754 45.448 7.290 1.00 17.09 ? 89 HIS A O 1
1123
+ ATOM 703 C CB . HIS A 1 89 ? -4.951 48.612 6.663 1.00 14.43 ? 89 HIS A CB 1
1124
+ ATOM 704 C CG . HIS A 1 89 ? -4.562 48.197 5.289 1.00 16.01 ? 89 HIS A CG 1
1125
+ ATOM 705 N ND1 . HIS A 1 89 ? -3.907 49.024 4.404 1.00 18.51 ? 89 HIS A ND1 1
1126
+ ATOM 706 C CD2 . HIS A 1 89 ? -4.683 47.003 4.692 1.00 17.99 ? 89 HIS A CD2 1
1127
+ ATOM 707 C CE1 . HIS A 1 89 ? -3.698 48.345 3.275 1.00 17.58 ? 89 HIS A CE1 1
1128
+ ATOM 708 N NE2 . HIS A 1 89 ? -4.125 47.112 3.447 1.00 17.63 ? 89 HIS A NE2 1
1129
+ ATOM 709 N N . LEU A 1 90 ? -2.855 47.186 8.411 1.00 16.03 ? 90 LEU A N 1
1130
+ ATOM 710 C CA . LEU A 1 90 ? -1.572 46.551 8.620 1.00 17.22 ? 90 LEU A CA 1
1131
+ ATOM 711 C C . LEU A 1 90 ? -1.740 45.180 9.271 1.00 15.52 ? 90 LEU A C 1
1132
+ ATOM 712 O O . LEU A 1 90 ? -1.124 44.192 8.851 1.00 15.67 ? 90 LEU A O 1
1133
+ ATOM 713 C CB . LEU A 1 90 ? -0.687 47.468 9.463 1.00 17.35 ? 90 LEU A CB 1
1134
+ ATOM 714 C CG . LEU A 1 90 ? 0.715 47.054 9.801 1.00 18.34 ? 90 LEU A CG 1
1135
+ ATOM 715 C CD1 . LEU A 1 90 ? 1.560 48.282 10.096 1.00 21.04 ? 90 LEU A CD1 1
1136
+ ATOM 716 C CD2 . LEU A 1 90 ? 0.724 46.061 10.962 1.00 16.67 ? 90 LEU A CD2 1
1137
+ ATOM 717 N N . LEU A 1 91 ? -2.536 45.131 10.342 1.00 16.36 ? 91 LEU A N 1
1138
+ ATOM 718 C CA . LEU A 1 91 ? -2.801 43.864 11.015 1.00 16.23 ? 91 LEU A CA 1
1139
+ ATOM 719 C C . LEU A 1 91 ? -3.515 42.831 10.131 1.00 14.57 ? 91 LEU A C 1
1140
+ ATOM 720 O O . LEU A 1 91 ? -3.157 41.633 10.132 1.00 16.91 ? 91 LEU A O 1
1141
+ ATOM 721 C CB . LEU A 1 91 ? -3.581 44.066 12.318 1.00 15.40 ? 91 LEU A CB 1
1142
+ ATOM 722 C CG . LEU A 1 91 ? -2.886 44.953 13.349 1.00 17.81 ? 91 LEU A CG 1
1143
+ ATOM 723 C CD1 . LEU A 1 91 ? -3.846 45.300 14.476 1.00 21.20 ? 91 LEU A CD1 1
1144
+ ATOM 724 C CD2 . LEU A 1 91 ? -1.665 44.227 13.877 1.00 18.71 ? 91 LEU A CD2 1
1145
+ ATOM 725 N N . GLN A 1 92 ? -4.452 43.309 9.319 1.00 15.92 ? 92 GLN A N 1
1146
+ ATOM 726 C CA . GLN A 1 92 ? -5.196 42.408 8.426 1.00 14.88 ? 92 GLN A CA 1
1147
+ ATOM 727 C C . GLN A 1 92 ? -4.270 41.832 7.374 1.00 17.35 ? 92 GLN A C 1
1148
+ ATOM 728 O O . GLN A 1 92 ? -4.334 40.622 7.096 1.00 17.06 ? 92 GLN A O 1
1149
+ ATOM 729 C CB . GLN A 1 92 ? -6.358 43.130 7.764 1.00 17.45 ? 92 GLN A CB 1
1150
+ ATOM 730 C CG . GLN A 1 92 ? -7.386 43.721 8.740 1.00 21.07 ? 92 GLN A CG 1
1151
+ ATOM 731 C CD . GLN A 1 92 ? -8.265 42.701 9.400 1.00 21.54 ? 92 GLN A CD 1
1152
+ ATOM 732 O OE1 . GLN A 1 92 ? -8.248 41.516 9.063 1.00 22.39 ? 92 GLN A OE1 1
1153
+ ATOM 733 N NE2 . GLN A 1 92 ? -9.047 43.158 10.378 1.00 24.50 ? 92 GLN A NE2 1
1154
+ ATOM 734 N N . ARG A 1 93 ? -3.416 42.689 6.807 1.00 16.01 ? 93 ARG A N 1
1155
+ ATOM 735 C CA . ARG A 1 93 ? -2.440 42.220 5.817 1.00 17.16 ? 93 ARG A CA 1
1156
+ ATOM 736 C C . ARG A 1 93 ? -1.446 41.242 6.470 1.00 15.68 ? 93 ARG A C 1
1157
+ ATOM 737 O O . ARG A 1 93 ? -1.101 40.202 5.929 1.00 15.74 ? 93 ARG A O 1
1158
+ ATOM 738 C CB . ARG A 1 93 ? -1.708 43.394 5.192 1.00 16.76 ? 93 ARG A CB 1
1159
+ ATOM 739 C CG . ARG A 1 93 ? -0.565 43.006 4.280 1.00 16.00 ? 93 ARG A CG 1
1160
+ ATOM 740 C CD . ARG A 1 93 ? -1.043 42.179 3.066 1.00 16.09 ? 93 ARG A CD 1
1161
+ ATOM 741 N NE . ARG A 1 93 ? 0.095 41.835 2.219 1.00 20.62 ? 93 ARG A NE 1
1162
+ ATOM 742 C CZ . ARG A 1 93 ? 0.073 40.940 1.217 1.00 20.29 ? 93 ARG A CZ 1
1163
+ ATOM 743 N NH1 . ARG A 1 93 ? -1.027 40.262 0.911 1.00 22.95 ? 93 ARG A NH1 1
1164
+ ATOM 744 N NH2 . ARG A 1 93 ? 1.179 40.693 0.532 1.00 25.52 ? 93 ARG A NH2 1
1165
+ ATOM 745 N N . SER A 1 94 ? -1.019 41.582 7.693 1.00 16.32 ? 94 SER A N 1
1166
+ ATOM 746 C CA . SER A 1 94 ? -0.136 40.722 8.434 1.00 15.00 ? 94 SER A CA 1
1167
+ ATOM 747 C C . SER A 1 94 ? -0.751 39.330 8.674 1.00 15.08 ? 94 SER A C 1
1168
+ ATOM 748 O O . SER A 1 94 ? -0.047 38.319 8.542 1.00 16.70 ? 94 SER A O 1
1169
+ ATOM 749 C CB . SER A 1 94 ? 0.266 41.393 9.748 1.00 16.10 ? 94 SER A CB 1
1170
+ ATOM 750 O OG . SER A 1 94 ? 1.015 42.562 9.552 1.00 17.76 ? 94 SER A OG 1
1171
+ ATOM 751 N N . HIS A 1 95 ? -2.053 39.282 8.987 1.00 15.44 ? 95 HIS A N 1
1172
+ ATOM 752 C CA . HIS A 1 95 ? -2.762 38.020 9.187 1.00 17.77 ? 95 HIS A CA 1
1173
+ ATOM 753 C C . HIS A 1 95 ? -2.770 37.187 7.905 1.00 18.94 ? 95 HIS A C 1
1174
+ ATOM 754 O O . HIS A 1 95 ? -2.542 35.978 7.949 1.00 17.93 ? 95 HIS A O 1
1175
+ ATOM 755 C CB . HIS A 1 95 ? -4.177 38.270 9.695 1.00 18.10 ? 95 HIS A CB 1
1176
+ ATOM 756 C CG . HIS A 1 95 ? -4.828 37.087 10.313 1.00 24.71 ? 95 HIS A CG 1
1177
+ ATOM 757 N ND1 . HIS A 1 95 ? -5.713 36.268 9.654 1.00 32.25 ? 95 HIS A ND1 1
1178
+ ATOM 758 C CD2 . HIS A 1 95 ? -4.752 36.606 11.574 1.00 39.39 ? 95 HIS A CD2 1
1179
+ ATOM 759 C CE1 . HIS A 1 95 ? -6.119 35.306 10.464 1.00 55.80 ? 95 HIS A CE1 1
1180
+ ATOM 760 N NE2 . HIS A 1 95 ? -5.550 35.496 11.634 1.00 45.06 ? 95 HIS A NE2 1
1181
+ ATOM 761 N N . VAL A 1 96 ? -2.995 37.837 6.759 1.00 18.27 ? 96 VAL A N 1
1182
+ ATOM 762 C CA . VAL A 1 96 ? -2.873 37.143 5.485 1.00 16.60 ? 96 VAL A CA 1
1183
+ ATOM 763 C C . VAL A 1 96 ? -1.514 36.498 5.287 1.00 17.41 ? 96 VAL A C 1
1184
+ ATOM 764 O O . VAL A 1 96 ? -1.425 35.311 4.944 1.00 18.80 ? 96 VAL A O 1
1185
+ ATOM 765 C CB . VAL A 1 96 ? -3.237 38.068 4.313 1.00 17.71 ? 96 VAL A CB 1
1186
+ ATOM 766 C CG1 . VAL A 1 96 ? -2.881 37.414 2.992 1.00 19.67 ? 96 VAL A CG1 1
1187
+ ATOM 767 C CG2 . VAL A 1 96 ? -4.719 38.413 4.375 1.00 21.69 ? 96 VAL A CG2 1
1188
+ ATOM 768 N N . LEU A 1 97 ? -0.457 37.258 5.528 1.00 17.02 ? 97 LEU A N 1
1189
+ ATOM 769 C CA . LEU A 1 97 ? 0.884 36.753 5.384 1.00 17.72 ? 97 LEU A CA 1
1190
+ ATOM 770 C C . LEU A 1 97 ? 1.188 35.629 6.370 1.00 18.44 ? 97 LEU A C 1
1191
+ ATOM 771 O O . LEU A 1 97 ? 1.833 34.635 6.013 1.00 18.42 ? 97 LEU A O 1
1192
+ ATOM 772 C CB . LEU A 1 97 ? 1.898 37.866 5.483 1.00 16.64 ? 97 LEU A CB 1
1193
+ ATOM 773 C CG . LEU A 1 97 ? 1.902 38.936 4.373 1.00 16.00 ? 97 LEU A CG 1
1194
+ ATOM 774 C CD1 . LEU A 1 97 ? 2.910 40.035 4.638 1.00 18.26 ? 97 LEU A CD1 1
1195
+ ATOM 775 C CD2 . LEU A 1 97 ? 2.122 38.297 2.996 1.00 19.76 ? 97 LEU A CD2 1
1196
+ ATOM 776 N N . LEU A 1 98 ? 0.720 35.778 7.617 1.00 15.92 ? 98 LEU A N 1
1197
+ ATOM 777 C CA . LEU A 1 98 ? 0.947 34.754 8.589 1.00 16.16 ? 98 LEU A CA 1
1198
+ ATOM 778 C C . LEU A 1 98 ? 0.289 33.455 8.123 1.00 16.75 ? 98 LEU A C 1
1199
+ ATOM 779 O O . LEU A 1 98 ? 0.879 32.378 8.143 1.00 19.16 ? 98 LEU A O 1
1200
+ ATOM 780 C CB . LEU A 1 98 ? 0.359 35.193 9.939 1.00 20.75 ? 98 LEU A CB 1
1201
+ ATOM 781 C CG . LEU A 1 98 ? 0.970 34.534 11.120 1.00 28.79 ? 98 LEU A CG 1
1202
+ ATOM 782 C CD1 . LEU A 1 98 ? 2.465 34.831 11.081 1.00 33.63 ? 98 LEU A CD1 1
1203
+ ATOM 783 C CD2 . LEU A 1 98 ? 0.327 35.158 12.354 1.00 27.24 ? 98 LEU A CD2 1
1204
+ ATOM 784 N N . ASN A 1 99 ? -0.936 33.578 7.665 1.00 18.29 ? 99 ASN A N 1
1205
+ ATOM 785 C CA . ASN A 1 99 ? -1.652 32.420 7.155 1.00 22.35 ? 99 ASN A CA 1
1206
+ ATOM 786 C C . ASN A 1 99 ? -0.954 31.748 5.971 1.00 20.54 ? 99 ASN A C 1
1207
+ ATOM 787 O O . ASN A 1 99 ? -0.928 30.525 5.883 1.00 23.18 ? 99 ASN A O 1
1208
+ ATOM 788 C CB . ASN A 1 99 ? -3.105 32.767 6.865 1.00 27.23 ? 99 ASN A CB 1
1209
+ ATOM 789 C CG . ASN A 1 99 ? -3.978 32.823 8.147 1.00 45.12 ? 99 ASN A CG 1
1210
+ ATOM 790 O OD1 . ASN A 1 99 ? -3.601 32.376 9.281 1.00 38.16 ? 99 ASN A OD1 1
1211
+ ATOM 791 N ND2 . ASN A 1 99 ? -5.174 33.368 7.967 1.00 46.29 ? 99 ASN A ND2 1
1212
+ ATOM 792 N N . GLN A 1 100 ? -0.342 32.545 5.106 1.00 19.38 ? 100 GLN A N 1
1213
+ ATOM 793 C CA . GLN A 1 100 ? 0.452 32.012 3.993 1.00 20.87 ? 100 GLN A CA 1
1214
+ ATOM 794 C C . GLN A 1 100 ? 1.615 31.183 4.523 1.00 21.57 ? 100 GLN A C 1
1215
+ ATOM 795 O O . GLN A 1 100 ? 1.945 30.125 3.978 1.00 23.43 ? 100 GLN A O 1
1216
+ ATOM 796 C CB . GLN A 1 100 ? 1.019 33.140 3.131 1.00 23.14 ? 100 GLN A CB 1
1217
+ ATOM 797 C CG . GLN A 1 100 ? -0.033 33.805 2.263 1.00 27.57 ? 100 GLN A CG 1
1218
+ ATOM 798 C CD . GLN A 1 100 ? 0.502 34.953 1.433 1.00 32.03 ? 100 GLN A CD 1
1219
+ ATOM 799 O OE1 . GLN A 1 100 ? 1.699 35.262 1.467 1.00 30.35 ? 100 GLN A OE1 1
1220
+ ATOM 800 N NE2 . GLN A 1 100 ? -0.386 35.593 0.671 1.00 36.16 ? 100 GLN A NE2 1
1221
+ ATOM 801 N N . HIS A 1 101 ? 2.240 31.673 5.588 1.00 21.94 ? 101 HIS A N 1
1222
+ ATOM 802 C CA . HIS A 1 101 ? 3.356 30.952 6.196 1.00 21.17 ? 101 HIS A CA 1
1223
+ ATOM 803 C C . HIS A 1 101 ? 2.920 29.613 6.772 1.00 24.19 ? 101 HIS A C 1
1224
+ ATOM 804 O O . HIS A 1 101 ? 3.605 28.606 6.562 1.00 23.64 ? 101 HIS A O 1
1225
+ ATOM 805 C CB . HIS A 1 101 ? 4.032 31.791 7.268 1.00 21.47 ? 101 HIS A CB 1
1226
+ ATOM 806 C CG . HIS A 1 101 ? 5.018 32.786 6.746 1.00 19.64 ? 101 HIS A CG 1
1227
+ ATOM 807 N ND1 . HIS A 1 101 ? 4.654 33.965 6.123 1.00 19.02 ? 101 HIS A ND1 1
1228
+ ATOM 808 C CD2 . HIS A 1 101 ? 6.366 32.768 6.762 1.00 19.89 ? 101 HIS A CD2 1
1229
+ ATOM 809 C CE1 . HIS A 1 101 ? 5.748 34.637 5.804 1.00 21.52 ? 101 HIS A CE1 1
1230
+ ATOM 810 N NE2 . HIS A 1 101 ? 6.801 33.935 6.198 1.00 20.53 ? 101 HIS A NE2 1
1231
+ ATOM 811 N N . PHE A 1 102 ? 1.781 29.580 7.474 1.00 21.53 ? 102 PHE A N 1
1232
+ ATOM 812 C CA . PHE A 1 102 ? 1.234 28.309 7.955 1.00 22.59 ? 102 PHE A CA 1
1233
+ ATOM 813 C C . PHE A 1 102 ? 0.954 27.386 6.767 1.00 26.07 ? 102 PHE A C 1
1234
+ ATOM 814 O O . PHE A 1 102 ? 1.322 26.210 6.766 1.00 26.22 ? 102 PHE A O 1
1235
+ ATOM 815 C CB . PHE A 1 102 ? -0.061 28.495 8.748 1.00 21.86 ? 102 PHE A CB 1
1236
+ ATOM 816 C CG . PHE A 1 102 ? 0.117 29.106 10.134 1.00 21.05 ? 102 PHE A CG 1
1237
+ ATOM 817 C CD1 . PHE A 1 102 ? 0.945 28.505 11.074 1.00 23.80 ? 102 PHE A CD1 1
1238
+ ATOM 818 C CD2 . PHE A 1 102 ? -0.566 30.255 10.500 1.00 22.30 ? 102 PHE A CD2 1
1239
+ ATOM 819 C CE1 . PHE A 1 102 ? 1.080 29.035 12.359 1.00 24.97 ? 102 PHE A CE1 1
1240
+ ATOM 820 C CE2 . PHE A 1 102 ? -0.443 30.776 11.797 1.00 23.91 ? 102 PHE A CE2 1
1241
+ ATOM 821 C CZ . PHE A 1 102 ? 0.397 30.171 12.700 1.00 25.27 ? 102 PHE A CZ 1
1242
+ ATOM 822 N N . ASP A 1 103 ? 0.299 27.918 5.745 1.00 23.15 ? 103 ASP A N 1
1243
+ ATOM 823 C CA . ASP A 1 103 ? -0.009 27.126 4.557 1.00 25.81 ? 103 ASP A CA 1
1244
+ ATOM 824 C C . ASP A 1 103 ? 1.233 26.479 3.940 1.00 25.69 ? 103 ASP A C 1
1245
+ ATOM 825 O O . ASP A 1 103 ? 1.208 25.299 3.549 1.00 31.42 ? 103 ASP A O 1
1246
+ ATOM 826 C CB . ASP A 1 103 ? -0.715 27.998 3.520 1.00 27.94 ? 103 ASP A CB 1
1247
+ ATOM 827 C CG . ASP A 1 103 ? -2.150 28.305 3.892 1.00 33.37 ? 103 ASP A CG 1
1248
+ ATOM 828 O OD1 . ASP A 1 103 ? -2.660 27.702 4.870 1.00 38.02 ? 103 ASP A OD1 1
1249
+ ATOM 829 O OD2 . ASP A 1 103 ? -2.767 29.160 3.229 1.00 125.14 ? 103 ASP A OD2 1
1250
+ ATOM 830 N N . ASN A 1 104 ? 2.310 27.252 3.866 1.00 26.12 ? 104 ASN A N 1
1251
+ ATOM 831 C CA . ASN A 1 104 ? 3.582 26.805 3.293 1.00 32.01 ? 104 ASN A CA 1
1252
+ ATOM 832 C C . ASN A 1 104 ? 4.169 25.600 4.038 1.00 34.23 ? 104 ASN A C 1
1253
+ ATOM 833 O O . ASN A 1 104 ? 4.834 24.748 3.418 1.00 32.42 ? 104 ASN A O 1
1254
+ ATOM 834 C CB . ASN A 1 104 ? 4.602 27.948 3.308 1.00 34.51 ? 104 ASN A CB 1
1255
+ ATOM 835 C CG . ASN A 1 104 ? 5.984 27.514 2.824 1.00 40.05 ? 104 ASN A CG 1
1256
+ ATOM 836 O OD1 . ASN A 1 104 ? 6.940 27.360 3.607 1.00 51.67 ? 104 ASN A OD1 1
1257
+ ATOM 837 N ND2 . ASN A 1 104 ? 6.088 27.300 1.548 1.00 38.74 ? 104 ASN A ND2 1
1258
+ ATOM 838 N N . MET A 1 105 ? 3.915 25.561 5.352 1.00 32.46 ? 105 MET A N 1
1259
+ ATOM 839 C CA . MET A 1 105 ? 4.369 24.480 6.262 1.00 30.77 ? 105 MET A CA 1
1260
+ ATOM 840 C C . MET A 1 105 ? 3.376 23.332 6.385 1.00 29.85 ? 105 MET A C 1
1261
+ ATOM 841 O O . MET A 1 105 ? 3.629 22.378 7.118 1.00 36.64 ? 105 MET A O 1
1262
+ ATOM 842 C CB . MET A 1 105 ? 4.562 24.988 7.703 1.00 33.06 ? 105 MET A CB 1
1263
+ ATOM 843 C CG . MET A 1 105 ? 5.431 26.196 7.873 1.00 41.73 ? 105 MET A CG 1
1264
+ ATOM 844 S SD . MET A 1 105 ? 6.041 26.234 9.555 1.00 51.61 ? 105 MET A SD 1
1265
+ ATOM 845 C CE . MET A 1 105 ? 7.316 24.999 9.347 1.00 34.98 ? 105 MET A CE 1
1266
+ ATOM 846 N N . ASN A 1 106 ? 2.249 23.437 5.684 1.00 27.27 ? 106 ASN A N 1
1267
+ ATOM 847 C CA . ASN A 1 106 ? 1.139 22.496 5.816 1.00 32.55 ? 106 ASN A CA 1
1268
+ ATOM 848 C C . ASN A 1 106 ? 0.704 22.335 7.260 1.00 33.51 ? 106 ASN A C 1
1269
+ ATOM 849 O O . ASN A 1 106 ? 0.423 21.226 7.733 1.00 39.49 ? 106 ASN A O 1
1270
+ ATOM 850 C CB . ASN A 1 106 ? 1.487 21.156 5.166 1.00 34.91 ? 106 ASN A CB 1
1271
+ ATOM 851 C CG . ASN A 1 106 ? 1.846 21.322 3.695 1.00 44.33 ? 106 ASN A CG 1
1272
+ ATOM 852 O OD1 . ASN A 1 106 ? 1.091 21.933 2.940 1.00 58.25 ? 106 ASN A OD1 1
1273
+ ATOM 853 N ND2 . ASN A 1 106 ? 3.006 20.811 3.288 1.00 52.95 ? 106 ASN A ND2 1
1274
+ ATOM 854 N N . VAL A 1 107 ? 0.671 23.459 7.969 1.00 32.47 ? 107 VAL A N 1
1275
+ ATOM 855 C CA . VAL A 1 107 ? 0.138 23.481 9.336 1.00 31.87 ? 107 VAL A CA 1
1276
+ ATOM 856 C C . VAL A 1 107 ? -0.986 24.505 9.410 1.00 26.81 ? 107 VAL A C 1
1277
+ ATOM 857 O O . VAL A 1 107 ? -1.116 25.356 8.523 1.00 36.78 ? 107 VAL A O 1
1278
+ ATOM 858 C CB . VAL A 1 107 ? 1.229 23.740 10.408 1.00 38.43 ? 107 VAL A CB 1
1279
+ ATOM 859 C CG1 . VAL A 1 107 ? 2.354 22.741 10.264 1.00 36.38 ? 107 VAL A CG1 1
1280
+ ATOM 860 C CG2 . VAL A 1 107 ? 1.785 25.143 10.336 1.00 39.17 ? 107 VAL A CG2 1
1281
+ ATOM 861 N N . LYS A 1 108 ? -1.827 24.372 10.434 1.00 34.61 ? 108 LYS A N 1
1282
+ ATOM 862 C CA . LYS A 1 108 ? -2.860 25.355 10.743 1.00 37.52 ? 108 LYS A CA 1
1283
+ ATOM 863 C C . LYS A 1 108 ? -2.438 26.105 11.997 1.00 35.14 ? 108 LYS A C 1
1284
+ ATOM 864 O O . LYS A 1 108 ? -1.678 25.573 12.802 1.00 30.33 ? 108 LYS A O 1
1285
+ ATOM 865 C CB . LYS A 1 108 ? -4.193 24.659 11.022 1.00 43.53 ? 108 LYS A CB 1
1286
+ ATOM 866 C CG . LYS A 1 108 ? -4.678 23.731 9.914 1.00 50.73 ? 108 LYS A CG 1
1287
+ ATOM 867 C CD . LYS A 1 108 ? -5.292 24.490 8.747 1.00 61.15 ? 108 LYS A CD 1
1288
+ ATOM 868 C CE . LYS A 1 108 ? -6.179 23.584 7.913 1.00 75.13 ? 108 LYS A CE 1
1289
+ ATOM 869 N NZ . LYS A 1 108 ? -7.355 23.096 8.691 1.00 84.55 ? 108 LYS A NZ 1
1290
+ ATOM 870 N N . SER A 1 109 ? -2.929 27.331 12.180 1.00 34.77 ? 109 SER A N 1
1291
+ ATOM 871 C CA . SER A 1 109 ? -2.773 27.975 13.475 1.00 30.02 ? 109 SER A CA 1
1292
+ ATOM 872 C C . SER A 1 109 ? -3.544 27.144 14.474 1.00 31.62 ? 109 SER A C 1
1293
+ ATOM 873 O O . SER A 1 109 ? -4.565 26.547 14.121 1.00 28.58 ? 109 SER A O 1
1294
+ ATOM 874 C CB . SER A 1 109 ? -3.302 29.401 13.493 1.00 34.79 ? 109 SER A CB 1
1295
+ ATOM 875 O OG . SER A 1 109 ? -4.707 29.418 13.478 1.00 39.01 ? 109 SER A OG 1
1296
+ ATOM 876 N N . ASN A 1 110 ? -3.042 27.113 15.708 1.00 30.46 ? 110 ASN A N 1
1297
+ ATOM 877 C CA . ASN A 1 110 ? -3.707 26.413 16.811 1.00 27.23 ? 110 ASN A CA 1
1298
+ ATOM 878 C C . ASN A 1 110 ? -5.206 26.796 16.900 1.00 33.31 ? 110 ASN A C 1
1299
+ ATOM 879 O O . ASN A 1 110 ? -6.054 25.938 17.146 1.00 39.20 ? 110 ASN A O 1
1300
+ ATOM 880 C CB . ASN A 1 110 ? -2.983 26.697 18.127 1.00 31.25 ? 110 ASN A CB 1
1301
+ ATOM 881 C CG . ASN A 1 110 ? -1.573 26.103 18.188 1.00 31.38 ? 110 ASN A CG 1
1302
+ ATOM 882 O OD1 . ASN A 1 110 ? -1.225 25.205 17.426 1.00 36.07 ? 110 ASN A OD1 1
1303
+ ATOM 883 N ND2 . ASN A 1 110 ? -0.767 26.588 19.138 1.00 31.57 ? 110 ASN A ND2 1
1304
+ ATOM 884 N N . GLN A 1 111 ? -5.475 28.096 16.737 1.00 37.94 ? 111 GLN A N 1
1305
+ ATOM 885 C CA . GLN A 1 111 ? -6.702 28.692 16.134 1.00 52.13 ? 111 GLN A CA 1
1306
+ ATOM 886 C C . GLN A 1 111 ? -7.274 29.683 17.092 1.00 42.89 ? 111 GLN A C 1
1307
+ ATOM 887 O O . GLN A 1 111 ? -6.645 30.713 17.322 1.00 59.73 ? 111 GLN A O 1
1308
+ ATOM 888 C CB . GLN A 1 111 ? -7.765 27.706 15.578 1.00 46.87 ? 111 GLN A CB 1
1309
+ ATOM 889 C CG . GLN A 1 111 ? -7.509 27.303 14.126 1.00 50.05 ? 111 GLN A CG 1
1310
+ ATOM 890 C CD . GLN A 1 111 ? -7.859 25.842 13.838 1.00 66.81 ? 111 GLN A CD 1
1311
+ ATOM 891 O OE1 . GLN A 1 111 ? -6.998 24.954 13.887 1.00 58.96 ? 111 GLN A OE1 1
1312
+ ATOM 892 N NE2 . GLN A 1 111 ? -9.125 25.587 13.546 1.00 59.57 ? 111 GLN A NE2 1
1313
+ #
1314
+ loop_
1315
+ _pdbx_audit_revision_history.ordinal
1316
+ _pdbx_audit_revision_history.data_content_type
1317
+ _pdbx_audit_revision_history.major_revision
1318
+ _pdbx_audit_revision_history.minor_revision
1319
+ _pdbx_audit_revision_history.revision_date
1320
+ 1 'Structure model' 1 0 2014-03-26
1321
+ 2 'Structure model' 1 1 2014-04-16
1322
+ 3 'Structure model' 1 2 2022-08-24
1323
+ #
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@@ -0,0 +1,1178 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_3WMQ_A
2
+ #
3
+ _pdbx_database_status.entry_id 3WMQ_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
+ ;RLIHVSRCEMGTSTHRCWPRPCDTSSDEPISFWPPFENTPNVIVSFGMLDVDNSNNLRVNSSADDVTVGGFTLHYNSWYT
22
+ TTVWNYKLIWIACD
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;RLIHVSRCEMGTSTHRCWPRPCDTSSDEPISFWPPFENTPNVIVSFGMLDVDNSNNLRVNSSADDVTVGGFTLHYNSWYT
26
+ TTVWNYKLIWIACD
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 ARG n
37
+ 1 2 LEU n
38
+ 1 3 ILE n
39
+ 1 4 HIS n
40
+ 1 5 VAL n
41
+ 1 6 SER n
42
+ 1 7 ARG n
43
+ 1 8 CYS n
44
+ 1 9 GLU n
45
+ 1 10 MET n
46
+ 1 11 GLY n
47
+ 1 12 THR n
48
+ 1 13 SER n
49
+ 1 14 THR n
50
+ 1 15 HIS n
51
+ 1 16 ARG n
52
+ 1 17 CYS n
53
+ 1 18 TRP n
54
+ 1 19 PRO n
55
+ 1 20 ARG n
56
+ 1 21 PRO n
57
+ 1 22 CYS n
58
+ 1 23 ASP n
59
+ 1 24 THR n
60
+ 1 25 SER n
61
+ 1 26 SER n
62
+ 1 27 ASP n
63
+ 1 28 GLU n
64
+ 1 29 PRO n
65
+ 1 30 ILE n
66
+ 1 31 SER n
67
+ 1 32 PHE n
68
+ 1 33 TRP n
69
+ 1 34 PRO n
70
+ 1 35 PRO n
71
+ 1 36 PHE n
72
+ 1 37 GLU n
73
+ 1 38 ASN n
74
+ 1 39 THR n
75
+ 1 40 PRO n
76
+ 1 41 ASN n
77
+ 1 42 VAL n
78
+ 1 43 ILE n
79
+ 1 44 VAL n
80
+ 1 45 SER n
81
+ 1 46 PHE n
82
+ 1 47 GLY n
83
+ 1 48 MET n
84
+ 1 49 LEU n
85
+ 1 50 ASP n
86
+ 1 51 VAL n
87
+ 1 52 ASP n
88
+ 1 53 ASN n
89
+ 1 54 SER n
90
+ 1 55 ASN n
91
+ 1 56 ASN n
92
+ 1 57 LEU n
93
+ 1 58 ARG n
94
+ 1 59 VAL n
95
+ 1 60 ASN n
96
+ 1 61 SER n
97
+ 1 62 SER n
98
+ 1 63 ALA n
99
+ 1 64 ASP n
100
+ 1 65 ASP n
101
+ 1 66 VAL n
102
+ 1 67 THR n
103
+ 1 68 VAL n
104
+ 1 69 GLY n
105
+ 1 70 GLY n
106
+ 1 71 PHE n
107
+ 1 72 THR n
108
+ 1 73 LEU n
109
+ 1 74 HIS n
110
+ 1 75 TYR n
111
+ 1 76 ASN n
112
+ 1 77 SER n
113
+ 1 78 TRP n
114
+ 1 79 TYR n
115
+ 1 80 THR n
116
+ 1 81 THR n
117
+ 1 82 THR n
118
+ 1 83 VAL n
119
+ 1 84 TRP n
120
+ 1 85 ASN n
121
+ 1 86 TYR n
122
+ 1 87 LYS n
123
+ 1 88 LEU n
124
+ 1 89 ILE n
125
+ 1 90 TRP n
126
+ 1 91 ILE n
127
+ 1 92 ALA n
128
+ 1 93 CYS n
129
+ 1 94 ASP n
130
+ #
131
+ _entity.id 1
132
+ _entity.type polymer
133
+ _entity.src_method man
134
+ _entity.pdbx_description ?
135
+ _entity.formula_weight 10796.001
136
+ _entity.pdbx_number_of_molecules 1
137
+ _entity.pdbx_ec ?
138
+ _entity.pdbx_mutation ?
139
+ _entity.pdbx_fragment ?
140
+ _entity.details ?
141
+ #
142
+ loop_
143
+ _pdbx_poly_seq_scheme.asym_id
144
+ _pdbx_poly_seq_scheme.entity_id
145
+ _pdbx_poly_seq_scheme.seq_id
146
+ _pdbx_poly_seq_scheme.mon_id
147
+ _pdbx_poly_seq_scheme.ndb_seq_num
148
+ _pdbx_poly_seq_scheme.pdb_seq_num
149
+ _pdbx_poly_seq_scheme.auth_seq_num
150
+ _pdbx_poly_seq_scheme.pdb_mon_id
151
+ _pdbx_poly_seq_scheme.auth_mon_id
152
+ _pdbx_poly_seq_scheme.pdb_strand_id
153
+ _pdbx_poly_seq_scheme.pdb_ins_code
154
+ _pdbx_poly_seq_scheme.hetero
155
+ A 1 1 ARG 1 1 1 ARG ARG A . n
156
+ A 1 2 LEU 2 2 2 LEU LEU A . n
157
+ A 1 3 ILE 3 3 3 ILE ILE A . n
158
+ A 1 4 HIS 4 4 4 HIS HIS A . n
159
+ A 1 5 VAL 5 5 5 VAL VAL A . n
160
+ A 1 6 SER 6 6 6 SER SER A . n
161
+ A 1 7 ARG 7 7 7 ARG ARG A . n
162
+ A 1 8 CYS 8 8 8 CYS CYS A . n
163
+ A 1 9 GLU 9 9 9 GLU GLU A . n
164
+ A 1 10 MET 10 10 10 MET MET A . n
165
+ A 1 11 GLY 11 11 11 GLY GLY A . n
166
+ A 1 12 THR 12 12 12 THR THR A . n
167
+ A 1 13 SER 13 13 13 SER SER A . n
168
+ A 1 14 THR 14 14 14 THR THR A . n
169
+ A 1 15 HIS 15 15 15 HIS HIS A . n
170
+ A 1 16 ARG 16 16 16 ARG ARG A . n
171
+ A 1 17 CYS 17 17 17 CYS CYS A . n
172
+ A 1 18 TRP 18 18 18 TRP TRP A . n
173
+ A 1 19 PRO 19 19 19 PRO PRO A . n
174
+ A 1 20 ARG 20 20 20 ARG ARG A . n
175
+ A 1 21 PRO 21 21 21 PRO PRO A . n
176
+ A 1 22 CYS 22 22 22 CYS CYS A . n
177
+ A 1 23 ASP 23 23 23 ASP ASP A . n
178
+ A 1 24 THR 24 24 24 THR THR A . n
179
+ A 1 25 SER 25 25 25 SER SER A . n
180
+ A 1 26 SER 26 26 26 SER SER A . n
181
+ A 1 27 ASP 27 27 27 ASP ASP A . n
182
+ A 1 28 GLU 28 28 28 GLU GLU A . n
183
+ A 1 29 PRO 29 29 29 PRO PRO A . n
184
+ A 1 30 ILE 30 30 30 ILE ILE A . n
185
+ A 1 31 SER 31 31 31 SER SER A . n
186
+ A 1 32 PHE 32 32 32 PHE PHE A . n
187
+ A 1 33 TRP 33 33 33 TRP TRP A . n
188
+ A 1 34 PRO 34 34 34 PRO PRO A . n
189
+ A 1 35 PRO 35 35 35 PRO PRO A . n
190
+ A 1 36 PHE 36 36 36 PHE PHE A . n
191
+ A 1 37 GLU 37 37 37 GLU GLU A . n
192
+ A 1 38 ASN 38 38 38 ASN ASN A . n
193
+ A 1 39 THR 39 39 39 THR THR A . n
194
+ A 1 40 PRO 40 40 40 PRO PRO A . n
195
+ A 1 41 ASN 41 41 41 ASN ASN A . n
196
+ A 1 42 VAL 42 42 42 VAL VAL A . n
197
+ A 1 43 ILE 43 43 43 ILE ILE A . n
198
+ A 1 44 VAL 44 44 44 VAL VAL A . n
199
+ A 1 45 SER 45 45 45 SER SER A . n
200
+ A 1 46 PHE 46 46 46 PHE PHE A . n
201
+ A 1 47 GLY 47 47 47 GLY GLY A . n
202
+ A 1 48 MET 48 48 48 MET MET A . n
203
+ A 1 49 LEU 49 49 49 LEU LEU A . n
204
+ A 1 50 ASP 50 50 50 ASP ASP A . n
205
+ A 1 51 VAL 51 51 51 VAL VAL A . n
206
+ A 1 52 ASP 52 52 52 ASP ASP A . n
207
+ A 1 53 ASN 53 53 53 ASN ASN A . n
208
+ A 1 54 SER 54 54 54 SER SER A . n
209
+ A 1 55 ASN 55 55 55 ASN ASN A . n
210
+ A 1 56 ASN 56 56 56 ASN ASN A . n
211
+ A 1 57 LEU 57 57 57 LEU LEU A . n
212
+ A 1 58 ARG 58 58 58 ARG ARG A . n
213
+ A 1 59 VAL 59 59 59 VAL VAL A . n
214
+ A 1 60 ASN 60 60 60 ASN ASN A . n
215
+ A 1 61 SER 61 61 61 SER SER A . n
216
+ A 1 62 SER 62 62 62 SER SER A . n
217
+ A 1 63 ALA 63 63 63 ALA ALA A . n
218
+ A 1 64 ASP 64 64 64 ASP ASP A . n
219
+ A 1 65 ASP 65 65 65 ASP ASP A . n
220
+ A 1 66 VAL 66 66 66 VAL VAL A . n
221
+ A 1 67 THR 67 67 67 THR THR A . n
222
+ A 1 68 VAL 68 68 68 VAL VAL A . n
223
+ A 1 69 GLY 69 69 69 GLY GLY A . n
224
+ A 1 70 GLY 70 70 70 GLY GLY A . n
225
+ A 1 71 PHE 71 71 71 PHE PHE A . n
226
+ A 1 72 THR 72 72 72 THR THR A . n
227
+ A 1 73 LEU 73 73 73 LEU LEU A . n
228
+ A 1 74 HIS 74 74 74 HIS HIS A . n
229
+ A 1 75 TYR 75 75 75 TYR TYR A . n
230
+ A 1 76 ASN 76 76 76 ASN ASN A . n
231
+ A 1 77 SER 77 77 77 SER SER A . n
232
+ A 1 78 TRP 78 78 78 TRP TRP A . n
233
+ A 1 79 TYR 79 79 79 TYR TYR A . n
234
+ A 1 80 THR 80 80 80 THR THR A . n
235
+ A 1 81 THR 81 81 81 THR THR A . n
236
+ A 1 82 THR 82 82 82 THR THR A . n
237
+ A 1 83 VAL 83 83 83 VAL VAL A . n
238
+ A 1 84 TRP 84 84 84 TRP TRP A . n
239
+ A 1 85 ASN 85 85 85 ASN ASN A . n
240
+ A 1 86 TYR 86 86 86 TYR TYR A . n
241
+ A 1 87 LYS 87 87 87 LYS LYS A . n
242
+ A 1 88 LEU 88 88 88 LEU LEU A . n
243
+ A 1 89 ILE 89 89 89 ILE ILE A . n
244
+ A 1 90 TRP 90 90 90 TRP TRP A . n
245
+ A 1 91 ILE 91 91 91 ILE ILE A . n
246
+ A 1 92 ALA 92 92 92 ALA ALA A . n
247
+ A 1 93 CYS 93 93 93 CYS CYS A . n
248
+ A 1 94 ASP 94 94 94 ASP ASP A . n
249
+ #
250
+ loop_
251
+ _chem_comp.id
252
+ _chem_comp.type
253
+ _chem_comp.mon_nstd_flag
254
+ _chem_comp.name
255
+ _chem_comp.pdbx_synonyms
256
+ _chem_comp.formula
257
+ _chem_comp.formula_weight
258
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
259
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
260
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
261
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
262
+ CYS "L-peptide linking" y CYSTEINE ? "C3 H7 N O2 S" 121.158
263
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
264
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
265
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
266
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
267
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
268
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
269
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
270
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
271
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
272
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
273
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
274
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
275
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
276
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
277
+ #
278
+ _struct_asym.id A
279
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
280
+ _struct_asym.pdbx_modified N
281
+ _struct_asym.entity_id 1
282
+ _struct_asym.details ?
283
+ #
284
+ loop_
285
+ _struct_mon_prot_cis.pdbx_id
286
+ _struct_mon_prot_cis.label_comp_id
287
+ _struct_mon_prot_cis.label_seq_id
288
+ _struct_mon_prot_cis.label_asym_id
289
+ _struct_mon_prot_cis.label_alt_id
290
+ _struct_mon_prot_cis.pdbx_PDB_ins_code
291
+ _struct_mon_prot_cis.auth_comp_id
292
+ _struct_mon_prot_cis.auth_seq_id
293
+ _struct_mon_prot_cis.auth_asym_id
294
+ _struct_mon_prot_cis.pdbx_label_comp_id_2
295
+ _struct_mon_prot_cis.pdbx_label_seq_id_2
296
+ _struct_mon_prot_cis.pdbx_label_asym_id_2
297
+ _struct_mon_prot_cis.pdbx_PDB_ins_code_2
298
+ _struct_mon_prot_cis.pdbx_auth_comp_id_2
299
+ _struct_mon_prot_cis.pdbx_auth_seq_id_2
300
+ _struct_mon_prot_cis.pdbx_auth_asym_id_2
301
+ _struct_mon_prot_cis.pdbx_PDB_model_num
302
+ _struct_mon_prot_cis.pdbx_omega_angle
303
+ 1 TRP 18 A . ? TRP 18 A PRO 19 A ? PRO 19 A 1 0.67
304
+ 2 TRP 33 A . ? TRP 33 A PRO 34 A ? PRO 34 A 1 -0.36
305
+ #
306
+ _atom_sites.entry_id 3WMQ_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 8 ? ? SG A CYS 93 ? ? 2.04
337
+ 2 1 SG A CYS 17 ? ? SG A CYS 22 ? ? 2.04
338
+ #
339
+ _pdbx_validate_rmsd_angle.id 1
340
+ _pdbx_validate_rmsd_angle.PDB_model_num 1
341
+ _pdbx_validate_rmsd_angle.auth_atom_id_1 CA
342
+ _pdbx_validate_rmsd_angle.auth_asym_id_1 A
343
+ _pdbx_validate_rmsd_angle.auth_comp_id_1 CYS
344
+ _pdbx_validate_rmsd_angle.auth_seq_id_1 93
345
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1 ?
346
+ _pdbx_validate_rmsd_angle.label_alt_id_1 ?
347
+ _pdbx_validate_rmsd_angle.auth_atom_id_2 CB
348
+ _pdbx_validate_rmsd_angle.auth_asym_id_2 A
349
+ _pdbx_validate_rmsd_angle.auth_comp_id_2 CYS
350
+ _pdbx_validate_rmsd_angle.auth_seq_id_2 93
351
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2 ?
352
+ _pdbx_validate_rmsd_angle.label_alt_id_2 ?
353
+ _pdbx_validate_rmsd_angle.auth_atom_id_3 SG
354
+ _pdbx_validate_rmsd_angle.auth_asym_id_3 A
355
+ _pdbx_validate_rmsd_angle.auth_comp_id_3 CYS
356
+ _pdbx_validate_rmsd_angle.auth_seq_id_3 93
357
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3 ?
358
+ _pdbx_validate_rmsd_angle.label_alt_id_3 ?
359
+ _pdbx_validate_rmsd_angle.angle_value 120.82
360
+ _pdbx_validate_rmsd_angle.angle_target_value 114.20
361
+ _pdbx_validate_rmsd_angle.angle_deviation 6.62
362
+ _pdbx_validate_rmsd_angle.angle_standard_deviation 1.10
363
+ _pdbx_validate_rmsd_angle.linker_flag N
364
+ #
365
+ loop_
366
+ _pdbx_validate_torsion.id
367
+ _pdbx_validate_torsion.PDB_model_num
368
+ _pdbx_validate_torsion.auth_comp_id
369
+ _pdbx_validate_torsion.auth_asym_id
370
+ _pdbx_validate_torsion.auth_seq_id
371
+ _pdbx_validate_torsion.PDB_ins_code
372
+ _pdbx_validate_torsion.label_alt_id
373
+ _pdbx_validate_torsion.phi
374
+ _pdbx_validate_torsion.psi
375
+ 1 1 PRO A 19 ? ? -78.89 23.73
376
+ 2 1 TYR A 79 ? ? 47.99 -137.17
377
+ #
378
+ loop_
379
+ _atom_type.symbol
380
+ C
381
+ N
382
+ O
383
+ S
384
+ #
385
+ _entry.id 3WMQ_A
386
+ #
387
+ loop_
388
+ _atom_site.group_PDB
389
+ _atom_site.id
390
+ _atom_site.type_symbol
391
+ _atom_site.label_atom_id
392
+ _atom_site.label_alt_id
393
+ _atom_site.label_comp_id
394
+ _atom_site.label_asym_id
395
+ _atom_site.label_entity_id
396
+ _atom_site.label_seq_id
397
+ _atom_site.pdbx_PDB_ins_code
398
+ _atom_site.Cartn_x
399
+ _atom_site.Cartn_y
400
+ _atom_site.Cartn_z
401
+ _atom_site.occupancy
402
+ _atom_site.B_iso_or_equiv
403
+ _atom_site.pdbx_formal_charge
404
+ _atom_site.auth_seq_id
405
+ _atom_site.auth_comp_id
406
+ _atom_site.auth_asym_id
407
+ _atom_site.auth_atom_id
408
+ _atom_site.pdbx_PDB_model_num
409
+ ATOM 1 N N . ARG A 1 1 ? -46.415 -44.484 -36.527 1.00 25.68 ? 1 ARG A N 1
410
+ ATOM 2 C CA . ARG A 1 1 ? -46.294 -44.566 -35.048 1.00 25.70 ? 1 ARG A CA 1
411
+ ATOM 3 C C . ARG A 1 1 ? -45.965 -43.191 -34.487 1.00 25.19 ? 1 ARG A C 1
412
+ ATOM 4 O O . ARG A 1 1 ? -45.504 -42.312 -35.214 1.00 23.73 ? 1 ARG A O 1
413
+ ATOM 5 C CB . ARG A 1 1 ? -45.183 -45.543 -34.649 1.00 27.06 ? 1 ARG A CB 1
414
+ ATOM 6 C CG . ARG A 1 1 ? -43.783 -45.072 -35.033 1.00 29.68 ? 1 ARG A CG 1
415
+ ATOM 7 C CD . ARG A 1 1 ? -42.719 -46.101 -34.668 1.00 32.13 ? 1 ARG A CD 1
416
+ ATOM 8 N NE . ARG A 1 1 ? -41.368 -45.634 -34.979 1.00 35.39 ? 1 ARG A NE 1
417
+ ATOM 9 C CZ . ARG A 1 1 ? -40.824 -45.632 -36.194 1.00 36.91 ? 1 ARG A CZ 1
418
+ ATOM 10 N NH1 . ARG A 1 1 ? -41.508 -46.080 -37.240 1.00 37.65 ? 1 ARG A NH1 1
419
+ ATOM 11 N NH2 . ARG A 1 1 ? -39.592 -45.170 -36.366 1.00 37.96 ? 1 ARG A NH2 1
420
+ ATOM 12 N N . LEU A 1 2 ? -46.200 -43.013 -33.192 1.00 25.48 ? 2 LEU A N 1
421
+ ATOM 13 C CA . LEU A 1 2 ? -45.909 -41.747 -32.534 1.00 26.04 ? 2 LEU A CA 1
422
+ ATOM 14 C C . LEU A 1 2 ? -44.457 -41.735 -32.084 1.00 25.66 ? 2 LEU A C 1
423
+ ATOM 15 O O . LEU A 1 2 ? -44.017 -42.648 -31.390 1.00 26.36 ? 2 LEU A O 1
424
+ ATOM 16 C CB . LEU A 1 2 ? -46.818 -41.558 -31.316 1.00 27.96 ? 2 LEU A CB 1
425
+ ATOM 17 C CG . LEU A 1 2 ? -48.058 -40.683 -31.483 1.00 29.74 ? 2 LEU A CG 1
426
+ ATOM 18 C CD1 . LEU A 1 2 ? -48.861 -40.658 -30.187 1.00 31.30 ? 2 LEU A CD1 1
427
+ ATOM 19 C CD2 . LEU A 1 2 ? -47.619 -39.274 -31.860 1.00 31.20 ? 2 LEU A CD2 1
428
+ ATOM 20 N N . ILE A 1 3 ? -43.707 -40.720 -32.499 1.00 24.71 ? 3 ILE A N 1
429
+ ATOM 21 C CA . ILE A 1 3 ? -42.317 -40.607 -32.076 1.00 24.96 ? 3 ILE A CA 1
430
+ ATOM 22 C C . ILE A 1 3 ? -42.016 -39.169 -31.701 1.00 24.45 ? 3 ILE A C 1
431
+ ATOM 23 O O . ILE A 1 3 ? -42.743 -38.249 -32.077 1.00 23.15 ? 3 ILE A O 1
432
+ ATOM 24 C CB . ILE A 1 3 ? -41.296 -41.051 -33.165 1.00 25.57 ? 3 ILE A CB 1
433
+ ATOM 25 C CG1 . ILE A 1 3 ? -41.321 -40.095 -34.355 1.00 26.01 ? 3 ILE A CG1 1
434
+ ATOM 26 C CG2 . ILE A 1 3 ? -41.576 -42.474 -33.600 1.00 26.25 ? 3 ILE A CG2 1
435
+ ATOM 27 C CD1 . ILE A 1 3 ? -40.179 -40.318 -35.329 1.00 28.59 ? 3 ILE A CD1 1
436
+ ATOM 28 N N . HIS A 1 4 ? -40.942 -38.986 -30.944 1.00 24.93 ? 4 HIS A N 1
437
+ ATOM 29 C CA . HIS A 1 4 ? -40.527 -37.662 -30.512 1.00 25.49 ? 4 HIS A CA 1
438
+ ATOM 30 C C . HIS A 1 4 ? -39.278 -37.264 -31.281 1.00 24.30 ? 4 HIS A C 1
439
+ ATOM 31 O O . HIS A 1 4 ? -38.254 -37.933 -31.183 1.00 24.94 ? 4 HIS A O 1
440
+ ATOM 32 C CB . HIS A 1 4 ? -40.192 -37.665 -29.015 1.00 26.76 ? 4 HIS A CB 1
441
+ ATOM 33 C CG . HIS A 1 4 ? -41.368 -37.915 -28.123 1.00 29.83 ? 4 HIS A CG 1
442
+ ATOM 34 N ND1 . HIS A 1 4 ? -42.172 -36.903 -27.647 1.00 31.42 ? 4 HIS A ND1 1
443
+ ATOM 35 C CD2 . HIS A 1 4 ? -41.880 -39.068 -27.628 1.00 30.67 ? 4 HIS A CD2 1
444
+ ATOM 36 C CE1 . HIS A 1 4 ? -43.130 -37.420 -26.897 1.00 31.85 ? 4 HIS A CE1 1
445
+ ATOM 37 N NE2 . HIS A 1 4 ? -42.975 -38.731 -26.870 1.00 32.34 ? 4 HIS A NE2 1
446
+ ATOM 38 N N . VAL A 1 5 ? -39.361 -36.193 -32.061 1.00 23.78 ? 5 VAL A N 1
447
+ ATOM 39 C CA . VAL A 1 5 ? -38.189 -35.721 -32.783 1.00 24.65 ? 5 VAL A CA 1
448
+ ATOM 40 C C . VAL A 1 5 ? -38.142 -34.221 -32.691 1.00 23.96 ? 5 VAL A C 1
449
+ ATOM 41 O O . VAL A 1 5 ? -39.163 -33.561 -32.489 1.00 25.51 ? 5 VAL A O 1
450
+ ATOM 42 C CB . VAL A 1 5 ? -38.164 -36.114 -34.281 1.00 25.70 ? 5 VAL A CB 1
451
+ ATOM 43 C CG1 . VAL A 1 5 ? -38.171 -37.619 -34.428 1.00 27.09 ? 5 VAL A CG1 1
452
+ ATOM 44 C CG2 . VAL A 1 5 ? -39.314 -35.464 -35.020 1.00 27.40 ? 5 VAL A CG2 1
453
+ ATOM 45 N N . SER A 1 6 ? -36.943 -33.685 -32.847 1.00 22.44 ? 6 SER A N 1
454
+ ATOM 46 C CA . SER A 1 6 ? -36.762 -32.256 -32.749 1.00 21.29 ? 6 SER A CA 1
455
+ ATOM 47 C C . SER A 1 6 ? -36.121 -31.652 -33.973 1.00 20.44 ? 6 SER A C 1
456
+ ATOM 48 O O . SER A 1 6 ? -35.328 -32.289 -34.655 1.00 21.54 ? 6 SER A O 1
457
+ ATOM 49 C CB . SER A 1 6 ? -35.854 -31.908 -31.562 1.00 19.73 ? 6 SER A CB 1
458
+ ATOM 50 O OG . SER A 1 6 ? -36.356 -32.379 -30.334 1.00 20.28 ? 6 SER A OG 1
459
+ ATOM 51 N N . ARG A 1 7 ? -36.473 -30.403 -34.236 1.00 20.71 ? 7 ARG A N 1
460
+ ATOM 52 C CA . ARG A 1 7 ? -35.850 -29.654 -35.305 1.00 19.83 ? 7 ARG A CA 1
461
+ ATOM 53 C C . ARG A 1 7 ? -35.050 -28.717 -34.444 1.00 19.59 ? 7 ARG A C 1
462
+ ATOM 54 O O . ARG A 1 7 ? -35.593 -28.167 -33.490 1.00 19.37 ? 7 ARG A O 1
463
+ ATOM 55 C CB . ARG A 1 7 ? -36.838 -28.821 -36.124 1.00 20.79 ? 7 ARG A CB 1
464
+ ATOM 56 C CG . ARG A 1 7 ? -36.120 -27.705 -36.913 1.00 21.03 ? 7 ARG A CG 1
465
+ ATOM 57 C CD . ARG A 1 7 ? -37.118 -26.771 -37.559 1.00 22.50 ? 7 ARG A CD 1
466
+ ATOM 58 N NE . ARG A 1 7 ? -36.499 -25.632 -38.229 1.00 23.71 ? 7 ARG A NE 1
467
+ ATOM 59 C CZ . ARG A 1 7 ? -37.190 -24.642 -38.785 1.00 24.29 ? 7 ARG A CZ 1
468
+ ATOM 60 N NH1 . ARG A 1 7 ? -38.516 -24.659 -38.747 1.00 25.71 ? 7 ARG A NH1 1
469
+ ATOM 61 N NH2 . ARG A 1 7 ? -36.560 -23.636 -39.376 1.00 26.15 ? 7 ARG A NH2 1
470
+ ATOM 62 N N . CYS A 1 8 ? -33.772 -28.557 -34.749 1.00 19.48 ? 8 CYS A N 1
471
+ ATOM 63 C CA . CYS A 1 8 ? -32.947 -27.640 -33.973 1.00 19.32 ? 8 CYS A CA 1
472
+ ATOM 64 C C . CYS A 1 8 ? -32.260 -26.650 -34.904 1.00 19.87 ? 8 CYS A C 1
473
+ ATOM 65 O O . CYS A 1 8 ? -31.790 -27.017 -35.978 1.00 20.79 ? 8 CYS A O 1
474
+ ATOM 66 C CB . CYS A 1 8 ? -31.857 -28.378 -33.189 1.00 18.70 ? 8 CYS A CB 1
475
+ ATOM 67 S SG . CYS A 1 8 ? -32.299 -29.473 -31.802 1.00 19.07 ? 8 CYS A SG 1
476
+ ATOM 68 N N . GLU A 1 9 ? -32.213 -25.393 -34.484 1.00 18.41 ? 9 GLU A N 1
477
+ ATOM 69 C CA . GLU A 1 9 ? -31.538 -24.354 -35.242 1.00 18.40 ? 9 GLU A CA 1
478
+ ATOM 70 C C . GLU A 1 9 ? -30.579 -23.793 -34.216 1.00 17.91 ? 9 GLU A C 1
479
+ ATOM 71 O O . GLU A 1 9 ? -30.878 -23.808 -33.024 1.00 18.04 ? 9 GLU A O 1
480
+ ATOM 72 C CB . GLU A 1 9 ? -32.510 -23.257 -35.700 1.00 19.74 ? 9 GLU A CB 1
481
+ ATOM 73 C CG . GLU A 1 9 ? -33.557 -23.680 -36.731 1.00 22.58 ? 9 GLU A CG 1
482
+ ATOM 74 C CD . GLU A 1 9 ? -32.961 -24.371 -37.947 1.00 25.35 ? 9 GLU A CD 1
483
+ ATOM 75 O OE1 . GLU A 1 9 ? -31.811 -24.056 -38.324 1.00 24.32 ? 9 GLU A OE1 1
484
+ ATOM 76 O OE2 . GLU A 1 9 ? -33.652 -25.230 -38.537 1.00 25.90 ? 9 GLU A OE2 1
485
+ ATOM 77 N N . MET A 1 10 ? -29.426 -23.321 -34.658 1.00 17.83 ? 10 MET A N 1
486
+ ATOM 78 C CA . MET A 1 10 ? -28.474 -22.771 -33.707 1.00 17.53 ? 10 MET A CA 1
487
+ ATOM 79 C C . MET A 1 10 ? -27.677 -21.658 -34.349 1.00 17.44 ? 10 MET A C 1
488
+ ATOM 80 O O . MET A 1 10 ? -27.678 -21.498 -35.570 1.00 17.15 ? 10 MET A O 1
489
+ ATOM 81 C CB . MET A 1 10 ? -27.535 -23.866 -33.182 1.00 18.86 ? 10 MET A CB 1
490
+ ATOM 82 C CG . MET A 1 10 ? -26.529 -24.407 -34.189 1.00 20.17 ? 10 MET A CG 1
491
+ ATOM 83 S SD . MET A 1 10 ? -25.524 -25.724 -33.466 1.00 22.06 ? 10 MET A SD 1
492
+ ATOM 84 C CE . MET A 1 10 ? -26.688 -27.071 -33.523 1.00 20.31 ? 10 MET A CE 1
493
+ ATOM 85 N N . GLY A 1 11 ? -27.004 -20.869 -33.525 1.00 15.18 ? 11 GLY A N 1
494
+ ATOM 86 C CA . GLY A 1 11 ? -26.221 -19.789 -34.078 1.00 14.73 ? 11 GLY A CA 1
495
+ ATOM 87 C C . GLY A 1 11 ? -25.350 -19.120 -33.040 1.00 14.69 ? 11 GLY A C 1
496
+ ATOM 88 O O . GLY A 1 11 ? -25.374 -19.480 -31.866 1.00 14.51 ? 11 GLY A O 1
497
+ ATOM 89 N N . THR A 1 12 ? -24.579 -18.139 -33.492 1.00 15.41 ? 12 THR A N 1
498
+ ATOM 90 C CA . THR A 1 12 ? -23.689 -17.388 -32.618 1.00 15.79 ? 12 THR A CA 1
499
+ ATOM 91 C C . THR A 1 12 ? -23.793 -15.914 -32.973 1.00 15.96 ? 12 THR A C 1
500
+ ATOM 92 O O . THR A 1 12 ? -24.180 -15.559 -34.085 1.00 17.04 ? 12 THR A O 1
501
+ ATOM 93 C CB . THR A 1 12 ? -22.209 -17.830 -32.783 1.00 16.29 ? 12 THR A CB 1
502
+ ATOM 94 O OG1 . THR A 1 12 ? -21.737 -17.458 -34.084 1.00 18.04 ? 12 THR A OG1 1
503
+ ATOM 95 C CG2 . THR A 1 12 ? -22.063 -19.334 -32.608 1.00 16.24 ? 12 THR A CG2 1
504
+ ATOM 96 N N . SER A 1 13 ? -23.459 -15.055 -32.019 1.00 14.08 ? 13 SER A N 1
505
+ ATOM 97 C CA . SER A 1 13 ? -23.485 -13.621 -32.256 1.00 14.06 ? 13 SER A CA 1
506
+ ATOM 98 C C . SER A 1 13 ? -22.275 -13.044 -31.546 1.00 13.92 ? 13 SER A C 1
507
+ ATOM 99 O O . SER A 1 13 ? -22.212 -13.021 -30.314 1.00 14.28 ? 13 SER A O 1
508
+ ATOM 100 C CB . SER A 1 13 ? -24.764 -12.980 -31.718 1.00 16.40 ? 13 SER A CB 1
509
+ ATOM 101 O OG . SER A 1 13 ? -24.765 -11.589 -32.004 1.00 20.92 ? 13 SER A OG 1
510
+ ATOM 102 N N . THR A 1 14 ? -21.311 -12.591 -32.339 1.00 13.40 ? 14 THR A N 1
511
+ ATOM 103 C CA . THR A 1 14 ? -20.071 -12.044 -31.805 1.00 13.82 ? 14 THR A CA 1
512
+ ATOM 104 C C . THR A 1 14 ? -20.075 -10.529 -31.629 1.00 13.79 ? 14 THR A C 1
513
+ ATOM 105 O O . THR A 1 14 ? -20.411 -9.772 -32.551 1.00 13.55 ? 14 THR A O 1
514
+ ATOM 106 C CB . THR A 1 14 ? -18.877 -12.422 -32.705 1.00 14.80 ? 14 THR A CB 1
515
+ ATOM 107 O OG1 . THR A 1 14 ? -18.759 -13.849 -32.753 1.00 16.92 ? 14 THR A OG1 1
516
+ ATOM 108 C CG2 . THR A 1 14 ? -17.581 -11.822 -32.161 1.00 15.90 ? 14 THR A CG2 1
517
+ ATOM 109 N N . HIS A 1 15 ? -19.684 -10.097 -30.432 1.00 13.10 ? 15 HIS A N 1
518
+ ATOM 110 C CA . HIS A 1 15 ? -19.586 -8.681 -30.095 1.00 12.78 ? 15 HIS A CA 1
519
+ ATOM 111 C C . HIS A 1 15 ? -18.128 -8.360 -29.770 1.00 13.05 ? 15 HIS A C 1
520
+ ATOM 112 O O . HIS A 1 15 ? -17.671 -8.619 -28.659 1.00 13.20 ? 15 HIS A O 1
521
+ ATOM 113 C CB . HIS A 1 15 ? -20.456 -8.345 -28.873 1.00 12.73 ? 15 HIS A CB 1
522
+ ATOM 114 C CG . HIS A 1 15 ? -21.933 -8.408 -29.136 1.00 14.54 ? 15 HIS A CG 1
523
+ ATOM 115 N ND1 . HIS A 1 15 ? -22.743 -7.298 -29.088 1.00 15.82 ? 15 HIS A ND1 1
524
+ ATOM 116 C CD2 . HIS A 1 15 ? -22.735 -9.452 -29.458 1.00 14.32 ? 15 HIS A CD2 1
525
+ ATOM 117 C CE1 . HIS A 1 15 ? -23.989 -7.652 -29.371 1.00 15.87 ? 15 HIS A CE1 1
526
+ ATOM 118 N NE2 . HIS A 1 15 ? -24.007 -8.950 -29.599 1.00 14.50 ? 15 HIS A NE2 1
527
+ ATOM 119 N N . ARG A 1 16 ? -17.401 -7.825 -30.747 1.00 12.27 ? 16 ARG A N 1
528
+ ATOM 120 C CA . ARG A 1 16 ? -16.007 -7.437 -30.553 1.00 14.10 ? 16 ARG A CA 1
529
+ ATOM 121 C C . ARG A 1 16 ? -16.041 -5.954 -30.259 1.00 14.70 ? 16 ARG A C 1
530
+ ATOM 122 O O . ARG A 1 16 ? -16.264 -5.144 -31.159 1.00 17.32 ? 16 ARG A O 1
531
+ ATOM 123 C CB . ARG A 1 16 ? -15.182 -7.706 -31.814 1.00 15.31 ? 16 ARG A CB 1
532
+ ATOM 124 C CG . ARG A 1 16 ? -14.884 -9.172 -32.060 1.00 19.12 ? 16 ARG A CG 1
533
+ ATOM 125 C CD . ARG A 1 16 ? -13.699 -9.327 -32.993 1.00 26.33 ? 16 ARG A CD 1
534
+ ATOM 126 N NE . ARG A 1 16 ? -13.068 -10.641 -32.881 1.00 30.88 ? 16 ARG A NE 1
535
+ ATOM 127 C CZ . ARG A 1 16 ? -12.240 -11.001 -31.903 1.00 33.12 ? 16 ARG A CZ 1
536
+ ATOM 128 N NH1 . ARG A 1 16 ? -11.928 -10.149 -30.934 1.00 35.38 ? 16 ARG A NH1 1
537
+ ATOM 129 N NH2 . ARG A 1 16 ? -11.709 -12.217 -31.900 1.00 36.63 ? 16 ARG A NH2 1
538
+ ATOM 130 N N . CYS A 1 17 ? -15.827 -5.602 -28.996 1.00 12.19 ? 17 CYS A N 1
539
+ ATOM 131 C CA . CYS A 1 17 ? -15.909 -4.206 -28.575 1.00 12.12 ? 17 CYS A CA 1
540
+ ATOM 132 C C . CYS A 1 17 ? -14.563 -3.522 -28.329 1.00 11.46 ? 17 CYS A C 1
541
+ ATOM 133 O O . CYS A 1 17 ? -14.372 -2.357 -28.696 1.00 11.59 ? 17 CYS A O 1
542
+ ATOM 134 C CB . CYS A 1 17 ? -16.793 -4.123 -27.324 1.00 11.35 ? 17 CYS A CB 1
543
+ ATOM 135 S SG . CYS A 1 17 ? -18.264 -5.187 -27.488 1.00 15.02 ? 17 CYS A SG 1
544
+ ATOM 136 N N . TRP A 1 18 ? -13.634 -4.238 -27.704 1.00 11.39 ? 18 TRP A N 1
545
+ ATOM 137 C CA . TRP A 1 18 ? -12.304 -3.698 -27.439 1.00 11.81 ? 18 TRP A CA 1
546
+ ATOM 138 C C . TRP A 1 18 ? -11.812 -2.976 -28.687 1.00 11.63 ? 18 TRP A C 1
547
+ ATOM 139 O O . TRP A 1 18 ? -11.917 -3.508 -29.785 1.00 13.05 ? 18 TRP A O 1
548
+ ATOM 140 C CB . TRP A 1 18 ? -11.360 -4.841 -27.086 1.00 12.98 ? 18 TRP A CB 1
549
+ ATOM 141 C CG . TRP A 1 18 ? -9.958 -4.394 -26.902 1.00 13.71 ? 18 TRP A CG 1
550
+ ATOM 142 C CD1 . TRP A 1 18 ? -8.934 -4.477 -27.811 1.00 14.45 ? 18 TRP A CD1 1
551
+ ATOM 143 C CD2 . TRP A 1 18 ? -9.422 -3.751 -25.749 1.00 14.87 ? 18 TRP A CD2 1
552
+ ATOM 144 N NE1 . TRP A 1 18 ? -7.793 -3.919 -27.285 1.00 15.99 ? 18 TRP A NE1 1
553
+ ATOM 145 C CE2 . TRP A 1 18 ? -8.065 -3.465 -26.022 1.00 14.46 ? 18 TRP A CE2 1
554
+ ATOM 146 C CE3 . TRP A 1 18 ? -9.958 -3.382 -24.510 1.00 14.29 ? 18 TRP A CE3 1
555
+ ATOM 147 C CZ2 . TRP A 1 18 ? -7.235 -2.827 -25.096 1.00 16.37 ? 18 TRP A CZ2 1
556
+ ATOM 148 C CZ3 . TRP A 1 18 ? -9.131 -2.746 -23.587 1.00 16.65 ? 18 TRP A CZ3 1
557
+ ATOM 149 C CH2 . TRP A 1 18 ? -7.783 -2.475 -23.888 1.00 16.09 ? 18 TRP A CH2 1
558
+ ATOM 150 N N . PRO A 1 19 ? -11.190 -1.794 -28.534 1.00 11.34 ? 19 PRO A N 1
559
+ ATOM 151 C CA . PRO A 1 19 ? -10.884 -1.061 -27.305 1.00 10.93 ? 19 PRO A CA 1
560
+ ATOM 152 C C . PRO A 1 19 ? -11.972 -0.244 -26.593 1.00 11.02 ? 19 PRO A C 1
561
+ ATOM 153 O O . PRO A 1 19 ? -11.648 0.679 -25.847 1.00 11.61 ? 19 PRO A O 1
562
+ ATOM 154 C CB . PRO A 1 19 ? -9.689 -0.207 -27.713 1.00 11.27 ? 19 PRO A CB 1
563
+ ATOM 155 C CG . PRO A 1 19 ? -10.012 0.156 -29.108 1.00 11.76 ? 19 PRO A CG 1
564
+ ATOM 156 C CD . PRO A 1 19 ? -10.631 -1.097 -29.711 1.00 11.60 ? 19 PRO A CD 1
565
+ ATOM 157 N N . ARG A 1 20 ? -13.243 -0.578 -26.801 1.00 11.32 ? 20 ARG A N 1
566
+ ATOM 158 C CA . ARG A 1 20 ? -14.320 0.094 -26.082 1.00 11.64 ? 20 ARG A CA 1
567
+ ATOM 159 C C . ARG A 1 20 ? -15.037 -1.003 -25.334 1.00 11.39 ? 20 ARG A C 1
568
+ ATOM 160 O O . ARG A 1 20 ? -14.915 -2.168 -25.697 1.00 11.49 ? 20 ARG A O 1
569
+ ATOM 161 C CB . ARG A 1 20 ? -15.337 0.748 -27.032 1.00 13.64 ? 20 ARG A CB 1
570
+ ATOM 162 C CG . ARG A 1 20 ? -14.843 1.973 -27.730 1.00 14.73 ? 20 ARG A CG 1
571
+ ATOM 163 C CD . ARG A 1 20 ? -16.003 2.700 -28.361 1.00 18.60 ? 20 ARG A CD 1
572
+ ATOM 164 N NE . ARG A 1 20 ? -15.532 3.852 -29.112 1.00 20.77 ? 20 ARG A NE 1
573
+ ATOM 165 C CZ . ARG A 1 20 ? -16.323 4.664 -29.801 1.00 21.76 ? 20 ARG A CZ 1
574
+ ATOM 166 N NH1 . ARG A 1 20 ? -17.632 4.447 -29.833 1.00 22.78 ? 20 ARG A NH1 1
575
+ ATOM 167 N NH2 . ARG A 1 20 ? -15.803 5.691 -30.456 1.00 23.59 ? 20 ARG A NH2 1
576
+ ATOM 168 N N . PRO A 1 21 ? -15.761 -0.650 -24.264 1.00 11.45 ? 21 PRO A N 1
577
+ ATOM 169 C CA . PRO A 1 21 ? -16.469 -1.715 -23.554 1.00 11.29 ? 21 PRO A CA 1
578
+ ATOM 170 C C . PRO A 1 21 ? -17.717 -2.030 -24.332 1.00 11.24 ? 21 PRO A C 1
579
+ ATOM 171 O O . PRO A 1 21 ? -18.229 -1.174 -25.045 1.00 10.50 ? 21 PRO A O 1
580
+ ATOM 172 C CB . PRO A 1 21 ? -16.831 -1.082 -22.214 1.00 12.31 ? 21 PRO A CB 1
581
+ ATOM 173 C CG . PRO A 1 21 ? -15.810 -0.051 -22.027 1.00 16.86 ? 21 PRO A CG 1
582
+ ATOM 174 C CD . PRO A 1 21 ? -15.661 0.548 -23.418 1.00 16.51 ? 21 PRO A CD 1
583
+ ATOM 175 N N . CYS A 1 22 ? -18.213 -3.249 -24.192 1.00 10.90 ? 22 CYS A N 1
584
+ ATOM 176 C CA . CYS A 1 22 ? -19.436 -3.602 -24.876 1.00 11.28 ? 22 CYS A CA 1
585
+ ATOM 177 C C . CYS A 1 22 ? -20.581 -2.891 -24.174 1.00 10.76 ? 22 CYS A C 1
586
+ ATOM 178 O O . CYS A 1 22 ? -20.482 -2.567 -22.990 1.00 11.11 ? 22 CYS A O 1
587
+ ATOM 179 C CB . CYS A 1 22 ? -19.668 -5.106 -24.805 1.00 12.33 ? 22 CYS A CB 1
588
+ ATOM 180 S SG . CYS A 1 22 ? -18.459 -6.128 -25.692 1.00 14.74 ? 22 CYS A SG 1
589
+ ATOM 181 N N . ASP A 1 23 ? -21.668 -2.659 -24.900 1.00 10.74 ? 23 ASP A N 1
590
+ ATOM 182 C CA . ASP A 1 23 ? -22.834 -2.012 -24.322 1.00 10.56 ? 23 ASP A CA 1
591
+ ATOM 183 C C . ASP A 1 23 ? -23.306 -2.861 -23.158 1.00 10.00 ? 23 ASP A C 1
592
+ ATOM 184 O O . ASP A 1 23 ? -23.169 -4.082 -23.182 1.00 11.37 ? 23 ASP A O 1
593
+ ATOM 185 C CB . ASP A 1 23 ? -23.959 -1.924 -25.356 1.00 11.94 ? 23 ASP A CB 1
594
+ ATOM 186 C CG . ASP A 1 23 ? -23.812 -0.745 -26.294 1.00 14.33 ? 23 ASP A CG 1
595
+ ATOM 187 O OD1 . ASP A 1 23 ? -24.434 -0.786 -27.375 1.00 17.11 ? 23 ASP A OD1 1
596
+ ATOM 188 O OD2 . ASP A 1 23 ? -23.104 0.222 -25.952 1.00 13.25 ? 23 ASP A OD2 1
597
+ ATOM 189 N N . THR A 1 24 ? -23.878 -2.207 -22.155 1.00 9.37 ? 24 THR A N 1
598
+ ATOM 190 C CA . THR A 1 24 ? -24.382 -2.887 -20.971 1.00 9.61 ? 24 THR A CA 1
599
+ ATOM 191 C C . THR A 1 24 ? -25.426 -3.945 -21.325 1.00 10.42 ? 24 THR A C 1
600
+ ATOM 192 O O . THR A 1 24 ? -25.518 -4.979 -20.669 1.00 10.80 ? 24 THR A O 1
601
+ ATOM 193 C CB . THR A 1 24 ? -24.976 -1.862 -20.006 1.00 11.61 ? 24 THR A CB 1
602
+ ATOM 194 O OG1 . THR A 1 24 ? -23.973 -0.888 -19.703 1.00 12.35 ? 24 THR A OG1 1
603
+ ATOM 195 C CG2 . THR A 1 24 ? -25.427 -2.523 -18.716 1.00 12.68 ? 24 THR A CG2 1
604
+ ATOM 196 N N . SER A 1 25 ? -26.223 -3.685 -22.354 1.00 10.88 ? 25 SER A N 1
605
+ ATOM 197 C CA . SER A 1 25 ? -27.213 -4.664 -22.782 1.00 12.76 ? 25 SER A CA 1
606
+ ATOM 198 C C . SER A 1 25 ? -27.325 -4.660 -24.289 1.00 13.00 ? 25 SER A C 1
607
+ ATOM 199 O O . SER A 1 25 ? -26.996 -3.672 -24.945 1.00 13.28 ? 25 SER A O 1
608
+ ATOM 200 C CB . SER A 1 25 ? -28.591 -4.385 -22.163 1.00 13.99 ? 25 SER A CB 1
609
+ ATOM 201 O OG . SER A 1 25 ? -29.180 -3.210 -22.691 1.00 17.96 ? 25 SER A OG 1
610
+ ATOM 202 N N . SER A 1 26 ? -27.771 -5.785 -24.835 1.00 12.83 ? 26 SER A N 1
611
+ ATOM 203 C CA . SER A 1 26 ? -27.964 -5.911 -26.270 1.00 13.65 ? 26 SER A CA 1
612
+ ATOM 204 C C . SER A 1 26 ? -29.150 -6.826 -26.516 1.00 14.33 ? 26 SER A C 1
613
+ ATOM 205 O O . SER A 1 26 ? -29.407 -7.758 -25.751 1.00 13.49 ? 26 SER A O 1
614
+ ATOM 206 C CB . SER A 1 26 ? -26.711 -6.479 -26.962 1.00 14.41 ? 26 SER A CB 1
615
+ ATOM 207 O OG . SER A 1 26 ? -26.518 -7.857 -26.682 1.00 17.70 ? 26 SER A OG 1
616
+ ATOM 208 N N . ASP A 1 27 ? -29.883 -6.531 -27.581 1.00 14.65 ? 27 ASP A N 1
617
+ ATOM 209 C CA . ASP A 1 27 ? -31.037 -7.319 -27.968 1.00 16.03 ? 27 ASP A CA 1
618
+ ATOM 210 C C . ASP A 1 27 ? -30.978 -7.400 -29.483 1.00 17.71 ? 27 ASP A C 1
619
+ ATOM 211 O O . ASP A 1 27 ? -30.897 -6.380 -30.170 1.00 18.99 ? 27 ASP A O 1
620
+ ATOM 212 C CB . ASP A 1 27 ? -32.323 -6.641 -27.489 1.00 16.18 ? 27 ASP A CB 1
621
+ ATOM 213 C CG . ASP A 1 27 ? -32.463 -6.679 -25.981 1.00 17.69 ? 27 ASP A CG 1
622
+ ATOM 214 O OD1 . ASP A 1 27 ? -32.751 -7.766 -25.435 1.00 16.07 ? 27 ASP A OD1 1
623
+ ATOM 215 O OD2 . ASP A 1 27 ? -32.263 -5.625 -25.342 1.00 19.89 ? 27 ASP A OD2 1
624
+ ATOM 216 N N . GLU A 1 28 ? -30.985 -8.622 -29.997 1.00 17.58 ? 28 GLU A N 1
625
+ ATOM 217 C CA . GLU A 1 28 ? -30.894 -8.842 -31.430 1.00 19.34 ? 28 GLU A CA 1
626
+ ATOM 218 C C . GLU A 1 28 ? -32.022 -9.727 -31.939 1.00 19.37 ? 28 GLU A C 1
627
+ ATOM 219 O O . GLU A 1 28 ? -32.261 -10.810 -31.408 1.00 18.43 ? 28 GLU A O 1
628
+ ATOM 220 C CB . GLU A 1 28 ? -29.546 -9.493 -31.751 1.00 20.90 ? 28 GLU A CB 1
629
+ ATOM 221 C CG . GLU A 1 28 ? -29.376 -9.936 -33.195 1.00 24.96 ? 28 GLU A CG 1
630
+ ATOM 222 C CD . GLU A 1 28 ? -28.027 -10.592 -33.453 1.00 27.56 ? 28 GLU A CD 1
631
+ ATOM 223 O OE1 . GLU A 1 28 ? -27.770 -10.985 -34.611 1.00 29.60 ? 28 GLU A OE1 1
632
+ ATOM 224 O OE2 . GLU A 1 28 ? -27.221 -10.717 -32.503 1.00 28.28 ? 28 GLU A OE2 1
633
+ ATOM 225 N N . PRO A 1 29 ? -32.730 -9.281 -32.986 1.00 20.29 ? 29 PRO A N 1
634
+ ATOM 226 C CA . PRO A 1 29 ? -33.815 -10.122 -33.490 1.00 20.91 ? 29 PRO A CA 1
635
+ ATOM 227 C C . PRO A 1 29 ? -33.257 -11.296 -34.288 1.00 20.07 ? 29 PRO A C 1
636
+ ATOM 228 O O . PRO A 1 29 ? -32.401 -11.123 -35.153 1.00 20.45 ? 29 PRO A O 1
637
+ ATOM 229 C CB . PRO A 1 29 ? -34.632 -9.152 -34.338 1.00 21.33 ? 29 PRO A CB 1
638
+ ATOM 230 C CG . PRO A 1 29 ? -33.581 -8.251 -34.907 1.00 23.69 ? 29 PRO A CG 1
639
+ ATOM 231 C CD . PRO A 1 29 ? -32.636 -8.015 -33.739 1.00 23.33 ? 29 PRO A CD 1
640
+ ATOM 232 N N . ILE A 1 30 ? -33.725 -12.494 -33.956 1.00 20.28 ? 30 ILE A N 1
641
+ ATOM 233 C CA . ILE A 1 30 ? -33.300 -13.712 -34.632 1.00 21.30 ? 30 ILE A CA 1
642
+ ATOM 234 C C . ILE A 1 30 ? -34.535 -14.278 -35.319 1.00 21.58 ? 30 ILE A C 1
643
+ ATOM 235 O O . ILE A 1 30 ? -35.595 -14.381 -34.704 1.00 21.05 ? 30 ILE A O 1
644
+ ATOM 236 C CB . ILE A 1 30 ? -32.773 -14.775 -33.633 1.00 20.76 ? 30 ILE A CB 1
645
+ ATOM 237 C CG1 . ILE A 1 30 ? -31.551 -14.244 -32.873 1.00 21.63 ? 30 ILE A CG1 1
646
+ ATOM 238 C CG2 . ILE A 1 30 ? -32.441 -16.069 -34.376 1.00 21.81 ? 30 ILE A CG2 1
647
+ ATOM 239 C CD1 . ILE A 1 30 ? -30.335 -13.972 -33.740 1.00 21.60 ? 30 ILE A CD1 1
648
+ ATOM 240 N N . SER A 1 31 ? -34.399 -14.643 -36.589 1.00 23.83 ? 31 SER A N 1
649
+ ATOM 241 C CA . SER A 1 31 ? -35.525 -15.193 -37.337 1.00 25.55 ? 31 SER A CA 1
650
+ ATOM 242 C C . SER A 1 31 ? -35.299 -16.642 -37.737 1.00 25.69 ? 31 SER A C 1
651
+ ATOM 243 O O . SER A 1 31 ? -34.196 -17.025 -38.123 1.00 26.70 ? 31 SER A O 1
652
+ ATOM 244 C CB . SER A 1 31 ? -35.780 -14.371 -38.603 1.00 26.53 ? 31 SER A CB 1
653
+ ATOM 245 O OG . SER A 1 31 ? -36.299 -13.090 -38.301 1.00 29.90 ? 31 SER A OG 1
654
+ ATOM 246 N N . PHE A 1 32 ? -36.354 -17.444 -37.649 1.00 26.80 ? 32 PHE A N 1
655
+ ATOM 247 C CA . PHE A 1 32 ? -36.275 -18.846 -38.034 1.00 28.34 ? 32 PHE A CA 1
656
+ ATOM 248 C C . PHE A 1 32 ? -36.908 -18.952 -39.408 1.00 30.67 ? 32 PHE A C 1
657
+ ATOM 249 O O . PHE A 1 32 ? -38.012 -18.453 -39.617 1.00 31.28 ? 32 PHE A O 1
658
+ ATOM 250 C CB . PHE A 1 32 ? -37.065 -19.747 -37.073 1.00 26.71 ? 32 PHE A CB 1
659
+ ATOM 251 C CG . PHE A 1 32 ? -36.575 -19.718 -35.656 1.00 24.44 ? 32 PHE A CG 1
660
+ ATOM 252 C CD1 . PHE A 1 32 ? -35.223 -19.852 -35.373 1.00 24.71 ? 32 PHE A CD1 1
661
+ ATOM 253 C CD2 . PHE A 1 32 ? -37.472 -19.571 -34.603 1.00 23.27 ? 32 PHE A CD2 1
662
+ ATOM 254 C CE1 . PHE A 1 32 ? -34.765 -19.837 -34.060 1.00 22.94 ? 32 PHE A CE1 1
663
+ ATOM 255 C CE2 . PHE A 1 32 ? -37.028 -19.555 -33.283 1.00 23.88 ? 32 PHE A CE2 1
664
+ ATOM 256 C CZ . PHE A 1 32 ? -35.667 -19.688 -33.013 1.00 22.45 ? 32 PHE A CZ 1
665
+ ATOM 257 N N . TRP A 1 33 ? -36.216 -19.581 -40.350 1.00 33.69 ? 33 TRP A N 1
666
+ ATOM 258 C CA . TRP A 1 33 ? -36.790 -19.750 -41.678 1.00 36.76 ? 33 TRP A CA 1
667
+ ATOM 259 C C . TRP A 1 33 ? -36.548 -21.152 -42.206 1.00 36.69 ? 33 TRP A C 1
668
+ ATOM 260 O O . TRP A 1 33 ? -35.406 -21.576 -42.377 1.00 37.46 ? 33 TRP A O 1
669
+ ATOM 261 C CB . TRP A 1 33 ? -36.233 -18.734 -42.678 1.00 39.28 ? 33 TRP A CB 1
670
+ ATOM 262 C CG . TRP A 1 33 ? -36.967 -18.808 -43.987 1.00 42.96 ? 33 TRP A CG 1
671
+ ATOM 263 C CD1 . TRP A 1 33 ? -36.496 -19.296 -45.174 1.00 44.15 ? 33 TRP A CD1 1
672
+ ATOM 264 C CD2 . TRP A 1 33 ? -38.329 -18.427 -44.223 1.00 44.39 ? 33 TRP A CD2 1
673
+ ATOM 265 N NE1 . TRP A 1 33 ? -37.482 -19.242 -46.133 1.00 45.05 ? 33 TRP A NE1 1
674
+ ATOM 266 C CE2 . TRP A 1 33 ? -38.616 -18.713 -45.577 1.00 45.07 ? 33 TRP A CE2 1
675
+ ATOM 267 C CE3 . TRP A 1 33 ? -39.336 -17.873 -43.419 1.00 45.16 ? 33 TRP A CE3 1
676
+ ATOM 268 C CZ2 . TRP A 1 33 ? -39.870 -18.461 -46.147 1.00 45.64 ? 33 TRP A CZ2 1
677
+ ATOM 269 C CZ3 . TRP A 1 33 ? -40.584 -17.623 -43.987 1.00 45.96 ? 33 TRP A CZ3 1
678
+ ATOM 270 C CH2 . TRP A 1 33 ? -40.837 -17.917 -45.340 1.00 46.09 ? 33 TRP A CH2 1
679
+ ATOM 271 N N . PRO A 1 34 ? -37.632 -21.895 -42.464 1.00 37.05 ? 34 PRO A N 1
680
+ ATOM 272 C CA . PRO A 1 34 ? -39.021 -21.459 -42.268 1.00 36.84 ? 34 PRO A CA 1
681
+ ATOM 273 C C . PRO A 1 34 ? -39.403 -21.517 -40.785 1.00 36.76 ? 34 PRO A C 1
682
+ ATOM 274 O O . PRO A 1 34 ? -38.677 -22.095 -39.978 1.00 36.93 ? 34 PRO A O 1
683
+ ATOM 275 C CB . PRO A 1 34 ? -39.806 -22.450 -43.122 1.00 37.42 ? 34 PRO A CB 1
684
+ ATOM 276 C CG . PRO A 1 34 ? -39.012 -23.711 -42.966 1.00 37.31 ? 34 PRO A CG 1
685
+ ATOM 277 C CD . PRO A 1 34 ? -37.575 -23.240 -43.064 1.00 36.94 ? 34 PRO A CD 1
686
+ ATOM 278 N N . PRO A 1 35 ? -40.533 -20.901 -40.402 1.00 36.65 ? 35 PRO A N 1
687
+ ATOM 279 C CA . PRO A 1 35 ? -40.943 -20.932 -38.993 1.00 36.31 ? 35 PRO A CA 1
688
+ ATOM 280 C C . PRO A 1 35 ? -41.126 -22.351 -38.468 1.00 36.01 ? 35 PRO A C 1
689
+ ATOM 281 O O . PRO A 1 35 ? -41.431 -23.268 -39.231 1.00 36.02 ? 35 PRO A O 1
690
+ ATOM 282 C CB . PRO A 1 35 ? -42.267 -20.177 -38.996 1.00 36.80 ? 35 PRO A CB 1
691
+ ATOM 283 C CG . PRO A 1 35 ? -42.116 -19.221 -40.109 1.00 37.39 ? 35 PRO A CG 1
692
+ ATOM 284 C CD . PRO A 1 35 ? -41.424 -20.031 -41.189 1.00 37.32 ? 35 PRO A CD 1
693
+ ATOM 285 N N . PHE A 1 36 ? -40.956 -22.523 -37.161 1.00 34.33 ? 36 PHE A N 1
694
+ ATOM 286 C CA . PHE A 1 36 ? -41.133 -23.831 -36.539 1.00 33.39 ? 36 PHE A CA 1
695
+ ATOM 287 C C . PHE A 1 36 ? -42.603 -24.225 -36.579 1.00 33.98 ? 36 PHE A C 1
696
+ ATOM 288 O O . PHE A 1 36 ? -43.475 -23.364 -36.679 1.00 33.71 ? 36 PHE A O 1
697
+ ATOM 289 C CB . PHE A 1 36 ? -40.693 -23.801 -35.073 1.00 31.13 ? 36 PHE A CB 1
698
+ ATOM 290 C CG . PHE A 1 36 ? -39.225 -24.021 -34.869 1.00 28.93 ? 36 PHE A CG 1
699
+ ATOM 291 C CD1 . PHE A 1 36 ? -38.309 -23.002 -35.106 1.00 28.20 ? 36 PHE A CD1 1
700
+ ATOM 292 C CD2 . PHE A 1 36 ? -38.760 -25.255 -34.433 1.00 27.56 ? 36 PHE A CD2 1
701
+ ATOM 293 C CE1 . PHE A 1 36 ? -36.943 -23.212 -34.912 1.00 26.78 ? 36 PHE A CE1 1
702
+ ATOM 294 C CE2 . PHE A 1 36 ? -37.401 -25.481 -34.236 1.00 26.78 ? 36 PHE A CE2 1
703
+ ATOM 295 C CZ . PHE A 1 36 ? -36.488 -24.456 -34.474 1.00 26.41 ? 36 PHE A CZ 1
704
+ ATOM 296 N N . GLU A 1 37 ? -42.872 -25.524 -36.482 1.00 34.68 ? 37 GLU A N 1
705
+ ATOM 297 C CA . GLU A 1 37 ? -44.243 -26.009 -36.478 1.00 35.89 ? 37 GLU A CA 1
706
+ ATOM 298 C C . GLU A 1 37 ? -44.758 -25.814 -35.048 1.00 35.38 ? 37 GLU A C 1
707
+ ATOM 299 O O . GLU A 1 37 ? -45.906 -25.445 -34.860 1.00 35.79 ? 37 GLU A O 1
708
+ ATOM 300 C CB . GLU A 1 37 ? -44.300 -27.454 -36.982 1.00 37.48 ? 37 GLU A CB 1
709
+ ATOM 301 C CG . GLU A 1 37 ? -43.986 -27.530 -38.490 1.00 40.72 ? 37 GLU A CG 1
710
+ ATOM 302 C CD . GLU A 1 37 ? -45.206 -27.804 -39.365 1.00 42.79 ? 37 GLU A CD 1
711
+ ATOM 303 O OE1 . GLU A 1 37 ? -46.256 -27.150 -39.181 1.00 44.54 ? 37 GLU A OE1 1
712
+ ATOM 304 O OE2 . GLU A 1 37 ? -45.101 -28.677 -40.251 1.00 44.00 ? 37 GLU A OE2 1
713
+ ATOM 305 N N . ASN A 1 38 ? -43.934 -26.043 -34.026 1.00 34.08 ? 38 ASN A N 1
714
+ ATOM 306 C CA . ASN A 1 38 ? -44.391 -25.704 -32.666 1.00 33.20 ? 38 ASN A CA 1
715
+ ATOM 307 C C . ASN A 1 38 ? -43.339 -24.755 -32.152 1.00 31.69 ? 38 ASN A C 1
716
+ ATOM 308 O O . ASN A 1 38 ? -42.188 -24.780 -32.596 1.00 31.13 ? 38 ASN A O 1
717
+ ATOM 309 C CB . ASN A 1 38 ? -44.485 -26.879 -31.666 1.00 35.61 ? 38 ASN A CB 1
718
+ ATOM 310 C CG . ASN A 1 38 ? -45.421 -27.968 -32.107 1.00 37.75 ? 38 ASN A CG 1
719
+ ATOM 311 O OD1 . ASN A 1 38 ? -46.620 -27.759 -32.316 1.00 39.47 ? 38 ASN A OD1 1
720
+ ATOM 312 N ND2 . ASN A 1 38 ? -44.883 -29.164 -32.202 1.00 38.78 ? 38 ASN A ND2 1
721
+ ATOM 313 N N . THR A 1 39 ? -43.745 -23.939 -31.193 1.00 29.69 ? 39 THR A N 1
722
+ ATOM 314 C CA . THR A 1 39 ? -42.851 -22.979 -30.568 1.00 27.97 ? 39 THR A CA 1
723
+ ATOM 315 C C . THR A 1 39 ? -41.725 -23.773 -29.926 1.00 25.83 ? 39 THR A C 1
724
+ ATOM 316 O O . THR A 1 39 ? -41.972 -24.679 -29.135 1.00 25.37 ? 39 THR A O 1
725
+ ATOM 317 C CB . THR A 1 39 ? -43.593 -22.182 -29.485 1.00 29.30 ? 39 THR A CB 1
726
+ ATOM 318 O OG1 . THR A 1 39 ? -44.735 -21.541 -30.067 1.00 30.87 ? 39 THR A OG1 1
727
+ ATOM 319 C CG2 . THR A 1 39 ? -42.685 -21.136 -28.862 1.00 29.60 ? 39 THR A CG2 1
728
+ ATOM 320 N N . PRO A 1 40 ? -40.475 -23.444 -30.261 1.00 23.62 ? 40 PRO A N 1
729
+ ATOM 321 C CA . PRO A 1 40 ? -39.342 -24.170 -29.689 1.00 22.12 ? 40 PRO A CA 1
730
+ ATOM 322 C C . PRO A 1 40 ? -38.884 -23.627 -28.348 1.00 21.08 ? 40 PRO A C 1
731
+ ATOM 323 O O . PRO A 1 40 ? -39.320 -22.566 -27.912 1.00 21.50 ? 40 PRO A O 1
732
+ ATOM 324 C CB . PRO A 1 40 ? -38.273 -23.998 -30.751 1.00 22.12 ? 40 PRO A CB 1
733
+ ATOM 325 C CG . PRO A 1 40 ? -38.509 -22.568 -31.188 1.00 22.60 ? 40 PRO A CG 1
734
+ ATOM 326 C CD . PRO A 1 40 ? -40.031 -22.443 -31.251 1.00 23.16 ? 40 PRO A CD 1
735
+ ATOM 327 N N . ASN A 1 41 ? -38.011 -24.382 -27.696 1.00 20.53 ? 41 ASN A N 1
736
+ ATOM 328 C CA . ASN A 1 41 ? -37.427 -23.948 -26.438 1.00 19.88 ? 41 ASN A CA 1
737
+ ATOM 329 C C . ASN A 1 41 ? -36.111 -23.413 -26.951 1.00 18.41 ? 41 ASN A C 1
738
+ ATOM 330 O O . ASN A 1 41 ? -35.607 -23.901 -27.960 1.00 16.79 ? 41 ASN A O 1
739
+ ATOM 331 C CB . ASN A 1 41 ? -37.154 -25.128 -25.489 1.00 23.96 ? 41 ASN A CB 1
740
+ ATOM 332 C CG . ASN A 1 41 ? -38.374 -25.565 -24.718 1.00 28.09 ? 41 ASN A CG 1
741
+ ATOM 333 O OD1 . ASN A 1 41 ? -39.453 -25.699 -25.279 1.00 32.75 ? 41 ASN A OD1 1
742
+ ATOM 334 N ND2 . ASN A 1 41 ? -38.199 -25.827 -23.423 1.00 31.15 ? 41 ASN A ND2 1
743
+ ATOM 335 N N . VAL A 1 42 ? -35.553 -22.415 -26.278 1.00 16.75 ? 42 VAL A N 1
744
+ ATOM 336 C CA . VAL A 1 42 ? -34.273 -21.867 -26.714 1.00 15.76 ? 42 VAL A CA 1
745
+ ATOM 337 C C . VAL A 1 42 ? -33.387 -21.646 -25.496 1.00 15.35 ? 42 VAL A C 1
746
+ ATOM 338 O O . VAL A 1 42 ? -33.869 -21.205 -24.455 1.00 16.73 ? 42 VAL A O 1
747
+ ATOM 339 C CB . VAL A 1 42 ? -34.430 -20.488 -27.431 1.00 16.60 ? 42 VAL A CB 1
748
+ ATOM 340 C CG1 . VAL A 1 42 ? -33.083 -20.047 -28.022 1.00 16.52 ? 42 VAL A CG1 1
749
+ ATOM 341 C CG2 . VAL A 1 42 ? -35.488 -20.563 -28.528 1.00 17.47 ? 42 VAL A CG2 1
750
+ ATOM 342 N N . ILE A 1 43 ? -32.109 -21.993 -25.603 1.00 14.23 ? 43 ILE A N 1
751
+ ATOM 343 C CA . ILE A 1 43 ? -31.189 -21.730 -24.503 1.00 13.44 ? 43 ILE A CA 1
752
+ ATOM 344 C C . ILE A 1 43 ? -30.020 -20.956 -25.075 1.00 13.20 ? 43 ILE A C 1
753
+ ATOM 345 O O . ILE A 1 43 ? -29.678 -21.096 -26.251 1.00 13.30 ? 43 ILE A O 1
754
+ ATOM 346 C CB . ILE A 1 43 ? -30.689 -23.007 -23.760 1.00 13.26 ? 43 ILE A CB 1
755
+ ATOM 347 C CG1 . ILE A 1 43 ? -30.067 -24.014 -24.728 1.00 13.97 ? 43 ILE A CG1 1
756
+ ATOM 348 C CG2 . ILE A 1 43 ? -31.818 -23.595 -22.934 1.00 14.23 ? 43 ILE A CG2 1
757
+ ATOM 349 C CD1 . ILE A 1 43 ? -29.455 -25.203 -24.014 1.00 15.93 ? 43 ILE A CD1 1
758
+ ATOM 350 N N . VAL A 1 44 ? -29.427 -20.118 -24.233 1.00 11.44 ? 44 VAL A N 1
759
+ ATOM 351 C CA . VAL A 1 44 ? -28.329 -19.256 -24.651 1.00 11.40 ? 44 VAL A CA 1
760
+ ATOM 352 C C . VAL A 1 44 ? -27.149 -19.327 -23.673 1.00 11.30 ? 44 VAL A C 1
761
+ ATOM 353 O O . VAL A 1 44 ? -27.343 -19.436 -22.465 1.00 11.88 ? 44 VAL A O 1
762
+ ATOM 354 C CB . VAL A 1 44 ? -28.821 -17.788 -24.712 1.00 10.54 ? 44 VAL A CB 1
763
+ ATOM 355 C CG1 . VAL A 1 44 ? -27.744 -16.882 -25.283 1.00 11.43 ? 44 VAL A CG1 1
764
+ ATOM 356 C CG2 . VAL A 1 44 ? -30.101 -17.698 -25.545 1.00 12.04 ? 44 VAL A CG2 1
765
+ ATOM 357 N N . SER A 1 45 ? -25.929 -19.281 -24.196 1.00 12.03 ? 45 SER A N 1
766
+ ATOM 358 C CA . SER A 1 45 ? -24.745 -19.285 -23.338 1.00 12.36 ? 45 SER A CA 1
767
+ ATOM 359 C C . SER A 1 45 ? -23.671 -18.426 -23.983 1.00 10.76 ? 45 SER A C 1
768
+ ATOM 360 O O . SER A 1 45 ? -23.949 -17.652 -24.898 1.00 10.53 ? 45 SER A O 1
769
+ ATOM 361 C CB . SER A 1 45 ? -24.208 -20.703 -23.097 1.00 15.23 ? 45 SER A CB 1
770
+ ATOM 362 O OG . SER A 1 45 ? -23.191 -20.685 -22.097 1.00 16.48 ? 45 SER A OG 1
771
+ ATOM 363 N N . PHE A 1 46 ? -22.445 -18.565 -23.499 1.00 10.96 ? 46 PHE A N 1
772
+ ATOM 364 C CA . PHE A 1 46 ? -21.327 -17.785 -24.009 1.00 10.30 ? 46 PHE A CA 1
773
+ ATOM 365 C C . PHE A 1 46 ? -20.258 -18.680 -24.619 1.00 10.62 ? 46 PHE A C 1
774
+ ATOM 366 O O . PHE A 1 46 ? -19.824 -19.646 -23.995 1.00 13.05 ? 46 PHE A O 1
775
+ ATOM 367 C CB . PHE A 1 46 ? -20.714 -16.963 -22.867 1.00 9.84 ? 46 PHE A CB 1
776
+ ATOM 368 C CG . PHE A 1 46 ? -21.609 -15.868 -22.364 1.00 9.96 ? 46 PHE A CG 1
777
+ ATOM 369 C CD1 . PHE A 1 46 ? -21.513 -14.581 -22.884 1.00 11.49 ? 46 PHE A CD1 1
778
+ ATOM 370 C CD2 . PHE A 1 46 ? -22.575 -16.129 -21.392 1.00 10.21 ? 46 PHE A CD2 1
779
+ ATOM 371 C CE1 . PHE A 1 46 ? -22.365 -13.564 -22.443 1.00 11.40 ? 46 PHE A CE1 1
780
+ ATOM 372 C CE2 . PHE A 1 46 ? -23.434 -15.119 -20.945 1.00 11.06 ? 46 PHE A CE2 1
781
+ ATOM 373 C CZ . PHE A 1 46 ? -23.327 -13.837 -21.473 1.00 9.91 ? 46 PHE A CZ 1
782
+ ATOM 374 N N . GLY A 1 47 ? -19.821 -18.339 -25.828 1.00 10.06 ? 47 GLY A N 1
783
+ ATOM 375 C CA . GLY A 1 47 ? -18.787 -19.108 -26.497 1.00 9.74 ? 47 GLY A CA 1
784
+ ATOM 376 C C . GLY A 1 47 ? -17.433 -18.436 -26.342 1.00 9.84 ? 47 GLY A C 1
785
+ ATOM 377 O O . GLY A 1 47 ? -16.392 -19.076 -26.475 1.00 10.47 ? 47 GLY A O 1
786
+ ATOM 378 N N . MET A 1 48 ? -17.459 -17.138 -26.061 1.00 9.26 ? 48 MET A N 1
787
+ ATOM 379 C CA . MET A 1 48 ? -16.248 -16.345 -25.865 1.00 8.51 ? 48 MET A CA 1
788
+ ATOM 380 C C . MET A 1 48 ? -16.621 -15.240 -24.888 1.00 8.79 ? 48 MET A C 1
789
+ ATOM 381 O O . MET A 1 48 ? -17.735 -14.716 -24.931 1.00 8.81 ? 48 MET A O 1
790
+ ATOM 382 C CB . MET A 1 48 ? -15.765 -15.754 -27.202 1.00 9.60 ? 48 MET A CB 1
791
+ ATOM 383 C CG . MET A 1 48 ? -14.544 -14.831 -27.120 1.00 10.84 ? 48 MET A CG 1
792
+ ATOM 384 S SD . MET A 1 48 ? -14.979 -13.101 -26.837 1.00 10.08 ? 48 MET A SD 1
793
+ ATOM 385 C CE . MET A 1 48 ? -15.489 -12.608 -28.494 1.00 10.89 ? 48 MET A CE 1
794
+ ATOM 386 N N . LEU A 1 49 ? -15.697 -14.900 -23.996 1.00 8.82 ? 49 LEU A N 1
795
+ ATOM 387 C CA . LEU A 1 49 ? -15.952 -13.864 -23.002 1.00 9.35 ? 49 LEU A CA 1
796
+ ATOM 388 C C . LEU A 1 49 ? -14.643 -13.187 -22.609 1.00 8.64 ? 49 LEU A C 1
797
+ ATOM 389 O O . LEU A 1 49 ? -13.624 -13.849 -22.438 1.00 9.15 ? 49 LEU A O 1
798
+ ATOM 390 C CB . LEU A 1 49 ? -16.616 -14.483 -21.768 1.00 11.03 ? 49 LEU A CB 1
799
+ ATOM 391 C CG . LEU A 1 49 ? -17.154 -13.524 -20.711 1.00 13.44 ? 49 LEU A CG 1
800
+ ATOM 392 C CD1 . LEU A 1 49 ? -18.177 -12.582 -21.347 1.00 13.06 ? 49 LEU A CD1 1
801
+ ATOM 393 C CD2 . LEU A 1 49 ? -17.801 -14.318 -19.581 1.00 13.42 ? 49 LEU A CD2 1
802
+ ATOM 394 N N . ASP A 1 50 ? -14.697 -11.866 -22.467 1.00 8.38 ? 50 ASP A N 1
803
+ ATOM 395 C CA . ASP A 1 50 ? -13.550 -11.037 -22.103 1.00 8.04 ? 50 ASP A CA 1
804
+ ATOM 396 C C . ASP A 1 50 ? -14.096 -10.065 -21.051 1.00 8.21 ? 50 ASP A C 1
805
+ ATOM 397 O O . ASP A 1 50 ? -14.790 -9.098 -21.382 1.00 8.89 ? 50 ASP A O 1
806
+ ATOM 398 C CB . ASP A 1 50 ? -13.058 -10.320 -23.370 1.00 7.63 ? 50 ASP A CB 1
807
+ ATOM 399 C CG . ASP A 1 50 ? -11.828 -9.461 -23.143 1.00 7.92 ? 50 ASP A CG 1
808
+ ATOM 400 O OD1 . ASP A 1 50 ? -11.229 -9.033 -24.157 1.00 8.20 ? 50 ASP A OD1 1
809
+ ATOM 401 O OD2 . ASP A 1 50 ? -11.469 -9.196 -21.980 1.00 8.53 ? 50 ASP A OD2 1
810
+ ATOM 402 N N . VAL A 1 51 ? -13.795 -10.352 -19.784 1.00 7.46 ? 51 VAL A N 1
811
+ ATOM 403 C CA . VAL A 1 51 ? -14.290 -9.563 -18.653 1.00 7.59 ? 51 VAL A CA 1
812
+ ATOM 404 C C . VAL A 1 51 ? -13.164 -8.983 -17.800 1.00 8.06 ? 51 VAL A C 1
813
+ ATOM 405 O O . VAL A 1 51 ? -12.216 -9.683 -17.441 1.00 7.82 ? 51 VAL A O 1
814
+ ATOM 406 C CB . VAL A 1 51 ? -15.191 -10.439 -17.761 1.00 7.94 ? 51 VAL A CB 1
815
+ ATOM 407 C CG1 . VAL A 1 51 ? -15.693 -9.649 -16.554 1.00 7.86 ? 51 VAL A CG1 1
816
+ ATOM 408 C CG2 . VAL A 1 51 ? -16.371 -10.942 -18.581 1.00 9.37 ? 51 VAL A CG2 1
817
+ ATOM 409 N N . ASP A 1 52 ? -13.280 -7.703 -17.458 1.00 8.74 ? 52 ASP A N 1
818
+ ATOM 410 C CA . ASP A 1 52 ? -12.250 -7.049 -16.660 1.00 9.45 ? 52 ASP A CA 1
819
+ ATOM 411 C C . ASP A 1 52 ? -12.246 -7.527 -15.212 1.00 10.12 ? 52 ASP A C 1
820
+ ATOM 412 O O . ASP A 1 52 ? -13.297 -7.638 -14.576 1.00 9.77 ? 52 ASP A O 1
821
+ ATOM 413 C CB . ASP A 1 52 ? -12.439 -5.538 -16.701 1.00 10.95 ? 52 ASP A CB 1
822
+ ATOM 414 C CG . ASP A 1 52 ? -11.133 -4.799 -16.524 1.00 12.31 ? 52 ASP A CG 1
823
+ ATOM 415 O OD1 . ASP A 1 52 ? -10.606 -4.774 -15.390 1.00 13.70 ? 52 ASP A OD1 1
824
+ ATOM 416 O OD2 . ASP A 1 52 ? -10.620 -4.270 -17.531 1.00 13.75 ? 52 ASP A OD2 1
825
+ ATOM 417 N N . ASN A 1 53 ? -11.056 -7.803 -14.689 1.00 8.19 ? 53 ASN A N 1
826
+ ATOM 418 C CA . ASN A 1 53 ? -10.945 -8.268 -13.319 1.00 8.12 ? 53 ASN A CA 1
827
+ ATOM 419 C C . ASN A 1 53 ? -11.037 -7.137 -12.301 1.00 9.84 ? 53 ASN A C 1
828
+ ATOM 420 O O . ASN A 1 53 ? -10.976 -7.387 -11.100 1.00 8.90 ? 53 ASN A O 1
829
+ ATOM 421 C CB . ASN A 1 53 ? -9.636 -9.053 -13.121 1.00 7.50 ? 53 ASN A CB 1
830
+ ATOM 422 C CG . ASN A 1 53 ? -8.395 -8.163 -13.162 1.00 6.03 ? 53 ASN A CG 1
831
+ ATOM 423 O OD1 . ASN A 1 53 ? -8.428 -7.043 -13.681 1.00 8.37 ? 53 ASN A OD1 1
832
+ ATOM 424 N ND2 . ASN A 1 53 ? -7.284 -8.674 -12.633 1.00 8.92 ? 53 ASN A ND2 1
833
+ ATOM 425 N N . SER A 1 54 ? -11.195 -5.899 -12.763 1.00 9.17 ? 54 SER A N 1
834
+ ATOM 426 C CA . SER A 1 54 ? -11.282 -4.786 -11.820 1.00 10.63 ? 54 SER A CA 1
835
+ ATOM 427 C C . SER A 1 54 ? -12.554 -4.836 -10.980 1.00 9.86 ? 54 SER A C 1
836
+ ATOM 428 O O . SER A 1 54 ? -12.628 -4.217 -9.917 1.00 10.18 ? 54 SER A O 1
837
+ ATOM 429 C CB . SER A 1 54 ? -11.205 -3.448 -12.558 1.00 11.40 ? 54 SER A CB 1
838
+ ATOM 430 O OG . SER A 1 54 ? -12.304 -3.282 -13.426 1.00 18.02 ? 54 SER A OG 1
839
+ ATOM 431 N N . ASN A 1 55 ? -13.551 -5.575 -11.457 1.00 8.65 ? 55 ASN A N 1
840
+ ATOM 432 C CA . ASN A 1 55 ? -14.822 -5.714 -10.752 1.00 8.46 ? 55 ASN A CA 1
841
+ ATOM 433 C C . ASN A 1 55 ? -15.327 -7.143 -10.909 1.00 8.29 ? 55 ASN A C 1
842
+ ATOM 434 O O . ASN A 1 55 ? -14.754 -7.922 -11.671 1.00 8.59 ? 55 ASN A O 1
843
+ ATOM 435 C CB . ASN A 1 55 ? -15.838 -4.716 -11.322 1.00 9.95 ? 55 ASN A CB 1
844
+ ATOM 436 C CG . ASN A 1 55 ? -15.490 -3.279 -10.983 1.00 11.18 ? 55 ASN A CG 1
845
+ ATOM 437 O OD1 . ASN A 1 55 ? -15.663 -2.839 -9.840 1.00 15.69 ? 55 ASN A OD1 1
846
+ ATOM 438 N ND2 . ASN A 1 55 ? -14.989 -2.543 -11.967 1.00 13.90 ? 55 ASN A ND2 1
847
+ ATOM 439 N N . ASN A 1 56 ? -16.389 -7.489 -10.187 1.00 8.73 ? 56 ASN A N 1
848
+ ATOM 440 C CA . ASN A 1 56 ? -16.949 -8.834 -10.277 1.00 8.08 ? 56 ASN A CA 1
849
+ ATOM 441 C C . ASN A 1 56 ? -17.404 -9.121 -11.701 1.00 8.64 ? 56 ASN A C 1
850
+ ATOM 442 O O . ASN A 1 56 ? -17.673 -8.206 -12.475 1.00 8.99 ? 56 ASN A O 1
851
+ ATOM 443 C CB . ASN A 1 56 ? -18.164 -8.989 -9.351 1.00 9.23 ? 56 ASN A CB 1
852
+ ATOM 444 C CG . ASN A 1 56 ? -17.805 -8.923 -7.875 1.00 9.20 ? 56 ASN A CG 1
853
+ ATOM 445 O OD1 . ASN A 1 56 ? -16.632 -8.874 -7.497 1.00 9.73 ? 56 ASN A OD1 1
854
+ ATOM 446 N ND2 . ASN A 1 56 ? -18.829 -8.939 -7.027 1.00 8.92 ? 56 ASN A ND2 1
855
+ ATOM 447 N N . LEU A 1 57 ? -17.497 -10.402 -12.035 1.00 8.28 ? 57 LEU A N 1
856
+ ATOM 448 C CA . LEU A 1 57 ? -17.961 -10.800 -13.354 1.00 7.89 ? 57 LEU A CA 1
857
+ ATOM 449 C C . LEU A 1 57 ? -19.457 -11.026 -13.235 1.00 7.64 ? 57 LEU A C 1
858
+ ATOM 450 O O . LEU A 1 57 ? -19.902 -11.824 -12.417 1.00 8.00 ? 57 LEU A O 1
859
+ ATOM 451 C CB . LEU A 1 57 ? -17.245 -12.078 -13.808 1.00 8.34 ? 57 LEU A CB 1
860
+ ATOM 452 C CG . LEU A 1 57 ? -17.687 -12.712 -15.136 1.00 7.85 ? 57 LEU A CG 1
861
+ ATOM 453 C CD1 . LEU A 1 57 ? -16.500 -13.404 -15.778 1.00 9.41 ? 57 LEU A CD1 1
862
+ ATOM 454 C CD2 . LEU A 1 57 ? -18.827 -13.697 -14.908 1.00 9.95 ? 57 LEU A CD2 1
863
+ ATOM 455 N N . ARG A 1 58 ? -20.224 -10.285 -14.029 1.00 7.74 ? 58 ARG A N 1
864
+ ATOM 456 C CA . ARG A 1 58 ? -21.675 -10.399 -14.034 1.00 8.26 ? 58 ARG A CA 1
865
+ ATOM 457 C C . ARG A 1 58 ? -22.128 -10.407 -15.487 1.00 8.11 ? 58 ARG A C 1
866
+ ATOM 458 O O . ARG A 1 58 ? -22.076 -9.369 -16.157 1.00 8.44 ? 58 ARG A O 1
867
+ ATOM 459 C CB . ARG A 1 58 ? -22.330 -9.202 -13.329 1.00 7.73 ? 58 ARG A CB 1
868
+ ATOM 460 C CG . ARG A 1 58 ? -21.875 -8.957 -11.901 1.00 8.03 ? 58 ARG A CG 1
869
+ ATOM 461 C CD . ARG A 1 58 ? -22.514 -7.680 -11.356 1.00 7.65 ? 58 ARG A CD 1
870
+ ATOM 462 N NE . ARG A 1 58 ? -22.059 -7.353 -10.005 1.00 8.82 ? 58 ARG A NE 1
871
+ ATOM 463 C CZ . ARG A 1 58 ? -20.990 -6.612 -9.723 1.00 8.26 ? 58 ARG A CZ 1
872
+ ATOM 464 N NH1 . ARG A 1 58 ? -20.247 -6.102 -10.700 1.00 7.40 ? 58 ARG A NH1 1
873
+ ATOM 465 N NH2 . ARG A 1 58 ? -20.660 -6.375 -8.458 1.00 8.81 ? 58 ARG A NH2 1
874
+ ATOM 466 N N . VAL A 1 59 ? -22.539 -11.570 -15.987 1.00 8.55 ? 59 VAL A N 1
875
+ ATOM 467 C CA . VAL A 1 59 ? -23.035 -11.650 -17.356 1.00 8.38 ? 59 VAL A CA 1
876
+ ATOM 468 C C . VAL A 1 59 ? -24.341 -12.428 -17.362 1.00 8.23 ? 59 VAL A C 1
877
+ ATOM 469 O O . VAL A 1 59 ? -24.541 -13.360 -16.576 1.00 9.78 ? 59 VAL A O 1
878
+ ATOM 470 C CB . VAL A 1 59 ? -22.020 -12.301 -18.341 1.00 9.10 ? 59 VAL A CB 1
879
+ ATOM 471 C CG1 . VAL A 1 59 ? -20.753 -11.452 -18.400 1.00 9.48 ? 59 VAL A CG1 1
880
+ ATOM 472 C CG2 . VAL A 1 59 ? -21.707 -13.736 -17.947 1.00 9.09 ? 59 VAL A CG2 1
881
+ ATOM 473 N N . ASN A 1 60 ? -25.236 -12.010 -18.247 1.00 8.22 ? 60 ASN A N 1
882
+ ATOM 474 C CA . ASN A 1 60 ? -26.556 -12.609 -18.364 1.00 9.74 ? 60 ASN A CA 1
883
+ ATOM 475 C C . ASN A 1 60 ? -26.942 -12.740 -19.835 1.00 9.24 ? 60 ASN A C 1
884
+ ATOM 476 O O . ASN A 1 60 ? -26.558 -11.917 -20.661 1.00 9.08 ? 60 ASN A O 1
885
+ ATOM 477 C CB . ASN A 1 60 ? -27.553 -11.714 -17.625 1.00 9.37 ? 60 ASN A CB 1
886
+ ATOM 478 C CG . ASN A 1 60 ? -28.959 -12.264 -17.621 1.00 10.84 ? 60 ASN A CG 1
887
+ ATOM 479 O OD1 . ASN A 1 60 ? -29.192 -13.448 -17.346 1.00 10.80 ? 60 ASN A OD1 1
888
+ ATOM 480 N ND2 . ASN A 1 60 ? -29.905 -11.367 -17.887 1.00 11.04 ? 60 ASN A ND2 1
889
+ ATOM 481 N N . SER A 1 61 ? -27.686 -13.792 -20.157 1.00 10.11 ? 61 SER A N 1
890
+ ATOM 482 C CA . SER A 1 61 ? -28.145 -14.015 -21.523 1.00 10.89 ? 61 SER A CA 1
891
+ ATOM 483 C C . SER A 1 61 ? -29.473 -14.743 -21.434 1.00 11.63 ? 61 SER A C 1
892
+ ATOM 484 O O . SER A 1 61 ? -29.719 -15.487 -20.481 1.00 12.52 ? 61 SER A O 1
893
+ ATOM 485 C CB . SER A 1 61 ? -27.136 -14.854 -22.319 1.00 11.21 ? 61 SER A CB 1
894
+ ATOM 486 O OG . SER A 1 61 ? -27.058 -16.181 -21.830 1.00 11.09 ? 61 SER A OG 1
895
+ ATOM 487 N N . SER A 1 62 ? -30.327 -14.520 -22.427 1.00 12.63 ? 62 SER A N 1
896
+ ATOM 488 C CA . SER A 1 62 ? -31.634 -15.159 -22.447 1.00 13.30 ? 62 SER A CA 1
897
+ ATOM 489 C C . SER A 1 62 ? -32.247 -15.087 -23.833 1.00 12.85 ? 62 SER A C 1
898
+ ATOM 490 O O . SER A 1 62 ? -31.800 -14.323 -24.680 1.00 12.80 ? 62 SER A O 1
899
+ ATOM 491 C CB . SER A 1 62 ? -32.573 -14.473 -21.446 1.00 14.91 ? 62 SER A CB 1
900
+ ATOM 492 O OG . SER A 1 62 ? -32.823 -13.129 -21.809 1.00 19.46 ? 62 SER A OG 1
901
+ ATOM 493 N N . ALA A 1 63 ? -33.268 -15.906 -24.054 1.00 13.98 ? 63 ALA A N 1
902
+ ATOM 494 C CA . ALA A 1 63 ? -33.994 -15.909 -25.314 1.00 14.76 ? 63 ALA A CA 1
903
+ ATOM 495 C C . ALA A 1 63 ? -35.352 -15.366 -24.905 1.00 14.16 ? 63 ALA A C 1
904
+ ATOM 496 O O . ALA A 1 63 ? -36.071 -16.001 -24.133 1.00 15.71 ? 63 ALA A O 1
905
+ ATOM 497 C CB . ALA A 1 63 ? -34.117 -17.335 -25.864 1.00 16.02 ? 63 ALA A CB 1
906
+ ATOM 498 N N . ASP A 1 64 ? -35.680 -14.176 -25.395 1.00 15.55 ? 64 ASP A N 1
907
+ ATOM 499 C CA . ASP A 1 64 ? -36.942 -13.536 -25.048 1.00 16.70 ? 64 ASP A CA 1
908
+ ATOM 500 C C . ASP A 1 64 ? -37.934 -13.499 -26.210 1.00 18.04 ? 64 ASP A C 1
909
+ ATOM 501 O O . ASP A 1 64 ? -37.547 -13.575 -27.376 1.00 18.69 ? 64 ASP A O 1
910
+ ATOM 502 C CB . ASP A 1 64 ? -36.686 -12.101 -24.571 1.00 17.75 ? 64 ASP A CB 1
911
+ ATOM 503 C CG . ASP A 1 64 ? -35.705 -12.031 -23.407 1.00 17.52 ? 64 ASP A CG 1
912
+ ATOM 504 O OD1 . ASP A 1 64 ? -35.616 -13.007 -22.637 1.00 19.14 ? 64 ASP A OD1 1
913
+ ATOM 505 O OD2 . ASP A 1 64 ? -35.032 -10.988 -23.252 1.00 19.82 ? 64 ASP A OD2 1
914
+ ATOM 506 N N . ASP A 1 65 ? -39.215 -13.370 -25.880 1.00 20.28 ? 65 ASP A N 1
915
+ ATOM 507 C CA . ASP A 1 65 ? -40.265 -13.291 -26.892 1.00 21.73 ? 65 ASP A CA 1
916
+ ATOM 508 C C . ASP A 1 65 ? -40.140 -14.383 -27.947 1.00 21.07 ? 65 ASP A C 1
917
+ ATOM 509 O O . ASP A 1 65 ? -40.210 -14.110 -29.146 1.00 22.15 ? 65 ASP A O 1
918
+ ATOM 510 C CB . ASP A 1 65 ? -40.219 -11.927 -27.579 1.00 24.55 ? 65 ASP A CB 1
919
+ ATOM 511 C CG . ASP A 1 65 ? -40.266 -10.777 -26.594 1.00 28.02 ? 65 ASP A CG 1
920
+ ATOM 512 O OD1 . ASP A 1 65 ? -41.094 -10.828 -25.661 1.00 30.62 ? 65 ASP A OD1 1
921
+ ATOM 513 O OD2 . ASP A 1 65 ? -39.481 -9.817 -26.755 1.00 32.48 ? 65 ASP A OD2 1
922
+ ATOM 514 N N . VAL A 1 66 ? -39.958 -15.618 -27.497 1.00 20.59 ? 66 VAL A N 1
923
+ ATOM 515 C CA . VAL A 1 66 ? -39.804 -16.746 -28.409 1.00 20.48 ? 66 VAL A CA 1
924
+ ATOM 516 C C . VAL A 1 66 ? -41.108 -17.147 -29.108 1.00 21.13 ? 66 VAL A C 1
925
+ ATOM 517 O O . VAL A 1 66 ? -42.123 -17.372 -28.454 1.00 22.72 ? 66 VAL A O 1
926
+ ATOM 518 C CB . VAL A 1 66 ? -39.271 -17.985 -27.663 1.00 20.58 ? 66 VAL A CB 1
927
+ ATOM 519 C CG1 . VAL A 1 66 ? -39.113 -19.147 -28.632 1.00 20.68 ? 66 VAL A CG1 1
928
+ ATOM 520 C CG2 . VAL A 1 66 ? -37.939 -17.660 -26.997 1.00 20.19 ? 66 VAL A CG2 1
929
+ ATOM 521 N N . THR A 1 67 ? -41.068 -17.233 -30.437 1.00 21.57 ? 67 THR A N 1
930
+ ATOM 522 C CA . THR A 1 67 ? -42.228 -17.661 -31.221 1.00 23.22 ? 67 THR A CA 1
931
+ ATOM 523 C C . THR A 1 67 ? -41.735 -18.619 -32.293 1.00 23.64 ? 67 THR A C 1
932
+ ATOM 524 O O . THR A 1 67 ? -40.535 -18.871 -32.404 1.00 22.87 ? 67 THR A O 1
933
+ ATOM 525 C CB . THR A 1 67 ? -42.962 -16.490 -31.933 1.00 23.06 ? 67 THR A CB 1
934
+ ATOM 526 O OG1 . THR A 1 67 ? -42.153 -15.989 -33.001 1.00 24.27 ? 67 THR A OG1 1
935
+ ATOM 527 C CG2 . THR A 1 67 ? -43.283 -15.376 -30.961 1.00 24.99 ? 67 THR A CG2 1
936
+ ATOM 528 N N . VAL A 1 68 ? -42.658 -19.151 -33.085 1.00 23.71 ? 68 VAL A N 1
937
+ ATOM 529 C CA . VAL A 1 68 ? -42.276 -20.072 -34.142 1.00 23.67 ? 68 VAL A CA 1
938
+ ATOM 530 C C . VAL A 1 68 ? -41.487 -19.323 -35.210 1.00 22.71 ? 68 VAL A C 1
939
+ ATOM 531 O O . VAL A 1 68 ? -40.751 -19.925 -35.987 1.00 23.05 ? 68 VAL A O 1
940
+ ATOM 532 C CB . VAL A 1 68 ? -43.517 -20.738 -34.794 1.00 24.50 ? 68 VAL A CB 1
941
+ ATOM 533 C CG1 . VAL A 1 68 ? -44.248 -21.603 -33.774 1.00 25.32 ? 68 VAL A CG1 1
942
+ ATOM 534 C CG2 . VAL A 1 68 ? -44.451 -19.671 -35.347 1.00 24.90 ? 68 VAL A CG2 1
943
+ ATOM 535 N N . GLY A 1 69 ? -41.634 -18.001 -35.232 1.00 23.29 ? 69 GLY A N 1
944
+ ATOM 536 C CA . GLY A 1 69 ? -40.938 -17.192 -36.219 1.00 22.84 ? 69 GLY A CA 1
945
+ ATOM 537 C C . GLY A 1 69 ? -39.546 -16.717 -35.831 1.00 22.50 ? 69 GLY A C 1
946
+ ATOM 538 O O . GLY A 1 69 ? -38.754 -16.332 -36.694 1.00 22.72 ? 69 GLY A O 1
947
+ ATOM 539 N N . GLY A 1 70 ? -39.247 -16.727 -34.536 1.00 22.63 ? 70 GLY A N 1
948
+ ATOM 540 C CA . GLY A 1 70 ? -37.937 -16.290 -34.080 1.00 21.27 ? 70 GLY A CA 1
949
+ ATOM 541 C C . GLY A 1 70 ? -37.959 -15.878 -32.624 1.00 19.70 ? 70 GLY A C 1
950
+ ATOM 542 O O . GLY A 1 70 ? -38.884 -16.219 -31.894 1.00 20.04 ? 70 GLY A O 1
951
+ ATOM 543 N N . PHE A 1 71 ? -36.939 -15.141 -32.193 1.00 18.59 ? 71 PHE A N 1
952
+ ATOM 544 C CA . PHE A 1 71 ? -36.878 -14.684 -30.812 1.00 17.83 ? 71 PHE A CA 1
953
+ ATOM 545 C C . PHE A 1 71 ? -35.912 -13.518 -30.706 1.00 16.56 ? 71 PHE A C 1
954
+ ATOM 546 O O . PHE A 1 71 ? -35.249 -13.157 -31.678 1.00 17.13 ? 71 PHE A O 1
955
+ ATOM 547 C CB . PHE A 1 71 ? -36.431 -15.824 -29.878 1.00 16.55 ? 71 PHE A CB 1
956
+ ATOM 548 C CG . PHE A 1 71 ? -34.977 -16.206 -30.013 1.00 16.62 ? 71 PHE A CG 1
957
+ ATOM 549 C CD1 . PHE A 1 71 ? -34.032 -15.762 -29.084 1.00 15.65 ? 71 PHE A CD1 1
958
+ ATOM 550 C CD2 . PHE A 1 71 ? -34.554 -17.030 -31.050 1.00 16.62 ? 71 PHE A CD2 1
959
+ ATOM 551 C CE1 . PHE A 1 71 ? -32.687 -16.142 -29.192 1.00 14.44 ? 71 PHE A CE1 1
960
+ ATOM 552 C CE2 . PHE A 1 71 ? -33.217 -17.413 -31.167 1.00 17.16 ? 71 PHE A CE2 1
961
+ ATOM 553 C CZ . PHE A 1 71 ? -32.280 -16.969 -30.234 1.00 15.90 ? 71 PHE A CZ 1
962
+ ATOM 554 N N . THR A 1 72 ? -35.851 -12.919 -29.524 1.00 16.52 ? 72 THR A N 1
963
+ ATOM 555 C CA . THR A 1 72 ? -34.945 -11.809 -29.285 1.00 15.25 ? 72 THR A CA 1
964
+ ATOM 556 C C . THR A 1 72 ? -33.798 -12.349 -28.445 1.00 13.31 ? 72 THR A C 1
965
+ ATOM 557 O O . THR A 1 72 ? -34.002 -12.802 -27.321 1.00 13.70 ? 72 THR A O 1
966
+ ATOM 558 C CB . THR A 1 72 ? -35.641 -10.650 -28.529 1.00 16.48 ? 72 THR A CB 1
967
+ ATOM 559 O OG1 . THR A 1 72 ? -36.675 -10.085 -29.352 1.00 18.68 ? 72 THR A OG1 1
968
+ ATOM 560 C CG2 . THR A 1 72 ? -34.630 -9.561 -28.187 1.00 16.24 ? 72 THR A CG2 1
969
+ ATOM 561 N N . LEU A 1 73 ? -32.603 -12.322 -29.028 1.00 13.43 ? 73 LEU A N 1
970
+ ATOM 562 C CA . LEU A 1 73 ? -31.392 -12.794 -28.368 1.00 11.89 ? 73 LEU A CA 1
971
+ ATOM 563 C C . LEU A 1 73 ? -30.932 -11.674 -27.443 1.00 12.28 ? 73 LEU A C 1
972
+ ATOM 564 O O . LEU A 1 73 ? -30.516 -10.610 -27.902 1.00 12.46 ? 73 LEU A O 1
973
+ ATOM 565 C CB . LEU A 1 73 ? -30.323 -13.105 -29.410 1.00 12.66 ? 73 LEU A CB 1
974
+ ATOM 566 C CG . LEU A 1 73 ? -28.949 -13.540 -28.905 1.00 11.27 ? 73 LEU A CG 1
975
+ ATOM 567 C CD1 . LEU A 1 73 ? -29.071 -14.828 -28.113 1.00 11.97 ? 73 LEU A CD1 1
976
+ ATOM 568 C CD2 . LEU A 1 73 ? -28.018 -13.727 -30.090 1.00 11.33 ? 73 LEU A CD2 1
977
+ ATOM 569 N N . HIS A 1 74 ? -31.013 -11.930 -26.140 1.00 11.39 ? 74 HIS A N 1
978
+ ATOM 570 C CA . HIS A 1 74 ? -30.676 -10.932 -25.134 1.00 11.69 ? 74 HIS A CA 1
979
+ ATOM 571 C C . HIS A 1 74 ? -29.409 -11.166 -24.325 1.00 11.54 ? 74 HIS A C 1
980
+ ATOM 572 O O . HIS A 1 74 ? -29.102 -12.289 -23.937 1.00 12.14 ? 74 HIS A O 1
981
+ ATOM 573 C CB . HIS A 1 74 ? -31.833 -10.801 -24.147 1.00 10.73 ? 74 HIS A CB 1
982
+ ATOM 574 C CG . HIS A 1 74 ? -31.527 -9.899 -22.991 1.00 11.52 ? 74 HIS A CG 1
983
+ ATOM 575 N ND1 . HIS A 1 74 ? -31.584 -8.529 -23.086 1.00 13.26 ? 74 HIS A ND1 1
984
+ ATOM 576 C CD2 . HIS A 1 74 ? -31.104 -10.178 -21.735 1.00 12.60 ? 74 HIS A CD2 1
985
+ ATOM 577 C CE1 . HIS A 1 74 ? -31.207 -7.995 -21.932 1.00 12.90 ? 74 HIS A CE1 1
986
+ ATOM 578 N NE2 . HIS A 1 74 ? -30.912 -8.974 -21.100 1.00 11.69 ? 74 HIS A NE2 1
987
+ ATOM 579 N N . TYR A 1 75 ? -28.713 -10.069 -24.035 1.00 11.56 ? 75 TYR A N 1
988
+ ATOM 580 C CA . TYR A 1 75 ? -27.506 -10.096 -23.223 1.00 10.62 ? 75 TYR A CA 1
989
+ ATOM 581 C C . TYR A 1 75 ? -27.466 -8.850 -22.377 1.00 10.76 ? 75 TYR A C 1
990
+ ATOM 582 O O . TYR A 1 75 ? -27.944 -7.801 -22.783 1.00 10.06 ? 75 TYR A O 1
991
+ ATOM 583 C CB . TYR A 1 75 ? -26.222 -10.078 -24.074 1.00 10.33 ? 75 TYR A CB 1
992
+ ATOM 584 C CG . TYR A 1 75 ? -25.003 -9.539 -23.304 1.00 10.53 ? 75 TYR A CG 1
993
+ ATOM 585 C CD1 . TYR A 1 75 ? -24.195 -10.390 -22.541 1.00 9.71 ? 75 TYR A CD1 1
994
+ ATOM 586 C CD2 . TYR A 1 75 ? -24.692 -8.170 -23.309 1.00 9.64 ? 75 TYR A CD2 1
995
+ ATOM 587 C CE1 . TYR A 1 75 ? -23.106 -9.892 -21.804 1.00 10.76 ? 75 TYR A CE1 1
996
+ ATOM 588 C CE2 . TYR A 1 75 ? -23.606 -7.664 -22.571 1.00 10.31 ? 75 TYR A CE2 1
997
+ ATOM 589 C CZ . TYR A 1 75 ? -22.825 -8.531 -21.828 1.00 10.61 ? 75 TYR A CZ 1
998
+ ATOM 590 O OH . TYR A 1 75 ? -21.758 -8.041 -21.109 1.00 13.42 ? 75 TYR A OH 1
999
+ ATOM 591 N N . ASN A 1 76 ? -26.888 -8.975 -21.191 1.00 10.38 ? 76 ASN A N 1
1000
+ ATOM 592 C CA . ASN A 1 76 ? -26.649 -7.813 -20.344 1.00 9.86 ? 76 ASN A CA 1
1001
+ ATOM 593 C C . ASN A 1 76 ? -25.714 -8.145 -19.220 1.00 9.76 ? 76 ASN A C 1
1002
+ ATOM 594 O O . ASN A 1 76 ? -25.611 -9.286 -18.787 1.00 10.66 ? 76 ASN A O 1
1003
+ ATOM 595 C CB . ASN A 1 76 ? -27.925 -7.179 -19.742 1.00 10.46 ? 76 ASN A CB 1
1004
+ ATOM 596 C CG . ASN A 1 76 ? -28.515 -7.979 -18.596 1.00 12.17 ? 76 ASN A CG 1
1005
+ ATOM 597 O OD1 . ASN A 1 76 ? -29.343 -8.849 -18.825 1.00 13.13 ? 76 ASN A OD1 1
1006
+ ATOM 598 N ND2 . ASN A 1 76 ? -28.105 -7.681 -17.355 1.00 11.06 ? 76 ASN A ND2 1
1007
+ ATOM 599 N N . SER A 1 77 ? -24.993 -7.125 -18.791 1.00 10.69 ? 77 SER A N 1
1008
+ ATOM 600 C CA . SER A 1 77 ? -24.116 -7.248 -17.645 1.00 9.97 ? 77 SER A CA 1
1009
+ ATOM 601 C C . SER A 1 77 ? -24.835 -6.319 -16.708 1.00 9.45 ? 77 SER A C 1
1010
+ ATOM 602 O O . SER A 1 77 ? -25.892 -5.796 -17.065 1.00 10.21 ? 77 SER A O 1
1011
+ ATOM 603 C CB . SER A 1 77 ? -22.688 -6.740 -17.953 1.00 10.30 ? 77 SER A CB 1
1012
+ ATOM 604 O OG . SER A 1 77 ? -22.695 -5.411 -18.455 1.00 12.49 ? 77 SER A OG 1
1013
+ ATOM 605 N N . TRP A 1 78 ? -24.302 -6.123 -15.510 1.00 8.72 ? 78 TRP A N 1
1014
+ ATOM 606 C CA . TRP A 1 78 ? -24.929 -5.185 -14.587 1.00 8.51 ? 78 TRP A CA 1
1015
+ ATOM 607 C C . TRP A 1 78 ? -23.911 -4.663 -13.574 1.00 9.41 ? 78 TRP A C 1
1016
+ ATOM 608 O O . TRP A 1 78 ? -22.754 -5.090 -13.562 1.00 9.55 ? 78 TRP A O 1
1017
+ ATOM 609 C CB . TRP A 1 78 ? -26.201 -5.773 -13.919 1.00 9.27 ? 78 TRP A CB 1
1018
+ ATOM 610 C CG . TRP A 1 78 ? -26.050 -6.915 -12.963 1.00 9.79 ? 78 TRP A CG 1
1019
+ ATOM 611 C CD1 . TRP A 1 78 ? -26.068 -6.849 -11.597 1.00 9.89 ? 78 TRP A CD1 1
1020
+ ATOM 612 C CD2 . TRP A 1 78 ? -25.898 -8.298 -13.299 1.00 9.50 ? 78 TRP A CD2 1
1021
+ ATOM 613 N NE1 . TRP A 1 78 ? -25.938 -8.108 -11.061 1.00 8.17 ? 78 TRP A NE1 1
1022
+ ATOM 614 C CE2 . TRP A 1 78 ? -25.829 -9.016 -12.083 1.00 9.55 ? 78 TRP A CE2 1
1023
+ ATOM 615 C CE3 . TRP A 1 78 ? -25.814 -9.002 -14.510 1.00 9.92 ? 78 TRP A CE3 1
1024
+ ATOM 616 C CZ2 . TRP A 1 78 ? -25.673 -10.407 -12.041 1.00 9.56 ? 78 TRP A CZ2 1
1025
+ ATOM 617 C CZ3 . TRP A 1 78 ? -25.659 -10.391 -14.470 1.00 9.58 ? 78 TRP A CZ3 1
1026
+ ATOM 618 C CH2 . TRP A 1 78 ? -25.590 -11.077 -13.240 1.00 8.52 ? 78 TRP A CH2 1
1027
+ ATOM 619 N N . TYR A 1 79 ? -24.343 -3.699 -12.770 1.00 9.01 ? 79 TYR A N 1
1028
+ ATOM 620 C CA . TYR A 1 79 ? -23.505 -3.024 -11.785 1.00 8.86 ? 79 TYR A CA 1
1029
+ ATOM 621 C C . TYR A 1 79 ? -22.173 -2.579 -12.396 1.00 9.60 ? 79 TYR A C 1
1030
+ ATOM 622 O O . TYR A 1 79 ? -22.153 -2.071 -13.509 1.00 10.07 ? 79 TYR A O 1
1031
+ ATOM 623 C CB . TYR A 1 79 ? -23.284 -3.875 -10.520 1.00 7.91 ? 79 TYR A CB 1
1032
+ ATOM 624 C CG . TYR A 1 79 ? -23.055 -3.002 -9.284 1.00 9.27 ? 79 TYR A CG 1
1033
+ ATOM 625 C CD1 . TYR A 1 79 ? -23.956 -1.982 -8.956 1.00 10.97 ? 79 TYR A CD1 1
1034
+ ATOM 626 C CD2 . TYR A 1 79 ? -21.950 -3.193 -8.451 1.00 9.56 ? 79 TYR A CD2 1
1035
+ ATOM 627 C CE1 . TYR A 1 79 ? -23.759 -1.169 -7.824 1.00 12.33 ? 79 TYR A CE1 1
1036
+ ATOM 628 C CE2 . TYR A 1 79 ? -21.746 -2.390 -7.324 1.00 11.89 ? 79 TYR A CE2 1
1037
+ ATOM 629 C CZ . TYR A 1 79 ? -22.654 -1.385 -7.018 1.00 13.63 ? 79 TYR A CZ 1
1038
+ ATOM 630 O OH . TYR A 1 79 ? -22.455 -0.603 -5.898 1.00 15.32 ? 79 TYR A OH 1
1039
+ ATOM 631 N N . THR A 1 80 ? -21.077 -2.775 -11.671 1.00 9.30 ? 80 THR A N 1
1040
+ ATOM 632 C CA . THR A 1 80 ? -19.743 -2.336 -12.092 1.00 10.56 ? 80 THR A CA 1
1041
+ ATOM 633 C C . THR A 1 80 ? -18.969 -3.184 -13.107 1.00 9.18 ? 80 THR A C 1
1042
+ ATOM 634 O O . THR A 1 80 ? -17.837 -2.849 -13.469 1.00 10.83 ? 80 THR A O 1
1043
+ ATOM 635 C CB . THR A 1 80 ? -18.856 -2.198 -10.870 1.00 10.46 ? 80 THR A CB 1
1044
+ ATOM 636 O OG1 . THR A 1 80 ? -18.857 -3.447 -10.170 1.00 10.87 ? 80 THR A OG1 1
1045
+ ATOM 637 C CG2 . THR A 1 80 ? -19.391 -1.108 -9.947 1.00 13.03 ? 80 THR A CG2 1
1046
+ ATOM 638 N N . THR A 1 81 ? -19.573 -4.269 -13.569 1.00 8.35 ? 81 THR A N 1
1047
+ ATOM 639 C CA . THR A 1 81 ? -18.914 -5.159 -14.512 1.00 8.44 ? 81 THR A CA 1
1048
+ ATOM 640 C C . THR A 1 81 ? -18.551 -4.500 -15.836 1.00 8.80 ? 81 THR A C 1
1049
+ ATOM 641 O O . THR A 1 81 ? -19.327 -3.723 -16.398 1.00 9.06 ? 81 THR A O 1
1050
+ ATOM 642 C CB . THR A 1 81 ? -19.805 -6.388 -14.763 1.00 8.29 ? 81 THR A CB 1
1051
+ ATOM 643 O OG1 . THR A 1 81 ? -19.929 -7.123 -13.539 1.00 8.58 ? 81 THR A OG1 1
1052
+ ATOM 644 C CG2 . THR A 1 81 ? -19.209 -7.293 -15.834 1.00 8.44 ? 81 THR A CG2 1
1053
+ ATOM 645 N N . THR A 1 82 ? -17.354 -4.807 -16.322 1.00 7.88 ? 82 THR A N 1
1054
+ ATOM 646 C CA . THR A 1 82 ? -16.886 -4.280 -17.589 1.00 8.50 ? 82 THR A CA 1
1055
+ ATOM 647 C C . THR A 1 82 ? -16.587 -5.463 -18.495 1.00 8.32 ? 82 THR A C 1
1056
+ ATOM 648 O O . THR A 1 82 ? -15.762 -6.315 -18.168 1.00 9.66 ? 82 THR A O 1
1057
+ ATOM 649 C CB . THR A 1 82 ? -15.608 -3.432 -17.415 1.00 10.82 ? 82 THR A CB 1
1058
+ ATOM 650 O OG1 . THR A 1 82 ? -15.925 -2.254 -16.660 1.00 15.37 ? 82 THR A OG1 1
1059
+ ATOM 651 C CG2 . THR A 1 82 ? -15.039 -3.033 -18.772 1.00 12.50 ? 82 THR A CG2 1
1060
+ ATOM 652 N N . VAL A 1 83 ? -17.291 -5.514 -19.620 1.00 8.65 ? 83 VAL A N 1
1061
+ ATOM 653 C CA . VAL A 1 83 ? -17.114 -6.579 -20.593 1.00 8.40 ? 83 VAL A CA 1
1062
+ ATOM 654 C C . VAL A 1 83 ? -16.525 -5.967 -21.863 1.00 8.69 ? 83 VAL A C 1
1063
+ ATOM 655 O O . VAL A 1 83 ? -17.067 -5.004 -22.411 1.00 9.29 ? 83 VAL A O 1
1064
+ ATOM 656 C CB . VAL A 1 83 ? -18.460 -7.265 -20.887 1.00 8.90 ? 83 VAL A CB 1
1065
+ ATOM 657 C CG1 . VAL A 1 83 ? -18.268 -8.409 -21.867 1.00 10.45 ? 83 VAL A CG1 1
1066
+ ATOM 658 C CG2 . VAL A 1 83 ? -19.067 -7.780 -19.580 1.00 10.99 ? 83 VAL A CG2 1
1067
+ ATOM 659 N N . TRP A 1 84 ? -15.406 -6.531 -22.311 1.00 8.23 ? 84 TRP A N 1
1068
+ ATOM 660 C CA . TRP A 1 84 ? -14.690 -6.038 -23.489 1.00 8.74 ? 84 TRP A CA 1
1069
+ ATOM 661 C C . TRP A 1 84 ? -14.998 -6.751 -24.811 1.00 9.24 ? 84 TRP A C 1
1070
+ ATOM 662 O O . TRP A 1 84 ? -14.818 -6.180 -25.889 1.00 9.34 ? 84 TRP A O 1
1071
+ ATOM 663 C CB . TRP A 1 84 ? -13.187 -6.124 -23.233 1.00 9.14 ? 84 TRP A CB 1
1072
+ ATOM 664 C CG . TRP A 1 84 ? -12.711 -5.252 -22.107 1.00 9.27 ? 84 TRP A CG 1
1073
+ ATOM 665 C CD1 . TRP A 1 84 ? -12.256 -5.661 -20.879 1.00 8.68 ? 84 TRP A CD1 1
1074
+ ATOM 666 C CD2 . TRP A 1 84 ? -12.576 -3.827 -22.131 1.00 9.24 ? 84 TRP A CD2 1
1075
+ ATOM 667 N NE1 . TRP A 1 84 ? -11.835 -4.572 -20.143 1.00 10.54 ? 84 TRP A NE1 1
1076
+ ATOM 668 C CE2 . TRP A 1 84 ? -12.021 -3.437 -20.887 1.00 9.46 ? 84 TRP A CE2 1
1077
+ ATOM 669 C CE3 . TRP A 1 84 ? -12.862 -2.841 -23.084 1.00 10.19 ? 84 TRP A CE3 1
1078
+ ATOM 670 C CZ2 . TRP A 1 84 ? -11.751 -2.100 -20.577 1.00 10.29 ? 84 TRP A CZ2 1
1079
+ ATOM 671 C CZ3 . TRP A 1 84 ? -12.590 -1.513 -22.774 1.00 9.65 ? 84 TRP A CZ3 1
1080
+ ATOM 672 C CH2 . TRP A 1 84 ? -12.039 -1.156 -21.530 1.00 9.59 ? 84 TRP A CH2 1
1081
+ ATOM 673 N N . ASN A 1 85 ? -15.437 -8.001 -24.721 1.00 8.79 ? 85 ASN A N 1
1082
+ ATOM 674 C CA . ASN A 1 85 ? -15.768 -8.810 -25.896 1.00 8.85 ? 85 ASN A CA 1
1083
+ ATOM 675 C C . ASN A 1 85 ? -16.609 -9.987 -25.419 1.00 8.88 ? 85 ASN A C 1
1084
+ ATOM 676 O O . ASN A 1 85 ? -16.445 -10.445 -24.293 1.00 9.02 ? 85 ASN A O 1
1085
+ ATOM 677 C CB . ASN A 1 85 ? -14.512 -9.440 -26.541 1.00 8.51 ? 85 ASN A CB 1
1086
+ ATOM 678 C CG . ASN A 1 85 ? -13.586 -8.437 -27.205 1.00 10.27 ? 85 ASN A CG 1
1087
+ ATOM 679 O OD1 . ASN A 1 85 ? -13.930 -7.819 -28.216 1.00 10.93 ? 85 ASN A OD1 1
1088
+ ATOM 680 N ND2 . ASN A 1 85 ? -12.381 -8.303 -26.661 1.00 9.99 ? 85 ASN A ND2 1
1089
+ ATOM 681 N N . TYR A 1 86 ? -17.490 -10.492 -26.277 1.00 8.70 ? 86 TYR A N 1
1090
+ ATOM 682 C CA . TYR A 1 86 ? -18.261 -11.693 -25.946 1.00 8.94 ? 86 TYR A CA 1
1091
+ ATOM 683 C C . TYR A 1 86 ? -18.911 -12.253 -27.189 1.00 10.12 ? 86 TYR A C 1
1092
+ ATOM 684 O O . TYR A 1 86 ? -19.109 -11.549 -28.177 1.00 11.52 ? 86 TYR A O 1
1093
+ ATOM 685 C CB . TYR A 1 86 ? -19.325 -11.449 -24.850 1.00 9.12 ? 86 TYR A CB 1
1094
+ ATOM 686 C CG . TYR A 1 86 ? -20.515 -10.603 -25.237 1.00 9.52 ? 86 TYR A CG 1
1095
+ ATOM 687 C CD1 . TYR A 1 86 ? -21.659 -11.160 -25.827 1.00 10.36 ? 86 TYR A CD1 1
1096
+ ATOM 688 C CD2 . TYR A 1 86 ? -20.497 -9.239 -24.998 1.00 9.76 ? 86 TYR A CD2 1
1097
+ ATOM 689 C CE1 . TYR A 1 86 ? -22.754 -10.356 -26.159 1.00 10.02 ? 86 TYR A CE1 1
1098
+ ATOM 690 C CE2 . TYR A 1 86 ? -21.568 -8.432 -25.322 1.00 8.56 ? 86 TYR A CE2 1
1099
+ ATOM 691 C CZ . TYR A 1 86 ? -22.696 -8.991 -25.904 1.00 9.36 ? 86 TYR A CZ 1
1100
+ ATOM 692 O OH . TYR A 1 86 ? -23.753 -8.174 -26.225 1.00 9.98 ? 86 TYR A OH 1
1101
+ ATOM 693 N N . LYS A 1 87 ? -19.188 -13.547 -27.145 1.00 10.55 ? 87 LYS A N 1
1102
+ ATOM 694 C CA . LYS A 1 87 ? -19.860 -14.214 -28.245 1.00 10.47 ? 87 LYS A CA 1
1103
+ ATOM 695 C C . LYS A 1 87 ? -20.944 -15.055 -27.627 1.00 10.38 ? 87 LYS A C 1
1104
+ ATOM 696 O O . LYS A 1 87 ? -20.674 -15.894 -26.772 1.00 10.09 ? 87 LYS A O 1
1105
+ ATOM 697 C CB . LYS A 1 87 ? -18.918 -15.122 -29.051 1.00 11.79 ? 87 LYS A CB 1
1106
+ ATOM 698 C CG . LYS A 1 87 ? -19.661 -15.851 -30.196 1.00 12.69 ? 87 LYS A CG 1
1107
+ ATOM 699 C CD . LYS A 1 87 ? -18.729 -16.682 -31.076 1.00 13.23 ? 87 LYS A CD 1
1108
+ ATOM 700 C CE . LYS A 1 87 ? -18.155 -17.874 -30.320 1.00 15.01 ? 87 LYS A CE 1
1109
+ ATOM 701 N NZ . LYS A 1 87 ? -17.178 -18.637 -31.154 1.00 15.51 ? 87 LYS A NZ 1
1110
+ ATOM 702 N N . LEU A 1 88 ? -22.178 -14.815 -28.050 1.00 10.82 ? 88 LEU A N 1
1111
+ ATOM 703 C CA . LEU A 1 88 ? -23.295 -15.586 -27.538 1.00 11.09 ? 88 LEU A CA 1
1112
+ ATOM 704 C C . LEU A 1 88 ? -23.491 -16.785 -28.437 1.00 11.88 ? 88 LEU A C 1
1113
+ ATOM 705 O O . LEU A 1 88 ? -23.222 -16.711 -29.632 1.00 11.32 ? 88 LEU A O 1
1114
+ ATOM 706 C CB . LEU A 1 88 ? -24.585 -14.764 -27.571 1.00 11.36 ? 88 LEU A CB 1
1115
+ ATOM 707 C CG . LEU A 1 88 ? -24.677 -13.505 -26.717 1.00 11.72 ? 88 LEU A CG 1
1116
+ ATOM 708 C CD1 . LEU A 1 88 ? -25.997 -12.782 -26.973 1.00 11.70 ? 88 LEU A CD1 1
1117
+ ATOM 709 C CD2 . LEU A 1 88 ? -24.551 -13.907 -25.263 1.00 12.47 ? 88 LEU A CD2 1
1118
+ ATOM 710 N N . ILE A 1 89 ? -23.934 -17.893 -27.856 1.00 12.07 ? 89 ILE A N 1
1119
+ ATOM 711 C CA . ILE A 1 89 ? -24.246 -19.075 -28.647 1.00 12.86 ? 89 ILE A CA 1
1120
+ ATOM 712 C C . ILE A 1 89 ? -25.659 -19.401 -28.229 1.00 14.30 ? 89 ILE A C 1
1121
+ ATOM 713 O O . ILE A 1 89 ? -26.050 -19.156 -27.085 1.00 13.54 ? 89 ILE A O 1
1122
+ ATOM 714 C CB . ILE A 1 89 ? -23.323 -20.311 -28.366 1.00 12.82 ? 89 ILE A CB 1
1123
+ ATOM 715 C CG1 . ILE A 1 89 ? -23.483 -20.798 -26.927 1.00 15.42 ? 89 ILE A CG1 1
1124
+ ATOM 716 C CG2 . ILE A 1 89 ? -21.891 -19.989 -28.717 1.00 13.82 ? 89 ILE A CG2 1
1125
+ ATOM 717 C CD1 . ILE A 1 89 ? -22.943 -22.202 -26.714 1.00 18.56 ? 89 ILE A CD1 1
1126
+ ATOM 718 N N . TRP A 1 90 ? -26.444 -19.923 -29.162 1.00 12.98 ? 90 TRP A N 1
1127
+ ATOM 719 C CA . TRP A 1 90 ? -27.819 -20.255 -28.840 1.00 13.03 ? 90 TRP A CA 1
1128
+ ATOM 720 C C . TRP A 1 90 ? -28.298 -21.436 -29.652 1.00 13.77 ? 90 TRP A C 1
1129
+ ATOM 721 O O . TRP A 1 90 ? -27.789 -21.702 -30.737 1.00 13.78 ? 90 TRP A O 1
1130
+ ATOM 722 C CB . TRP A 1 90 ? -28.749 -19.059 -29.097 1.00 13.90 ? 90 TRP A CB 1
1131
+ ATOM 723 C CG . TRP A 1 90 ? -28.765 -18.580 -30.523 1.00 15.50 ? 90 TRP A CG 1
1132
+ ATOM 724 C CD1 . TRP A 1 90 ? -28.006 -17.583 -31.064 1.00 15.23 ? 90 TRP A CD1 1
1133
+ ATOM 725 C CD2 . TRP A 1 90 ? -29.568 -19.098 -31.595 1.00 16.43 ? 90 TRP A CD2 1
1134
+ ATOM 726 N NE1 . TRP A 1 90 ? -28.285 -17.445 -32.405 1.00 16.94 ? 90 TRP A NE1 1
1135
+ ATOM 727 C CE2 . TRP A 1 90 ? -29.238 -18.362 -32.756 1.00 17.03 ? 90 TRP A CE2 1
1136
+ ATOM 728 C CE3 . TRP A 1 90 ? -30.532 -20.111 -31.685 1.00 17.20 ? 90 TRP A CE3 1
1137
+ ATOM 729 C CZ2 . TRP A 1 90 ? -29.841 -18.611 -33.999 1.00 17.71 ? 90 TRP A CZ2 1
1138
+ ATOM 730 C CZ3 . TRP A 1 90 ? -31.131 -20.357 -32.922 1.00 17.89 ? 90 TRP A CZ3 1
1139
+ ATOM 731 C CH2 . TRP A 1 90 ? -30.780 -19.608 -34.060 1.00 17.05 ? 90 TRP A CH2 1
1140
+ ATOM 732 N N . ILE A 1 91 ? -29.266 -22.156 -29.104 1.00 12.69 ? 91 ILE A N 1
1141
+ ATOM 733 C CA . ILE A 1 91 ? -29.837 -23.291 -29.806 1.00 14.62 ? 91 ILE A CA 1
1142
+ ATOM 734 C C . ILE A 1 91 ? -31.317 -23.371 -29.473 1.00 14.82 ? 91 ILE A C 1
1143
+ ATOM 735 O O . ILE A 1 91 ? -31.726 -23.258 -28.314 1.00 13.58 ? 91 ILE A O 1
1144
+ ATOM 736 C CB . ILE A 1 91 ? -29.121 -24.624 -29.456 1.00 15.20 ? 91 ILE A CB 1
1145
+ ATOM 737 C CG1 . ILE A 1 91 ? -29.802 -25.778 -30.202 1.00 14.90 ? 91 ILE A CG1 1
1146
+ ATOM 738 C CG2 . ILE A 1 91 ? -29.133 -24.868 -27.957 1.00 15.53 ? 91 ILE A CG2 1
1147
+ ATOM 739 C CD1 . ILE A 1 91 ? -29.055 -27.088 -30.132 1.00 17.89 ? 91 ILE A CD1 1
1148
+ ATOM 740 N N . ALA A 1 92 ? -32.115 -23.539 -30.521 1.00 15.85 ? 92 ALA A N 1
1149
+ ATOM 741 C CA . ALA A 1 92 ? -33.559 -23.619 -30.398 1.00 16.60 ? 92 ALA A CA 1
1150
+ ATOM 742 C C . ALA A 1 92 ? -34.035 -24.951 -30.948 1.00 16.89 ? 92 ALA A C 1
1151
+ ATOM 743 O O . ALA A 1 92 ? -33.741 -25.286 -32.090 1.00 17.23 ? 92 ALA A O 1
1152
+ ATOM 744 C CB . ALA A 1 92 ? -34.210 -22.486 -31.185 1.00 16.75 ? 92 ALA A CB 1
1153
+ ATOM 745 N N . CYS A 1 93 ? -34.765 -25.713 -30.143 1.00 17.07 ? 93 CYS A N 1
1154
+ ATOM 746 C CA . CYS A 1 93 ? -35.289 -26.986 -30.626 1.00 17.90 ? 93 CYS A CA 1
1155
+ ATOM 747 C C . CYS A 1 93 ? -36.729 -27.132 -30.162 1.00 19.68 ? 93 CYS A C 1
1156
+ ATOM 748 O O . CYS A 1 93 ? -37.097 -26.636 -29.099 1.00 19.31 ? 93 CYS A O 1
1157
+ ATOM 749 C CB . CYS A 1 93 ? -34.498 -28.179 -30.080 1.00 17.73 ? 93 CYS A CB 1
1158
+ ATOM 750 S SG . CYS A 1 93 ? -32.678 -28.241 -30.226 1.00 17.20 ? 93 CYS A SG 1
1159
+ ATOM 751 N N . ASP A 1 94 ? -37.548 -27.812 -30.956 1.00 21.03 ? 94 ASP A N 1
1160
+ ATOM 752 C CA . ASP A 1 94 ? -38.928 -28.035 -30.560 1.00 22.98 ? 94 ASP A CA 1
1161
+ ATOM 753 C C . ASP A 1 94 ? -39.068 -29.512 -30.228 1.00 24.22 ? 94 ASP A C 1
1162
+ ATOM 754 O O . ASP A 1 94 ? -38.008 -30.131 -29.966 1.00 24.64 ? 94 ASP A O 1
1163
+ ATOM 755 C CB . ASP A 1 94 ? -39.917 -27.589 -31.662 1.00 23.44 ? 94 ASP A CB 1
1164
+ ATOM 756 C CG . ASP A 1 94 ? -39.840 -28.432 -32.923 1.00 25.43 ? 94 ASP A CG 1
1165
+ ATOM 757 O OD1 . ASP A 1 94 ? -38.867 -29.194 -33.086 1.00 24.72 ? 94 ASP A OD1 1
1166
+ ATOM 758 O OD2 . ASP A 1 94 ? -40.763 -28.312 -33.760 1.00 27.44 ? 94 ASP A OD2 1
1167
+ ATOM 759 O OXT . ASP A 1 94 ? -40.211 -30.013 -30.208 1.00 24.94 ? 94 ASP A OXT 1
1168
+ #
1169
+ loop_
1170
+ _pdbx_audit_revision_history.ordinal
1171
+ _pdbx_audit_revision_history.data_content_type
1172
+ _pdbx_audit_revision_history.major_revision
1173
+ _pdbx_audit_revision_history.minor_revision
1174
+ _pdbx_audit_revision_history.revision_date
1175
+ 1 'Structure model' 1 0 2015-01-14
1176
+ 2 'Structure model' 1 1 2015-09-23
1177
+ 3 'Structure model' 2 0 2020-07-29
1178
+ #
mmcifs/3WMT_A.cif ADDED
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mmcifs/3WNZ_A.cif ADDED
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