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LindertLab
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DMS-Fold2-Training-Dataset

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1
+ data_4R80_A
2
+ #
3
+ _pdbx_database_status.entry_id 4R80_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 PSEEEEKRRAKQVAKEKILEQNPSSKVQVRRVQKQGNTIRVELEITENGKKTNITVEVEKQGNTFTVKRITETVGS
21
+ _entity_poly.pdbx_seq_one_letter_code_can PSEEEEKRRAKQVAKEKILEQNPSSKVQVRRVQKQGNTIRVELEITENGKKTNITVEVEKQGNTFTVKRITETVGS
22
+ _entity_poly.pdbx_strand_id A
23
+ _entity_poly.pdbx_target_identifier ?
24
+ #
25
+ loop_
26
+ _entity_poly_seq.entity_id
27
+ _entity_poly_seq.num
28
+ _entity_poly_seq.mon_id
29
+ _entity_poly_seq.hetero
30
+ 1 1 PRO n
31
+ 1 2 SER n
32
+ 1 3 GLU n
33
+ 1 4 GLU n
34
+ 1 5 GLU n
35
+ 1 6 GLU n
36
+ 1 7 LYS n
37
+ 1 8 ARG n
38
+ 1 9 ARG n
39
+ 1 10 ALA n
40
+ 1 11 LYS n
41
+ 1 12 GLN n
42
+ 1 13 VAL n
43
+ 1 14 ALA n
44
+ 1 15 LYS n
45
+ 1 16 GLU n
46
+ 1 17 LYS n
47
+ 1 18 ILE n
48
+ 1 19 LEU n
49
+ 1 20 GLU n
50
+ 1 21 GLN n
51
+ 1 22 ASN n
52
+ 1 23 PRO n
53
+ 1 24 SER n
54
+ 1 25 SER n
55
+ 1 26 LYS n
56
+ 1 27 VAL n
57
+ 1 28 GLN n
58
+ 1 29 VAL n
59
+ 1 30 ARG n
60
+ 1 31 ARG n
61
+ 1 32 VAL n
62
+ 1 33 GLN n
63
+ 1 34 LYS n
64
+ 1 35 GLN n
65
+ 1 36 GLY n
66
+ 1 37 ASN n
67
+ 1 38 THR n
68
+ 1 39 ILE n
69
+ 1 40 ARG n
70
+ 1 41 VAL n
71
+ 1 42 GLU n
72
+ 1 43 LEU n
73
+ 1 44 GLU n
74
+ 1 45 ILE n
75
+ 1 46 THR n
76
+ 1 47 GLU n
77
+ 1 48 ASN n
78
+ 1 49 GLY n
79
+ 1 50 LYS n
80
+ 1 51 LYS n
81
+ 1 52 THR n
82
+ 1 53 ASN n
83
+ 1 54 ILE n
84
+ 1 55 THR n
85
+ 1 56 VAL n
86
+ 1 57 GLU n
87
+ 1 58 VAL n
88
+ 1 59 GLU n
89
+ 1 60 LYS n
90
+ 1 61 GLN n
91
+ 1 62 GLY n
92
+ 1 63 ASN n
93
+ 1 64 THR n
94
+ 1 65 PHE n
95
+ 1 66 THR n
96
+ 1 67 VAL n
97
+ 1 68 LYS n
98
+ 1 69 ARG n
99
+ 1 70 ILE n
100
+ 1 71 THR n
101
+ 1 72 GLU n
102
+ 1 73 THR n
103
+ 1 74 VAL n
104
+ 1 75 GLY n
105
+ 1 76 SER n
106
+ #
107
+ _entity.id 1
108
+ _entity.type polymer
109
+ _entity.src_method man
110
+ _entity.pdbx_description ?
111
+ _entity.formula_weight 8694.820
112
+ _entity.pdbx_number_of_molecules 1
113
+ _entity.pdbx_ec ?
114
+ _entity.pdbx_mutation ?
115
+ _entity.pdbx_fragment ?
116
+ _entity.details ?
117
+ #
118
+ loop_
119
+ _pdbx_poly_seq_scheme.asym_id
120
+ _pdbx_poly_seq_scheme.entity_id
121
+ _pdbx_poly_seq_scheme.seq_id
122
+ _pdbx_poly_seq_scheme.mon_id
123
+ _pdbx_poly_seq_scheme.ndb_seq_num
124
+ _pdbx_poly_seq_scheme.pdb_seq_num
125
+ _pdbx_poly_seq_scheme.auth_seq_num
126
+ _pdbx_poly_seq_scheme.pdb_mon_id
127
+ _pdbx_poly_seq_scheme.auth_mon_id
128
+ _pdbx_poly_seq_scheme.pdb_strand_id
129
+ _pdbx_poly_seq_scheme.pdb_ins_code
130
+ _pdbx_poly_seq_scheme.hetero
131
+ A 1 1 PRO 1 1 1 PRO PRO A . n
132
+ A 1 2 SER 2 2 2 SER SER A . n
133
+ A 1 3 GLU 3 3 3 GLU GLU A . n
134
+ A 1 4 GLU 4 4 4 GLU GLU A . n
135
+ A 1 5 GLU 5 5 5 GLU GLU A . n
136
+ A 1 6 GLU 6 6 6 GLU GLU A . n
137
+ A 1 7 LYS 7 7 7 LYS LYS A . n
138
+ A 1 8 ARG 8 8 8 ARG ARG A . n
139
+ A 1 9 ARG 9 9 9 ARG ARG A . n
140
+ A 1 10 ALA 10 10 10 ALA ALA A . n
141
+ A 1 11 LYS 11 11 11 LYS LYS A . n
142
+ A 1 12 GLN 12 12 12 GLN GLN A . n
143
+ A 1 13 VAL 13 13 13 VAL VAL A . n
144
+ A 1 14 ALA 14 14 14 ALA ALA A . n
145
+ A 1 15 LYS 15 15 15 LYS LYS A . n
146
+ A 1 16 GLU 16 16 16 GLU GLU A . n
147
+ A 1 17 LYS 17 17 17 LYS LYS A . n
148
+ A 1 18 ILE 18 18 18 ILE ILE A . n
149
+ A 1 19 LEU 19 19 19 LEU LEU A . n
150
+ A 1 20 GLU 20 20 20 GLU GLU A . n
151
+ A 1 21 GLN 21 21 21 GLN GLN A . n
152
+ A 1 22 ASN 22 22 22 ASN ASN A . n
153
+ A 1 23 PRO 23 23 23 PRO PRO A . n
154
+ A 1 24 SER 24 24 24 SER SER A . n
155
+ A 1 25 SER 25 25 25 SER SER A . n
156
+ A 1 26 LYS 26 26 26 LYS LYS A . n
157
+ A 1 27 VAL 27 27 27 VAL VAL A . n
158
+ A 1 28 GLN 28 28 28 GLN GLN A . n
159
+ A 1 29 VAL 29 29 29 VAL VAL A . n
160
+ A 1 30 ARG 30 30 30 ARG ARG A . n
161
+ A 1 31 ARG 31 31 31 ARG ARG A . n
162
+ A 1 32 VAL 32 32 32 VAL VAL A . n
163
+ A 1 33 GLN 33 33 33 GLN GLN A . n
164
+ A 1 34 LYS 34 34 34 LYS LYS A . n
165
+ A 1 35 GLN 35 35 35 GLN GLN A . n
166
+ A 1 36 GLY 36 36 36 GLY GLY A . n
167
+ A 1 37 ASN 37 37 37 ASN ASN A . n
168
+ A 1 38 THR 38 38 38 THR THR A . n
169
+ A 1 39 ILE 39 39 39 ILE ILE A . n
170
+ A 1 40 ARG 40 40 40 ARG ARG A . n
171
+ A 1 41 VAL 41 41 41 VAL VAL A . n
172
+ A 1 42 GLU 42 42 42 GLU GLU A . n
173
+ A 1 43 LEU 43 43 43 LEU LEU A . n
174
+ A 1 44 GLU 44 44 44 GLU GLU A . n
175
+ A 1 45 ILE 45 45 45 ILE ILE A . n
176
+ A 1 46 THR 46 46 46 THR THR A . n
177
+ A 1 47 GLU 47 47 47 GLU GLU A . n
178
+ A 1 48 ASN 48 48 48 ASN ASN A . n
179
+ A 1 49 GLY 49 49 49 GLY GLY A . n
180
+ A 1 50 LYS 50 50 50 LYS LYS A . n
181
+ A 1 51 LYS 51 51 51 LYS LYS A . n
182
+ A 1 52 THR 52 52 52 THR THR A . n
183
+ A 1 53 ASN 53 53 53 ASN ASN A . n
184
+ A 1 54 ILE 54 54 54 ILE ILE A . n
185
+ A 1 55 THR 55 55 55 THR THR A . n
186
+ A 1 56 VAL 56 56 56 VAL VAL A . n
187
+ A 1 57 GLU 57 57 57 GLU GLU A . n
188
+ A 1 58 VAL 58 58 58 VAL VAL A . n
189
+ A 1 59 GLU 59 59 59 GLU GLU A . n
190
+ A 1 60 LYS 60 60 60 LYS LYS A . n
191
+ A 1 61 GLN 61 61 61 GLN GLN A . n
192
+ A 1 62 GLY 62 62 62 GLY GLY A . n
193
+ A 1 63 ASN 63 63 63 ASN ASN A . n
194
+ A 1 64 THR 64 64 64 THR THR A . n
195
+ A 1 65 PHE 65 65 65 PHE PHE A . n
196
+ A 1 66 THR 66 66 66 THR THR A . n
197
+ A 1 67 VAL 67 67 67 VAL VAL A . n
198
+ A 1 68 LYS 68 68 68 LYS LYS A . n
199
+ A 1 69 ARG 69 69 69 ARG ARG A . n
200
+ A 1 70 ILE 70 70 70 ILE ILE A . n
201
+ A 1 71 THR 71 71 71 THR THR A . n
202
+ A 1 72 GLU 72 72 72 GLU GLU A . n
203
+ A 1 73 THR 73 73 73 THR THR A . n
204
+ A 1 74 VAL 74 74 74 VAL VAL A . n
205
+ A 1 75 GLY 75 75 75 GLY GLY A . n
206
+ A 1 76 SER 76 76 76 SER SER A . n
207
+ #
208
+ loop_
209
+ _chem_comp.id
210
+ _chem_comp.type
211
+ _chem_comp.mon_nstd_flag
212
+ _chem_comp.name
213
+ _chem_comp.pdbx_synonyms
214
+ _chem_comp.formula
215
+ _chem_comp.formula_weight
216
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
217
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
218
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
219
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
220
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
221
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
222
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
223
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
224
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
225
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
226
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
227
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
228
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
229
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
230
+ #
231
+ _struct_asym.id A
232
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
233
+ _struct_asym.pdbx_modified N
234
+ _struct_asym.entity_id 1
235
+ _struct_asym.details ?
236
+ #
237
+ _atom_sites.entry_id 4R80_A
238
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
239
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
240
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
241
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
242
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
243
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
244
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
245
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
246
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
247
+ _atom_sites.fract_transf_vector[1] 0.00000
248
+ _atom_sites.fract_transf_vector[2] 0.00000
249
+ _atom_sites.fract_transf_vector[3] 0.00000
250
+ #
251
+ _pdbx_validate_torsion.id 1
252
+ _pdbx_validate_torsion.PDB_model_num 1
253
+ _pdbx_validate_torsion.auth_comp_id SER
254
+ _pdbx_validate_torsion.auth_asym_id A
255
+ _pdbx_validate_torsion.auth_seq_id 24
256
+ _pdbx_validate_torsion.PDB_ins_code ?
257
+ _pdbx_validate_torsion.label_alt_id ?
258
+ _pdbx_validate_torsion.phi -91.24
259
+ _pdbx_validate_torsion.psi 51.92
260
+ #
261
+ loop_
262
+ _atom_type.symbol
263
+ C
264
+ N
265
+ O
266
+ #
267
+ _entry.id 4R80_A
268
+ #
269
+ loop_
270
+ _atom_site.group_PDB
271
+ _atom_site.id
272
+ _atom_site.type_symbol
273
+ _atom_site.label_atom_id
274
+ _atom_site.label_alt_id
275
+ _atom_site.label_comp_id
276
+ _atom_site.label_asym_id
277
+ _atom_site.label_entity_id
278
+ _atom_site.label_seq_id
279
+ _atom_site.pdbx_PDB_ins_code
280
+ _atom_site.Cartn_x
281
+ _atom_site.Cartn_y
282
+ _atom_site.Cartn_z
283
+ _atom_site.occupancy
284
+ _atom_site.B_iso_or_equiv
285
+ _atom_site.pdbx_formal_charge
286
+ _atom_site.auth_seq_id
287
+ _atom_site.auth_comp_id
288
+ _atom_site.auth_asym_id
289
+ _atom_site.auth_atom_id
290
+ _atom_site.pdbx_PDB_model_num
291
+ ATOM 1 N N . PRO A 1 1 ? 35.432 -0.708 7.647 1.00 49.13 ? 1 PRO A N 1
292
+ ATOM 2 C CA . PRO A 1 1 ? 35.959 0.478 8.332 1.00 38.65 ? 1 PRO A CA 1
293
+ ATOM 3 C C . PRO A 1 1 ? 36.620 1.469 7.374 1.00 28.53 ? 1 PRO A C 1
294
+ ATOM 4 O O . PRO A 1 1 ? 36.946 1.110 6.240 1.00 28.02 ? 1 PRO A O 1
295
+ ATOM 5 C CB . PRO A 1 1 ? 36.987 -0.100 9.317 1.00 32.04 ? 1 PRO A CB 1
296
+ ATOM 6 C CG . PRO A 1 1 ? 37.119 -1.563 8.970 1.00 40.69 ? 1 PRO A CG 1
297
+ ATOM 7 C CD . PRO A 1 1 ? 35.846 -1.957 8.305 1.00 42.21 ? 1 PRO A CD 1
298
+ ATOM 8 N N . SER A 1 2 ? 36.815 2.698 7.838 1.00 22.66 ? 2 SER A N 1
299
+ ATOM 9 C CA . SER A 1 2 ? 37.414 3.747 7.016 1.00 31.33 ? 2 SER A CA 1
300
+ ATOM 10 C C . SER A 1 2 ? 38.879 3.483 6.687 1.00 20.81 ? 2 SER A C 1
301
+ ATOM 11 O O . SER A 1 2 ? 39.541 2.667 7.323 1.00 24.00 ? 2 SER A O 1
302
+ ATOM 12 C CB . SER A 1 2 ? 37.265 5.114 7.688 1.00 31.88 ? 2 SER A CB 1
303
+ ATOM 13 O OG . SER A 1 2 ? 38.032 5.193 8.876 1.00 25.58 ? 2 SER A OG 1
304
+ ATOM 14 N N . GLU A 1 3 ? 39.374 4.194 5.674 1.00 14.67 ? 3 GLU A N 1
305
+ ATOM 15 C CA . GLU A 1 3 ? 40.759 4.083 5.233 1.00 27.63 ? 3 GLU A CA 1
306
+ ATOM 16 C C . GLU A 1 3 ? 41.791 4.401 6.321 1.00 31.10 ? 3 GLU A C 1
307
+ ATOM 17 O O . GLU A 1 3 ? 42.779 3.680 6.473 1.00 26.33 ? 3 GLU A O 1
308
+ ATOM 18 C CB . GLU A 1 3 ? 40.984 4.996 4.022 1.00 28.94 ? 3 GLU A CB 1
309
+ ATOM 19 C CG . GLU A 1 3 ? 42.401 4.981 3.472 1.00 31.98 ? 3 GLU A CG 1
310
+ ATOM 20 C CD . GLU A 1 3 ? 42.748 3.681 2.774 1.00 48.58 ? 3 GLU A CD 1
311
+ ATOM 21 O OE1 . GLU A 1 3 ? 41.822 2.962 2.342 1.00 56.19 ? 3 GLU A OE1 1
312
+ ATOM 22 O OE2 . GLU A 1 3 ? 43.952 3.381 2.656 1.00 65.35 ? 3 GLU A OE2 1
313
+ ATOM 23 N N . GLU A 1 4 ? 41.560 5.471 7.070 1.00 17.43 ? 4 GLU A N 1
314
+ ATOM 24 C CA . GLU A 1 4 ? 42.500 5.906 8.102 1.00 21.60 ? 4 GLU A CA 1
315
+ ATOM 25 C C . GLU A 1 4 ? 42.452 5.027 9.349 1.00 18.74 ? 4 GLU A C 1
316
+ ATOM 26 O O . GLU A 1 4 ? 43.455 4.852 10.041 1.00 25.77 ? 4 GLU A O 1
317
+ ATOM 27 C CB . GLU A 1 4 ? 42.235 7.370 8.468 1.00 14.42 ? 4 GLU A CB 1
318
+ ATOM 28 C CG . GLU A 1 4 ? 43.187 7.941 9.502 1.00 15.98 ? 4 GLU A CG 1
319
+ ATOM 29 C CD . GLU A 1 4 ? 44.635 7.593 9.223 1.00 33.57 ? 4 GLU A CD 1
320
+ ATOM 30 O OE1 . GLU A 1 4 ? 45.099 7.818 8.086 1.00 30.50 ? 4 GLU A OE1 1
321
+ ATOM 31 O OE2 . GLU A 1 4 ? 45.311 7.088 10.144 1.00 40.01 ? 4 GLU A OE2 1
322
+ ATOM 32 N N . GLU A 1 5 ? 41.281 4.463 9.616 1.00 17.77 ? 5 GLU A N 1
323
+ ATOM 33 C CA . GLU A 1 5 ? 41.068 3.599 10.768 1.00 23.67 ? 5 GLU A CA 1
324
+ ATOM 34 C C . GLU A 1 5 ? 41.805 2.277 10.586 1.00 26.69 ? 5 GLU A C 1
325
+ ATOM 35 O O . GLU A 1 5 ? 42.305 1.695 11.547 1.00 20.55 ? 5 GLU A O 1
326
+ ATOM 36 C CB . GLU A 1 5 ? 39.569 3.347 10.912 1.00 19.47 ? 5 GLU A CB 1
327
+ ATOM 37 C CG . GLU A 1 5 ? 39.085 2.802 12.239 1.00 28.37 ? 5 GLU A CG 1
328
+ ATOM 38 C CD . GLU A 1 5 ? 39.143 1.288 12.327 1.00 49.97 ? 5 GLU A CD 1
329
+ ATOM 39 O OE1 . GLU A 1 5 ? 39.290 0.618 11.283 1.00 55.05 ? 5 GLU A OE1 1
330
+ ATOM 40 O OE2 . GLU A 1 5 ? 38.993 0.765 13.451 1.00 41.25 ? 5 GLU A OE2 1
331
+ ATOM 41 N N . GLU A 1 6 ? 41.870 1.811 9.341 1.00 17.90 ? 6 GLU A N 1
332
+ ATOM 42 C CA . GLU A 1 6 ? 42.522 0.544 9.030 1.00 16.74 ? 6 GLU A CA 1
333
+ ATOM 43 C C . GLU A 1 6 ? 44.038 0.687 8.982 1.00 21.73 ? 6 GLU A C 1
334
+ ATOM 44 O O . GLU A 1 6 ? 44.765 -0.227 9.367 1.00 15.35 ? 6 GLU A O 1
335
+ ATOM 45 C CB . GLU A 1 6 ? 41.992 -0.042 7.717 1.00 24.91 ? 6 GLU A CB 1
336
+ ATOM 46 C CG . GLU A 1 6 ? 40.527 -0.460 7.765 1.00 36.46 ? 6 GLU A CG 1
337
+ ATOM 47 C CD . GLU A 1 6 ? 40.074 -1.143 6.487 1.00 42.23 ? 6 GLU A CD 1
338
+ ATOM 48 O OE1 . GLU A 1 6 ? 40.896 -1.276 5.560 1.00 31.93 ? 6 GLU A OE1 1
339
+ ATOM 49 O OE2 . GLU A 1 6 ? 38.894 -1.540 6.404 1.00 33.39 ? 6 GLU A OE2 1
340
+ ATOM 50 N N . LYS A 1 7 ? 44.511 1.833 8.501 1.00 20.12 ? 7 LYS A N 1
341
+ ATOM 51 C CA . LYS A 1 7 ? 45.940 2.115 8.490 1.00 22.09 ? 7 LYS A CA 1
342
+ ATOM 52 C C . LYS A 1 7 ? 46.464 2.272 9.911 1.00 15.05 ? 7 LYS A C 1
343
+ ATOM 53 O O . LYS A 1 7 ? 47.587 1.875 10.215 1.00 14.11 ? 7 LYS A O 1
344
+ ATOM 54 C CB . LYS A 1 7 ? 46.257 3.375 7.681 1.00 16.56 ? 7 LYS A CB 1
345
+ ATOM 55 C CG . LYS A 1 7 ? 46.085 3.233 6.181 1.00 13.03 ? 7 LYS A CG 1
346
+ ATOM 56 C CD . LYS A 1 7 ? 46.318 4.569 5.495 1.00 17.67 ? 7 LYS A CD 1
347
+ ATOM 57 C CE . LYS A 1 7 ? 46.604 4.394 4.017 1.00 21.28 ? 7 LYS A CE 1
348
+ ATOM 58 N NZ . LYS A 1 7 ? 46.821 5.701 3.343 1.00 25.19 ? 7 LYS A NZ 1
349
+ ATOM 59 N N . ARG A 1 8 ? 45.646 2.862 10.774 1.00 10.74 ? 8 ARG A N 1
350
+ ATOM 60 C CA . ARG A 1 8 ? 46.032 3.075 12.164 1.00 17.60 ? 8 ARG A CA 1
351
+ ATOM 61 C C . ARG A 1 8 ? 46.185 1.757 12.922 1.00 14.92 ? 8 ARG A C 1
352
+ ATOM 62 O O . ARG A 1 8 ? 47.174 1.549 13.627 1.00 8.90 ? 8 ARG A O 1
353
+ ATOM 63 C CB . ARG A 1 8 ? 45.036 4.008 12.860 1.00 21.09 ? 8 ARG A CB 1
354
+ ATOM 64 C CG . ARG A 1 8 ? 45.374 4.323 14.306 1.00 27.78 ? 8 ARG A CG 1
355
+ ATOM 65 C CD . ARG A 1 8 ? 44.145 4.800 15.063 1.00 26.00 ? 8 ARG A CD 1
356
+ ATOM 66 N NE . ARG A 1 8 ? 43.131 3.758 15.179 1.00 34.55 ? 8 ARG A NE 1
357
+ ATOM 67 C CZ . ARG A 1 8 ? 43.130 2.815 16.115 1.00 43.72 ? 8 ARG A CZ 1
358
+ ATOM 68 N NH1 . ARG A 1 8 ? 44.096 2.774 17.022 1.00 40.25 ? 8 ARG A NH1 1
359
+ ATOM 69 N NH2 . ARG A 1 8 ? 42.162 1.909 16.142 1.00 40.71 ? 8 ARG A NH2 1
360
+ ATOM 70 N N . ARG A 1 9 ? 45.207 0.870 12.767 1.00 14.08 ? 9 ARG A N 1
361
+ ATOM 71 C CA . ARG A 1 9 ? 45.243 -0.438 13.412 1.00 14.69 ? 9 ARG A CA 1
362
+ ATOM 72 C C . ARG A 1 9 ? 46.399 -1.294 12.889 1.00 11.68 ? 9 ARG A C 1
363
+ ATOM 73 O O . ARG A 1 9 ? 47.117 -1.928 13.665 1.00 12.65 ? 9 ARG A O 1
364
+ ATOM 74 C CB . ARG A 1 9 ? 43.909 -1.166 13.223 1.00 18.24 ? 9 ARG A CB 1
365
+ ATOM 75 C CG . ARG A 1 9 ? 42.740 -0.533 13.964 1.00 17.57 ? 9 ARG A CG 1
366
+ ATOM 76 C CD . ARG A 1 9 ? 41.425 -1.249 13.662 1.00 17.44 ? 9 ARG A CD 1
367
+ ATOM 77 N NE . ARG A 1 9 ? 41.443 -2.661 14.035 1.00 21.95 ? 9 ARG A NE 1
368
+ ATOM 78 C CZ . ARG A 1 9 ? 40.422 -3.491 13.855 1.00 24.65 ? 9 ARG A CZ 1
369
+ ATOM 79 N NH1 . ARG A 1 9 ? 39.294 -3.062 13.305 1.00 24.72 ? 9 ARG A NH1 1
370
+ ATOM 80 N NH2 . ARG A 1 9 ? 40.538 -4.762 14.219 1.00 21.79 ? 9 ARG A NH2 1
371
+ ATOM 81 N N . ALA A 1 10 ? 46.580 -1.298 11.571 1.00 9.90 ? 10 ALA A N 1
372
+ ATOM 82 C CA . ALA A 1 10 ? 47.635 -2.091 10.949 1.00 18.91 ? 10 ALA A CA 1
373
+ ATOM 83 C C . ALA A 1 10 ? 49.004 -1.600 11.389 1.00 15.03 ? 10 ALA A C 1
374
+ ATOM 84 O O . ALA A 1 10 ? 49.913 -2.399 11.610 1.00 12.19 ? 10 ALA A O 1
375
+ ATOM 85 C CB . ALA A 1 10 ? 47.519 -2.046 9.432 1.00 15.11 ? 10 ALA A CB 1
376
+ ATOM 86 N N . LYS A 1 11 ? 49.145 -0.286 11.522 1.00 7.37 ? 11 LYS A N 1
377
+ ATOM 87 C CA . LYS A 1 11 ? 50.406 0.296 11.963 1.00 13.14 ? 11 LYS A CA 1
378
+ ATOM 88 C C . LYS A 1 11 ? 50.715 -0.097 13.404 1.00 14.33 ? 11 LYS A C 1
379
+ ATOM 89 O O . LYS A 1 11 ? 51.861 -0.396 13.741 1.00 11.73 ? 11 LYS A O 1
380
+ ATOM 90 C CB . LYS A 1 11 ? 50.379 1.820 11.841 1.00 12.35 ? 11 LYS A CB 1
381
+ ATOM 91 C CG . LYS A 1 11 ? 51.699 2.484 12.209 1.00 22.32 ? 11 LYS A CG 1
382
+ ATOM 92 C CD . LYS A 1 11 ? 51.592 4.001 12.197 1.00 34.72 ? 11 LYS A CD 1
383
+ ATOM 93 C CE . LYS A 1 11 ? 50.919 4.513 13.459 1.00 32.92 ? 11 LYS A CE 1
384
+ ATOM 94 N NZ . LYS A 1 11 ? 51.717 4.180 14.673 1.00 33.62 ? 11 LYS A NZ 1
385
+ ATOM 95 N N . GLN A 1 12 ? 49.688 -0.102 14.249 1.00 12.02 ? 12 GLN A N 1
386
+ ATOM 96 C CA . GLN A 1 12 ? 49.858 -0.447 15.656 1.00 15.49 ? 12 GLN A CA 1
387
+ ATOM 97 C C . GLN A 1 12 ? 50.111 -1.938 15.860 1.00 12.04 ? 12 GLN A C 1
388
+ ATOM 98 O O . GLN A 1 12 ? 50.891 -2.326 16.730 1.00 14.24 ? 12 GLN A O 1
389
+ ATOM 99 C CB . GLN A 1 12 ? 48.640 -0.001 16.468 1.00 18.78 ? 12 GLN A CB 1
390
+ ATOM 100 C CG . GLN A 1 12 ? 48.498 1.509 16.583 1.00 24.78 ? 12 GLN A CG 1
391
+ ATOM 101 C CD . GLN A 1 12 ? 47.297 1.923 17.409 1.00 28.44 ? 12 GLN A CD 1
392
+ ATOM 102 O OE1 . GLN A 1 12 ? 46.545 1.080 17.899 1.00 44.53 ? 12 GLN A OE1 1
393
+ ATOM 103 N NE2 . GLN A 1 12 ? 47.110 3.228 17.567 1.00 16.03 ? 12 GLN A NE2 1
394
+ ATOM 104 N N . VAL A 1 13 ? 49.461 -2.769 15.051 1.00 10.69 ? 13 VAL A N 1
395
+ ATOM 105 C CA . VAL A 1 13 ? 49.692 -4.208 15.090 1.00 12.61 ? 13 VAL A CA 1
396
+ ATOM 106 C C . VAL A 1 13 ? 51.126 -4.472 14.659 1.00 12.43 ? 13 VAL A C 1
397
+ ATOM 107 O O . VAL A 1 13 ? 51.838 -5.279 15.258 1.00 15.82 ? 13 VAL A O 1
398
+ ATOM 108 C CB . VAL A 1 13 ? 48.725 -4.965 14.156 1.00 10.36 ? 13 VAL A CB 1
399
+ ATOM 109 C CG1 . VAL A 1 13 ? 49.204 -6.392 13.923 1.00 13.75 ? 13 VAL A CG1 1
400
+ ATOM 110 C CG2 . VAL A 1 13 ? 47.317 -4.959 14.729 1.00 15.35 ? 13 VAL A CG2 1
401
+ ATOM 111 N N . ALA A 1 14 ? 51.541 -3.763 13.618 1.00 15.19 ? 14 ALA A N 1
402
+ ATOM 112 C CA . ALA A 1 14 ? 52.885 -3.880 13.078 1.00 12.78 ? 14 ALA A CA 1
403
+ ATOM 113 C C . ALA A 1 14 ? 53.942 -3.394 14.064 1.00 12.82 ? 14 ALA A C 1
404
+ ATOM 114 O O . ALA A 1 14 ? 54.966 -4.048 14.259 1.00 10.73 ? 14 ALA A O 1
405
+ ATOM 115 C CB . ALA A 1 14 ? 52.981 -3.093 11.792 1.00 12.26 ? 14 ALA A CB 1
406
+ ATOM 116 N N . LYS A 1 15 ? 53.688 -2.246 14.684 1.00 13.08 ? 15 LYS A N 1
407
+ ATOM 117 C CA . LYS A 1 15 ? 54.650 -1.642 15.598 1.00 13.08 ? 15 LYS A CA 1
408
+ ATOM 118 C C . LYS A 1 15 ? 54.793 -2.444 16.889 1.00 15.11 ? 15 LYS A C 1
409
+ ATOM 119 O O . LYS A 1 15 ? 55.899 -2.612 17.403 1.00 11.88 ? 15 LYS A O 1
410
+ ATOM 120 C CB . LYS A 1 15 ? 54.262 -0.196 15.909 1.00 13.38 ? 15 LYS A CB 1
411
+ ATOM 121 C CG . LYS A 1 15 ? 55.260 0.544 16.783 1.00 18.77 ? 15 LYS A CG 1
412
+ ATOM 122 C CD . LYS A 1 15 ? 54.795 1.964 17.060 1.00 18.67 ? 15 LYS A CD 1
413
+ ATOM 123 C CE . LYS A 1 15 ? 55.714 2.665 18.044 1.00 19.68 ? 15 LYS A CE 1
414
+ ATOM 124 N NZ . LYS A 1 15 ? 55.136 3.956 18.505 1.00 35.90 ? 15 LYS A NZ 1
415
+ ATOM 125 N N . GLU A 1 16 ? 53.673 -2.940 17.405 1.00 12.44 ? 16 GLU A N 1
416
+ ATOM 126 C CA . GLU A 1 16 ? 53.690 -3.772 18.603 1.00 17.90 ? 16 GLU A CA 1
417
+ ATOM 127 C C . GLU A 1 16 ? 54.466 -5.051 18.326 1.00 16.95 ? 16 GLU A C 1
418
+ ATOM 128 O O . GLU A 1 16 ? 55.174 -5.564 19.192 1.00 14.28 ? 16 GLU A O 1
419
+ ATOM 129 C CB . GLU A 1 16 ? 52.267 -4.093 19.065 1.00 16.10 ? 16 GLU A CB 1
420
+ ATOM 130 C CG . GLU A 1 16 ? 52.193 -4.959 20.318 1.00 17.22 ? 16 GLU A CG 1
421
+ ATOM 131 C CD . GLU A 1 16 ? 52.839 -4.307 21.529 1.00 20.04 ? 16 GLU A CD 1
422
+ ATOM 132 O OE1 . GLU A 1 16 ? 52.740 -3.070 21.671 1.00 22.27 ? 16 GLU A OE1 1
423
+ ATOM 133 O OE2 . GLU A 1 16 ? 53.450 -5.035 22.339 1.00 24.17 ? 16 GLU A OE2 1
424
+ ATOM 134 N N . LYS A 1 17 ? 54.323 -5.567 17.105 1.00 10.73 ? 17 LYS A N 1
425
+ ATOM 135 C CA . LYS A 1 17 ? 55.078 -6.730 16.665 1.00 17.12 ? 17 LYS A CA 1
426
+ ATOM 136 C C . LYS A 1 17 ? 56.585 -6.482 16.683 1.00 18.84 ? 17 LYS A C 1
427
+ ATOM 137 O O . LYS A 1 17 ? 57.361 -7.336 17.100 1.00 17.74 ? 17 LYS A O 1
428
+ ATOM 138 C CB . LYS A 1 17 ? 54.637 -7.162 15.265 1.00 20.56 ? 17 LYS A CB 1
429
+ ATOM 139 C CG . LYS A 1 17 ? 55.434 -8.328 14.706 1.00 24.81 ? 17 LYS A CG 1
430
+ ATOM 140 C CD . LYS A 1 17 ? 55.289 -9.565 15.566 1.00 21.94 ? 17 LYS A CD 1
431
+ ATOM 141 C CE . LYS A 1 17 ? 55.641 -10.816 14.787 1.00 26.24 ? 17 LYS A CE 1
432
+ ATOM 142 N NZ . LYS A 1 17 ? 55.759 -12.003 15.675 1.00 35.24 ? 17 LYS A NZ 1
433
+ ATOM 143 N N . ILE A 1 18 ? 56.994 -5.299 16.226 1.00 10.98 ? 18 ILE A N 1
434
+ ATOM 144 C CA . ILE A 1 18 ? 58.408 -4.945 16.209 1.00 15.03 ? 18 ILE A CA 1
435
+ ATOM 145 C C . ILE A 1 18 ? 58.941 -4.686 17.617 1.00 17.93 ? 18 ILE A C 1
436
+ ATOM 146 O O . ILE A 1 18 ? 60.072 -5.058 17.938 1.00 17.62 ? 18 ILE A O 1
437
+ ATOM 147 C CB . ILE A 1 18 ? 58.669 -3.719 15.308 1.00 13.57 ? 18 ILE A CB 1
438
+ ATOM 148 C CG1 . ILE A 1 18 ? 58.148 -3.981 13.894 1.00 19.73 ? 18 ILE A CG1 1
439
+ ATOM 149 C CG2 . ILE A 1 18 ? 60.150 -3.386 15.266 1.00 17.53 ? 18 ILE A CG2 1
440
+ ATOM 150 C CD1 . ILE A 1 18 ? 58.675 -5.257 13.279 1.00 15.94 ? 18 ILE A CD1 1
441
+ ATOM 151 N N . LEU A 1 19 ? 58.121 -4.061 18.457 1.00 20.64 ? 19 LEU A N 1
442
+ ATOM 152 C CA . LEU A 1 19 ? 58.503 -3.776 19.838 1.00 22.53 ? 19 LEU A CA 1
443
+ ATOM 153 C C . LEU A 1 19 ? 58.763 -5.052 20.638 1.00 21.26 ? 19 LEU A C 1
444
+ ATOM 154 O O . LEU A 1 19 ? 59.675 -5.101 21.464 1.00 31.42 ? 19 LEU A O 1
445
+ ATOM 155 C CB . LEU A 1 19 ? 57.426 -2.937 20.531 1.00 13.93 ? 19 LEU A CB 1
446
+ ATOM 156 C CG . LEU A 1 19 ? 57.335 -1.461 20.136 1.00 20.76 ? 19 LEU A CG 1
447
+ ATOM 157 C CD1 . LEU A 1 19 ? 56.052 -0.844 20.674 1.00 21.35 ? 19 LEU A CD1 1
448
+ ATOM 158 C CD2 . LEU A 1 19 ? 58.549 -0.688 20.626 1.00 20.61 ? 19 LEU A CD2 1
449
+ ATOM 159 N N . GLU A 1 20 ? 57.956 -6.078 20.392 1.00 12.02 ? 20 GLU A N 1
450
+ ATOM 160 C CA . GLU A 1 20 ? 58.108 -7.359 21.077 1.00 28.59 ? 20 GLU A CA 1
451
+ ATOM 161 C C . GLU A 1 20 ? 59.414 -8.053 20.701 1.00 23.32 ? 20 GLU A C 1
452
+ ATOM 162 O O . GLU A 1 20 ? 60.096 -8.621 21.554 1.00 27.77 ? 20 GLU A O 1
453
+ ATOM 163 C CB . GLU A 1 20 ? 56.913 -8.272 20.792 1.00 23.90 ? 20 GLU A CB 1
454
+ ATOM 164 C CG . GLU A 1 20 ? 55.627 -7.825 21.469 1.00 38.66 ? 20 GLU A CG 1
455
+ ATOM 165 C CD . GLU A 1 20 ? 54.431 -8.667 21.071 1.00 42.11 ? 20 GLU A CD 1
456
+ ATOM 166 O OE1 . GLU A 1 20 ? 54.555 -9.465 20.119 1.00 45.50 ? 20 GLU A OE1 1
457
+ ATOM 167 O OE2 . GLU A 1 20 ? 53.367 -8.529 21.711 1.00 50.32 ? 20 GLU A OE2 1
458
+ ATOM 168 N N . GLN A 1 21 ? 59.756 -8.003 19.416 1.00 18.29 ? 21 GLN A N 1
459
+ ATOM 169 C CA . GLN A 1 21 ? 60.977 -8.625 18.918 1.00 17.09 ? 21 GLN A CA 1
460
+ ATOM 170 C C . GLN A 1 21 ? 62.207 -7.779 19.235 1.00 21.34 ? 21 GLN A C 1
461
+ ATOM 171 O O . GLN A 1 21 ? 63.337 -8.260 19.164 1.00 22.42 ? 21 GLN A O 1
462
+ ATOM 172 C CB . GLN A 1 21 ? 60.878 -8.860 17.409 1.00 14.07 ? 21 GLN A CB 1
463
+ ATOM 173 C CG . GLN A 1 21 ? 59.809 -9.860 17.003 1.00 22.16 ? 21 GLN A CG 1
464
+ ATOM 174 C CD . GLN A 1 21 ? 59.795 -10.121 15.510 1.00 25.16 ? 21 GLN A CD 1
465
+ ATOM 175 O OE1 . GLN A 1 21 ? 60.425 -9.399 14.736 1.00 22.46 ? 21 GLN A OE1 1
466
+ ATOM 176 N NE2 . GLN A 1 21 ? 59.076 -11.158 15.096 1.00 23.83 ? 21 GLN A NE2 1
467
+ ATOM 177 N N . ASN A 1 22 ? 61.981 -6.516 19.583 1.00 20.93 ? 22 ASN A N 1
468
+ ATOM 178 C CA . ASN A 1 22 ? 63.072 -5.604 19.907 1.00 22.28 ? 22 ASN A CA 1
469
+ ATOM 179 C C . ASN A 1 22 ? 62.775 -4.808 21.175 1.00 30.47 ? 22 ASN A C 1
470
+ ATOM 180 O O . ASN A 1 22 ? 62.407 -3.637 21.109 1.00 44.13 ? 22 ASN A O 1
471
+ ATOM 181 C CB . ASN A 1 22 ? 63.341 -4.657 18.736 1.00 27.08 ? 22 ASN A CB 1
472
+ ATOM 182 C CG . ASN A 1 22 ? 63.684 -5.397 17.456 1.00 27.04 ? 22 ASN A CG 1
473
+ ATOM 183 O OD1 . ASN A 1 22 ? 64.852 -5.663 17.173 1.00 21.70 ? 22 ASN A OD1 1
474
+ ATOM 184 N ND2 . ASN A 1 22 ? 62.663 -5.741 16.679 1.00 11.85 ? 22 ASN A ND2 1
475
+ ATOM 185 N N . PRO A 1 23 ? 62.939 -5.463 22.342 1.00 25.10 ? 23 PRO A N 1
476
+ ATOM 186 C CA . PRO A 1 23 ? 62.573 -4.912 23.656 1.00 35.12 ? 23 PRO A CA 1
477
+ ATOM 187 C C . PRO A 1 23 ? 63.259 -3.599 24.012 1.00 47.04 ? 23 PRO A C 1
478
+ ATOM 188 O O . PRO A 1 23 ? 62.581 -2.632 24.361 1.00 55.86 ? 23 PRO A O 1
479
+ ATOM 189 C CB . PRO A 1 23 ? 63.008 -6.022 24.626 1.00 39.70 ? 23 PRO A CB 1
480
+ ATOM 190 C CG . PRO A 1 23 ? 64.016 -6.820 23.879 1.00 44.25 ? 23 PRO A CG 1
481
+ ATOM 191 C CD . PRO A 1 23 ? 63.565 -6.783 22.453 1.00 32.20 ? 23 PRO A CD 1
482
+ ATOM 192 N N . SER A 1 24 ? 64.583 -3.559 23.925 1.00 36.64 ? 24 SER A N 1
483
+ ATOM 193 C CA . SER A 1 24 ? 65.325 -2.363 24.296 1.00 45.82 ? 24 SER A CA 1
484
+ ATOM 194 C C . SER A 1 24 ? 65.522 -1.459 23.088 1.00 61.39 ? 24 SER A C 1
485
+ ATOM 195 O O . SER A 1 24 ? 66.646 -1.048 22.794 1.00 69.10 ? 24 SER A O 1
486
+ ATOM 196 C CB . SER A 1 24 ? 66.679 -2.743 24.897 1.00 52.54 ? 24 SER A CB 1
487
+ ATOM 197 O OG . SER A 1 24 ? 67.576 -3.190 23.894 1.00 57.23 ? 24 SER A OG 1
488
+ ATOM 198 N N . SER A 1 25 ? 64.435 -1.149 22.396 1.00 50.50 ? 25 SER A N 1
489
+ ATOM 199 C CA . SER A 1 25 ? 64.533 -0.385 21.159 1.00 39.54 ? 25 SER A CA 1
490
+ ATOM 200 C C . SER A 1 25 ? 63.439 0.661 21.003 1.00 45.41 ? 25 SER A C 1
491
+ ATOM 201 O O . SER A 1 25 ? 62.302 0.462 21.427 1.00 40.18 ? 25 SER A O 1
492
+ ATOM 202 C CB . SER A 1 25 ? 64.516 -1.337 19.960 1.00 35.17 ? 25 SER A CB 1
493
+ ATOM 203 O OG . SER A 1 25 ? 64.307 -0.632 18.752 1.00 49.93 ? 25 SER A OG 1
494
+ ATOM 204 N N . LYS A 1 26 ? 63.804 1.786 20.389 1.00 37.69 ? 26 LYS A N 1
495
+ ATOM 205 C CA . LYS A 1 26 ? 62.843 2.810 19.997 1.00 39.81 ? 26 LYS A CA 1
496
+ ATOM 206 C C . LYS A 1 26 ? 62.468 2.651 18.530 1.00 31.56 ? 26 LYS A C 1
497
+ ATOM 207 O O . LYS A 1 26 ? 63.322 2.730 17.649 1.00 31.55 ? 26 LYS A O 1
498
+ ATOM 208 C CB . LYS A 1 26 ? 63.368 4.221 20.285 1.00 49.24 ? 26 LYS A CB 1
499
+ ATOM 209 C CG . LYS A 1 26 ? 63.106 4.721 21.711 1.00 46.68 ? 26 LYS A CG 1
500
+ ATOM 210 C CD . LYS A 1 26 ? 63.644 3.792 22.783 1.00 52.82 ? 26 LYS A CD 1
501
+ ATOM 211 C CE . LYS A 1 26 ? 63.103 4.167 24.150 1.00 53.20 ? 26 LYS A CE 1
502
+ ATOM 212 N NZ . LYS A 1 26 ? 63.654 3.291 25.225 1.00 58.78 ? 26 LYS A NZ 1
503
+ ATOM 213 N N . VAL A 1 27 ? 61.182 2.438 18.277 1.00 27.27 ? 27 VAL A N 1
504
+ ATOM 214 C CA . VAL A 1 27 ? 60.702 2.125 16.939 1.00 24.63 ? 27 VAL A CA 1
505
+ ATOM 215 C C . VAL A 1 27 ? 59.864 3.263 16.368 1.00 30.73 ? 27 VAL A C 1
506
+ ATOM 216 O O . VAL A 1 27 ? 58.869 3.672 16.965 1.00 36.63 ? 27 VAL A O 1
507
+ ATOM 217 C CB . VAL A 1 27 ? 59.851 0.845 16.943 1.00 21.02 ? 27 VAL A CB 1
508
+ ATOM 218 C CG1 . VAL A 1 27 ? 59.410 0.509 15.535 1.00 26.88 ? 27 VAL A CG1 1
509
+ ATOM 219 C CG2 . VAL A 1 27 ? 60.631 -0.312 17.552 1.00 19.70 ? 27 VAL A CG2 1
510
+ ATOM 220 N N . GLN A 1 28 ? 60.272 3.772 15.210 1.00 21.37 ? 28 GLN A N 1
511
+ ATOM 221 C CA . GLN A 1 28 ? 59.507 4.812 14.532 1.00 27.91 ? 28 GLN A CA 1
512
+ ATOM 222 C C . GLN A 1 28 ? 58.923 4.292 13.220 1.00 23.08 ? 28 GLN A C 1
513
+ ATOM 223 O O . GLN A 1 28 ? 59.565 3.530 12.498 1.00 16.60 ? 28 GLN A O 1
514
+ ATOM 224 C CB . GLN A 1 28 ? 60.372 6.054 14.286 1.00 32.93 ? 28 GLN A CB 1
515
+ ATOM 225 C CG . GLN A 1 28 ? 61.454 5.875 13.230 1.00 34.47 ? 28 GLN A CG 1
516
+ ATOM 226 C CD . GLN A 1 28 ? 61.846 7.180 12.562 1.00 41.00 ? 28 GLN A CD 1
517
+ ATOM 227 O OE1 . GLN A 1 28 ? 61.272 8.232 12.842 1.00 54.61 ? 28 GLN A OE1 1
518
+ ATOM 228 N NE2 . GLN A 1 28 ? 62.827 7.115 11.669 1.00 40.06 ? 28 GLN A NE2 1
519
+ ATOM 229 N N . VAL A 1 29 ? 57.693 4.702 12.928 1.00 25.60 ? 29 VAL A N 1
520
+ ATOM 230 C CA . VAL A 1 29 ? 57.030 4.325 11.686 1.00 19.10 ? 29 VAL A CA 1
521
+ ATOM 231 C C . VAL A 1 29 ? 57.184 5.443 10.666 1.00 16.98 ? 29 VAL A C 1
522
+ ATOM 232 O O . VAL A 1 29 ? 56.836 6.591 10.938 1.00 23.11 ? 29 VAL A O 1
523
+ ATOM 233 C CB . VAL A 1 29 ? 55.532 4.048 11.907 1.00 22.80 ? 29 VAL A CB 1
524
+ ATOM 234 C CG1 . VAL A 1 29 ? 54.862 3.674 10.594 1.00 20.60 ? 29 VAL A CG1 1
525
+ ATOM 235 C CG2 . VAL A 1 29 ? 55.343 2.947 12.938 1.00 21.68 ? 29 VAL A CG2 1
526
+ ATOM 236 N N . ARG A 1 30 ? 57.701 5.106 9.489 1.00 20.16 ? 30 ARG A N 1
527
+ ATOM 237 C CA . ARG A 1 30 ? 57.997 6.122 8.487 1.00 18.01 ? 30 ARG A CA 1
528
+ ATOM 238 C C . ARG A 1 30 ? 56.947 6.217 7.388 1.00 11.26 ? 30 ARG A C 1
529
+ ATOM 239 O O . ARG A 1 30 ? 56.731 7.291 6.827 1.00 16.09 ? 30 ARG A O 1
530
+ ATOM 240 C CB . ARG A 1 30 ? 59.376 5.888 7.869 1.00 22.14 ? 30 ARG A CB 1
531
+ ATOM 241 C CG . ARG A 1 30 ? 60.523 6.064 8.844 1.00 26.59 ? 30 ARG A CG 1
532
+ ATOM 242 C CD . ARG A 1 30 ? 61.852 6.109 8.114 1.00 30.41 ? 30 ARG A CD 1
533
+ ATOM 243 N NE . ARG A 1 30 ? 61.925 7.222 7.170 1.00 41.16 ? 30 ARG A NE 1
534
+ ATOM 244 C CZ . ARG A 1 30 ? 62.309 8.453 7.494 1.00 44.94 ? 30 ARG A CZ 1
535
+ ATOM 245 N NH1 . ARG A 1 30 ? 62.656 8.736 8.743 1.00 39.49 ? 30 ARG A NH1 1
536
+ ATOM 246 N NH2 . ARG A 1 30 ? 62.346 9.404 6.570 1.00 37.67 ? 30 ARG A NH2 1
537
+ ATOM 247 N N . ARG A 1 31 ? 56.298 5.102 7.078 1.00 13.70 ? 31 ARG A N 1
538
+ ATOM 248 C CA . ARG A 1 31 ? 55.268 5.113 6.047 1.00 12.44 ? 31 ARG A CA 1
539
+ ATOM 249 C C . ARG A 1 31 ? 54.285 3.960 6.191 1.00 15.13 ? 31 ARG A C 1
540
+ ATOM 250 O O . ARG A 1 31 ? 54.668 2.828 6.487 1.00 12.62 ? 31 ARG A O 1
541
+ ATOM 251 C CB . ARG A 1 31 ? 55.888 5.115 4.647 1.00 21.41 ? 31 ARG A CB 1
542
+ ATOM 252 C CG . ARG A 1 31 ? 54.959 5.664 3.574 1.00 23.25 ? 31 ARG A CG 1
543
+ ATOM 253 C CD . ARG A 1 31 ? 55.631 5.697 2.213 1.00 32.65 ? 31 ARG A CD 1
544
+ ATOM 254 N NE . ARG A 1 31 ? 55.444 4.453 1.475 1.00 43.20 ? 31 ARG A NE 1
545
+ ATOM 255 C CZ . ARG A 1 31 ? 54.464 4.247 0.601 1.00 46.61 ? 31 ARG A CZ 1
546
+ ATOM 256 N NH1 . ARG A 1 31 ? 53.581 5.205 0.354 1.00 44.06 ? 31 ARG A NH1 1
547
+ ATOM 257 N NH2 . ARG A 1 31 ? 54.367 3.084 -0.028 1.00 50.78 ? 31 ARG A NH2 1
548
+ ATOM 258 N N . VAL A 1 32 ? 53.011 4.267 5.984 1.00 22.93 ? 32 VAL A N 1
549
+ ATOM 259 C CA . VAL A 1 32 ? 51.969 3.255 5.966 1.00 21.15 ? 32 VAL A CA 1
550
+ ATOM 260 C C . VAL A 1 32 ? 51.259 3.316 4.622 1.00 18.72 ? 32 VAL A C 1
551
+ ATOM 261 O O . VAL A 1 32 ? 50.811 4.379 4.194 1.00 23.67 ? 32 VAL A O 1
552
+ ATOM 262 C CB . VAL A 1 32 ? 50.950 3.476 7.099 1.00 14.14 ? 32 VAL A CB 1
553
+ ATOM 263 C CG1 . VAL A 1 32 ? 49.860 2.419 7.048 1.00 14.48 ? 32 VAL A CG1 1
554
+ ATOM 264 C CG2 . VAL A 1 32 ? 51.651 3.466 8.451 1.00 17.16 ? 32 VAL A CG2 1
555
+ ATOM 265 N N . GLN A 1 33 ? 51.161 2.171 3.957 1.00 16.15 ? 33 GLN A N 1
556
+ ATOM 266 C CA . GLN A 1 33 ? 50.555 2.108 2.635 1.00 15.51 ? 33 GLN A CA 1
557
+ ATOM 267 C C . GLN A 1 33 ? 49.575 0.949 2.525 1.00 16.36 ? 33 GLN A C 1
558
+ ATOM 268 O O . GLN A 1 33 ? 49.872 -0.170 2.940 1.00 14.27 ? 33 GLN A O 1
559
+ ATOM 269 C CB . GLN A 1 33 ? 51.626 1.979 1.553 1.00 17.78 ? 33 GLN A CB 1
560
+ ATOM 270 C CG . GLN A 1 33 ? 51.057 1.907 0.146 1.00 39.98 ? 33 GLN A CG 1
561
+ ATOM 271 C CD . GLN A 1 33 ? 51.903 1.062 -0.781 1.00 37.61 ? 33 GLN A CD 1
562
+ ATOM 272 O OE1 . GLN A 1 33 ? 53.095 0.870 -0.548 1.00 53.50 ? 33 GLN A OE1 1
563
+ ATOM 273 N NE2 . GLN A 1 33 ? 51.287 0.541 -1.835 1.00 33.87 ? 33 GLN A NE2 1
564
+ ATOM 274 N N . LYS A 1 34 ? 48.409 1.224 1.954 1.00 18.95 ? 34 LYS A N 1
565
+ ATOM 275 C CA . LYS A 1 34 ? 47.359 0.223 1.841 1.00 19.34 ? 34 LYS A CA 1
566
+ ATOM 276 C C . LYS A 1 34 ? 47.118 -0.172 0.391 1.00 16.32 ? 34 LYS A C 1
567
+ ATOM 277 O O . LYS A 1 34 ? 47.006 0.680 -0.489 1.00 10.27 ? 34 LYS A O 1
568
+ ATOM 278 C CB . LYS A 1 34 ? 46.061 0.736 2.462 1.00 22.06 ? 34 LYS A CB 1
569
+ ATOM 279 C CG . LYS A 1 34 ? 44.922 -0.265 2.420 1.00 24.92 ? 34 LYS A CG 1
570
+ ATOM 280 C CD . LYS A 1 34 ? 43.683 0.290 3.093 1.00 26.35 ? 34 LYS A CD 1
571
+ ATOM 281 C CE . LYS A 1 34 ? 42.554 -0.714 3.073 1.00 28.10 ? 34 LYS A CE 1
572
+ ATOM 282 N NZ . LYS A 1 34 ? 42.023 -0.923 1.697 1.00 37.28 ? 34 LYS A NZ 1
573
+ ATOM 283 N N . GLN A 1 35 ? 47.040 -1.478 0.160 1.00 20.70 ? 35 GLN A N 1
574
+ ATOM 284 C CA . GLN A 1 35 ? 46.752 -2.025 -1.158 1.00 21.48 ? 35 GLN A CA 1
575
+ ATOM 285 C C . GLN A 1 35 ? 45.739 -3.155 -1.012 1.00 18.09 ? 35 GLN A C 1
576
+ ATOM 286 O O . GLN A 1 35 ? 46.106 -4.299 -0.750 1.00 17.92 ? 35 GLN A O 1
577
+ ATOM 287 C CB . GLN A 1 35 ? 48.034 -2.550 -1.806 1.00 23.99 ? 35 GLN A CB 1
578
+ ATOM 288 C CG . GLN A 1 35 ? 47.850 -3.082 -3.216 1.00 25.06 ? 35 GLN A CG 1
579
+ ATOM 289 C CD . GLN A 1 35 ? 49.069 -3.827 -3.724 1.00 30.48 ? 35 GLN A CD 1
580
+ ATOM 290 O OE1 . GLN A 1 35 ? 50.008 -4.091 -2.973 1.00 37.06 ? 35 GLN A OE1 1
581
+ ATOM 291 N NE2 . GLN A 1 35 ? 49.059 -4.173 -5.007 1.00 22.43 ? 35 GLN A NE2 1
582
+ ATOM 292 N N . GLY A 1 36 ? 44.462 -2.823 -1.171 1.00 18.05 ? 36 GLY A N 1
583
+ ATOM 293 C CA . GLY A 1 36 ? 43.395 -3.792 -0.995 1.00 21.03 ? 36 GLY A CA 1
584
+ ATOM 294 C C . GLY A 1 36 ? 43.190 -4.096 0.476 1.00 25.96 ? 36 GLY A C 1
585
+ ATOM 295 O O . GLY A 1 36 ? 42.935 -3.193 1.268 1.00 29.70 ? 36 GLY A O 1
586
+ ATOM 296 N N . ASN A 1 37 ? 43.304 -5.367 0.845 1.00 21.31 ? 37 ASN A N 1
587
+ ATOM 297 C CA . ASN A 1 37 ? 43.216 -5.758 2.248 1.00 22.32 ? 37 ASN A CA 1
588
+ ATOM 298 C C . ASN A 1 37 ? 44.600 -5.956 2.858 1.00 24.08 ? 37 ASN A C 1
589
+ ATOM 299 O O . ASN A 1 37 ? 44.737 -6.462 3.972 1.00 16.42 ? 37 ASN A O 1
590
+ ATOM 300 C CB . ASN A 1 37 ? 42.366 -7.019 2.418 1.00 18.53 ? 37 ASN A CB 1
591
+ ATOM 301 C CG . ASN A 1 37 ? 40.902 -6.782 2.095 1.00 30.99 ? 37 ASN A CG 1
592
+ ATOM 302 O OD1 . ASN A 1 37 ? 40.377 -5.689 2.306 1.00 43.76 ? 37 ASN A OD1 1
593
+ ATOM 303 N ND2 . ASN A 1 37 ? 40.236 -7.811 1.584 1.00 29.18 ? 37 ASN A ND2 1
594
+ ATOM 304 N N . THR A 1 38 ? 45.626 -5.560 2.111 1.00 21.10 ? 38 THR A N 1
595
+ ATOM 305 C CA . THR A 1 38 ? 47.002 -5.679 2.573 1.00 21.20 ? 38 THR A CA 1
596
+ ATOM 306 C C . THR A 1 38 ? 47.589 -4.302 2.862 1.00 22.77 ? 38 THR A C 1
597
+ ATOM 307 O O . THR A 1 38 ? 47.539 -3.409 2.018 1.00 14.04 ? 38 THR A O 1
598
+ ATOM 308 C CB . THR A 1 38 ? 47.879 -6.389 1.524 1.00 27.68 ? 38 THR A CB 1
599
+ ATOM 309 O OG1 . THR A 1 38 ? 47.451 -7.749 1.381 1.00 45.20 ? 38 THR A OG1 1
600
+ ATOM 310 C CG2 . THR A 1 38 ? 49.344 -6.357 1.933 1.00 22.24 ? 38 THR A CG2 1
601
+ ATOM 311 N N . ILE A 1 39 ? 48.142 -4.132 4.058 1.00 17.80 ? 39 ILE A N 1
602
+ ATOM 312 C CA . ILE A 1 39 ? 48.776 -2.871 4.425 1.00 19.47 ? 39 ILE A CA 1
603
+ ATOM 313 C C . ILE A 1 39 ? 50.262 -3.049 4.730 1.00 11.46 ? 39 ILE A C 1
604
+ ATOM 314 O O . ILE A 1 39 ? 50.655 -3.924 5.502 1.00 13.43 ? 39 ILE A O 1
605
+ ATOM 315 C CB . ILE A 1 39 ? 48.063 -2.203 5.618 1.00 14.16 ? 39 ILE A CB 1
606
+ ATOM 316 C CG1 . ILE A 1 39 ? 46.554 -2.152 5.367 1.00 14.60 ? 39 ILE A CG1 1
607
+ ATOM 317 C CG2 . ILE A 1 39 ? 48.595 -0.797 5.840 1.00 12.40 ? 39 ILE A CG2 1
608
+ ATOM 318 C CD1 . ILE A 1 39 ? 45.794 -1.281 6.338 1.00 17.15 ? 39 ILE A CD1 1
609
+ ATOM 319 N N . ARG A 1 40 ? 51.082 -2.203 4.116 1.00 11.02 ? 40 ARG A N 1
610
+ ATOM 320 C CA . ARG A 1 40 ? 52.528 -2.270 4.276 1.00 13.88 ? 40 ARG A CA 1
611
+ ATOM 321 C C . ARG A 1 40 ? 53.029 -1.157 5.186 1.00 12.89 ? 40 ARG A C 1
612
+ ATOM 322 O O . ARG A 1 40 ? 52.836 0.024 4.902 1.00 12.55 ? 40 ARG A O 1
613
+ ATOM 323 C CB . ARG A 1 40 ? 53.227 -2.201 2.917 1.00 16.81 ? 40 ARG A CB 1
614
+ ATOM 324 C CG . ARG A 1 40 ? 53.001 -3.420 2.038 1.00 27.86 ? 40 ARG A CG 1
615
+ ATOM 325 C CD . ARG A 1 40 ? 53.752 -3.296 0.723 1.00 32.62 ? 40 ARG A CD 1
616
+ ATOM 326 N NE . ARG A 1 40 ? 53.638 -4.502 -0.092 1.00 39.80 ? 40 ARG A NE 1
617
+ ATOM 327 C CZ . ARG A 1 40 ? 52.686 -4.706 -0.996 1.00 53.12 ? 40 ARG A CZ 1
618
+ ATOM 328 N NH1 . ARG A 1 40 ? 51.758 -3.782 -1.205 1.00 40.03 ? 40 ARG A NH1 1
619
+ ATOM 329 N NH2 . ARG A 1 40 ? 52.660 -5.835 -1.692 1.00 49.75 ? 40 ARG A NH2 1
620
+ ATOM 330 N N . VAL A 1 41 ? 53.665 -1.544 6.287 1.00 9.53 ? 41 VAL A N 1
621
+ ATOM 331 C CA . VAL A 1 41 ? 54.165 -0.582 7.260 1.00 11.36 ? 41 VAL A CA 1
622
+ ATOM 332 C C . VAL A 1 41 ? 55.689 -0.607 7.302 1.00 12.46 ? 41 VAL A C 1
623
+ ATOM 333 O O . VAL A 1 41 ? 56.301 -1.642 7.567 1.00 10.76 ? 41 VAL A O 1
624
+ ATOM 334 C CB . VAL A 1 41 ? 53.612 -0.864 8.668 1.00 16.45 ? 41 VAL A CB 1
625
+ ATOM 335 C CG1 . VAL A 1 41 ? 54.093 0.195 9.646 1.00 6.95 ? 41 VAL A CG1 1
626
+ ATOM 336 C CG2 . VAL A 1 41 ? 52.093 -0.923 8.639 1.00 9.34 ? 41 VAL A CG2 1
627
+ ATOM 337 N N . GLU A 1 42 ? 56.292 0.544 7.025 1.00 14.96 ? 42 GLU A N 1
628
+ ATOM 338 C CA . GLU A 1 42 ? 57.740 0.685 7.033 1.00 15.29 ? 42 GLU A CA 1
629
+ ATOM 339 C C . GLU A 1 42 ? 58.195 1.299 8.352 1.00 11.07 ? 42 GLU A C 1
630
+ ATOM 340 O O . GLU A 1 42 ? 57.741 2.378 8.732 1.00 15.45 ? 42 GLU A O 1
631
+ ATOM 341 C CB . GLU A 1 42 ? 58.171 1.570 5.864 1.00 11.66 ? 42 GLU A CB 1
632
+ ATOM 342 C CG . GLU A 1 42 ? 57.788 1.005 4.505 1.00 24.83 ? 42 GLU A CG 1
633
+ ATOM 343 C CD . GLU A 1 42 ? 58.108 1.950 3.365 1.00 43.69 ? 42 GLU A CD 1
634
+ ATOM 344 O OE1 . GLU A 1 42 ? 59.067 2.740 3.492 1.00 41.20 ? 42 GLU A OE1 1
635
+ ATOM 345 O OE2 . GLU A 1 42 ? 57.385 1.916 2.346 1.00 39.41 ? 42 GLU A OE2 1
636
+ ATOM 346 N N . LEU A 1 43 ? 59.096 0.611 9.048 1.00 13.91 ? 43 LEU A N 1
637
+ ATOM 347 C CA . LEU A 1 43 ? 59.596 1.094 10.330 1.00 15.06 ? 43 LEU A CA 1
638
+ ATOM 348 C C . LEU A 1 43 ? 61.117 1.116 10.323 1.00 14.78 ? 43 LEU A C 1
639
+ ATOM 349 O O . LEU A 1 43 ? 61.758 0.362 9.592 1.00 13.95 ? 43 LEU A O 1
640
+ ATOM 350 C CB . LEU A 1 43 ? 59.090 0.219 11.484 1.00 12.11 ? 43 LEU A CB 1
641
+ ATOM 351 C CG . LEU A 1 43 ? 57.589 -0.074 11.546 1.00 11.51 ? 43 LEU A CG 1
642
+ ATOM 352 C CD1 . LEU A 1 43 ? 57.298 -1.323 10.761 1.00 8.56 ? 43 LEU A CD1 1
643
+ ATOM 353 C CD2 . LEU A 1 43 ? 57.108 -0.238 12.975 1.00 15.40 ? 43 LEU A CD2 1
644
+ ATOM 354 N N . GLU A 1 44 ? 61.691 1.992 11.150 1.00 23.39 ? 44 GLU A N 1
645
+ ATOM 355 C CA . GLU A 1 44 ? 63.138 2.120 11.250 1.00 20.10 ? 44 GLU A CA 1
646
+ ATOM 356 C C . GLU A 1 44 ? 63.600 2.059 12.702 1.00 21.79 ? 44 GLU A C 1
647
+ ATOM 357 O O . GLU A 1 44 ? 63.018 2.689 13.580 1.00 24.55 ? 44 GLU A O 1
648
+ ATOM 358 C CB . GLU A 1 44 ? 63.601 3.432 10.607 1.00 20.27 ? 44 GLU A CB 1
649
+ ATOM 359 C CG . GLU A 1 44 ? 65.112 3.641 10.628 1.00 34.09 ? 44 GLU A CG 1
650
+ ATOM 360 C CD . GLU A 1 44 ? 65.554 4.835 9.805 1.00 41.11 ? 44 GLU A CD 1
651
+ ATOM 361 O OE1 . GLU A 1 44 ? 64.712 5.396 9.078 1.00 47.28 ? 44 GLU A OE1 1
652
+ ATOM 362 O OE2 . GLU A 1 44 ? 66.740 5.212 9.885 1.00 53.78 ? 44 GLU A OE2 1
653
+ ATOM 363 N N . ILE A 1 45 ? 64.661 1.289 12.940 1.00 38.86 ? 45 ILE A N 1
654
+ ATOM 364 C CA . ILE A 1 45 ? 65.290 1.200 14.253 1.00 31.32 ? 45 ILE A CA 1
655
+ ATOM 365 C C . ILE A 1 45 ? 66.724 1.722 14.194 1.00 30.92 ? 45 ILE A C 1
656
+ ATOM 366 O O . ILE A 1 45 ? 67.481 1.381 13.286 1.00 44.07 ? 45 ILE A O 1
657
+ ATOM 367 C CB . ILE A 1 45 ? 65.290 -0.251 14.785 1.00 24.35 ? 45 ILE A CB 1
658
+ ATOM 368 C CG1 . ILE A 1 45 ? 63.860 -0.780 14.909 1.00 22.64 ? 45 ILE A CG1 1
659
+ ATOM 369 C CG2 . ILE A 1 45 ? 65.986 -0.342 16.133 1.00 35.22 ? 45 ILE A CG2 1
660
+ ATOM 370 C CD1 . ILE A 1 45 ? 63.773 -2.149 15.538 1.00 34.33 ? 45 ILE A CD1 1
661
+ ATOM 371 N N . THR A 1 46 ? 67.095 2.550 15.169 1.00 32.51 ? 46 THR A N 1
662
+ ATOM 372 C CA . THR A 1 46 ? 68.449 3.089 15.239 1.00 38.74 ? 46 THR A CA 1
663
+ ATOM 373 C C . THR A 1 46 ? 69.003 2.949 16.651 1.00 42.99 ? 46 THR A C 1
664
+ ATOM 374 O O . THR A 1 46 ? 68.718 3.752 17.536 1.00 68.14 ? 46 THR A O 1
665
+ ATOM 375 C CB . THR A 1 46 ? 68.510 4.572 14.814 1.00 45.68 ? 46 THR A CB 1
666
+ ATOM 376 O OG1 . THR A 1 46 ? 68.079 4.698 13.454 1.00 43.78 ? 46 THR A OG1 1
667
+ ATOM 377 C CG2 . THR A 1 46 ? 69.935 5.105 14.936 1.00 32.41 ? 46 THR A CG2 1
668
+ ATOM 378 N N . GLU A 1 47 ? 69.800 1.900 16.853 1.00 50.86 ? 47 GLU A N 1
669
+ ATOM 379 C CA . GLU A 1 47 ? 70.365 1.593 18.159 1.00 54.88 ? 47 GLU A CA 1
670
+ ATOM 380 C C . GLU A 1 47 ? 71.730 0.924 18.019 1.00 53.93 ? 47 GLU A C 1
671
+ ATOM 381 O O . GLU A 1 47 ? 71.967 0.177 17.067 1.00 41.27 ? 47 GLU A O 1
672
+ ATOM 382 C CB . GLU A 1 47 ? 69.431 0.699 18.978 1.00 50.76 ? 47 GLU A CB 1
673
+ ATOM 383 C CG . GLU A 1 47 ? 69.165 -0.660 18.354 1.00 46.71 ? 47 GLU A CG 1
674
+ ATOM 384 C CD . GLU A 1 47 ? 68.171 -1.483 19.152 1.00 57.30 ? 47 GLU A CD 1
675
+ ATOM 385 O OE1 . GLU A 1 47 ? 67.746 -1.021 20.230 1.00 57.79 ? 47 GLU A OE1 1
676
+ ATOM 386 O OE2 . GLU A 1 47 ? 67.812 -2.590 18.697 1.00 69.29 ? 47 GLU A OE2 1
677
+ ATOM 387 N N . ASN A 1 48 ? 72.619 1.209 18.964 1.00 51.25 ? 48 ASN A N 1
678
+ ATOM 388 C CA . ASN A 1 48 ? 73.941 0.583 19.031 1.00 42.23 ? 48 ASN A CA 1
679
+ ATOM 389 C C . ASN A 1 48 ? 74.746 0.734 17.743 1.00 48.56 ? 48 ASN A C 1
680
+ ATOM 390 O O . ASN A 1 48 ? 75.388 -0.210 17.283 1.00 39.64 ? 48 ASN A O 1
681
+ ATOM 391 C CB . ASN A 1 48 ? 73.805 -0.903 19.380 1.00 54.12 ? 48 ASN A CB 1
682
+ ATOM 392 C CG . ASN A 1 48 ? 72.898 -1.140 20.565 1.00 52.72 ? 48 ASN A CG 1
683
+ ATOM 393 O OD1 . ASN A 1 48 ? 72.157 -0.251 20.990 1.00 64.05 ? 48 ASN A OD1 1
684
+ ATOM 394 N ND2 . ASN A 1 48 ? 72.932 -2.351 21.110 1.00 53.66 ? 48 ASN A ND2 1
685
+ ATOM 395 N N . GLY A 1 49 ? 74.708 1.934 17.170 1.00 47.38 ? 49 GLY A N 1
686
+ ATOM 396 C CA . GLY A 1 49 ? 75.456 2.235 15.964 1.00 42.76 ? 49 GLY A CA 1
687
+ ATOM 397 C C . GLY A 1 49 ? 74.998 1.475 14.734 1.00 48.25 ? 49 GLY A C 1
688
+ ATOM 398 O O . GLY A 1 49 ? 75.754 1.332 13.773 1.00 53.74 ? 49 GLY A O 1
689
+ ATOM 399 N N . LYS A 1 50 ? 73.764 0.982 14.759 1.00 39.00 ? 50 LYS A N 1
690
+ ATOM 400 C CA . LYS A 1 50 ? 73.203 0.278 13.610 1.00 34.19 ? 50 LYS A CA 1
691
+ ATOM 401 C C . LYS A 1 50 ? 71.857 0.857 13.181 1.00 30.49 ? 50 LYS A C 1
692
+ ATOM 402 O O . LYS A 1 50 ? 71.107 1.387 13.999 1.00 27.56 ? 50 LYS A O 1
693
+ ATOM 403 C CB . LYS A 1 50 ? 73.084 -1.224 13.886 1.00 35.40 ? 50 LYS A CB 1
694
+ ATOM 404 C CG . LYS A 1 50 ? 74.420 -1.924 14.078 1.00 46.16 ? 50 LYS A CG 1
695
+ ATOM 405 C CD . LYS A 1 50 ? 74.245 -3.420 14.289 1.00 46.53 ? 50 LYS A CD 1
696
+ ATOM 406 C CE . LYS A 1 50 ? 75.592 -4.125 14.352 1.00 47.08 ? 50 LYS A CE 1
697
+ ATOM 407 N NZ . LYS A 1 50 ? 75.448 -5.586 14.593 1.00 42.94 ? 50 LYS A NZ 1
698
+ ATOM 408 N N . LYS A 1 51 ? 71.562 0.747 11.890 1.00 36.49 ? 51 LYS A N 1
699
+ ATOM 409 C CA . LYS A 1 51 ? 70.303 1.228 11.339 1.00 29.94 ? 51 LYS A CA 1
700
+ ATOM 410 C C . LYS A 1 51 ? 69.587 0.109 10.592 1.00 25.15 ? 51 LYS A C 1
701
+ ATOM 411 O O . LYS A 1 51 ? 70.083 -0.396 9.585 1.00 28.61 ? 51 LYS A O 1
702
+ ATOM 412 C CB . LYS A 1 51 ? 70.566 2.409 10.401 1.00 24.90 ? 51 LYS A CB 1
703
+ ATOM 413 C CG . LYS A 1 51 ? 69.355 2.891 9.622 1.00 31.35 ? 51 LYS A CG 1
704
+ ATOM 414 C CD . LYS A 1 51 ? 69.729 4.053 8.714 1.00 47.01 ? 51 LYS A CD 1
705
+ ATOM 415 C CE . LYS A 1 51 ? 68.758 4.187 7.554 1.00 45.60 ? 51 LYS A CE 1
706
+ ATOM 416 N NZ . LYS A 1 51 ? 68.843 3.018 6.636 1.00 42.91 ? 51 LYS A NZ 1
707
+ ATOM 417 N N . THR A 1 52 ? 68.420 -0.277 11.095 1.00 24.48 ? 52 THR A N 1
708
+ ATOM 418 C CA . THR A 1 52 ? 67.665 -1.388 10.524 1.00 23.99 ? 52 THR A CA 1
709
+ ATOM 419 C C . THR A 1 52 ? 66.337 -0.932 9.930 1.00 20.36 ? 52 THR A C 1
710
+ ATOM 420 O O . THR A 1 52 ? 65.480 -0.404 10.638 1.00 13.58 ? 52 THR A O 1
711
+ ATOM 421 C CB . THR A 1 52 ? 67.408 -2.500 11.559 1.00 20.39 ? 52 THR A CB 1
712
+ ATOM 422 O OG1 . THR A 1 52 ? 66.650 -1.974 12.651 1.00 44.40 ? 52 THR A OG1 1
713
+ ATOM 423 C CG2 . THR A 1 52 ? 68.718 -3.051 12.086 1.00 16.52 ? 52 THR A CG2 1
714
+ ATOM 424 N N . ASN A 1 53 ? 66.174 -1.137 8.628 1.00 18.31 ? 53 ASN A N 1
715
+ ATOM 425 C CA . ASN A 1 53 ? 64.923 -0.822 7.951 1.00 19.32 ? 53 ASN A CA 1
716
+ ATOM 426 C C . ASN A 1 53 ? 63.992 -2.026 7.966 1.00 17.83 ? 53 ASN A C 1
717
+ ATOM 427 O O . ASN A 1 53 ? 64.364 -3.114 7.528 1.00 18.42 ? 53 ASN A O 1
718
+ ATOM 428 C CB . ASN A 1 53 ? 65.188 -0.384 6.511 1.00 25.04 ? 53 ASN A CB 1
719
+ ATOM 429 C CG . ASN A 1 53 ? 65.939 0.929 6.430 1.00 27.71 ? 53 ASN A CG 1
720
+ ATOM 430 O OD1 . ASN A 1 53 ? 65.884 1.747 7.349 1.00 38.79 ? 53 ASN A OD1 1
721
+ ATOM 431 N ND2 . ASN A 1 53 ? 66.649 1.138 5.328 1.00 41.33 ? 53 ASN A ND2 1
722
+ ATOM 432 N N . ILE A 1 54 ? 62.779 -1.829 8.471 1.00 19.57 ? 54 ILE A N 1
723
+ ATOM 433 C CA . ILE A 1 54 ? 61.832 -2.927 8.607 1.00 19.31 ? 54 ILE A CA 1
724
+ ATOM 434 C C . ILE A 1 54 ? 60.555 -2.693 7.810 1.00 16.70 ? 54 ILE A C 1
725
+ ATOM 435 O O . ILE A 1 54 ? 59.938 -1.632 7.902 1.00 13.45 ? 54 ILE A O 1
726
+ ATOM 436 C CB . ILE A 1 54 ? 61.444 -3.143 10.083 1.00 18.24 ? 54 ILE A CB 1
727
+ ATOM 437 C CG1 . ILE A 1 54 ? 62.696 -3.230 10.959 1.00 21.04 ? 54 ILE A CG1 1
728
+ ATOM 438 C CG2 . ILE A 1 54 ? 60.573 -4.382 10.232 1.00 24.52 ? 54 ILE A CG2 1
729
+ ATOM 439 C CD1 . ILE A 1 54 ? 62.408 -3.541 12.409 1.00 28.71 ? 54 ILE A CD1 1
730
+ ATOM 440 N N . THR A 1 55 ? 60.176 -3.688 7.015 1.00 16.56 ? 55 THR A N 1
731
+ ATOM 441 C CA . THR A 1 55 ? 58.906 -3.668 6.302 1.00 15.14 ? 55 THR A CA 1
732
+ ATOM 442 C C . THR A 1 55 ? 58.027 -4.825 6.764 1.00 15.85 ? 55 THR A C 1
733
+ ATOM 443 O O . THR A 1 55 ? 58.390 -5.989 6.605 1.00 10.97 ? 55 THR A O 1
734
+ ATOM 444 C CB . THR A 1 55 ? 59.112 -3.766 4.781 1.00 21.11 ? 55 THR A CB 1
735
+ ATOM 445 O OG1 . THR A 1 55 ? 59.870 -2.640 4.323 1.00 24.13 ? 55 THR A OG1 1
736
+ ATOM 446 C CG2 . THR A 1 55 ? 57.771 -3.796 4.064 1.00 23.67 ? 55 THR A CG2 1
737
+ ATOM 447 N N . VAL A 1 56 ? 56.879 -4.502 7.348 1.00 16.43 ? 56 VAL A N 1
738
+ ATOM 448 C CA . VAL A 1 56 ? 55.932 -5.521 7.793 1.00 16.62 ? 56 VAL A CA 1
739
+ ATOM 449 C C . VAL A 1 56 ? 54.610 -5.450 7.033 1.00 16.35 ? 56 VAL A C 1
740
+ ATOM 450 O O . VAL A 1 56 ? 53.969 -4.400 6.969 1.00 22.74 ? 56 VAL A O 1
741
+ ATOM 451 C CB . VAL A 1 56 ? 55.678 -5.438 9.305 1.00 9.42 ? 56 VAL A CB 1
742
+ ATOM 452 C CG1 . VAL A 1 56 ? 55.514 -4.010 9.708 1.00 26.38 ? 56 VAL A CG1 1
743
+ ATOM 453 C CG2 . VAL A 1 56 ? 54.452 -6.252 9.691 1.00 8.90 ? 56 VAL A CG2 1
744
+ ATOM 454 N N . GLU A 1 57 ? 54.219 -6.573 6.440 1.00 13.21 ? 57 GLU A N 1
745
+ ATOM 455 C CA . GLU A 1 57 ? 52.946 -6.678 5.738 1.00 13.55 ? 57 GLU A CA 1
746
+ ATOM 456 C C . GLU A 1 57 ? 51.816 -7.148 6.653 1.00 18.59 ? 57 GLU A C 1
747
+ ATOM 457 O O . GLU A 1 57 ? 51.844 -8.267 7.163 1.00 10.69 ? 57 GLU A O 1
748
+ ATOM 458 C CB . GLU A 1 57 ? 53.075 -7.606 4.532 1.00 11.82 ? 57 GLU A CB 1
749
+ ATOM 459 C CG . GLU A 1 57 ? 54.088 -7.134 3.511 1.00 36.10 ? 57 GLU A CG 1
750
+ ATOM 460 C CD . GLU A 1 57 ? 54.192 -8.069 2.325 1.00 55.85 ? 57 GLU A CD 1
751
+ ATOM 461 O OE1 . GLU A 1 57 ? 53.496 -9.106 2.322 1.00 66.05 ? 57 GLU A OE1 1
752
+ ATOM 462 O OE2 . GLU A 1 57 ? 54.971 -7.766 1.397 1.00 54.59 ? 57 GLU A OE2 1
753
+ ATOM 463 N N . VAL A 1 58 ? 50.831 -6.280 6.865 1.00 14.14 ? 58 VAL A N 1
754
+ ATOM 464 C CA . VAL A 1 58 ? 49.678 -6.610 7.695 1.00 11.93 ? 58 VAL A CA 1
755
+ ATOM 465 C C . VAL A 1 58 ? 48.476 -6.912 6.809 1.00 17.50 ? 58 VAL A C 1
756
+ ATOM 466 O O . VAL A 1 58 ? 48.179 -6.172 5.871 1.00 14.84 ? 58 VAL A O 1
757
+ ATOM 467 C CB . VAL A 1 58 ? 49.325 -5.452 8.647 1.00 19.10 ? 58 VAL A CB 1
758
+ ATOM 468 C CG1 . VAL A 1 58 ? 48.174 -5.844 9.559 1.00 7.40 ? 58 VAL A CG1 1
759
+ ATOM 469 C CG2 . VAL A 1 58 ? 50.548 -5.043 9.461 1.00 16.80 ? 58 VAL A CG2 1
760
+ ATOM 470 N N . GLU A 1 59 ? 47.790 -8.020 7.102 1.00 13.21 ? 59 GLU A N 1
761
+ ATOM 471 C CA . GLU A 1 59 ? 46.627 -8.424 6.320 1.00 13.30 ? 59 GLU A CA 1
762
+ ATOM 472 C C . GLU A 1 59 ? 45.314 -8.304 7.090 1.00 18.21 ? 59 GLU A C 1
763
+ ATOM 473 O O . GLU A 1 59 ? 45.209 -8.739 8.236 1.00 12.87 ? 59 GLU A O 1
764
+ ATOM 474 C CB . GLU A 1 59 ? 46.804 -9.852 5.801 1.00 13.64 ? 59 GLU A CB 1
765
+ ATOM 475 C CG . GLU A 1 59 ? 45.661 -10.340 4.923 1.00 21.57 ? 59 GLU A CG 1
766
+ ATOM 476 C CD . GLU A 1 59 ? 45.521 -9.545 3.632 1.00 43.95 ? 59 GLU A CD 1
767
+ ATOM 477 O OE1 . GLU A 1 59 ? 46.531 -8.985 3.156 1.00 51.90 ? 59 GLU A OE1 1
768
+ ATOM 478 O OE2 . GLU A 1 59 ? 44.397 -9.483 3.091 1.00 51.79 ? 59 GLU A OE2 1
769
+ ATOM 479 N N . LYS A 1 60 ? 44.309 -7.715 6.440 1.00 18.03 ? 60 LYS A N 1
770
+ ATOM 480 C CA . LYS A 1 60 ? 42.967 -7.620 7.001 1.00 20.34 ? 60 LYS A CA 1
771
+ ATOM 481 C C . LYS A 1 60 ? 42.096 -8.780 6.532 1.00 28.90 ? 60 LYS A C 1
772
+ ATOM 482 O O . LYS A 1 60 ? 41.798 -8.900 5.343 1.00 27.53 ? 60 LYS A O 1
773
+ ATOM 483 C CB . LYS A 1 60 ? 42.313 -6.297 6.588 1.00 14.81 ? 60 LYS A CB 1
774
+ ATOM 484 C CG . LYS A 1 60 ? 40.810 -6.235 6.829 1.00 16.27 ? 60 LYS A CG 1
775
+ ATOM 485 C CD . LYS A 1 60 ? 40.200 -4.976 6.218 1.00 27.65 ? 60 LYS A CD 1
776
+ ATOM 486 C CE . LYS A 1 60 ? 38.689 -4.917 6.428 1.00 25.52 ? 60 LYS A CE 1
777
+ ATOM 487 N NZ . LYS A 1 60 ? 38.320 -4.916 7.867 1.00 29.72 ? 60 LYS A NZ 1
778
+ ATOM 488 N N . GLN A 1 61 ? 41.694 -9.629 7.469 1.00 26.48 ? 61 GLN A N 1
779
+ ATOM 489 C CA . GLN A 1 61 ? 40.840 -10.771 7.161 1.00 23.43 ? 61 GLN A CA 1
780
+ ATOM 490 C C . GLN A 1 61 ? 39.547 -10.651 7.954 1.00 26.73 ? 61 GLN A C 1
781
+ ATOM 491 O O . GLN A 1 61 ? 39.509 -10.960 9.144 1.00 25.47 ? 61 GLN A O 1
782
+ ATOM 492 C CB . GLN A 1 61 ? 41.544 -12.090 7.481 1.00 26.77 ? 61 GLN A CB 1
783
+ ATOM 493 C CG . GLN A 1 61 ? 40.714 -13.332 7.173 1.00 38.22 ? 61 GLN A CG 1
784
+ ATOM 494 C CD . GLN A 1 61 ? 40.522 -13.564 5.683 1.00 52.12 ? 61 GLN A CD 1
785
+ ATOM 495 O OE1 . GLN A 1 61 ? 41.265 -14.325 5.063 1.00 52.31 ? 61 GLN A OE1 1
786
+ ATOM 496 N NE2 . GLN A 1 61 ? 39.518 -12.914 5.103 1.00 38.40 ? 61 GLN A NE2 1
787
+ ATOM 497 N N . GLY A 1 62 ? 38.490 -10.194 7.290 1.00 36.26 ? 62 GLY A N 1
788
+ ATOM 498 C CA . GLY A 1 62 ? 37.247 -9.883 7.969 1.00 27.36 ? 62 GLY A CA 1
789
+ ATOM 499 C C . GLY A 1 62 ? 37.422 -8.582 8.727 1.00 31.42 ? 62 GLY A C 1
790
+ ATOM 500 O O . GLY A 1 62 ? 37.249 -7.501 8.164 1.00 39.02 ? 62 GLY A O 1
791
+ ATOM 501 N N . ASN A 1 63 ? 37.771 -8.682 10.005 1.00 32.13 ? 63 ASN A N 1
792
+ ATOM 502 C CA . ASN A 1 63 ? 38.111 -7.499 10.787 1.00 35.60 ? 63 ASN A CA 1
793
+ ATOM 503 C C . ASN A 1 63 ? 39.301 -7.732 11.715 1.00 37.18 ? 63 ASN A C 1
794
+ ATOM 504 O O . ASN A 1 63 ? 39.503 -6.994 12.680 1.00 37.37 ? 63 ASN A O 1
795
+ ATOM 505 C CB . ASN A 1 63 ? 36.912 -6.994 11.587 1.00 28.14 ? 63 ASN A CB 1
796
+ ATOM 506 C CG . ASN A 1 63 ? 37.033 -5.525 11.941 1.00 43.99 ? 63 ASN A CG 1
797
+ ATOM 507 O OD1 . ASN A 1 63 ? 37.587 -4.736 11.176 1.00 48.15 ? 63 ASN A OD1 1
798
+ ATOM 508 N ND2 . ASN A 1 63 ? 36.552 -5.159 13.119 1.00 37.78 ? 63 ASN A ND2 1
799
+ ATOM 509 N N . THR A 1 64 ? 40.083 -8.764 11.423 1.00 38.72 ? 64 THR A N 1
800
+ ATOM 510 C CA . THR A 1 64 ? 41.312 -9.011 12.164 1.00 33.50 ? 64 THR A CA 1
801
+ ATOM 511 C C . THR A 1 64 ? 42.508 -8.550 11.344 1.00 28.59 ? 64 THR A C 1
802
+ ATOM 512 O O . THR A 1 64 ? 42.557 -8.760 10.132 1.00 24.65 ? 64 THR A O 1
803
+ ATOM 513 C CB . THR A 1 64 ? 41.477 -10.499 12.521 1.00 33.77 ? 64 THR A CB 1
804
+ ATOM 514 O OG1 . THR A 1 64 ? 41.154 -11.306 11.382 1.00 37.54 ? 64 THR A OG1 1
805
+ ATOM 515 C CG2 . THR A 1 64 ? 40.562 -10.873 13.678 1.00 38.73 ? 64 THR A CG2 1
806
+ ATOM 516 N N . PHE A 1 65 ? 43.467 -7.916 12.007 1.00 23.25 ? 65 PHE A N 1
807
+ ATOM 517 C CA . PHE A 1 65 ? 44.682 -7.470 11.340 1.00 19.46 ? 65 PHE A CA 1
808
+ ATOM 518 C C . PHE A 1 65 ? 45.874 -8.308 11.781 1.00 17.36 ? 65 PHE A C 1
809
+ ATOM 519 O O . PHE A 1 65 ? 46.346 -8.194 12.912 1.00 20.60 ? 65 PHE A O 1
810
+ ATOM 520 C CB . PHE A 1 65 ? 44.931 -5.987 11.615 1.00 14.39 ? 65 PHE A CB 1
811
+ ATOM 521 C CG . PHE A 1 65 ? 44.008 -5.071 10.863 1.00 22.62 ? 65 PHE A CG 1
812
+ ATOM 522 C CD1 . PHE A 1 65 ? 42.778 -4.718 11.393 1.00 25.12 ? 65 PHE A CD1 1
813
+ ATOM 523 C CD2 . PHE A 1 65 ? 44.368 -4.569 9.624 1.00 19.52 ? 65 PHE A CD2 1
814
+ ATOM 524 C CE1 . PHE A 1 65 ? 41.924 -3.878 10.701 1.00 23.89 ? 65 PHE A CE1 1
815
+ ATOM 525 C CE2 . PHE A 1 65 ? 43.520 -3.728 8.928 1.00 24.80 ? 65 PHE A CE2 1
816
+ ATOM 526 C CZ . PHE A 1 65 ? 42.297 -3.382 9.467 1.00 22.02 ? 65 PHE A CZ 1
817
+ ATOM 527 N N . THR A 1 66 ? 46.354 -9.151 10.874 1.00 13.66 ? 66 THR A N 1
818
+ ATOM 528 C CA . THR A 1 66 ? 47.402 -10.109 11.195 1.00 18.34 ? 66 THR A CA 1
819
+ ATOM 529 C C . THR A 1 66 ? 48.661 -9.856 10.373 1.00 11.24 ? 66 THR A C 1
820
+ ATOM 530 O O . THR A 1 66 ? 48.593 -9.637 9.164 1.00 10.12 ? 66 THR A O 1
821
+ ATOM 531 C CB . THR A 1 66 ? 46.925 -11.556 10.953 1.00 22.80 ? 66 THR A CB 1
822
+ ATOM 532 O OG1 . THR A 1 66 ? 45.654 -11.757 11.584 1.00 16.69 ? 66 THR A OG1 1
823
+ ATOM 533 C CG2 . THR A 1 66 ? 47.929 -12.556 11.510 1.00 20.29 ? 66 THR A CG2 1
824
+ ATOM 534 N N . VAL A 1 67 ? 49.808 -9.882 11.042 1.00 11.29 ? 67 VAL A N 1
825
+ ATOM 535 C CA . VAL A 1 67 ? 51.092 -9.782 10.366 1.00 12.92 ? 67 VAL A CA 1
826
+ ATOM 536 C C . VAL A 1 67 ? 51.310 -11.043 9.538 1.00 11.98 ? 67 VAL A C 1
827
+ ATOM 537 O O . VAL A 1 67 ? 51.079 -12.149 10.020 1.00 22.19 ? 67 VAL A O 1
828
+ ATOM 538 C CB . VAL A 1 67 ? 52.240 -9.636 11.382 1.00 20.44 ? 67 VAL A CB 1
829
+ ATOM 539 C CG1 . VAL A 1 67 ? 53.591 -9.709 10.685 1.00 14.64 ? 67 VAL A CG1 1
830
+ ATOM 540 C CG2 . VAL A 1 67 ? 52.100 -8.331 12.153 1.00 17.87 ? 67 VAL A CG2 1
831
+ ATOM 541 N N . LYS A 1 68 ? 51.737 -10.877 8.289 1.00 16.35 ? 68 LYS A N 1
832
+ ATOM 542 C CA . LYS A 1 68 ? 51.945 -12.018 7.403 1.00 17.71 ? 68 LYS A CA 1
833
+ ATOM 543 C C . LYS A 1 68 ? 53.386 -12.112 6.909 1.00 17.46 ? 68 LYS A C 1
834
+ ATOM 544 O O . LYS A 1 68 ? 53.889 -13.207 6.658 1.00 20.65 ? 68 LYS A O 1
835
+ ATOM 545 C CB . LYS A 1 68 ? 50.974 -11.974 6.217 1.00 17.28 ? 68 LYS A CB 1
836
+ ATOM 546 C CG . LYS A 1 68 ? 49.550 -12.391 6.563 1.00 21.56 ? 68 LYS A CG 1
837
+ ATOM 547 C CD . LYS A 1 68 ? 49.418 -13.904 6.689 1.00 22.92 ? 68 LYS A CD 1
838
+ ATOM 548 C CE . LYS A 1 68 ? 49.174 -14.557 5.334 1.00 37.92 ? 68 LYS A CE 1
839
+ ATOM 549 N NZ . LYS A 1 68 ? 49.013 -16.037 5.440 1.00 34.92 ? 68 LYS A NZ 1
840
+ ATOM 550 N N . ARG A 1 69 ? 54.051 -10.967 6.784 1.00 20.53 ? 69 ARG A N 1
841
+ ATOM 551 C CA . ARG A 1 69 ? 55.433 -10.934 6.307 1.00 23.00 ? 69 ARG A CA 1
842
+ ATOM 552 C C . ARG A 1 69 ? 56.251 -9.824 6.972 1.00 17.98 ? 69 ARG A C 1
843
+ ATOM 553 O O . ARG A 1 69 ? 55.787 -8.692 7.108 1.00 20.35 ? 69 ARG A O 1
844
+ ATOM 554 C CB . ARG A 1 69 ? 55.480 -10.793 4.781 1.00 27.52 ? 69 ARG A CB 1
845
+ ATOM 555 C CG . ARG A 1 69 ? 55.094 -12.058 4.018 1.00 35.85 ? 69 ARG A CG 1
846
+ ATOM 556 C CD . ARG A 1 69 ? 55.160 -11.850 2.516 1.00 45.34 ? 69 ARG A CD 1
847
+ ATOM 557 N NE . ARG A 1 69 ? 56.502 -11.483 2.076 1.00 47.72 ? 69 ARG A NE 1
848
+ ATOM 558 C CZ . ARG A 1 69 ? 57.380 -12.338 1.559 1.00 63.53 ? 69 ARG A CZ 1
849
+ ATOM 559 N NH1 . ARG A 1 69 ? 57.056 -13.615 1.410 1.00 60.29 ? 69 ARG A NH1 1
850
+ ATOM 560 N NH2 . ARG A 1 69 ? 58.579 -11.911 1.187 1.00 48.64 ? 69 ARG A NH2 1
851
+ ATOM 561 N N . ILE A 1 70 ? 57.469 -10.163 7.386 1.00 20.30 ? 70 ILE A N 1
852
+ ATOM 562 C CA . ILE A 1 70 ? 58.381 -9.200 7.999 1.00 22.11 ? 70 ILE A CA 1
853
+ ATOM 563 C C . ILE A 1 70 ? 59.745 -9.234 7.319 1.00 18.50 ? 70 ILE A C 1
854
+ ATOM 564 O O . ILE A 1 70 ? 60.372 -10.289 7.225 1.00 21.08 ? 70 ILE A O 1
855
+ ATOM 565 C CB . ILE A 1 70 ? 58.583 -9.490 9.499 1.00 22.15 ? 70 ILE A CB 1
856
+ ATOM 566 C CG1 . ILE A 1 70 ? 57.243 -9.498 10.235 1.00 14.90 ? 70 ILE A CG1 1
857
+ ATOM 567 C CG2 . ILE A 1 70 ? 59.528 -8.470 10.118 1.00 25.61 ? 70 ILE A CG2 1
858
+ ATOM 568 C CD1 . ILE A 1 70 ? 57.361 -9.836 11.701 1.00 22.34 ? 70 ILE A CD1 1
859
+ ATOM 569 N N . THR A 1 71 ? 60.204 -8.079 6.846 1.00 15.96 ? 71 THR A N 1
860
+ ATOM 570 C CA . THR A 1 71 ? 61.505 -7.993 6.190 1.00 14.44 ? 71 THR A CA 1
861
+ ATOM 571 C C . THR A 1 71 ? 62.436 -6.981 6.859 1.00 15.22 ? 71 THR A C 1
862
+ ATOM 572 O O . THR A 1 71 ? 62.120 -5.794 6.944 1.00 15.18 ? 71 THR A O 1
863
+ ATOM 573 C CB . THR A 1 71 ? 61.359 -7.633 4.699 1.00 13.44 ? 71 THR A CB 1
864
+ ATOM 574 O OG1 . THR A 1 71 ? 60.557 -8.623 4.041 1.00 20.27 ? 71 THR A OG1 1
865
+ ATOM 575 C CG2 . THR A 1 71 ? 62.722 -7.565 4.028 1.00 23.87 ? 71 THR A CG2 1
866
+ ATOM 576 N N . GLU A 1 72 ? 63.581 -7.462 7.335 1.00 16.84 ? 72 GLU A N 1
867
+ ATOM 577 C CA . GLU A 1 72 ? 64.570 -6.607 7.990 1.00 11.58 ? 72 GLU A CA 1
868
+ ATOM 578 C C . GLU A 1 72 ? 65.895 -6.547 7.238 1.00 13.92 ? 72 GLU A C 1
869
+ ATOM 579 O O . GLU A 1 72 ? 66.375 -7.547 6.715 1.00 15.38 ? 72 GLU A O 1
870
+ ATOM 580 C CB . GLU A 1 72 ? 64.813 -7.032 9.441 1.00 14.54 ? 72 GLU A CB 1
871
+ ATOM 581 C CG . GLU A 1 72 ? 63.752 -6.560 10.414 1.00 28.90 ? 72 GLU A CG 1
872
+ ATOM 582 C CD . GLU A 1 72 ? 64.075 -6.926 11.849 1.00 38.78 ? 72 GLU A CD 1
873
+ ATOM 583 O OE1 . GLU A 1 72 ? 63.256 -7.618 12.489 1.00 44.82 ? 72 GLU A OE1 1
874
+ ATOM 584 O OE2 . GLU A 1 72 ? 65.141 -6.501 12.345 1.00 36.73 ? 72 GLU A OE2 1
875
+ ATOM 585 N N . THR A 1 73 ? 66.480 -5.353 7.193 1.00 10.37 ? 73 THR A N 1
876
+ ATOM 586 C CA . THR A 1 73 ? 67.791 -5.145 6.595 1.00 20.91 ? 73 THR A CA 1
877
+ ATOM 587 C C . THR A 1 73 ? 68.641 -4.281 7.518 1.00 20.77 ? 73 THR A C 1
878
+ ATOM 588 O O . THR A 1 73 ? 68.247 -3.171 7.877 1.00 25.10 ? 73 THR A O 1
879
+ ATOM 589 C CB . THR A 1 73 ? 67.693 -4.472 5.217 1.00 20.08 ? 73 THR A CB 1
880
+ ATOM 590 O OG1 . THR A 1 73 ? 66.934 -3.261 5.328 1.00 21.20 ? 73 THR A OG1 1
881
+ ATOM 591 C CG2 . THR A 1 73 ? 67.020 -5.396 4.220 1.00 21.01 ? 73 THR A CG2 1
882
+ ATOM 592 N N . VAL A 1 74 ? 69.806 -4.793 7.897 1.00 15.84 ? 74 VAL A N 1
883
+ ATOM 593 C CA . VAL A 1 74 ? 70.675 -4.090 8.830 1.00 22.49 ? 74 VAL A CA 1
884
+ ATOM 594 C C . VAL A 1 74 ? 71.848 -3.452 8.100 1.00 23.90 ? 74 VAL A C 1
885
+ ATOM 595 O O . VAL A 1 74 ? 72.530 -4.104 7.311 1.00 31.44 ? 74 VAL A O 1
886
+ ATOM 596 C CB . VAL A 1 74 ? 71.240 -5.060 9.884 1.00 27.14 ? 74 VAL A CB 1
887
+ ATOM 597 C CG1 . VAL A 1 74 ? 71.937 -4.293 10.998 1.00 29.33 ? 74 VAL A CG1 1
888
+ ATOM 598 C CG2 . VAL A 1 74 ? 70.134 -5.946 10.441 1.00 14.18 ? 74 VAL A CG2 1
889
+ ATOM 599 N N . GLY A 1 75 ? 72.077 -2.171 8.371 1.00 20.41 ? 75 GLY A N 1
890
+ ATOM 600 C CA . GLY A 1 75 ? 73.150 -1.435 7.728 1.00 27.86 ? 75 GLY A CA 1
891
+ ATOM 601 C C . GLY A 1 75 ? 74.060 -0.737 8.719 1.00 30.80 ? 75 GLY A C 1
892
+ ATOM 602 O O . GLY A 1 75 ? 74.010 -1.014 9.919 1.00 28.94 ? 75 GLY A O 1
893
+ ATOM 603 N N . SER A 1 76 ? 74.886 0.173 8.208 1.00 47.05 ? 76 SER A N 1
894
+ ATOM 604 C CA . SER A 1 76 ? 75.843 0.925 9.019 1.00 33.33 ? 76 SER A CA 1
895
+ ATOM 605 C C . SER A 1 76 ? 76.791 0.013 9.795 1.00 30.64 ? 76 SER A C 1
896
+ ATOM 606 O O . SER A 1 76 ? 77.934 0.378 10.068 1.00 38.97 ? 76 SER A O 1
897
+ ATOM 607 C CB . SER A 1 76 ? 75.122 1.889 9.967 1.00 35.98 ? 76 SER A CB 1
898
+ ATOM 608 O OG . SER A 1 76 ? 74.400 2.869 9.243 1.00 45.01 ? 76 SER A OG 1
899
+ #
900
+ loop_
901
+ _pdbx_audit_revision_history.ordinal 1
902
+ _pdbx_audit_revision_history.data_content_type 'Structure model'
903
+ _pdbx_audit_revision_history.major_revision 1
904
+ _pdbx_audit_revision_history.minor_revision 0
905
+ _pdbx_audit_revision_history.revision_date 2014-09-24
906
+ #
mmcifs/4R81_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/4R8H_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/4R8O_A.cif ADDED
@@ -0,0 +1,1259 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_4R8O_A
2
+ #
3
+ _pdbx_database_status.entry_id 4R8O_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
+ ;DNLIYNAEEVNGVVVSETIFKMEGTMLTNYMKHNYKYDANNQRTEDEAQKWNSNKNRWENNLCIRYTYGNKSMTTEYYKW
22
+ NSKKKEYILVPEMTVTMD
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;DNLIYNAEEVNGVVVSETIFKMEGTMLTNYMKHNYKYDANNQRTEDEAQKWNSNKNRWENNLCIRYTYGNKSMTTEYYKW
26
+ NSKKKEYILVPEMTVTMD
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 ASP n
37
+ 1 2 ASN n
38
+ 1 3 LEU n
39
+ 1 4 ILE n
40
+ 1 5 TYR n
41
+ 1 6 ASN n
42
+ 1 7 ALA n
43
+ 1 8 GLU n
44
+ 1 9 GLU n
45
+ 1 10 VAL n
46
+ 1 11 ASN n
47
+ 1 12 GLY n
48
+ 1 13 VAL n
49
+ 1 14 VAL n
50
+ 1 15 VAL n
51
+ 1 16 SER n
52
+ 1 17 GLU n
53
+ 1 18 THR n
54
+ 1 19 ILE n
55
+ 1 20 PHE n
56
+ 1 21 LYS n
57
+ 1 22 MET n
58
+ 1 23 GLU n
59
+ 1 24 GLY n
60
+ 1 25 THR n
61
+ 1 26 MET n
62
+ 1 27 LEU n
63
+ 1 28 THR n
64
+ 1 29 ASN n
65
+ 1 30 TYR n
66
+ 1 31 MET n
67
+ 1 32 LYS n
68
+ 1 33 HIS n
69
+ 1 34 ASN n
70
+ 1 35 TYR n
71
+ 1 36 LYS n
72
+ 1 37 TYR n
73
+ 1 38 ASP n
74
+ 1 39 ALA n
75
+ 1 40 ASN n
76
+ 1 41 ASN n
77
+ 1 42 GLN n
78
+ 1 43 ARG n
79
+ 1 44 THR n
80
+ 1 45 GLU n
81
+ 1 46 ASP n
82
+ 1 47 GLU n
83
+ 1 48 ALA n
84
+ 1 49 GLN n
85
+ 1 50 LYS n
86
+ 1 51 TRP n
87
+ 1 52 ASN n
88
+ 1 53 SER n
89
+ 1 54 ASN n
90
+ 1 55 LYS n
91
+ 1 56 ASN n
92
+ 1 57 ARG n
93
+ 1 58 TRP n
94
+ 1 59 GLU n
95
+ 1 60 ASN n
96
+ 1 61 ASN n
97
+ 1 62 LEU n
98
+ 1 63 CYS n
99
+ 1 64 ILE n
100
+ 1 65 ARG n
101
+ 1 66 TYR n
102
+ 1 67 THR n
103
+ 1 68 TYR n
104
+ 1 69 GLY n
105
+ 1 70 ASN n
106
+ 1 71 LYS n
107
+ 1 72 SER n
108
+ 1 73 MET n
109
+ 1 74 THR n
110
+ 1 75 THR n
111
+ 1 76 GLU n
112
+ 1 77 TYR n
113
+ 1 78 TYR n
114
+ 1 79 LYS n
115
+ 1 80 TRP n
116
+ 1 81 ASN n
117
+ 1 82 SER n
118
+ 1 83 LYS n
119
+ 1 84 LYS n
120
+ 1 85 LYS n
121
+ 1 86 GLU n
122
+ 1 87 TYR n
123
+ 1 88 ILE n
124
+ 1 89 LEU n
125
+ 1 90 VAL n
126
+ 1 91 PRO n
127
+ 1 92 GLU n
128
+ 1 93 MET n
129
+ 1 94 THR n
130
+ 1 95 VAL n
131
+ 1 96 THR n
132
+ 1 97 MET n
133
+ 1 98 ASP n
134
+ #
135
+ _entity.id 1
136
+ _entity.type polymer
137
+ _entity.src_method man
138
+ _entity.pdbx_description ?
139
+ _entity.formula_weight 11829.212
140
+ _entity.pdbx_number_of_molecules 1
141
+ _entity.pdbx_ec ?
142
+ _entity.pdbx_mutation ?
143
+ _entity.pdbx_fragment ?
144
+ _entity.details ?
145
+ #
146
+ loop_
147
+ _pdbx_poly_seq_scheme.asym_id
148
+ _pdbx_poly_seq_scheme.entity_id
149
+ _pdbx_poly_seq_scheme.seq_id
150
+ _pdbx_poly_seq_scheme.mon_id
151
+ _pdbx_poly_seq_scheme.ndb_seq_num
152
+ _pdbx_poly_seq_scheme.pdb_seq_num
153
+ _pdbx_poly_seq_scheme.auth_seq_num
154
+ _pdbx_poly_seq_scheme.pdb_mon_id
155
+ _pdbx_poly_seq_scheme.auth_mon_id
156
+ _pdbx_poly_seq_scheme.pdb_strand_id
157
+ _pdbx_poly_seq_scheme.pdb_ins_code
158
+ _pdbx_poly_seq_scheme.hetero
159
+ A 1 1 ASP 1 1 1 ASP ASP A . n
160
+ A 1 2 ASN 2 2 2 ASN ASN A . n
161
+ A 1 3 LEU 3 3 3 LEU LEU A . n
162
+ A 1 4 ILE 4 4 4 ILE ILE A . n
163
+ A 1 5 TYR 5 5 5 TYR TYR A . n
164
+ A 1 6 ASN 6 6 6 ASN ASN A . n
165
+ A 1 7 ALA 7 7 7 ALA ALA A . n
166
+ A 1 8 GLU 8 8 8 GLU GLU A . n
167
+ A 1 9 GLU 9 9 9 GLU GLU A . n
168
+ A 1 10 VAL 10 10 10 VAL VAL A . n
169
+ A 1 11 ASN 11 11 11 ASN ASN A . n
170
+ A 1 12 GLY 12 12 12 GLY GLY A . n
171
+ A 1 13 VAL 13 13 13 VAL VAL A . n
172
+ A 1 14 VAL 14 14 14 VAL VAL A . n
173
+ A 1 15 VAL 15 15 15 VAL VAL A . n
174
+ A 1 16 SER 16 16 16 SER SER A . n
175
+ A 1 17 GLU 17 17 17 GLU GLU A . n
176
+ A 1 18 THR 18 18 18 THR THR A . n
177
+ A 1 19 ILE 19 19 19 ILE ILE A . n
178
+ A 1 20 PHE 20 20 20 PHE PHE A . n
179
+ A 1 21 LYS 21 21 21 LYS LYS A . n
180
+ A 1 22 MET 22 22 22 MET MET A . n
181
+ A 1 23 GLU 23 23 23 GLU GLU A . n
182
+ A 1 24 GLY 24 24 24 GLY GLY A . n
183
+ A 1 25 THR 25 25 25 THR THR A . n
184
+ A 1 26 MET 26 26 26 MET MET A . n
185
+ A 1 27 LEU 27 27 27 LEU LEU A . n
186
+ A 1 28 THR 28 28 28 THR THR A . n
187
+ A 1 29 ASN 29 29 29 ASN ASN A . n
188
+ A 1 30 TYR 30 30 30 TYR TYR A . n
189
+ A 1 31 MET 31 31 31 MET MET A . n
190
+ A 1 32 LYS 32 32 32 LYS LYS A . n
191
+ A 1 33 HIS 33 33 33 HIS HIS A . n
192
+ A 1 34 ASN 34 34 34 ASN ASN A . n
193
+ A 1 35 TYR 35 35 35 TYR TYR A . n
194
+ A 1 36 LYS 36 36 36 LYS LYS A . n
195
+ A 1 37 TYR 37 37 37 TYR TYR A . n
196
+ A 1 38 ASP 38 38 38 ASP ASP A . n
197
+ A 1 39 ALA 39 39 39 ALA ALA A . n
198
+ A 1 40 ASN 40 40 40 ASN ASN A . n
199
+ A 1 41 ASN 41 41 41 ASN ASN A . n
200
+ A 1 42 GLN 42 42 42 GLN GLN A . n
201
+ A 1 43 ARG 43 43 43 ARG ARG A . n
202
+ A 1 44 THR 44 44 44 THR THR A . n
203
+ A 1 45 GLU 45 45 45 GLU GLU A . n
204
+ A 1 46 ASP 46 46 46 ASP ASP A . n
205
+ A 1 47 GLU 47 47 47 GLU GLU A . n
206
+ A 1 48 ALA 48 48 48 ALA ALA A . n
207
+ A 1 49 GLN 49 49 49 GLN GLN A . n
208
+ A 1 50 LYS 50 50 50 LYS LYS A . n
209
+ A 1 51 TRP 51 51 51 TRP TRP A . n
210
+ A 1 52 ASN 52 52 52 ASN ASN A . n
211
+ A 1 53 SER 53 53 53 SER SER A . n
212
+ A 1 54 ASN 54 54 54 ASN ASN A . n
213
+ A 1 55 LYS 55 55 55 LYS LYS A . n
214
+ A 1 56 ASN 56 56 56 ASN ASN A . n
215
+ A 1 57 ARG 57 57 57 ARG ARG A . n
216
+ A 1 58 TRP 58 58 58 TRP TRP A . n
217
+ A 1 59 GLU 59 59 59 GLU GLU A . n
218
+ A 1 60 ASN 60 60 60 ASN ASN A . n
219
+ A 1 61 ASN 61 61 61 ASN ASN A . n
220
+ A 1 62 LEU 62 62 62 LEU LEU A . n
221
+ A 1 63 CYS 63 63 63 CYS CYS A . n
222
+ A 1 64 ILE 64 64 64 ILE ILE A . n
223
+ A 1 65 ARG 65 65 65 ARG ARG A . n
224
+ A 1 66 TYR 66 66 66 TYR TYR A . n
225
+ A 1 67 THR 67 67 67 THR THR A . n
226
+ A 1 68 TYR 68 68 68 TYR TYR A . n
227
+ A 1 69 GLY 69 69 69 GLY GLY A . n
228
+ A 1 70 ASN 70 70 70 ASN ASN A . n
229
+ A 1 71 LYS 71 71 71 LYS LYS A . n
230
+ A 1 72 SER 72 72 72 SER SER A . n
231
+ A 1 73 MET 73 73 73 MET MET A . n
232
+ A 1 74 THR 74 74 74 THR THR A . n
233
+ A 1 75 THR 75 75 75 THR THR A . n
234
+ A 1 76 GLU 76 76 76 GLU GLU A . n
235
+ A 1 77 TYR 77 77 77 TYR TYR A . n
236
+ A 1 78 TYR 78 78 78 TYR TYR A . n
237
+ A 1 79 LYS 79 79 79 LYS LYS A . n
238
+ A 1 80 TRP 80 80 80 TRP TRP A . n
239
+ A 1 81 ASN 81 81 81 ASN ASN A . n
240
+ A 1 82 SER 82 82 82 SER SER A . n
241
+ A 1 83 LYS 83 83 83 LYS LYS A . n
242
+ A 1 84 LYS 84 84 84 LYS LYS A . n
243
+ A 1 85 LYS 85 85 85 LYS LYS A . n
244
+ A 1 86 GLU 86 86 86 GLU GLU A . n
245
+ A 1 87 TYR 87 87 87 TYR TYR A . n
246
+ A 1 88 ILE 88 88 88 ILE ILE A . n
247
+ A 1 89 LEU 89 89 89 LEU LEU A . n
248
+ A 1 90 VAL 90 90 90 VAL VAL A . n
249
+ A 1 91 PRO 91 91 91 PRO PRO A . n
250
+ A 1 92 GLU 92 92 92 GLU GLU A . n
251
+ A 1 93 MET 93 93 93 MET MET A . n
252
+ A 1 94 THR 94 94 94 THR THR A . n
253
+ A 1 95 VAL 95 95 95 VAL VAL A . n
254
+ A 1 96 THR 96 96 96 THR THR A . n
255
+ A 1 97 MET 97 97 97 MET MET A . n
256
+ A 1 98 ASP 98 98 98 ASP ASP A . n
257
+ #
258
+ loop_
259
+ _chem_comp.id
260
+ _chem_comp.type
261
+ _chem_comp.mon_nstd_flag
262
+ _chem_comp.name
263
+ _chem_comp.pdbx_synonyms
264
+ _chem_comp.formula
265
+ _chem_comp.formula_weight
266
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
267
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
268
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
269
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
270
+ CYS "L-peptide linking" y CYSTEINE ? "C3 H7 N O2 S" 121.158
271
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
272
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
273
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
274
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
275
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
276
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
277
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
278
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
279
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
280
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
281
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
282
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
283
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
284
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
285
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
286
+ #
287
+ _struct_asym.id A
288
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
289
+ _struct_asym.pdbx_modified N
290
+ _struct_asym.entity_id 1
291
+ _struct_asym.details ?
292
+ #
293
+ _atom_sites.entry_id 4R8O_A
294
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
295
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
296
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
297
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
298
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
299
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
300
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
301
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
302
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
303
+ _atom_sites.fract_transf_vector[1] 0.00000
304
+ _atom_sites.fract_transf_vector[2] 0.00000
305
+ _atom_sites.fract_transf_vector[3] 0.00000
306
+ #
307
+ loop_
308
+ _pdbx_validate_rmsd_bond.id
309
+ _pdbx_validate_rmsd_bond.PDB_model_num
310
+ _pdbx_validate_rmsd_bond.auth_atom_id_1
311
+ _pdbx_validate_rmsd_bond.auth_asym_id_1
312
+ _pdbx_validate_rmsd_bond.auth_comp_id_1
313
+ _pdbx_validate_rmsd_bond.auth_seq_id_1
314
+ _pdbx_validate_rmsd_bond.PDB_ins_code_1
315
+ _pdbx_validate_rmsd_bond.label_alt_id_1
316
+ _pdbx_validate_rmsd_bond.auth_atom_id_2
317
+ _pdbx_validate_rmsd_bond.auth_asym_id_2
318
+ _pdbx_validate_rmsd_bond.auth_comp_id_2
319
+ _pdbx_validate_rmsd_bond.auth_seq_id_2
320
+ _pdbx_validate_rmsd_bond.PDB_ins_code_2
321
+ _pdbx_validate_rmsd_bond.label_alt_id_2
322
+ _pdbx_validate_rmsd_bond.bond_value
323
+ _pdbx_validate_rmsd_bond.bond_target_value
324
+ _pdbx_validate_rmsd_bond.bond_deviation
325
+ _pdbx_validate_rmsd_bond.bond_standard_deviation
326
+ _pdbx_validate_rmsd_bond.linker_flag
327
+ 1 1 CG A MET 26 ? ? SD A MET 26 ? ? 1.974 1.807 0.167 0.026 N
328
+ 2 1 CG A MET 31 ? ? SD A MET 31 ? ? 1.964 1.807 0.157 0.026 N
329
+ 3 1 CG A MET 93 ? ? SD A MET 93 ? ? 1.977 1.807 0.170 0.026 N
330
+ 4 1 CG A MET 97 ? ? SD A MET 97 ? ? 1.980 1.807 0.173 0.026 N
331
+ #
332
+ _pdbx_validate_rmsd_angle.id 1
333
+ _pdbx_validate_rmsd_angle.PDB_model_num 1
334
+ _pdbx_validate_rmsd_angle.auth_atom_id_1 CG
335
+ _pdbx_validate_rmsd_angle.auth_asym_id_1 A
336
+ _pdbx_validate_rmsd_angle.auth_comp_id_1 MET
337
+ _pdbx_validate_rmsd_angle.auth_seq_id_1 31
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 SD
341
+ _pdbx_validate_rmsd_angle.auth_asym_id_2 A
342
+ _pdbx_validate_rmsd_angle.auth_comp_id_2 MET
343
+ _pdbx_validate_rmsd_angle.auth_seq_id_2 31
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 CE
347
+ _pdbx_validate_rmsd_angle.auth_asym_id_3 A
348
+ _pdbx_validate_rmsd_angle.auth_comp_id_3 MET
349
+ _pdbx_validate_rmsd_angle.auth_seq_id_3 31
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 82.83
353
+ _pdbx_validate_rmsd_angle.angle_target_value 100.20
354
+ _pdbx_validate_rmsd_angle.angle_deviation -17.37
355
+ _pdbx_validate_rmsd_angle.angle_standard_deviation 1.60
356
+ _pdbx_validate_rmsd_angle.linker_flag N
357
+ #
358
+ loop_
359
+ _pdbx_validate_torsion.id
360
+ _pdbx_validate_torsion.PDB_model_num
361
+ _pdbx_validate_torsion.auth_comp_id
362
+ _pdbx_validate_torsion.auth_asym_id
363
+ _pdbx_validate_torsion.auth_seq_id
364
+ _pdbx_validate_torsion.PDB_ins_code
365
+ _pdbx_validate_torsion.label_alt_id
366
+ _pdbx_validate_torsion.phi
367
+ _pdbx_validate_torsion.psi
368
+ 1 1 TYR A 30 ? ? -129.61 -54.47
369
+ 2 1 ASP A 46 ? ? -156.87 83.99
370
+ 3 1 ASN A 61 ? ? -133.93 -74.55
371
+ #
372
+ loop_
373
+ _pdbx_unobs_or_zero_occ_atoms.id
374
+ _pdbx_unobs_or_zero_occ_atoms.PDB_model_num
375
+ _pdbx_unobs_or_zero_occ_atoms.polymer_flag
376
+ _pdbx_unobs_or_zero_occ_atoms.occupancy_flag
377
+ _pdbx_unobs_or_zero_occ_atoms.auth_asym_id
378
+ _pdbx_unobs_or_zero_occ_atoms.auth_comp_id
379
+ _pdbx_unobs_or_zero_occ_atoms.auth_seq_id
380
+ _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
381
+ _pdbx_unobs_or_zero_occ_atoms.auth_atom_id
382
+ _pdbx_unobs_or_zero_occ_atoms.label_alt_id
383
+ _pdbx_unobs_or_zero_occ_atoms.label_asym_id
384
+ _pdbx_unobs_or_zero_occ_atoms.label_comp_id
385
+ _pdbx_unobs_or_zero_occ_atoms.label_seq_id
386
+ _pdbx_unobs_or_zero_occ_atoms.label_atom_id
387
+ 1 1 Y 1 A ASP 1 ? CG ? A ASP 1 CG
388
+ 2 1 Y 1 A ASP 1 ? OD1 ? A ASP 1 OD1
389
+ 3 1 Y 1 A ASP 1 ? OD2 ? A ASP 1 OD2
390
+ #
391
+ loop_
392
+ _atom_type.symbol
393
+ C
394
+ N
395
+ O
396
+ S
397
+ #
398
+ _entry.id 4R8O_A
399
+ #
400
+ loop_
401
+ _atom_site.group_PDB
402
+ _atom_site.id
403
+ _atom_site.type_symbol
404
+ _atom_site.label_atom_id
405
+ _atom_site.label_alt_id
406
+ _atom_site.label_comp_id
407
+ _atom_site.label_asym_id
408
+ _atom_site.label_entity_id
409
+ _atom_site.label_seq_id
410
+ _atom_site.pdbx_PDB_ins_code
411
+ _atom_site.Cartn_x
412
+ _atom_site.Cartn_y
413
+ _atom_site.Cartn_z
414
+ _atom_site.occupancy
415
+ _atom_site.B_iso_or_equiv
416
+ _atom_site.pdbx_formal_charge
417
+ _atom_site.auth_seq_id
418
+ _atom_site.auth_comp_id
419
+ _atom_site.auth_asym_id
420
+ _atom_site.auth_atom_id
421
+ _atom_site.pdbx_PDB_model_num
422
+ ATOM 1 N N . ASP A 1 1 ? 22.020 43.678 27.430 1.00 97.95 ? 1 ASP A N 1
423
+ ATOM 2 C CA . ASP A 1 1 ? 21.246 44.340 28.544 1.00 102.85 ? 1 ASP A CA 1
424
+ ATOM 3 C C . ASP A 1 1 ? 21.455 45.835 28.616 1.00 113.98 ? 1 ASP A C 1
425
+ ATOM 4 O O . ASP A 1 1 ? 20.528 46.580 28.930 1.00 112.94 ? 1 ASP A O 1
426
+ ATOM 5 C CB . ASP A 1 1 ? 21.582 43.731 29.912 1.00 99.13 ? 1 ASP A CB 1
427
+ ATOM 6 N N . ASN A 1 2 ? 22.671 46.271 28.305 1.00 119.75 ? 2 ASN A N 1
428
+ ATOM 7 C CA . ASN A 1 2 ? 22.952 47.667 28.098 1.00 113.79 ? 2 ASN A CA 1
429
+ ATOM 8 C C . ASN A 1 2 ? 22.523 48.063 26.682 1.00 105.07 ? 2 ASN A C 1
430
+ ATOM 9 O O . ASN A 1 2 ? 22.968 49.102 26.180 1.00 104.50 ? 2 ASN A O 1
431
+ ATOM 10 C CB . ASN A 1 2 ? 24.457 47.901 28.329 1.00 119.37 ? 2 ASN A CB 1
432
+ ATOM 11 C CG . ASN A 1 2 ? 24.845 49.366 28.309 1.00 125.61 ? 2 ASN A CG 1
433
+ ATOM 12 O OD1 . ASN A 1 2 ? 24.014 50.245 28.533 1.00 123.76 ? 2 ASN A OD1 1
434
+ ATOM 13 N ND2 . ASN A 1 2 ? 26.114 49.637 28.016 1.00 123.47 ? 2 ASN A ND2 1
435
+ ATOM 14 N N . LEU A 1 3 ? 21.675 47.252 26.013 1.00 94.15 ? 3 LEU A N 1
436
+ ATOM 15 C CA . LEU A 1 3 ? 21.380 47.476 24.581 1.00 85.73 ? 3 LEU A CA 1
437
+ ATOM 16 C C . LEU A 1 3 ? 19.953 47.852 24.222 1.00 80.33 ? 3 LEU A C 1
438
+ ATOM 17 O O . LEU A 1 3 ? 18.999 47.318 24.784 1.00 78.32 ? 3 LEU A O 1
439
+ ATOM 18 C CB . LEU A 1 3 ? 21.686 46.250 23.743 1.00 86.85 ? 3 LEU A CB 1
440
+ ATOM 19 C CG . LEU A 1 3 ? 23.077 45.663 23.877 1.00 83.60 ? 3 LEU A CG 1
441
+ ATOM 20 C CD1 . LEU A 1 3 ? 23.080 44.314 23.185 1.00 81.39 ? 3 LEU A CD1 1
442
+ ATOM 21 C CD2 . LEU A 1 3 ? 24.118 46.612 23.285 1.00 83.15 ? 3 LEU A CD2 1
443
+ ATOM 22 N N . ILE A 1 4 ? 19.827 48.684 23.182 1.00 72.07 ? 4 ILE A N 1
444
+ ATOM 23 C CA . ILE A 1 4 ? 18.555 49.217 22.731 1.00 65.83 ? 4 ILE A CA 1
445
+ ATOM 24 C C . ILE A 1 4 ? 18.293 48.898 21.259 1.00 66.56 ? 4 ILE A C 1
446
+ ATOM 25 O O . ILE A 1 4 ? 19.148 49.105 20.393 1.00 64.46 ? 4 ILE A O 1
447
+ ATOM 26 C CB . ILE A 1 4 ? 18.521 50.727 22.957 1.00 70.05 ? 4 ILE A CB 1
448
+ ATOM 27 C CG1 . ILE A 1 4 ? 18.688 51.046 24.471 1.00 71.65 ? 4 ILE A CG1 1
449
+ ATOM 28 C CG2 . ILE A 1 4 ? 17.225 51.287 22.463 1.00 69.01 ? 4 ILE A CG2 1
450
+ ATOM 29 C CD1 . ILE A 1 4 ? 20.104 51.416 24.873 1.00 75.66 ? 4 ILE A CD1 1
451
+ ATOM 30 N N . TYR A 1 5 ? 17.069 48.465 20.976 1.00 62.60 ? 5 TYR A N 1
452
+ ATOM 31 C CA . TYR A 1 5 ? 16.718 47.900 19.698 1.00 61.44 ? 5 TYR A CA 1
453
+ ATOM 32 C C . TYR A 1 5 ? 15.699 48.738 18.946 1.00 65.21 ? 5 TYR A C 1
454
+ ATOM 33 O O . TYR A 1 5 ? 14.711 49.195 19.523 1.00 72.13 ? 5 TYR A O 1
455
+ ATOM 34 C CB . TYR A 1 5 ? 16.166 46.496 19.919 1.00 63.00 ? 5 TYR A CB 1
456
+ ATOM 35 C CG . TYR A 1 5 ? 17.177 45.591 20.621 1.00 66.62 ? 5 TYR A CG 1
457
+ ATOM 36 C CD1 . TYR A 1 5 ? 17.266 45.566 22.020 1.00 65.91 ? 5 TYR A CD1 1
458
+ ATOM 37 C CD2 . TYR A 1 5 ? 18.073 44.784 19.897 1.00 65.83 ? 5 TYR A CD2 1
459
+ ATOM 38 C CE1 . TYR A 1 5 ? 18.198 44.764 22.675 1.00 66.60 ? 5 TYR A CE1 1
460
+ ATOM 39 C CE2 . TYR A 1 5 ? 19.007 43.960 20.545 1.00 65.34 ? 5 TYR A CE2 1
461
+ ATOM 40 C CZ . TYR A 1 5 ? 19.068 43.948 21.944 1.00 69.35 ? 5 TYR A CZ 1
462
+ ATOM 41 O OH . TYR A 1 5 ? 19.999 43.148 22.636 1.00 68.05 ? 5 TYR A OH 1
463
+ ATOM 42 N N . ASN A 1 6 ? 15.923 48.916 17.644 1.00 61.28 ? 6 ASN A N 1
464
+ ATOM 43 C CA . ASN A 1 6 ? 14.890 49.417 16.747 1.00 63.40 ? 6 ASN A CA 1
465
+ ATOM 44 C C . ASN A 1 6 ? 14.829 48.624 15.450 1.00 64.47 ? 6 ASN A C 1
466
+ ATOM 45 O O . ASN A 1 6 ? 15.834 48.539 14.723 1.00 66.63 ? 6 ASN A O 1
467
+ ATOM 46 C CB . ASN A 1 6 ? 15.121 50.852 16.383 1.00 63.81 ? 6 ASN A CB 1
468
+ ATOM 47 C CG . ASN A 1 6 ? 14.039 51.371 15.463 1.00 68.15 ? 6 ASN A CG 1
469
+ ATOM 48 O OD1 . ASN A 1 6 ? 12.899 51.644 15.892 1.00 70.39 ? 6 ASN A OD1 1
470
+ ATOM 49 N ND2 . ASN A 1 6 ? 14.368 51.486 14.187 1.00 67.48 ? 6 ASN A ND2 1
471
+ ATOM 50 N N . ALA A 1 7 ? 13.623 48.149 15.135 1.00 59.60 ? 7 ALA A N 1
472
+ ATOM 51 C CA . ALA A 1 7 ? 13.358 47.278 14.008 1.00 54.18 ? 7 ALA A CA 1
473
+ ATOM 52 C C . ALA A 1 7 ? 12.622 48.012 12.904 1.00 59.53 ? 7 ALA A C 1
474
+ ATOM 53 O O . ALA A 1 7 ? 11.689 48.801 13.162 1.00 56.17 ? 7 ALA A O 1
475
+ ATOM 54 C CB . ALA A 1 7 ? 12.505 46.103 14.448 1.00 55.58 ? 7 ALA A CB 1
476
+ ATOM 55 N N . GLU A 1 8 ? 13.021 47.705 11.668 1.00 58.49 ? 8 GLU A N 1
477
+ ATOM 56 C CA . GLU A 1 8 ? 12.349 48.183 10.497 1.00 54.87 ? 8 GLU A CA 1
478
+ ATOM 57 C C . GLU A 1 8 ? 11.574 47.013 9.940 1.00 63.26 ? 8 GLU A C 1
479
+ ATOM 58 O O . GLU A 1 8 ? 12.166 45.967 9.593 1.00 67.65 ? 8 GLU A O 1
480
+ ATOM 59 C CB . GLU A 1 8 ? 13.355 48.643 9.453 1.00 54.76 ? 8 GLU A CB 1
481
+ ATOM 60 C CG . GLU A 1 8 ? 12.704 48.879 8.099 1.00 54.23 ? 8 GLU A CG 1
482
+ ATOM 61 C CD . GLU A 1 8 ? 13.676 49.238 7.004 1.00 61.92 ? 8 GLU A CD 1
483
+ ATOM 62 O OE1 . GLU A 1 8 ? 14.894 49.460 7.281 1.00 65.58 ? 8 GLU A OE1 1
484
+ ATOM 63 O OE2 . GLU A 1 8 ? 13.194 49.240 5.840 1.00 57.48 ? 8 GLU A OE2 1
485
+ ATOM 64 N N . GLU A 1 9 ? 10.288 47.237 9.725 1.00 64.08 ? 9 GLU A N 1
486
+ ATOM 65 C CA . GLU A 1 9 ? 9.374 46.207 9.239 1.00 74.57 ? 9 GLU A CA 1
487
+ ATOM 66 C C . GLU A 1 9 ? 8.931 46.579 7.819 1.00 74.28 ? 9 GLU A C 1
488
+ ATOM 67 O O . GLU A 1 9 ? 8.787 47.758 7.509 1.00 81.06 ? 9 GLU A O 1
489
+ ATOM 68 C CB . GLU A 1 9 ? 8.188 46.071 10.179 1.00 81.38 ? 9 GLU A CB 1
490
+ ATOM 69 C CG . GLU A 1 9 ? 7.208 44.968 9.781 1.00 90.31 ? 9 GLU A CG 1
491
+ ATOM 70 C CD . GLU A 1 9 ? 6.443 44.347 10.956 1.00 97.91 ? 9 GLU A CD 1
492
+ ATOM 71 O OE1 . GLU A 1 9 ? 7.056 44.023 12.000 1.00 101.41 ? 9 GLU A OE1 1
493
+ ATOM 72 O OE2 . GLU A 1 9 ? 5.214 44.156 10.822 1.00 104.46 ? 9 GLU A OE2 1
494
+ ATOM 73 N N . VAL A 1 10 ? 8.777 45.579 6.956 1.00 74.80 ? 10 VAL A N 1
495
+ ATOM 74 C CA . VAL A 1 10 ? 8.241 45.748 5.586 1.00 83.15 ? 10 VAL A CA 1
496
+ ATOM 75 C C . VAL A 1 10 ? 7.395 44.507 5.341 1.00 88.37 ? 10 VAL A C 1
497
+ ATOM 76 O O . VAL A 1 10 ? 7.909 43.400 5.466 1.00 90.97 ? 10 VAL A O 1
498
+ ATOM 77 C CB . VAL A 1 10 ? 9.353 45.861 4.495 1.00 80.43 ? 10 VAL A CB 1
499
+ ATOM 78 C CG1 . VAL A 1 10 ? 8.791 45.758 3.082 1.00 81.15 ? 10 VAL A CG1 1
500
+ ATOM 79 C CG2 . VAL A 1 10 ? 10.130 47.158 4.657 1.00 79.23 ? 10 VAL A CG2 1
501
+ ATOM 80 N N . ASN A 1 11 ? 6.114 44.702 5.014 1.00 90.31 ? 11 ASN A N 1
502
+ ATOM 81 C CA . ASN A 1 11 ? 5.159 43.610 4.776 1.00 89.86 ? 11 ASN A CA 1
503
+ ATOM 82 C C . ASN A 1 11 ? 5.121 42.532 5.877 1.00 87.60 ? 11 ASN A C 1
504
+ ATOM 83 O O . ASN A 1 11 ? 5.022 41.336 5.580 1.00 89.22 ? 11 ASN A O 1
505
+ ATOM 84 C CB . ASN A 1 11 ? 5.415 42.963 3.402 1.00 89.87 ? 11 ASN A CB 1
506
+ ATOM 85 C CG . ASN A 1 11 ? 5.268 43.937 2.240 1.00 90.65 ? 11 ASN A CG 1
507
+ ATOM 86 O OD1 . ASN A 1 11 ? 4.526 44.930 2.306 1.00 89.42 ? 11 ASN A OD1 1
508
+ ATOM 87 N ND2 . ASN A 1 11 ? 5.963 43.637 1.145 1.00 87.21 ? 11 ASN A ND2 1
509
+ ATOM 88 N N . GLY A 1 12 ? 5.232 42.950 7.143 1.00 82.49 ? 12 GLY A N 1
510
+ ATOM 89 C CA . GLY A 1 12 ? 5.117 42.022 8.264 1.00 77.22 ? 12 GLY A CA 1
511
+ ATOM 90 C C . GLY A 1 12 ? 6.419 41.410 8.719 1.00 78.45 ? 12 GLY A C 1
512
+ ATOM 91 O O . GLY A 1 12 ? 6.446 40.790 9.785 1.00 84.03 ? 12 GLY A O 1
513
+ ATOM 92 N N . VAL A 1 13 ? 7.491 41.578 7.938 1.00 72.39 ? 13 VAL A N 1
514
+ ATOM 93 C CA . VAL A 1 13 ? 8.781 41.037 8.302 1.00 68.48 ? 13 VAL A CA 1
515
+ ATOM 94 C C . VAL A 1 13 ? 9.790 42.137 8.491 1.00 67.24 ? 13 VAL A C 1
516
+ ATOM 95 O O . VAL A 1 13 ? 9.926 43.021 7.650 1.00 67.96 ? 13 VAL A O 1
517
+ ATOM 96 C CB . VAL A 1 13 ? 9.351 40.008 7.292 1.00 69.42 ? 13 VAL A CB 1
518
+ ATOM 97 C CG1 . VAL A 1 13 ? 8.537 38.720 7.370 1.00 77.40 ? 13 VAL A CG1 1
519
+ ATOM 98 C CG2 . VAL A 1 13 ? 9.408 40.531 5.863 1.00 65.64 ? 13 VAL A CG2 1
520
+ ATOM 99 N N . VAL A 1 14 ? 10.536 41.998 9.586 1.00 66.73 ? 14 VAL A N 1
521
+ ATOM 100 C CA . VAL A 1 14 ? 11.710 42.801 9.881 1.00 66.21 ? 14 VAL A CA 1
522
+ ATOM 101 C C . VAL A 1 14 ? 12.857 42.649 8.876 1.00 66.40 ? 14 VAL A C 1
523
+ ATOM 102 O O . VAL A 1 14 ? 13.508 41.627 8.824 1.00 71.47 ? 14 VAL A O 1
524
+ ATOM 103 C CB . VAL A 1 14 ? 12.247 42.539 11.311 1.00 66.19 ? 14 VAL A CB 1
525
+ ATOM 104 C CG1 . VAL A 1 14 ? 11.241 43.017 12.336 1.00 69.10 ? 14 VAL A CG1 1
526
+ ATOM 105 C CG2 . VAL A 1 14 ? 12.562 41.072 11.578 1.00 76.63 ? 14 VAL A CG2 1
527
+ ATOM 106 N N . VAL A 1 15 ? 13.100 43.695 8.092 1.00 70.75 ? 15 VAL A N 1
528
+ ATOM 107 C CA . VAL A 1 15 ? 14.121 43.726 7.034 1.00 64.54 ? 15 VAL A CA 1
529
+ ATOM 108 C C . VAL A 1 15 ? 15.442 44.166 7.610 1.00 60.68 ? 15 VAL A C 1
530
+ ATOM 109 O O . VAL A 1 15 ? 16.494 43.967 7.014 1.00 67.12 ? 15 VAL A O 1
531
+ ATOM 110 C CB . VAL A 1 15 ? 13.696 44.721 5.920 1.00 67.48 ? 15 VAL A CB 1
532
+ ATOM 111 C CG1 . VAL A 1 15 ? 14.726 44.833 4.782 1.00 71.64 ? 15 VAL A CG1 1
533
+ ATOM 112 C CG2 . VAL A 1 15 ? 12.361 44.281 5.366 1.00 64.08 ? 15 VAL A CG2 1
534
+ ATOM 113 N N . SER A 1 16 ? 15.380 44.816 8.750 1.00 60.02 ? 16 SER A N 1
535
+ ATOM 114 C CA . SER A 1 16 ? 16.549 45.334 9.385 1.00 62.54 ? 16 SER A CA 1
536
+ ATOM 115 C C . SER A 1 16 ? 16.278 45.602 10.852 1.00 65.32 ? 16 SER A C 1
537
+ ATOM 116 O O . SER A 1 16 ? 15.134 45.855 11.252 1.00 64.00 ? 16 SER A O 1
538
+ ATOM 117 C CB . SER A 1 16 ? 16.955 46.636 8.705 1.00 62.42 ? 16 SER A CB 1
539
+ ATOM 118 O OG . SER A 1 16 ? 18.010 47.287 9.407 1.00 69.08 ? 16 SER A OG 1
540
+ ATOM 119 N N . GLU A 1 17 ? 17.349 45.600 11.629 1.00 63.06 ? 17 GLU A N 1
541
+ ATOM 120 C CA . GLU A 1 17 ? 17.277 45.977 13.026 1.00 62.37 ? 17 GLU A CA 1
542
+ ATOM 121 C C . GLU A 1 17 ? 18.573 46.653 13.451 1.00 58.92 ? 17 GLU A C 1
543
+ ATOM 122 O O . GLU A 1 17 ? 19.652 46.209 13.104 1.00 62.06 ? 17 GLU A O 1
544
+ ATOM 123 C CB . GLU A 1 17 ? 17.040 44.748 13.841 1.00 66.04 ? 17 GLU A CB 1
545
+ ATOM 124 C CG . GLU A 1 17 ? 16.680 45.051 15.261 1.00 71.58 ? 17 GLU A CG 1
546
+ ATOM 125 C CD . GLU A 1 17 ? 16.893 43.872 16.147 1.00 74.36 ? 17 GLU A CD 1
547
+ ATOM 126 O OE1 . GLU A 1 17 ? 18.048 43.414 16.232 1.00 88.33 ? 17 GLU A OE1 1
548
+ ATOM 127 O OE2 . GLU A 1 17 ? 15.915 43.406 16.748 1.00 76.40 ? 17 GLU A OE2 1
549
+ ATOM 128 N N . THR A 1 18 ? 18.460 47.704 14.234 1.00 61.34 ? 18 THR A N 1
550
+ ATOM 129 C CA . THR A 1 18 ? 19.615 48.468 14.656 1.00 59.54 ? 18 THR A CA 1
551
+ ATOM 130 C C . THR A 1 18 ? 19.726 48.344 16.181 1.00 61.29 ? 18 THR A C 1
552
+ ATOM 131 O O . THR A 1 18 ? 18.722 48.355 16.894 1.00 62.29 ? 18 THR A O 1
553
+ ATOM 132 C CB . THR A 1 18 ? 19.466 49.905 14.200 1.00 57.86 ? 18 THR A CB 1
554
+ ATOM 133 O OG1 . THR A 1 18 ? 19.156 49.923 12.801 1.00 60.74 ? 18 THR A OG1 1
555
+ ATOM 134 C CG2 . THR A 1 18 ? 20.736 50.669 14.412 1.00 60.02 ? 18 THR A CG2 1
556
+ ATOM 135 N N . ILE A 1 19 ? 20.957 48.214 16.660 1.00 61.93 ? 19 ILE A N 1
557
+ ATOM 136 C CA . ILE A 1 19 ? 21.223 48.059 18.090 1.00 67.14 ? 19 ILE A CA 1
558
+ ATOM 137 C C . ILE A 1 19 ? 22.127 49.212 18.457 1.00 63.71 ? 19 ILE A C 1
559
+ ATOM 138 O O . ILE A 1 19 ? 23.061 49.554 17.706 1.00 61.59 ? 19 ILE A O 1
560
+ ATOM 139 C CB . ILE A 1 19 ? 21.832 46.689 18.463 1.00 68.82 ? 19 ILE A CB 1
561
+ ATOM 140 C CG1 . ILE A 1 19 ? 20.996 45.555 17.846 1.00 71.18 ? 19 ILE A CG1 1
562
+ ATOM 141 C CG2 . ILE A 1 19 ? 21.849 46.501 19.976 1.00 69.68 ? 19 ILE A CG2 1
563
+ ATOM 142 C CD1 . ILE A 1 19 ? 21.672 44.191 17.845 1.00 70.35 ? 19 ILE A CD1 1
564
+ ATOM 143 N N . PHE A 1 20 ? 21.809 49.844 19.580 1.00 59.64 ? 20 PHE A N 1
565
+ ATOM 144 C CA . PHE A 1 20 ? 22.553 50.987 20.044 1.00 60.47 ? 20 PHE A CA 1
566
+ ATOM 145 C C . PHE A 1 20 ? 22.989 50.760 21.480 1.00 65.84 ? 20 PHE A C 1
567
+ ATOM 146 O O . PHE A 1 20 ? 22.423 49.929 22.186 1.00 61.69 ? 20 PHE A O 1
568
+ ATOM 147 C CB . PHE A 1 20 ? 21.690 52.240 20.092 1.00 58.89 ? 20 PHE A CB 1
569
+ ATOM 148 C CG . PHE A 1 20 ? 20.879 52.529 18.864 1.00 57.38 ? 20 PHE A CG 1
570
+ ATOM 149 C CD1 . PHE A 1 20 ? 19.580 52.022 18.733 1.00 57.44 ? 20 PHE A CD1 1
571
+ ATOM 150 C CD2 . PHE A 1 20 ? 21.332 53.448 17.902 1.00 57.28 ? 20 PHE A CD2 1
572
+ ATOM 151 C CE1 . PHE A 1 20 ? 18.787 52.340 17.622 1.00 59.08 ? 20 PHE A CE1 1
573
+ ATOM 152 C CE2 . PHE A 1 20 ? 20.514 53.788 16.797 1.00 55.85 ? 20 PHE A CE2 1
574
+ ATOM 153 C CZ . PHE A 1 20 ? 19.256 53.211 16.643 1.00 53.14 ? 20 PHE A CZ 1
575
+ ATOM 154 N N . LYS A 1 21 ? 23.961 51.563 21.903 1.00 72.85 ? 21 LYS A N 1
576
+ ATOM 155 C CA . LYS A 1 21 ? 24.266 51.778 23.315 1.00 77.38 ? 21 LYS A CA 1
577
+ ATOM 156 C C . LYS A 1 21 ? 23.738 53.178 23.661 1.00 84.03 ? 21 LYS A C 1
578
+ ATOM 157 O O . LYS A 1 21 ? 23.621 54.039 22.776 1.00 82.66 ? 21 LYS A O 1
579
+ ATOM 158 C CB . LYS A 1 21 ? 25.766 51.703 23.541 1.00 76.11 ? 21 LYS A CB 1
580
+ ATOM 159 C CG . LYS A 1 21 ? 26.374 50.333 23.237 1.00 82.66 ? 21 LYS A CG 1
581
+ ATOM 160 C CD . LYS A 1 21 ? 27.888 50.341 23.406 1.00 85.86 ? 21 LYS A CD 1
582
+ ATOM 161 C CE . LYS A 1 21 ? 28.490 48.941 23.375 1.00 87.47 ? 21 LYS A CE 1
583
+ ATOM 162 N NZ . LYS A 1 21 ? 29.969 49.014 23.532 1.00 88.37 ? 21 LYS A NZ 1
584
+ ATOM 163 N N . MET A 1 22 ? 23.422 53.413 24.935 1.00 89.66 ? 22 MET A N 1
585
+ ATOM 164 C CA . MET A 1 22 ? 22.902 54.706 25.364 1.00 92.81 ? 22 MET A CA 1
586
+ ATOM 165 C C . MET A 1 22 ? 23.558 55.278 26.576 1.00 98.94 ? 22 MET A C 1
587
+ ATOM 166 O O . MET A 1 22 ? 23.398 54.762 27.676 1.00 101.36 ? 22 MET A O 1
588
+ ATOM 167 C CB . MET A 1 22 ? 21.429 54.568 25.617 1.00 90.78 ? 22 MET A CB 1
589
+ ATOM 168 C CG . MET A 1 22 ? 20.746 55.920 25.510 1.00 91.39 ? 22 MET A CG 1
590
+ ATOM 169 S SD . MET A 1 22 ? 19.002 55.697 26.363 0.75 94.97 ? 22 MET A SD 1
591
+ ATOM 170 C CE . MET A 1 22 ? 18.276 54.259 25.326 1.00 92.10 ? 22 MET A CE 1
592
+ ATOM 171 N N . GLU A 1 23 ? 24.289 56.373 26.372 1.00 104.33 ? 23 GLU A N 1
593
+ ATOM 172 C CA . GLU A 1 23 ? 24.812 57.196 27.463 1.00 104.73 ? 23 GLU A CA 1
594
+ ATOM 173 C C . GLU A 1 23 ? 23.759 58.234 27.838 1.00 105.49 ? 23 GLU A C 1
595
+ ATOM 174 O O . GLU A 1 23 ? 23.732 59.336 27.289 1.00 109.82 ? 23 GLU A O 1
596
+ ATOM 175 C CB . GLU A 1 23 ? 26.123 57.872 27.045 1.00 106.12 ? 23 GLU A CB 1
597
+ ATOM 176 C CG . GLU A 1 23 ? 26.858 58.575 28.175 1.00 109.12 ? 23 GLU A CG 1
598
+ ATOM 177 C CD . GLU A 1 23 ? 27.363 57.630 29.259 1.00 111.59 ? 23 GLU A CD 1
599
+ ATOM 178 O OE1 . GLU A 1 23 ? 27.520 56.416 28.998 1.00 103.68 ? 23 GLU A OE1 1
600
+ ATOM 179 O OE2 . GLU A 1 23 ? 27.602 58.109 30.388 1.00 116.88 ? 23 GLU A OE2 1
601
+ ATOM 180 N N . GLY A 1 24 ? 22.871 57.869 28.761 1.00 100.25 ? 24 GLY A N 1
602
+ ATOM 181 C CA . GLY A 1 24 ? 21.842 58.787 29.275 1.00 94.83 ? 24 GLY A CA 1
603
+ ATOM 182 C C . GLY A 1 24 ? 20.597 58.863 28.395 1.00 95.55 ? 24 GLY A C 1
604
+ ATOM 183 O O . GLY A 1 24 ? 19.681 58.066 28.562 1.00 92.15 ? 24 GLY A O 1
605
+ ATOM 184 N N . THR A 1 25 ? 20.556 59.843 27.488 1.00 95.41 ? 25 THR A N 1
606
+ ATOM 185 C CA . THR A 1 25 ? 19.494 59.966 26.459 1.00 91.40 ? 25 THR A CA 1
607
+ ATOM 186 C C . THR A 1 25 ? 20.007 59.885 25.004 1.00 89.51 ? 25 THR A C 1
608
+ ATOM 187 O O . THR A 1 25 ? 19.216 59.685 24.069 1.00 75.93 ? 25 THR A O 1
609
+ ATOM 188 C CB . THR A 1 25 ? 18.680 61.268 26.677 1.00 97.60 ? 25 THR A CB 1
610
+ ATOM 189 O OG1 . THR A 1 25 ? 17.494 61.265 25.867 1.00 89.24 ? 25 THR A OG1 1
611
+ ATOM 190 C CG2 . THR A 1 25 ? 19.508 62.531 26.360 1.00 98.68 ? 25 THR A CG2 1
612
+ ATOM 191 N N . MET A 1 26 ? 21.315 60.036 24.827 1.00 86.61 ? 26 MET A N 1
613
+ ATOM 192 C CA . MET A 1 26 ? 21.902 59.989 23.525 1.00 91.94 ? 26 MET A CA 1
614
+ ATOM 193 C C . MET A 1 26 ? 22.246 58.552 23.183 1.00 88.11 ? 26 MET A C 1
615
+ ATOM 194 O O . MET A 1 26 ? 22.976 57.860 23.923 1.00 83.75 ? 26 MET A O 1
616
+ ATOM 195 C CB . MET A 1 26 ? 23.129 60.879 23.489 1.00 97.53 ? 26 MET A CB 1
617
+ ATOM 196 C CG . MET A 1 26 ? 23.465 61.202 22.044 1.00 114.21 ? 26 MET A CG 1
618
+ ATOM 197 S SD . MET A 1 26 ? 25.392 61.611 21.911 0.75 134.25 ? 26 MET A SD 1
619
+ ATOM 198 C CE . MET A 1 26 ? 25.523 61.503 19.945 1.00 125.66 ? 26 MET A CE 1
620
+ ATOM 199 N N . LEU A 1 27 ? 21.728 58.124 22.031 1.00 77.17 ? 27 LEU A N 1
621
+ ATOM 200 C CA . LEU A 1 27 ? 21.983 56.804 21.455 1.00 73.86 ? 27 LEU A CA 1
622
+ ATOM 201 C C . LEU A 1 27 ? 23.210 56.838 20.591 1.00 73.76 ? 27 LEU A C 1
623
+ ATOM 202 O O . LEU A 1 27 ? 23.444 57.792 19.854 1.00 77.64 ? 27 LEU A O 1
624
+ ATOM 203 C CB . LEU A 1 27 ? 20.843 56.373 20.531 1.00 71.21 ? 27 LEU A CB 1
625
+ ATOM 204 C CG . LEU A 1 27 ? 19.475 56.079 21.107 1.00 70.05 ? 27 LEU A CG 1
626
+ ATOM 205 C CD1 . LEU A 1 27 ? 18.454 55.900 19.993 1.00 69.58 ? 27 LEU A CD1 1
627
+ ATOM 206 C CD2 . LEU A 1 27 ? 19.529 54.834 21.974 1.00 78.20 ? 27 LEU A CD2 1
628
+ ATOM 207 N N . THR A 1 28 ? 23.950 55.752 20.609 1.00 76.13 ? 28 THR A N 1
629
+ ATOM 208 C CA . THR A 1 28 ? 25.117 55.656 19.768 1.00 79.19 ? 28 THR A CA 1
630
+ ATOM 209 C C . THR A 1 28 ? 25.076 54.310 19.080 1.00 78.76 ? 28 THR A C 1
631
+ ATOM 210 O O . THR A 1 28 ? 24.856 53.267 19.700 1.00 86.20 ? 28 THR A O 1
632
+ ATOM 211 C CB . THR A 1 28 ? 26.403 55.950 20.548 1.00 84.53 ? 28 THR A CB 1
633
+ ATOM 212 O OG1 . THR A 1 28 ? 27.530 55.652 19.728 1.00 81.73 ? 28 THR A OG1 1
634
+ ATOM 213 C CG2 . THR A 1 28 ? 26.474 55.164 21.854 1.00 88.85 ? 28 THR A CG2 1
635
+ ATOM 214 N N . ASN A 1 29 ? 25.244 54.354 17.770 1.00 76.82 ? 29 ASN A N 1
636
+ ATOM 215 C CA . ASN A 1 29 ? 25.165 53.164 16.941 1.00 70.77 ? 29 ASN A CA 1
637
+ ATOM 216 C C . ASN A 1 29 ? 26.138 52.091 17.366 1.00 70.82 ? 29 ASN A C 1
638
+ ATOM 217 O O . ASN A 1 29 ? 27.290 52.405 17.662 1.00 72.05 ? 29 ASN A O 1
639
+ ATOM 218 C CB . ASN A 1 29 ? 25.468 53.517 15.480 1.00 63.74 ? 29 ASN A CB 1
640
+ ATOM 219 C CG . ASN A 1 29 ? 24.316 54.196 14.789 1.00 63.53 ? 29 ASN A CG 1
641
+ ATOM 220 O OD1 . ASN A 1 29 ? 23.191 54.178 15.282 1.00 66.53 ? 29 ASN A OD1 1
642
+ ATOM 221 N ND2 . ASN A 1 29 ? 24.580 54.795 13.620 1.00 60.00 ? 29 ASN A ND2 1
643
+ ATOM 222 N N . TYR A 1 30 ? 25.699 50.831 17.330 1.00 69.61 ? 30 TYR A N 1
644
+ ATOM 223 C CA . TYR A 1 30 ? 26.562 49.715 17.708 1.00 70.38 ? 30 TYR A CA 1
645
+ ATOM 224 C C . TYR A 1 30 ? 26.643 48.555 16.727 1.00 69.81 ? 30 TYR A C 1
646
+ ATOM 225 O O . TYR A 1 30 ? 27.742 48.158 16.310 1.00 63.24 ? 30 TYR A O 1
647
+ ATOM 226 C CB . TYR A 1 30 ? 26.100 49.199 19.039 1.00 73.92 ? 30 TYR A CB 1
648
+ ATOM 227 C CG . TYR A 1 30 ? 26.960 48.120 19.576 1.00 77.59 ? 30 TYR A CG 1
649
+ ATOM 228 C CD1 . TYR A 1 30 ? 28.355 48.269 19.644 1.00 81.68 ? 30 TYR A CD1 1
650
+ ATOM 229 C CD2 . TYR A 1 30 ? 26.399 46.943 20.035 1.00 84.54 ? 30 TYR A CD2 1
651
+ ATOM 230 C CE1 . TYR A 1 30 ? 29.152 47.269 20.152 1.00 84.14 ? 30 TYR A CE1 1
652
+ ATOM 231 C CE2 . TYR A 1 30 ? 27.191 45.944 20.569 1.00 83.68 ? 30 TYR A CE2 1
653
+ ATOM 232 C CZ . TYR A 1 30 ? 28.562 46.112 20.627 1.00 83.88 ? 30 TYR A CZ 1
654
+ ATOM 233 O OH . TYR A 1 30 ? 29.351 45.120 21.138 1.00 87.90 ? 30 TYR A OH 1
655
+ ATOM 234 N N . MET A 1 31 ? 25.484 48.017 16.378 1.00 67.01 ? 31 MET A N 1
656
+ ATOM 235 C CA . MET A 1 31 ? 25.397 46.936 15.416 1.00 66.55 ? 31 MET A CA 1
657
+ ATOM 236 C C . MET A 1 31 ? 24.131 47.046 14.597 1.00 64.42 ? 31 MET A C 1
658
+ ATOM 237 O O . MET A 1 31 ? 23.142 47.568 15.067 1.00 66.96 ? 31 MET A O 1
659
+ ATOM 238 C CB . MET A 1 31 ? 25.534 45.696 16.299 1.00 67.22 ? 31 MET A CB 1
660
+ ATOM 239 C CG . MET A 1 31 ? 25.194 44.419 15.573 1.00 71.43 ? 31 MET A CG 1
661
+ ATOM 240 S SD . MET A 1 31 ? 26.162 42.825 16.189 0.75 83.81 ? 31 MET A SD 1
662
+ ATOM 241 C CE . MET A 1 31 ? 25.129 41.966 14.828 1.00 75.83 ? 31 MET A CE 1
663
+ ATOM 242 N N . LYS A 1 32 ? 24.137 46.524 13.375 1.00 66.23 ? 32 LYS A N 1
664
+ ATOM 243 C CA . LYS A 1 32 ? 22.953 46.571 12.482 1.00 59.64 ? 32 LYS A CA 1
665
+ ATOM 244 C C . LYS A 1 32 ? 22.821 45.236 11.818 1.00 59.28 ? 32 LYS A C 1
666
+ ATOM 245 O O . LYS A 1 32 ? 23.792 44.719 11.256 1.00 60.60 ? 32 LYS A O 1
667
+ ATOM 246 C CB . LYS A 1 32 ? 23.146 47.644 11.425 1.00 63.17 ? 32 LYS A CB 1
668
+ ATOM 247 C CG . LYS A 1 32 ? 21.902 47.994 10.616 1.00 63.75 ? 32 LYS A CG 1
669
+ ATOM 248 C CD . LYS A 1 32 ? 22.255 49.041 9.585 1.00 61.55 ? 32 LYS A CD 1
670
+ ATOM 249 C CE . LYS A 1 32 ? 21.087 49.352 8.672 1.00 68.15 ? 32 LYS A CE 1
671
+ ATOM 250 N NZ . LYS A 1 32 ? 21.563 49.835 7.352 1.00 71.20 ? 32 LYS A NZ 1
672
+ ATOM 251 N N . HIS A 1 33 ? 21.637 44.650 11.905 1.00 57.58 ? 33 HIS A N 1
673
+ ATOM 252 C CA . HIS A 1 33 ? 21.383 43.361 11.281 1.00 55.90 ? 33 HIS A CA 1
674
+ ATOM 253 C C . HIS A 1 33 ? 20.521 43.610 10.061 1.00 53.24 ? 33 HIS A C 1
675
+ ATOM 254 O O . HIS A 1 33 ? 19.456 44.188 10.186 1.00 55.26 ? 33 HIS A O 1
676
+ ATOM 255 C CB . HIS A 1 33 ? 20.593 42.470 12.196 1.00 59.55 ? 33 HIS A CB 1
677
+ ATOM 256 C CG . HIS A 1 33 ? 21.387 41.778 13.248 1.00 59.39 ? 33 HIS A CG 1
678
+ ATOM 257 N ND1 . HIS A 1 33 ? 22.162 40.677 12.972 1.00 58.86 ? 33 HIS A ND1 1
679
+ ATOM 258 C CD2 . HIS A 1 33 ? 21.429 41.946 14.594 1.00 61.49 ? 33 HIS A CD2 1
680
+ ATOM 259 C CE1 . HIS A 1 33 ? 22.671 40.211 14.101 1.00 62.08 ? 33 HIS A CE1 1
681
+ ATOM 260 N NE2 . HIS A 1 33 ? 22.238 40.961 15.104 1.00 57.18 ? 33 HIS A NE2 1
682
+ ATOM 261 N N . ASN A 1 34 ? 20.948 43.161 8.900 1.00 52.76 ? 34 ASN A N 1
683
+ ATOM 262 C CA . ASN A 1 34 ? 20.134 43.294 7.675 1.00 44.68 ? 34 ASN A CA 1
684
+ ATOM 263 C C . ASN A 1 34 ? 19.717 41.888 7.290 1.00 44.36 ? 34 ASN A C 1
685
+ ATOM 264 O O . ASN A 1 34 ? 20.563 41.037 7.118 1.00 39.81 ? 34 ASN A O 1
686
+ ATOM 265 C CB . ASN A 1 34 ? 20.980 43.942 6.615 1.00 45.53 ? 34 ASN A CB 1
687
+ ATOM 266 C CG . ASN A 1 34 ? 21.507 45.315 7.062 1.00 49.22 ? 34 ASN A CG 1
688
+ ATOM 267 O OD1 . ASN A 1 34 ? 20.722 46.178 7.497 1.00 60.07 ? 34 ASN A OD1 1
689
+ ATOM 268 N ND2 . ASN A 1 34 ? 22.823 45.523 6.983 1.00 47.05 ? 34 ASN A ND2 1
690
+ ATOM 269 N N . TYR A 1 35 ? 18.406 41.655 7.206 1.00 47.62 ? 35 TYR A N 1
691
+ ATOM 270 C CA . TYR A 1 35 ? 17.814 40.347 6.956 1.00 49.09 ? 35 TYR A CA 1
692
+ ATOM 271 C C . TYR A 1 35 ? 17.203 40.225 5.551 1.00 48.11 ? 35 TYR A C 1
693
+ ATOM 272 O O . TYR A 1 35 ? 16.651 41.193 5.066 1.00 50.36 ? 35 TYR A O 1
694
+ ATOM 273 C CB . TYR A 1 35 ? 16.666 40.145 7.936 1.00 51.54 ? 35 TYR A CB 1
695
+ ATOM 274 C CG . TYR A 1 35 ? 17.060 40.287 9.354 1.00 52.34 ? 35 TYR A CG 1
696
+ ATOM 275 C CD1 . TYR A 1 35 ? 17.812 39.310 9.970 1.00 56.36 ? 35 TYR A CD1 1
697
+ ATOM 276 C CD2 . TYR A 1 35 ? 16.658 41.386 10.102 1.00 56.55 ? 35 TYR A CD2 1
698
+ ATOM 277 C CE1 . TYR A 1 35 ? 18.176 39.425 11.305 1.00 60.27 ? 35 TYR A CE1 1
699
+ ATOM 278 C CE2 . TYR A 1 35 ? 17.009 41.526 11.433 1.00 54.51 ? 35 TYR A CE2 1
700
+ ATOM 279 C CZ . TYR A 1 35 ? 17.772 40.542 12.034 1.00 60.94 ? 35 TYR A CZ 1
701
+ ATOM 280 O OH . TYR A 1 35 ? 18.151 40.673 13.347 1.00 59.08 ? 35 TYR A OH 1
702
+ ATOM 281 N N . LYS A 1 36 ? 17.269 39.034 4.943 1.00 48.88 ? 36 LYS A N 1
703
+ ATOM 282 C CA . LYS A 1 36 ? 16.655 38.739 3.630 1.00 47.93 ? 36 LYS A CA 1
704
+ ATOM 283 C C . LYS A 1 36 ? 15.808 37.518 3.813 1.00 45.28 ? 36 LYS A C 1
705
+ ATOM 284 O O . LYS A 1 36 ? 16.104 36.690 4.659 1.00 48.74 ? 36 LYS A O 1
706
+ ATOM 285 C CB . LYS A 1 36 ? 17.710 38.443 2.558 1.00 51.83 ? 36 LYS A CB 1
707
+ ATOM 286 C CG . LYS A 1 36 ? 18.833 39.465 2.534 1.00 59.48 ? 36 LYS A CG 1
708
+ ATOM 287 C CD . LYS A 1 36 ? 19.585 39.608 1.217 1.00 63.17 ? 36 LYS A CD 1
709
+ ATOM 288 C CE . LYS A 1 36 ? 20.209 41.019 1.113 1.00 65.75 ? 36 LYS A CE 1
710
+ ATOM 289 N NZ . LYS A 1 36 ? 19.290 42.203 1.318 1.00 65.06 ? 36 LYS A NZ 1
711
+ ATOM 290 N N . TYR A 1 37 ? 14.765 37.380 3.013 1.00 48.61 ? 37 TYR A N 1
712
+ ATOM 291 C CA . TYR A 1 37 ? 13.823 36.245 3.144 1.00 52.34 ? 37 TYR A CA 1
713
+ ATOM 292 C C . TYR A 1 37 ? 13.631 35.614 1.784 1.00 50.58 ? 37 TYR A C 1
714
+ ATOM 293 O O . TYR A 1 37 ? 13.941 36.241 0.787 1.00 52.95 ? 37 TYR A O 1
715
+ ATOM 294 C CB . TYR A 1 37 ? 12.495 36.744 3.748 1.00 56.30 ? 37 TYR A CB 1
716
+ ATOM 295 C CG . TYR A 1 37 ? 12.644 37.276 5.182 1.00 55.10 ? 37 TYR A CG 1
717
+ ATOM 296 C CD1 . TYR A 1 37 ? 13.199 38.533 5.434 1.00 60.55 ? 37 TYR A CD1 1
718
+ ATOM 297 C CD2 . TYR A 1 37 ? 12.259 36.515 6.283 1.00 60.36 ? 37 TYR A CD2 1
719
+ ATOM 298 C CE1 . TYR A 1 37 ? 13.378 39.018 6.739 1.00 59.94 ? 37 TYR A CE1 1
720
+ ATOM 299 C CE2 . TYR A 1 37 ? 12.438 36.989 7.598 1.00 59.45 ? 37 TYR A CE2 1
721
+ ATOM 300 C CZ . TYR A 1 37 ? 12.998 38.240 7.817 1.00 58.81 ? 37 TYR A CZ 1
722
+ ATOM 301 O OH . TYR A 1 37 ? 13.171 38.724 9.097 1.00 65.77 ? 37 TYR A OH 1
723
+ ATOM 302 N N . ASP A 1 38 ? 13.181 34.368 1.734 1.00 54.08 ? 38 ASP A N 1
724
+ ATOM 303 C CA . ASP A 1 38 ? 12.830 33.733 0.452 1.00 59.54 ? 38 ASP A CA 1
725
+ ATOM 304 C C . ASP A 1 38 ? 11.393 34.102 0.066 1.00 58.86 ? 38 ASP A C 1
726
+ ATOM 305 O O . ASP A 1 38 ? 10.798 34.933 0.708 1.00 57.80 ? 38 ASP A O 1
727
+ ATOM 306 C CB . ASP A 1 38 ? 13.047 32.223 0.520 1.00 62.03 ? 38 ASP A CB 1
728
+ ATOM 307 C CG . ASP A 1 38 ? 12.212 31.540 1.579 1.00 65.56 ? 38 ASP A CG 1
729
+ ATOM 308 O OD1 . ASP A 1 38 ? 11.041 31.928 1.856 1.00 66.94 ? 38 ASP A OD1 1
730
+ ATOM 309 O OD2 . ASP A 1 38 ? 12.773 30.611 2.161 1.00 60.82 ? 38 ASP A OD2 1
731
+ ATOM 310 N N . ALA A 1 39 ? 10.837 33.460 -0.960 1.00 68.81 ? 39 ALA A N 1
732
+ ATOM 311 C CA . ALA A 1 39 ? 9.443 33.693 -1.404 1.00 72.86 ? 39 ALA A CA 1
733
+ ATOM 312 C C . ALA A 1 39 ? 8.429 33.172 -0.390 1.00 78.59 ? 39 ALA A C 1
734
+ ATOM 313 O O . ALA A 1 39 ? 7.487 33.887 -0.024 1.00 78.98 ? 39 ALA A O 1
735
+ ATOM 314 C CB . ALA A 1 39 ? 9.189 33.066 -2.767 1.00 70.05 ? 39 ALA A CB 1
736
+ ATOM 315 N N . ASN A 1 40 ? 8.676 31.968 0.123 1.00 81.26 ? 40 ASN A N 1
737
+ ATOM 316 C CA . ASN A 1 40 ? 7.899 31.443 1.259 1.00 83.37 ? 40 ASN A CA 1
738
+ ATOM 317 C C . ASN A 1 40 ? 8.070 32.237 2.552 1.00 81.11 ? 40 ASN A C 1
739
+ ATOM 318 O O . ASN A 1 40 ? 7.437 31.920 3.546 1.00 92.62 ? 40 ASN A O 1
740
+ ATOM 319 C CB . ASN A 1 40 ? 8.245 29.980 1.527 1.00 84.78 ? 40 ASN A CB 1
741
+ ATOM 320 C CG . ASN A 1 40 ? 7.803 29.066 0.415 1.00 88.42 ? 40 ASN A CG 1
742
+ ATOM 321 O OD1 . ASN A 1 40 ? 6.846 29.356 -0.311 1.00 93.42 ? 40 ASN A OD1 1
743
+ ATOM 322 N ND2 . ASN A 1 40 ? 8.495 27.944 0.269 1.00 95.02 ? 40 ASN A ND2 1
744
+ ATOM 323 N N . ASN A 1 41 ? 8.974 33.219 2.561 1.00 75.09 ? 41 ASN A N 1
745
+ ATOM 324 C CA . ASN A 1 41 ? 9.099 34.237 3.629 1.00 71.11 ? 41 ASN A CA 1
746
+ ATOM 325 C C . ASN A 1 41 ? 9.801 33.816 4.919 1.00 66.62 ? 41 ASN A C 1
747
+ ATOM 326 O O . ASN A 1 41 ? 9.549 34.359 5.990 1.00 72.50 ? 41 ASN A O 1
748
+ ATOM 327 C CB . ASN A 1 41 ? 7.748 34.953 3.919 1.00 73.12 ? 41 ASN A CB 1
749
+ ATOM 328 C CG . ASN A 1 41 ? 7.776 36.427 3.534 1.00 76.25 ? 41 ASN A CG 1
750
+ ATOM 329 O OD1 . ASN A 1 41 ? 8.365 36.823 2.517 1.00 79.64 ? 41 ASN A OD1 1
751
+ ATOM 330 N ND2 . ASN A 1 41 ? 7.133 37.247 4.330 1.00 78.31 ? 41 ASN A ND2 1
752
+ ATOM 331 N N . GLN A 1 42 ? 10.689 32.840 4.759 1.00 66.36 ? 42 GLN A N 1
753
+ ATOM 332 C CA . GLN A 1 42 ? 11.608 32.334 5.762 1.00 60.99 ? 42 GLN A CA 1
754
+ ATOM 333 C C . GLN A 1 42 ? 12.933 33.040 5.572 1.00 62.73 ? 42 GLN A C 1
755
+ ATOM 334 O O . GLN A 1 42 ? 13.302 33.421 4.439 1.00 56.30 ? 42 GLN A O 1
756
+ ATOM 335 C CB . GLN A 1 42 ? 11.805 30.852 5.573 1.00 65.16 ? 42 GLN A CB 1
757
+ ATOM 336 C CG . GLN A 1 42 ? 10.578 30.030 5.921 1.00 67.74 ? 42 GLN A CG 1
758
+ ATOM 337 C CD . GLN A 1 42 ? 10.777 28.571 5.590 1.00 73.04 ? 42 GLN A CD 1
759
+ ATOM 338 O OE1 . GLN A 1 42 ? 11.304 28.228 4.512 1.00 81.56 ? 42 GLN A OE1 1
760
+ ATOM 339 N NE2 . GLN A 1 42 ? 10.351 27.695 6.487 1.00 76.06 ? 42 GLN A NE2 1
761
+ ATOM 340 N N . ARG A 1 43 ? 13.617 33.231 6.697 1.00 56.62 ? 43 ARG A N 1
762
+ ATOM 341 C CA . ARG A 1 43 ? 14.771 34.058 6.723 1.00 55.51 ? 43 ARG A CA 1
763
+ ATOM 342 C C . ARG A 1 43 ? 15.942 33.346 6.072 1.00 54.10 ? 43 ARG A C 1
764
+ ATOM 343 O O . ARG A 1 43 ? 16.221 32.197 6.383 1.00 49.76 ? 43 ARG A O 1
765
+ ATOM 344 C CB . ARG A 1 43 ? 15.137 34.424 8.150 1.00 59.66 ? 43 ARG A CB 1
766
+ ATOM 345 C CG . ARG A 1 43 ? 16.291 35.418 8.229 1.00 58.77 ? 43 ARG A CG 1
767
+ ATOM 346 C CD . ARG A 1 43 ? 16.468 35.891 9.652 1.00 64.10 ? 43 ARG A CD 1
768
+ ATOM 347 N NE . ARG A 1 43 ? 15.436 36.880 10.019 1.00 65.06 ? 43 ARG A NE 1
769
+ ATOM 348 C CZ . ARG A 1 43 ? 15.102 37.234 11.267 1.00 66.93 ? 43 ARG A CZ 1
770
+ ATOM 349 N NH1 . ARG A 1 43 ? 15.680 36.663 12.335 1.00 66.66 ? 43 ARG A NH1 1
771
+ ATOM 350 N NH2 . ARG A 1 43 ? 14.148 38.155 11.460 1.00 61.07 ? 43 ARG A NH2 1
772
+ ATOM 351 N N . THR A 1 44 ? 16.671 34.081 5.240 1.00 54.08 ? 44 THR A N 1
773
+ ATOM 352 C CA . THR A 1 44 ? 17.785 33.522 4.466 1.00 53.77 ? 44 THR A CA 1
774
+ ATOM 353 C C . THR A 1 44 ? 19.142 34.070 4.803 1.00 49.70 ? 44 THR A C 1
775
+ ATOM 354 O O . THR A 1 44 ? 20.117 33.327 4.759 1.00 57.60 ? 44 THR A O 1
776
+ ATOM 355 C CB . THR A 1 44 ? 17.470 33.691 2.991 1.00 53.94 ? 44 THR A CB 1
777
+ ATOM 356 O OG1 . THR A 1 44 ? 16.612 32.602 2.658 1.00 49.77 ? 44 THR A OG1 1
778
+ ATOM 357 C CG2 . THR A 1 44 ? 18.693 33.607 2.105 1.00 63.79 ? 44 THR A CG2 1
779
+ ATOM 358 N N . GLU A 1 45 ? 19.226 35.352 5.092 1.00 48.70 ? 45 GLU A N 1
780
+ ATOM 359 C CA . GLU A 1 45 ? 20.482 35.966 5.529 1.00 46.23 ? 45 GLU A CA 1
781
+ ATOM 360 C C . GLU A 1 45 ? 20.255 36.689 6.826 1.00 45.08 ? 45 GLU A C 1
782
+ ATOM 361 O O . GLU A 1 45 ? 19.139 36.909 7.257 1.00 44.61 ? 45 GLU A O 1
783
+ ATOM 362 C CB . GLU A 1 45 ? 20.954 36.973 4.500 1.00 46.96 ? 45 GLU A CB 1
784
+ ATOM 363 C CG . GLU A 1 45 ? 22.453 37.220 4.415 1.00 47.21 ? 45 GLU A CG 1
785
+ ATOM 364 C CD . GLU A 1 45 ? 22.759 37.932 3.122 1.00 47.81 ? 45 GLU A CD 1
786
+ ATOM 365 O OE1 . GLU A 1 45 ? 22.603 37.304 2.034 1.00 57.10 ? 45 GLU A OE1 1
787
+ ATOM 366 O OE2 . GLU A 1 45 ? 23.064 39.134 3.167 1.00 52.74 ? 45 GLU A OE2 1
788
+ ATOM 367 N N . ASP A 1 46 ? 21.352 37.050 7.446 1.00 46.95 ? 46 ASP A N 1
789
+ ATOM 368 C CA . ASP A 1 46 ? 21.361 37.881 8.627 1.00 49.43 ? 46 ASP A CA 1
790
+ ATOM 369 C C . ASP A 1 46 ? 22.729 38.494 8.639 1.00 44.01 ? 46 ASP A C 1
791
+ ATOM 370 O O . ASP A 1 46 ? 23.618 37.983 9.290 1.00 45.80 ? 46 ASP A O 1
792
+ ATOM 371 C CB . ASP A 1 46 ? 21.107 37.021 9.900 1.00 52.40 ? 46 ASP A CB 1
793
+ ATOM 372 C CG . ASP A 1 46 ? 21.331 37.788 11.212 1.00 57.66 ? 46 ASP A CG 1
794
+ ATOM 373 O OD1 . ASP A 1 46 ? 21.802 38.942 11.165 1.00 59.60 ? 46 ASP A OD1 1
795
+ ATOM 374 O OD2 . ASP A 1 46 ? 21.016 37.233 12.302 1.00 64.62 ? 46 ASP A OD2 1
796
+ ATOM 375 N N . GLU A 1 47 ? 22.882 39.572 7.907 1.00 42.44 ? 47 GLU A N 1
797
+ ATOM 376 C CA . GLU A 1 47 ? 24.152 40.276 7.824 1.00 46.47 ? 47 GLU A CA 1
798
+ ATOM 377 C C . GLU A 1 47 ? 24.324 41.146 9.058 1.00 46.26 ? 47 GLU A C 1
799
+ ATOM 378 O O . GLU A 1 47 ? 23.479 41.979 9.357 1.00 55.65 ? 47 GLU A O 1
800
+ ATOM 379 C CB . GLU A 1 47 ? 24.166 41.146 6.574 1.00 47.90 ? 47 GLU A CB 1
801
+ ATOM 380 C CG . GLU A 1 47 ? 25.521 41.712 6.252 1.00 54.01 ? 47 GLU A CG 1
802
+ ATOM 381 C CD . GLU A 1 47 ? 25.485 42.700 5.111 1.00 57.49 ? 47 GLU A CD 1
803
+ ATOM 382 O OE1 . GLU A 1 47 ? 24.481 42.764 4.362 1.00 75.36 ? 47 GLU A OE1 1
804
+ ATOM 383 O OE2 . GLU A 1 47 ? 26.476 43.414 4.943 1.00 57.32 ? 47 GLU A OE2 1
805
+ ATOM 384 N N . ALA A 1 48 ? 25.445 40.989 9.733 1.00 51.18 ? 48 ALA A N 1
806
+ ATOM 385 C CA . ALA A 1 48 ? 25.735 41.644 11.031 1.00 46.96 ? 48 ALA A CA 1
807
+ ATOM 386 C C . ALA A 1 48 ? 26.815 42.667 10.824 1.00 48.89 ? 48 ALA A C 1
808
+ ATOM 387 O O . ALA A 1 48 ? 27.969 42.291 10.625 1.00 53.03 ? 48 ALA A O 1
809
+ ATOM 388 C CB . ALA A 1 48 ? 26.227 40.599 11.994 1.00 49.21 ? 48 ALA A CB 1
810
+ ATOM 389 N N . GLN A 1 49 ? 26.453 43.947 10.820 1.00 51.29 ? 49 GLN A N 1
811
+ ATOM 390 C CA . GLN A 1 49 ? 27.420 45.019 10.610 1.00 52.86 ? 49 GLN A CA 1
812
+ ATOM 391 C C . GLN A 1 49 ? 27.723 45.694 11.919 1.00 58.86 ? 49 GLN A C 1
813
+ ATOM 392 O O . GLN A 1 49 ? 26.862 45.768 12.783 1.00 61.58 ? 49 GLN A O 1
814
+ ATOM 393 C CB . GLN A 1 49 ? 26.873 46.019 9.617 1.00 50.99 ? 49 GLN A CB 1
815
+ ATOM 394 C CG . GLN A 1 49 ? 26.833 45.474 8.223 1.00 53.17 ? 49 GLN A CG 1
816
+ ATOM 395 C CD . GLN A 1 49 ? 26.358 46.513 7.222 1.00 56.16 ? 49 GLN A CD 1
817
+ ATOM 396 O OE1 . GLN A 1 49 ? 25.312 47.107 7.404 1.00 57.56 ? 49 GLN A OE1 1
818
+ ATOM 397 N NE2 . GLN A 1 49 ? 27.121 46.716 6.145 1.00 60.44 ? 49 GLN A NE2 1
819
+ ATOM 398 N N . LYS A 1 50 ? 28.934 46.211 12.035 1.00 62.85 ? 50 LYS A N 1
820
+ ATOM 399 C CA . LYS A 1 50 ? 29.380 46.916 13.221 1.00 74.76 ? 50 LYS A CA 1
821
+ ATOM 400 C C . LYS A 1 50 ? 29.595 48.395 12.912 1.00 73.45 ? 50 LYS A C 1
822
+ ATOM 401 O O . LYS A 1 50 ? 30.004 48.768 11.811 1.00 72.45 ? 50 LYS A O 1
823
+ ATOM 402 C CB . LYS A 1 50 ? 30.668 46.272 13.750 1.00 88.79 ? 50 LYS A CB 1
824
+ ATOM 403 C CG . LYS A 1 50 ? 31.795 46.045 12.722 1.00 101.53 ? 50 LYS A CG 1
825
+ ATOM 404 C CD . LYS A 1 50 ? 33.206 46.006 13.328 1.00 108.54 ? 50 LYS A CD 1
826
+ ATOM 405 C CE . LYS A 1 50 ? 33.548 47.313 14.050 1.00 113.62 ? 50 LYS A CE 1
827
+ ATOM 406 N NZ . LYS A 1 50 ? 35.007 47.582 14.147 1.00 120.41 ? 50 LYS A NZ 1
828
+ ATOM 407 N N . TRP A 1 51 ? 29.336 49.240 13.896 1.00 71.48 ? 51 TRP A N 1
829
+ ATOM 408 C CA . TRP A 1 51 ? 29.524 50.673 13.705 1.00 70.95 ? 51 TRP A CA 1
830
+ ATOM 409 C C . TRP A 1 51 ? 30.973 51.018 14.013 1.00 69.19 ? 51 TRP A C 1
831
+ ATOM 410 O O . TRP A 1 51 ? 31.459 50.718 15.113 1.00 60.18 ? 51 TRP A O 1
832
+ ATOM 411 C CB . TRP A 1 51 ? 28.580 51.460 14.600 1.00 71.20 ? 51 TRP A CB 1
833
+ ATOM 412 C CG . TRP A 1 51 ? 28.679 52.929 14.400 1.00 69.16 ? 51 TRP A CG 1
834
+ ATOM 413 C CD1 . TRP A 1 51 ? 29.178 53.832 15.284 1.00 70.16 ? 51 TRP A CD1 1
835
+ ATOM 414 C CD2 . TRP A 1 51 ? 28.300 53.660 13.240 1.00 67.89 ? 51 TRP A CD2 1
836
+ ATOM 415 N NE1 . TRP A 1 51 ? 29.122 55.095 14.757 1.00 65.63 ? 51 TRP A NE1 1
837
+ ATOM 416 C CE2 . TRP A 1 51 ? 28.574 55.022 13.504 1.00 66.55 ? 51 TRP A CE2 1
838
+ ATOM 417 C CE3 . TRP A 1 51 ? 27.736 53.300 12.005 1.00 73.52 ? 51 TRP A CE3 1
839
+ ATOM 418 C CZ2 . TRP A 1 51 ? 28.315 56.028 12.585 1.00 66.49 ? 51 TRP A CZ2 1
840
+ ATOM 419 C CZ3 . TRP A 1 51 ? 27.462 54.301 11.084 1.00 71.81 ? 51 TRP A CZ3 1
841
+ ATOM 420 C CH2 . TRP A 1 51 ? 27.764 55.660 11.383 1.00 68.57 ? 51 TRP A CH2 1
842
+ ATOM 421 N N . ASN A 1 52 ? 31.653 51.649 13.058 1.00 72.23 ? 52 ASN A N 1
843
+ ATOM 422 C CA . ASN A 1 52 ? 32.989 52.164 13.305 1.00 80.31 ? 52 ASN A CA 1
844
+ ATOM 423 C C . ASN A 1 52 ? 32.896 53.669 13.439 1.00 82.40 ? 52 ASN A C 1
845
+ ATOM 424 O O . ASN A 1 52 ? 32.932 54.399 12.439 1.00 76.92 ? 52 ASN A O 1
846
+ ATOM 425 C CB . ASN A 1 52 ? 33.948 51.768 12.207 1.00 85.84 ? 52 ASN A CB 1
847
+ ATOM 426 C CG . ASN A 1 52 ? 35.386 52.147 12.524 1.00 94.32 ? 52 ASN A CG 1
848
+ ATOM 427 O OD1 . ASN A 1 52 ? 35.739 52.410 13.683 1.00 100.60 ? 52 ASN A OD1 1
849
+ ATOM 428 N ND2 . ASN A 1 52 ? 36.234 52.169 11.501 1.00 102.81 ? 52 ASN A ND2 1
850
+ ATOM 429 N N . SER A 1 53 ? 32.753 54.107 14.694 1.00 80.53 ? 53 SER A N 1
851
+ ATOM 430 C CA . SER A 1 53 ? 32.559 55.522 15.017 1.00 84.22 ? 53 SER A CA 1
852
+ ATOM 431 C C . SER A 1 53 ? 33.633 56.429 14.444 1.00 84.77 ? 53 SER A C 1
853
+ ATOM 432 O O . SER A 1 53 ? 33.313 57.471 13.871 1.00 90.44 ? 53 SER A O 1
854
+ ATOM 433 C CB . SER A 1 53 ? 32.513 55.710 16.523 1.00 86.24 ? 53 SER A CB 1
855
+ ATOM 434 O OG . SER A 1 53 ? 33.715 55.237 17.088 1.00 95.04 ? 53 SER A OG 1
856
+ ATOM 435 N N . ASN A 1 54 ? 34.882 55.980 14.520 1.00 86.77 ? 54 ASN A N 1
857
+ ATOM 436 C CA . ASN A 1 54 ? 36.033 56.782 14.089 1.00 93.92 ? 54 ASN A CA 1
858
+ ATOM 437 C C . ASN A 1 54 ? 36.135 56.924 12.577 1.00 93.51 ? 54 ASN A C 1
859
+ ATOM 438 O O . ASN A 1 54 ? 36.786 57.854 12.086 1.00 101.71 ? 54 ASN A O 1
860
+ ATOM 439 C CB . ASN A 1 54 ? 37.370 56.214 14.609 1.00 95.92 ? 54 ASN A CB 1
861
+ ATOM 440 C CG . ASN A 1 54 ? 37.392 56.004 16.111 1.00 96.50 ? 54 ASN A CG 1
862
+ ATOM 441 O OD1 . ASN A 1 54 ? 37.920 56.828 16.869 1.00 102.55 ? 54 ASN A OD1 1
863
+ ATOM 442 N ND2 . ASN A 1 54 ? 36.823 54.891 16.551 1.00 94.36 ? 54 ASN A ND2 1
864
+ ATOM 443 N N . LYS A 1 55 ? 35.579 55.967 11.850 1.00 90.54 ? 55 LYS A N 1
865
+ ATOM 444 C CA . LYS A 1 55 ? 35.415 56.087 10.411 1.00 93.75 ? 55 LYS A CA 1
866
+ ATOM 445 C C . LYS A 1 55 ? 33.952 56.415 10.124 1.00 93.02 ? 55 LYS A C 1
867
+ ATOM 446 O O . LYS A 1 55 ? 33.551 56.573 8.970 1.00 95.37 ? 55 LYS A O 1
868
+ ATOM 447 C CB . LYS A 1 55 ? 35.867 54.801 9.720 1.00 94.69 ? 55 LYS A CB 1
869
+ ATOM 448 C CG . LYS A 1 55 ? 35.949 54.933 8.207 1.00 105.15 ? 55 LYS A CG 1
870
+ ATOM 449 C CD . LYS A 1 55 ? 36.738 53.821 7.528 1.00 114.40 ? 55 LYS A CD 1
871
+ ATOM 450 C CE . LYS A 1 55 ? 36.818 54.063 6.019 1.00 113.56 ? 55 LYS A CE 1
872
+ ATOM 451 N NZ . LYS A 1 55 ? 37.922 53.296 5.380 1.00 110.70 ? 55 LYS A NZ 1
873
+ ATOM 452 N N . ASN A 1 56 ? 33.153 56.515 11.185 1.00 84.47 ? 56 ASN A N 1
874
+ ATOM 453 C CA . ASN A 1 56 ? 31.767 56.910 11.111 1.00 82.96 ? 56 ASN A CA 1
875
+ ATOM 454 C C . ASN A 1 56 ? 30.961 56.217 9.994 1.00 78.02 ? 56 ASN A C 1
876
+ ATOM 455 O O . ASN A 1 56 ? 30.386 56.849 9.121 1.00 81.30 ? 56 ASN A O 1
877
+ ATOM 456 C CB . ASN A 1 56 ? 31.689 58.434 11.012 1.00 83.11 ? 56 ASN A CB 1
878
+ ATOM 457 C CG . ASN A 1 56 ? 30.344 58.975 11.463 1.00 81.75 ? 56 ASN A CG 1
879
+ ATOM 458 O OD1 . ASN A 1 56 ? 30.199 59.450 12.601 1.00 75.64 ? 56 ASN A OD1 1
880
+ ATOM 459 N ND2 . ASN A 1 56 ? 29.346 58.869 10.601 1.00 78.39 ? 56 ASN A ND2 1
881
+ ATOM 460 N N . ARG A 1 57 ? 30.939 54.897 10.037 1.00 78.96 ? 57 ARG A N 1
882
+ ATOM 461 C CA . ARG A 1 57 ? 30.267 54.114 9.010 1.00 71.89 ? 57 ARG A CA 1
883
+ ATOM 462 C C . ARG A 1 57 ? 29.989 52.722 9.510 1.00 63.25 ? 57 ARG A C 1
884
+ ATOM 463 O O . ARG A 1 57 ? 30.609 52.268 10.471 1.00 62.55 ? 57 ARG A O 1
885
+ ATOM 464 C CB . ARG A 1 57 ? 31.117 54.042 7.725 1.00 72.63 ? 57 ARG A CB 1
886
+ ATOM 465 C CG . ARG A 1 57 ? 32.492 53.387 7.874 1.00 76.13 ? 57 ARG A CG 1
887
+ ATOM 466 C CD . ARG A 1 57 ? 33.226 53.344 6.547 1.00 82.93 ? 57 ARG A CD 1
888
+ ATOM 467 N NE . ARG A 1 57 ? 32.602 52.357 5.668 1.00 91.07 ? 57 ARG A NE 1
889
+ ATOM 468 C CZ . ARG A 1 57 ? 32.953 51.065 5.538 1.00 95.99 ? 57 ARG A CZ 1
890
+ ATOM 469 N NH1 . ARG A 1 57 ? 34.002 50.534 6.181 1.00 98.92 ? 57 ARG A NH1 1
891
+ ATOM 470 N NH2 . ARG A 1 57 ? 32.259 50.289 4.702 1.00 95.39 ? 57 ARG A NH2 1
892
+ ATOM 471 N N . TRP A 1 58 ? 29.086 52.046 8.804 1.00 61.83 ? 58 TRP A N 1
893
+ ATOM 472 C CA . TRP A 1 58 ? 28.738 50.641 9.055 1.00 63.11 ? 58 TRP A CA 1
894
+ ATOM 473 C C . TRP A 1 58 ? 29.716 49.715 8.331 1.00 61.20 ? 58 TRP A C 1
895
+ ATOM 474 O O . TRP A 1 58 ? 29.760 49.736 7.094 1.00 66.85 ? 58 TRP A O 1
896
+ ATOM 475 C CB . TRP A 1 58 ? 27.307 50.338 8.564 1.00 59.94 ? 58 TRP A CB 1
897
+ ATOM 476 C CG . TRP A 1 58 ? 26.212 50.892 9.431 1.00 56.04 ? 58 TRP A CG 1
898
+ ATOM 477 C CD1 . TRP A 1 58 ? 25.260 51.784 9.060 1.00 53.09 ? 58 TRP A CD1 1
899
+ ATOM 478 C CD2 . TRP A 1 58 ? 25.929 50.546 10.794 1.00 56.76 ? 58 TRP A CD2 1
900
+ ATOM 479 N NE1 . TRP A 1 58 ? 24.419 52.043 10.095 1.00 50.63 ? 58 TRP A NE1 1
901
+ ATOM 480 C CE2 . TRP A 1 58 ? 24.799 51.305 11.183 1.00 58.84 ? 58 TRP A CE2 1
902
+ ATOM 481 C CE3 . TRP A 1 58 ? 26.525 49.680 11.728 1.00 60.38 ? 58 TRP A CE3 1
903
+ ATOM 482 C CZ2 . TRP A 1 58 ? 24.231 51.222 12.480 1.00 59.69 ? 58 TRP A CZ2 1
904
+ ATOM 483 C CZ3 . TRP A 1 58 ? 25.958 49.582 13.028 1.00 64.07 ? 58 TRP A CZ3 1
905
+ ATOM 484 C CH2 . TRP A 1 58 ? 24.828 50.350 13.386 1.00 66.70 ? 58 TRP A CH2 1
906
+ ATOM 485 N N . GLU A 1 59 ? 30.452 48.880 9.074 1.00 61.08 ? 59 GLU A N 1
907
+ ATOM 486 C CA . GLU A 1 59 ? 31.459 47.962 8.472 1.00 66.86 ? 59 GLU A CA 1
908
+ ATOM 487 C C . GLU A 1 59 ? 31.013 46.490 8.477 1.00 71.71 ? 59 GLU A C 1
909
+ ATOM 488 O O . GLU A 1 59 ? 30.602 45.950 9.519 1.00 68.66 ? 59 GLU A O 1
910
+ ATOM 489 C CB . GLU A 1 59 ? 32.811 48.108 9.168 1.00 67.14 ? 59 GLU A CB 1
911
+ ATOM 490 C CG . GLU A 1 59 ? 33.344 49.532 9.150 1.00 74.44 ? 59 GLU A CG 1
912
+ ATOM 491 C CD . GLU A 1 59 ? 34.770 49.662 9.653 1.00 79.11 ? 59 GLU A CD 1
913
+ ATOM 492 O OE1 . GLU A 1 59 ? 35.264 48.729 10.323 1.00 84.35 ? 59 GLU A OE1 1
914
+ ATOM 493 O OE2 . GLU A 1 59 ? 35.385 50.733 9.424 1.00 91.72 ? 59 GLU A OE2 1
915
+ ATOM 494 N N . ASN A 1 60 ? 31.124 45.846 7.317 1.00 67.64 ? 60 ASN A N 1
916
+ ATOM 495 C CA . ASN A 1 60 ? 30.728 44.440 7.175 1.00 69.48 ? 60 ASN A CA 1
917
+ ATOM 496 C C . ASN A 1 60 ? 31.580 43.569 8.068 1.00 68.03 ? 60 ASN A C 1
918
+ ATOM 497 O O . ASN A 1 60 ? 32.763 43.826 8.218 1.00 72.46 ? 60 ASN A O 1
919
+ ATOM 498 C CB . ASN A 1 60 ? 30.839 44.009 5.726 1.00 70.17 ? 60 ASN A CB 1
920
+ ATOM 499 C CG . ASN A 1 60 ? 29.793 44.671 4.863 1.00 72.08 ? 60 ASN A CG 1
921
+ ATOM 500 O OD1 . ASN A 1 60 ? 29.630 45.886 4.899 1.00 85.37 ? 60 ASN A OD1 1
922
+ ATOM 501 N ND2 . ASN A 1 60 ? 29.079 43.894 4.097 1.00 75.38 ? 60 ASN A ND2 1
923
+ ATOM 502 N N . ASN A 1 61 ? 30.971 42.591 8.725 1.00 68.15 ? 61 ASN A N 1
924
+ ATOM 503 C CA . ASN A 1 61 ? 31.721 41.749 9.675 1.00 68.10 ? 61 ASN A CA 1
925
+ ATOM 504 C C . ASN A 1 61 ? 31.406 40.275 9.462 1.00 64.09 ? 61 ASN A C 1
926
+ ATOM 505 O O . ASN A 1 61 ? 32.208 39.539 8.912 1.00 68.93 ? 61 ASN A O 1
927
+ ATOM 506 C CB . ASN A 1 61 ? 31.458 42.214 11.134 1.00 70.73 ? 61 ASN A CB 1
928
+ ATOM 507 C CG . ASN A 1 61 ? 32.061 41.264 12.173 1.00 79.81 ? 61 ASN A CG 1
929
+ ATOM 508 O OD1 . ASN A 1 61 ? 33.149 40.716 11.973 1.00 87.00 ? 61 ASN A OD1 1
930
+ ATOM 509 N ND2 . ASN A 1 61 ? 31.351 41.043 13.268 1.00 80.75 ? 61 ASN A ND2 1
931
+ ATOM 510 N N . LEU A 1 62 ? 30.220 39.879 9.900 1.00 63.32 ? 62 LEU A N 1
932
+ ATOM 511 C CA . LEU A 1 62 ? 29.733 38.515 9.857 1.00 64.83 ? 62 LEU A CA 1
933
+ ATOM 512 C C . LEU A 1 62 ? 28.466 38.472 9.057 1.00 56.94 ? 62 LEU A C 1
934
+ ATOM 513 O O . LEU A 1 62 ? 27.776 39.489 8.925 1.00 56.79 ? 62 LEU A O 1
935
+ ATOM 514 C CB . LEU A 1 62 ? 29.425 38.017 11.278 1.00 67.71 ? 62 LEU A CB 1
936
+ ATOM 515 C CG . LEU A 1 62 ? 30.655 37.825 12.178 1.00 78.49 ? 62 LEU A CG 1
937
+ ATOM 516 C CD1 . LEU A 1 62 ? 30.282 37.490 13.634 1.00 80.26 ? 62 LEU A CD1 1
938
+ ATOM 517 C CD2 . LEU A 1 62 ? 31.588 36.755 11.614 1.00 78.18 ? 62 LEU A CD2 1
939
+ ATOM 518 N N . CYS A 1 63 ? 28.144 37.282 8.561 1.00 51.10 ? 63 CYS A N 1
940
+ ATOM 519 C CA . CYS A 1 63 ? 26.924 37.052 7.764 1.00 48.31 ? 63 CYS A CA 1
941
+ ATOM 520 C C . CYS A 1 63 ? 26.596 35.585 7.868 1.00 49.22 ? 63 CYS A C 1
942
+ ATOM 521 O O . CYS A 1 63 ? 27.457 34.746 7.654 1.00 55.71 ? 63 CYS A O 1
943
+ ATOM 522 C CB . CYS A 1 63 ? 27.188 37.397 6.330 1.00 50.64 ? 63 CYS A CB 1
944
+ ATOM 523 S SG . CYS A 1 63 ? 25.736 37.451 5.283 1.00 55.06 ? 63 CYS A SG 1
945
+ ATOM 524 N N . ILE A 1 64 ? 25.370 35.299 8.248 1.00 47.93 ? 64 ILE A N 1
946
+ ATOM 525 C CA . ILE A 1 64 ? 24.854 33.959 8.383 1.00 48.51 ? 64 ILE A CA 1
947
+ ATOM 526 C C . ILE A 1 64 ? 23.819 33.721 7.296 1.00 49.37 ? 64 ILE A C 1
948
+ ATOM 527 O O . ILE A 1 64 ? 23.031 34.616 6.995 1.00 50.94 ? 64 ILE A O 1
949
+ ATOM 528 C CB . ILE A 1 64 ? 24.082 33.806 9.675 1.00 52.22 ? 64 ILE A CB 1
950
+ ATOM 529 C CG1 . ILE A 1 64 ? 24.912 34.317 10.868 1.00 60.17 ? 64 ILE A CG1 1
951
+ ATOM 530 C CG2 . ILE A 1 64 ? 23.700 32.353 9.865 1.00 57.56 ? 64 ILE A CG2 1
952
+ ATOM 531 C CD1 . ILE A 1 64 ? 24.108 34.464 12.152 1.00 59.73 ? 64 ILE A CD1 1
953
+ ATOM 532 N N . ARG A 1 65 ? 23.797 32.506 6.758 1.00 53.54 ? 65 ARG A N 1
954
+ ATOM 533 C CA . ARG A 1 65 ? 22.913 32.121 5.652 1.00 48.19 ? 65 ARG A CA 1
955
+ ATOM 534 C C . ARG A 1 65 ? 22.253 30.819 5.999 1.00 47.60 ? 65 ARG A C 1
956
+ ATOM 535 O O . ARG A 1 65 ? 22.923 29.922 6.488 1.00 50.79 ? 65 ARG A O 1
957
+ ATOM 536 C CB . ARG A 1 65 ? 23.699 32.016 4.359 1.00 45.73 ? 65 ARG A CB 1
958
+ ATOM 537 C CG . ARG A 1 65 ? 24.144 33.410 3.926 1.00 47.82 ? 65 ARG A CG 1
959
+ ATOM 538 C CD . ARG A 1 65 ? 24.649 33.566 2.485 1.00 41.97 ? 65 ARG A CD 1
960
+ ATOM 539 N NE . ARG A 1 65 ? 25.471 34.771 2.484 1.00 40.35 ? 65 ARG A NE 1
961
+ ATOM 540 C CZ . ARG A 1 65 ? 26.375 35.137 1.569 1.00 47.03 ? 65 ARG A CZ 1
962
+ ATOM 541 N NH1 . ARG A 1 65 ? 26.602 34.423 0.464 1.00 53.14 ? 65 ARG A NH1 1
963
+ ATOM 542 N NH2 . ARG A 1 65 ? 27.063 36.271 1.758 1.00 45.16 ? 65 ARG A NH2 1
964
+ ATOM 543 N N . TYR A 1 66 ? 20.940 30.751 5.812 1.00 43.96 ? 66 TYR A N 1
965
+ ATOM 544 C CA . TYR A 1 66 ? 20.136 29.618 6.263 1.00 47.37 ? 66 TYR A CA 1
966
+ ATOM 545 C C . TYR A 1 66 ? 19.576 28.925 5.050 1.00 51.40 ? 66 TYR A C 1
967
+ ATOM 546 O O . TYR A 1 66 ? 19.187 29.593 4.088 1.00 51.47 ? 66 TYR A O 1
968
+ ATOM 547 C CB . TYR A 1 66 ? 19.013 30.110 7.143 1.00 47.94 ? 66 TYR A CB 1
969
+ ATOM 548 C CG . TYR A 1 66 ? 19.436 30.829 8.436 1.00 48.42 ? 66 TYR A CG 1
970
+ ATOM 549 C CD1 . TYR A 1 66 ? 19.777 30.108 9.591 1.00 51.19 ? 66 TYR A CD1 1
971
+ ATOM 550 C CD2 . TYR A 1 66 ? 19.435 32.233 8.523 1.00 50.68 ? 66 TYR A CD2 1
972
+ ATOM 551 C CE1 . TYR A 1 66 ? 20.124 30.752 10.784 1.00 52.97 ? 66 TYR A CE1 1
973
+ ATOM 552 C CE2 . TYR A 1 66 ? 19.781 32.889 9.721 1.00 49.33 ? 66 TYR A CE2 1
974
+ ATOM 553 C CZ . TYR A 1 66 ? 20.120 32.137 10.841 1.00 54.01 ? 66 TYR A CZ 1
975
+ ATOM 554 O OH . TYR A 1 66 ? 20.444 32.747 12.031 1.00 66.89 ? 66 TYR A OH 1
976
+ ATOM 555 N N . THR A 1 67 ? 19.611 27.594 5.067 1.00 54.93 ? 67 THR A N 1
977
+ ATOM 556 C CA . THR A 1 67 ? 19.087 26.774 3.993 1.00 55.58 ? 67 THR A CA 1
978
+ ATOM 557 C C . THR A 1 67 ? 18.159 25.750 4.585 1.00 61.12 ? 67 THR A C 1
979
+ ATOM 558 O O . THR A 1 67 ? 18.474 25.123 5.608 1.00 58.10 ? 67 THR A O 1
980
+ ATOM 559 C CB . THR A 1 67 ? 20.215 26.073 3.285 1.00 61.18 ? 67 THR A CB 1
981
+ ATOM 560 O OG1 . THR A 1 67 ? 21.164 27.062 2.871 1.00 62.12 ? 67 THR A OG1 1
982
+ ATOM 561 C CG2 . THR A 1 67 ? 19.698 25.286 2.079 1.00 63.35 ? 67 THR A CG2 1
983
+ ATOM 562 N N . TYR A 1 68 ? 17.024 25.568 3.929 1.00 64.58 ? 68 TYR A N 1
984
+ ATOM 563 C CA . TYR A 1 68 ? 15.976 24.724 4.440 1.00 71.96 ? 68 TYR A CA 1
985
+ ATOM 564 C C . TYR A 1 68 ? 15.875 23.524 3.521 1.00 79.93 ? 68 TYR A C 1
986
+ ATOM 565 O O . TYR A 1 68 ? 15.570 23.673 2.346 1.00 82.99 ? 68 TYR A O 1
987
+ ATOM 566 C CB . TYR A 1 68 ? 14.664 25.504 4.543 1.00 73.44 ? 68 TYR A CB 1
988
+ ATOM 567 C CG . TYR A 1 68 ? 14.784 26.735 5.428 1.00 72.07 ? 68 TYR A CG 1
989
+ ATOM 568 C CD1 . TYR A 1 68 ? 14.769 26.624 6.818 1.00 74.51 ? 68 TYR A CD1 1
990
+ ATOM 569 C CD2 . TYR A 1 68 ? 14.939 28.014 4.872 1.00 74.28 ? 68 TYR A CD2 1
991
+ ATOM 570 C CE1 . TYR A 1 68 ? 14.879 27.749 7.633 1.00 72.36 ? 68 TYR A CE1 1
992
+ ATOM 571 C CE2 . TYR A 1 68 ? 15.065 29.144 5.674 1.00 68.63 ? 68 TYR A CE2 1
993
+ ATOM 572 C CZ . TYR A 1 68 ? 15.048 29.007 7.057 1.00 70.82 ? 68 TYR A CZ 1
994
+ ATOM 573 O OH . TYR A 1 68 ? 15.169 30.125 7.843 1.00 59.02 ? 68 TYR A OH 1
995
+ ATOM 574 N N . GLY A 1 69 ? 16.147 22.346 4.085 1.00 87.63 ? 69 GLY A N 1
996
+ ATOM 575 C CA . GLY A 1 69 ? 15.997 21.054 3.432 1.00 92.08 ? 69 GLY A CA 1
997
+ ATOM 576 C C . GLY A 1 69 ? 14.636 20.592 3.894 1.00 94.53 ? 69 GLY A C 1
998
+ ATOM 577 O O . GLY A 1 69 ? 13.920 21.340 4.549 1.00 90.27 ? 69 GLY A O 1
999
+ ATOM 578 N N . ASN A 1 70 ? 14.260 19.372 3.559 1.00 99.59 ? 70 ASN A N 1
1000
+ ATOM 579 C CA . ASN A 1 70 ? 12.914 18.881 3.888 1.00 102.28 ? 70 ASN A CA 1
1001
+ ATOM 580 C C . ASN A 1 70 ? 12.840 18.298 5.288 1.00 103.25 ? 70 ASN A C 1
1002
+ ATOM 581 O O . ASN A 1 70 ? 11.753 18.170 5.861 1.00 91.18 ? 70 ASN A O 1
1003
+ ATOM 582 C CB . ASN A 1 70 ? 12.419 17.913 2.803 1.00 98.92 ? 70 ASN A CB 1
1004
+ ATOM 583 C CG . ASN A 1 70 ? 12.187 18.606 1.461 1.00 99.78 ? 70 ASN A CG 1
1005
+ ATOM 584 O OD1 . ASN A 1 70 ? 11.945 19.819 1.397 1.00 98.98 ? 70 ASN A OD1 1
1006
+ ATOM 585 N ND2 . ASN A 1 70 ? 12.262 17.838 0.378 1.00 99.46 ? 70 ASN A ND2 1
1007
+ ATOM 586 N N . LYS A 1 71 ? 14.002 17.975 5.841 1.00 104.30 ? 71 LYS A N 1
1008
+ ATOM 587 C CA . LYS A 1 71 ? 14.109 17.514 7.201 1.00 110.43 ? 71 LYS A CA 1
1009
+ ATOM 588 C C . LYS A 1 71 ? 15.149 18.264 8.018 1.00 106.39 ? 71 LYS A C 1
1010
+ ATOM 589 O O . LYS A 1 71 ? 15.300 17.971 9.208 1.00 104.18 ? 71 LYS A O 1
1011
+ ATOM 590 C CB . LYS A 1 71 ? 14.408 16.013 7.158 1.00 117.72 ? 71 LYS A CB 1
1012
+ ATOM 591 C CG . LYS A 1 71 ? 13.221 15.176 6.700 1.00 120.77 ? 71 LYS A CG 1
1013
+ ATOM 592 C CD . LYS A 1 71 ? 13.604 13.729 6.451 1.00 122.79 ? 71 LYS A CD 1
1014
+ ATOM 593 C CE . LYS A 1 71 ? 12.400 12.959 5.934 1.00 127.51 ? 71 LYS A CE 1
1015
+ ATOM 594 N NZ . LYS A 1 71 ? 12.634 11.492 5.921 1.00 129.53 ? 71 LYS A NZ 1
1016
+ ATOM 595 N N . SER A 1 72 ? 15.773 19.283 7.415 1.00 97.95 ? 72 SER A N 1
1017
+ ATOM 596 C CA . SER A 1 72 ? 17.020 19.817 7.905 1.00 90.16 ? 72 SER A CA 1
1018
+ ATOM 597 C C . SER A 1 72 ? 17.231 21.286 7.516 1.00 81.33 ? 72 SER A C 1
1019
+ ATOM 598 O O . SER A 1 72 ? 16.994 21.674 6.374 1.00 77.21 ? 72 SER A O 1
1020
+ ATOM 599 C CB . SER A 1 72 ? 18.137 18.933 7.344 1.00 93.40 ? 72 SER A CB 1
1021
+ ATOM 600 O OG . SER A 1 72 ? 19.417 19.476 7.530 1.00 107.02 ? 72 SER A OG 1
1022
+ ATOM 601 N N . MET A 1 73 ? 17.633 22.095 8.488 1.00 72.10 ? 73 MET A N 1
1023
+ ATOM 602 C CA . MET A 1 73 ? 18.137 23.426 8.207 1.00 71.70 ? 73 MET A CA 1
1024
+ ATOM 603 C C . MET A 1 73 ? 19.628 23.439 8.304 1.00 70.31 ? 73 MET A C 1
1025
+ ATOM 604 O O . MET A 1 73 ? 20.185 22.954 9.278 1.00 71.47 ? 73 MET A O 1
1026
+ ATOM 605 C CB . MET A 1 73 ? 17.628 24.469 9.179 1.00 75.10 ? 73 MET A CB 1
1027
+ ATOM 606 C CG . MET A 1 73 ? 17.945 25.877 8.673 1.00 73.34 ? 73 MET A CG 1
1028
+ ATOM 607 S SD . MET A 1 73 ? 17.201 27.237 9.869 0.75 79.13 ? 73 MET A SD 1
1029
+ ATOM 608 C CE . MET A 1 73 ? 18.165 26.885 11.542 1.00 74.37 ? 73 MET A CE 1
1030
+ ATOM 609 N N . THR A 1 74 ? 20.281 24.076 7.337 1.00 69.49 ? 74 THR A N 1
1031
+ ATOM 610 C CA . THR A 1 74 ? 21.729 24.273 7.360 1.00 66.14 ? 74 THR A CA 1
1032
+ ATOM 611 C C . THR A 1 74 ? 22.076 25.756 7.485 1.00 69.97 ? 74 THR A C 1
1033
+ ATOM 612 O O . THR A 1 74 ? 21.615 26.579 6.677 1.00 76.75 ? 74 THR A O 1
1034
+ ATOM 613 C CB . THR A 1 74 ? 22.364 23.725 6.092 1.00 68.79 ? 74 THR A CB 1
1035
+ ATOM 614 O OG1 . THR A 1 74 ? 21.872 22.394 5.851 1.00 73.21 ? 74 THR A OG1 1
1036
+ ATOM 615 C CG2 . THR A 1 74 ? 23.885 23.714 6.214 1.00 72.56 ? 74 THR A CG2 1
1037
+ ATOM 616 N N . THR A 1 75 ? 22.930 26.085 8.460 1.00 66.98 ? 75 THR A N 1
1038
+ ATOM 617 C CA . THR A 1 75 ? 23.346 27.463 8.716 1.00 56.67 ? 75 THR A CA 1
1039
+ ATOM 618 C C . THR A 1 75 ? 24.824 27.550 8.431 1.00 51.36 ? 75 THR A C 1
1040
+ ATOM 619 O O . THR A 1 75 ? 25.616 26.747 8.930 1.00 53.33 ? 75 THR A O 1
1041
+ ATOM 620 C CB . THR A 1 75 ? 23.073 27.905 10.165 1.00 57.82 ? 75 THR A CB 1
1042
+ ATOM 621 O OG1 . THR A 1 75 ? 24.195 27.596 10.988 1.00 72.11 ? 75 THR A OG1 1
1043
+ ATOM 622 C CG2 . THR A 1 75 ? 21.876 27.210 10.729 1.00 54.99 ? 75 THR A CG2 1
1044
+ ATOM 623 N N . GLU A 1 76 ? 25.209 28.518 7.620 1.00 50.60 ? 76 GLU A N 1
1045
+ ATOM 624 C CA . GLU A 1 76 ? 26.601 28.704 7.258 1.00 47.71 ? 76 GLU A CA 1
1046
+ ATOM 625 C C . GLU A 1 76 ? 27.041 30.089 7.630 1.00 50.33 ? 76 GLU A C 1
1047
+ ATOM 626 O O . GLU A 1 76 ? 26.271 31.032 7.456 1.00 50.54 ? 76 GLU A O 1
1048
+ ATOM 627 C CB . GLU A 1 76 ? 26.758 28.545 5.781 1.00 48.19 ? 76 GLU A CB 1
1049
+ ATOM 628 C CG . GLU A 1 76 ? 26.494 27.169 5.257 1.00 50.25 ? 76 GLU A CG 1
1050
+ ATOM 629 C CD . GLU A 1 76 ? 26.686 27.145 3.735 1.00 55.39 ? 76 GLU A CD 1
1051
+ ATOM 630 O OE1 . GLU A 1 76 ? 25.904 27.834 3.043 1.00 56.85 ? 76 GLU A OE1 1
1052
+ ATOM 631 O OE2 . GLU A 1 76 ? 27.628 26.475 3.247 1.00 60.06 ? 76 GLU A OE2 1
1053
+ ATOM 632 N N . TYR A 1 77 ? 28.298 30.225 8.056 1.00 47.78 ? 77 TYR A N 1
1054
+ ATOM 633 C CA . TYR A 1 77 ? 28.801 31.472 8.608 1.00 46.18 ? 77 TYR A CA 1
1055
+ ATOM 634 C C . TYR A 1 77 ? 29.883 31.993 7.723 1.00 45.00 ? 77 TYR A C 1
1056
+ ATOM 635 O O . TYR A 1 77 ? 30.798 31.244 7.353 1.00 46.52 ? 77 TYR A O 1
1057
+ ATOM 636 C CB . TYR A 1 77 ? 29.388 31.203 10.011 1.00 49.06 ? 77 TYR A CB 1
1058
+ ATOM 637 C CG . TYR A 1 77 ? 28.369 30.664 10.989 1.00 52.22 ? 77 TYR A CG 1
1059
+ ATOM 638 C CD1 . TYR A 1 77 ? 28.158 29.284 11.154 1.00 57.45 ? 77 TYR A CD1 1
1060
+ ATOM 639 C CD2 . TYR A 1 77 ? 27.619 31.523 11.759 1.00 53.58 ? 77 TYR A CD2 1
1061
+ ATOM 640 C CE1 . TYR A 1 77 ? 27.190 28.803 12.067 1.00 55.82 ? 77 TYR A CE1 1
1062
+ ATOM 641 C CE2 . TYR A 1 77 ? 26.690 31.058 12.682 1.00 54.16 ? 77 TYR A CE2 1
1063
+ ATOM 642 C CZ . TYR A 1 77 ? 26.466 29.714 12.823 1.00 51.05 ? 77 TYR A CZ 1
1064
+ ATOM 643 O OH . TYR A 1 77 ? 25.496 29.342 13.720 1.00 52.34 ? 77 TYR A OH 1
1065
+ ATOM 644 N N . TYR A 1 78 ? 29.835 33.288 7.428 1.00 43.23 ? 78 TYR A N 1
1066
+ ATOM 645 C CA . TYR A 1 78 ? 30.807 33.901 6.527 1.00 41.87 ? 78 TYR A CA 1
1067
+ ATOM 646 C C . TYR A 1 78 ? 31.457 35.038 7.244 1.00 47.30 ? 78 TYR A C 1
1068
+ ATOM 647 O O . TYR A 1 78 ? 30.799 35.727 8.027 1.00 48.58 ? 78 TYR A O 1
1069
+ ATOM 648 C CB . TYR A 1 78 ? 30.076 34.453 5.303 1.00 40.54 ? 78 TYR A CB 1
1070
+ ATOM 649 C CG . TYR A 1 78 ? 29.466 33.413 4.376 1.00 37.24 ? 78 TYR A CG 1
1071
+ ATOM 650 C CD1 . TYR A 1 78 ? 28.313 32.761 4.713 1.00 38.95 ? 78 TYR A CD1 1
1072
+ ATOM 651 C CD2 . TYR A 1 78 ? 30.025 33.151 3.102 1.00 40.26 ? 78 TYR A CD2 1
1073
+ ATOM 652 C CE1 . TYR A 1 78 ? 27.739 31.810 3.855 1.00 38.32 ? 78 TYR A CE1 1
1074
+ ATOM 653 C CE2 . TYR A 1 78 ? 29.450 32.243 2.229 1.00 35.69 ? 78 TYR A CE2 1
1075
+ ATOM 654 C CZ . TYR A 1 78 ? 28.334 31.582 2.593 1.00 34.55 ? 78 TYR A CZ 1
1076
+ ATOM 655 O OH . TYR A 1 78 ? 27.817 30.672 1.706 1.00 39.39 ? 78 TYR A OH 1
1077
+ ATOM 656 N N . LYS A 1 79 ? 32.739 35.273 6.983 1.00 54.31 ? 79 LYS A N 1
1078
+ ATOM 657 C CA . LYS A 1 79 ? 33.415 36.449 7.542 1.00 58.84 ? 79 LYS A CA 1
1079
+ ATOM 658 C C . LYS A 1 79 ? 33.842 37.343 6.403 1.00 61.29 ? 79 LYS A C 1
1080
+ ATOM 659 O O . LYS A 1 79 ? 34.210 36.856 5.323 1.00 55.90 ? 79 LYS A O 1
1081
+ ATOM 660 C CB . LYS A 1 79 ? 34.606 36.046 8.414 1.00 63.43 ? 79 LYS A CB 1
1082
+ ATOM 661 C CG . LYS A 1 79 ? 35.196 37.217 9.196 1.00 74.44 ? 79 LYS A CG 1
1083
+ ATOM 662 C CD . LYS A 1 79 ? 35.777 36.826 10.571 1.00 79.93 ? 79 LYS A CD 1
1084
+ ATOM 663 C CE . LYS A 1 79 ? 35.529 37.876 11.674 1.00 84.54 ? 79 LYS A CE 1
1085
+ ATOM 664 N NZ . LYS A 1 79 ? 35.597 39.327 11.300 1.00 86.65 ? 79 LYS A NZ 1
1086
+ ATOM 665 N N . TRP A 1 80 ? 33.735 38.649 6.632 1.00 63.34 ? 80 TRP A N 1
1087
+ ATOM 666 C CA . TRP A 1 80 ? 34.099 39.659 5.639 1.00 61.16 ? 80 TRP A CA 1
1088
+ ATOM 667 C C . TRP A 1 80 ? 35.615 39.788 5.565 1.00 64.18 ? 80 TRP A C 1
1089
+ ATOM 668 O O . TRP A 1 80 ? 36.278 39.841 6.592 1.00 61.79 ? 80 TRP A O 1
1090
+ ATOM 669 C CB . TRP A 1 80 ? 33.497 41.022 6.047 1.00 59.39 ? 80 TRP A CB 1
1091
+ ATOM 670 C CG . TRP A 1 80 ? 33.800 42.100 5.078 1.00 54.12 ? 80 TRP A CG 1
1092
+ ATOM 671 C CD1 . TRP A 1 80 ? 34.734 43.090 5.214 1.00 55.13 ? 80 TRP A CD1 1
1093
+ ATOM 672 C CD2 . TRP A 1 80 ? 33.200 42.284 3.794 1.00 47.50 ? 80 TRP A CD2 1
1094
+ ATOM 673 N NE1 . TRP A 1 80 ? 34.737 43.899 4.091 1.00 51.28 ? 80 TRP A NE1 1
1095
+ ATOM 674 C CE2 . TRP A 1 80 ? 33.800 43.424 3.208 1.00 48.33 ? 80 TRP A CE2 1
1096
+ ATOM 675 C CE3 . TRP A 1 80 ? 32.209 41.607 3.083 1.00 50.06 ? 80 TRP A CE3 1
1097
+ ATOM 676 C CZ2 . TRP A 1 80 ? 33.454 43.884 1.933 1.00 47.79 ? 80 TRP A CZ2 1
1098
+ ATOM 677 C CZ3 . TRP A 1 80 ? 31.849 42.067 1.789 1.00 48.93 ? 80 TRP A CZ3 1
1099
+ ATOM 678 C CH2 . TRP A 1 80 ? 32.469 43.199 1.242 1.00 49.77 ? 80 TRP A CH2 1
1100
+ ATOM 679 N N . ASN A 1 81 ? 36.172 39.867 4.367 1.00 69.68 ? 81 ASN A N 1
1101
+ ATOM 680 C CA . ASN A 1 81 ? 37.569 40.199 4.236 1.00 72.22 ? 81 ASN A CA 1
1102
+ ATOM 681 C C . ASN A 1 81 ? 37.727 41.461 3.441 1.00 72.73 ? 81 ASN A C 1
1103
+ ATOM 682 O O . ASN A 1 81 ? 37.274 41.555 2.302 1.00 71.74 ? 81 ASN A O 1
1104
+ ATOM 683 C CB . ASN A 1 81 ? 38.390 39.089 3.623 1.00 80.31 ? 81 ASN A CB 1
1105
+ ATOM 684 C CG . ASN A 1 81 ? 39.847 39.488 3.444 1.00 87.68 ? 81 ASN A CG 1
1106
+ ATOM 685 O OD1 . ASN A 1 81 ? 40.229 40.651 3.657 1.00 111.67 ? 81 ASN A OD1 1
1107
+ ATOM 686 N ND2 . ASN A 1 81 ? 40.667 38.544 3.044 1.00 89.39 ? 81 ASN A ND2 1
1108
+ ATOM 687 N N . SER A 1 82 ? 38.460 42.384 4.050 1.00 74.83 ? 82 SER A N 1
1109
+ ATOM 688 C CA . SER A 1 82 ? 38.676 43.701 3.505 1.00 77.89 ? 82 SER A CA 1
1110
+ ATOM 689 C C . SER A 1 82 ? 39.422 43.661 2.196 1.00 83.61 ? 82 SER A C 1
1111
+ ATOM 690 O O . SER A 1 82 ? 38.891 44.097 1.166 1.00 86.10 ? 82 SER A O 1
1112
+ ATOM 691 C CB . SER A 1 82 ? 39.419 44.554 4.512 1.00 76.56 ? 82 SER A CB 1
1113
+ ATOM 692 O OG . SER A 1 82 ? 38.566 44.783 5.619 1.00 76.37 ? 82 SER A OG 1
1114
+ ATOM 693 N N . LYS A 1 83 ? 40.611 43.063 2.227 1.00 86.94 ? 83 LYS A N 1
1115
+ ATOM 694 C CA . LYS A 1 83 ? 41.497 43.042 1.055 1.00 86.24 ? 83 LYS A CA 1
1116
+ ATOM 695 C C . LYS A 1 83 ? 40.849 42.356 -0.142 1.00 86.92 ? 83 LYS A C 1
1117
+ ATOM 696 O O . LYS A 1 83 ? 41.144 42.722 -1.266 1.00 89.40 ? 83 LYS A O 1
1118
+ ATOM 697 C CB . LYS A 1 83 ? 42.915 42.488 1.388 1.00 85.45 ? 83 LYS A CB 1
1119
+ ATOM 698 C CG . LYS A 1 83 ? 43.727 43.479 2.225 1.00 88.02 ? 83 LYS A CG 1
1120
+ ATOM 699 C CD . LYS A 1 83 ? 45.196 43.108 2.422 1.00 85.59 ? 83 LYS A CD 1
1121
+ ATOM 700 C CE . LYS A 1 83 ? 45.925 44.260 3.115 1.00 87.17 ? 83 LYS A CE 1
1122
+ ATOM 701 N NZ . LYS A 1 83 ? 47.365 44.002 3.394 1.00 88.80 ? 83 LYS A NZ 1
1123
+ ATOM 702 N N . LYS A 1 84 ? 39.936 41.414 0.094 1.00 86.40 ? 84 LYS A N 1
1124
+ ATOM 703 C CA . LYS A 1 84 ? 39.207 40.767 -0.994 1.00 81.48 ? 84 LYS A CA 1
1125
+ ATOM 704 C C . LYS A 1 84 ? 37.895 41.487 -1.281 1.00 78.94 ? 84 LYS A C 1
1126
+ ATOM 705 O O . LYS A 1 84 ? 37.443 41.485 -2.420 1.00 80.48 ? 84 LYS A O 1
1127
+ ATOM 706 C CB . LYS A 1 84 ? 39.014 39.278 -0.714 1.00 79.04 ? 84 LYS A CB 1
1128
+ ATOM 707 C CG . LYS A 1 84 ? 39.469 38.422 -1.872 1.00 84.83 ? 84 LYS A CG 1
1129
+ ATOM 708 C CD . LYS A 1 84 ? 39.309 36.933 -1.629 1.00 84.47 ? 84 LYS A CD 1
1130
+ ATOM 709 C CE . LYS A 1 84 ? 40.325 36.405 -0.629 1.00 86.40 ? 84 LYS A CE 1
1131
+ ATOM 710 N NZ . LYS A 1 84 ? 41.753 36.552 -1.039 1.00 85.09 ? 84 LYS A NZ 1
1132
+ ATOM 711 N N . LYS A 1 85 ? 37.321 42.128 -0.263 1.00 73.79 ? 85 LYS A N 1
1133
+ ATOM 712 C CA . LYS A 1 85 ? 36.021 42.791 -0.355 1.00 77.33 ? 85 LYS A CA 1
1134
+ ATOM 713 C C . LYS A 1 85 ? 34.910 41.772 -0.611 1.00 72.11 ? 85 LYS A C 1
1135
+ ATOM 714 O O . LYS A 1 85 ? 34.040 41.971 -1.459 1.00 76.54 ? 85 LYS A O 1
1136
+ ATOM 715 C CB . LYS A 1 85 ? 35.996 43.924 -1.396 1.00 87.14 ? 85 LYS A CB 1
1137
+ ATOM 716 C CG . LYS A 1 85 ? 37.051 44.982 -1.151 1.00 92.28 ? 85 LYS A CG 1
1138
+ ATOM 717 C CD . LYS A 1 85 ? 36.954 46.107 -2.154 1.00 92.35 ? 85 LYS A CD 1
1139
+ ATOM 718 C CE . LYS A 1 85 ? 38.040 47.133 -1.887 1.00 97.90 ? 85 LYS A CE 1
1140
+ ATOM 719 N NZ . LYS A 1 85 ? 38.181 48.091 -3.015 1.00 101.75 ? 85 LYS A NZ 1
1141
+ ATOM 720 N N . GLU A 1 86 ? 34.958 40.678 0.139 1.00 62.85 ? 86 GLU A N 1
1142
+ ATOM 721 C CA . GLU A 1 86 ? 34.039 39.564 -0.024 1.00 58.44 ? 86 GLU A CA 1
1143
+ ATOM 722 C C . GLU A 1 86 ? 33.723 38.947 1.303 1.00 55.61 ? 86 GLU A C 1
1144
+ ATOM 723 O O . GLU A 1 86 ? 34.566 38.966 2.198 1.00 47.17 ? 86 GLU A O 1
1145
+ ATOM 724 C CB . GLU A 1 86 ? 34.681 38.477 -0.858 1.00 61.82 ? 86 GLU A CB 1
1146
+ ATOM 725 C CG . GLU A 1 86 ? 34.972 38.905 -2.283 1.00 67.15 ? 86 GLU A CG 1
1147
+ ATOM 726 C CD . GLU A 1 86 ? 35.513 37.788 -3.134 1.00 63.88 ? 86 GLU A CD 1
1148
+ ATOM 727 O OE1 . GLU A 1 86 ? 35.383 36.595 -2.758 1.00 56.48 ? 86 GLU A OE1 1
1149
+ ATOM 728 O OE2 . GLU A 1 86 ? 36.073 38.129 -4.199 1.00 71.47 ? 86 GLU A OE2 1
1150
+ ATOM 729 N N . TYR A 1 87 ? 32.525 38.370 1.408 1.00 52.62 ? 87 TYR A N 1
1151
+ ATOM 730 C CA . TYR A 1 87 ? 32.112 37.612 2.593 1.00 50.13 ? 87 TYR A CA 1
1152
+ ATOM 731 C C . TYR A 1 87 ? 32.596 36.207 2.311 1.00 53.97 ? 87 TYR A C 1
1153
+ ATOM 732 O O . TYR A 1 87 ? 32.043 35.522 1.450 1.00 55.39 ? 87 TYR A O 1
1154
+ ATOM 733 C CB . TYR A 1 87 ? 30.568 37.621 2.822 1.00 47.48 ? 87 TYR A CB 1
1155
+ ATOM 734 C CG . TYR A 1 87 ? 30.068 38.729 3.704 1.00 44.62 ? 87 TYR A CG 1
1156
+ ATOM 735 C CD1 . TYR A 1 87 ? 30.319 38.719 5.083 1.00 49.41 ? 87 TYR A CD1 1
1157
+ ATOM 736 C CD2 . TYR A 1 87 ? 29.312 39.771 3.196 1.00 44.69 ? 87 TYR A CD2 1
1158
+ ATOM 737 C CE1 . TYR A 1 87 ? 29.846 39.740 5.922 1.00 46.54 ? 87 TYR A CE1 1
1159
+ ATOM 738 C CE2 . TYR A 1 87 ? 28.864 40.807 4.003 1.00 43.15 ? 87 TYR A CE2 1
1160
+ ATOM 739 C CZ . TYR A 1 87 ? 29.122 40.801 5.371 1.00 48.66 ? 87 TYR A CZ 1
1161
+ ATOM 740 O OH . TYR A 1 87 ? 28.687 41.839 6.213 1.00 48.45 ? 87 TYR A OH 1
1162
+ ATOM 741 N N . ILE A 1 88 ? 33.613 35.762 3.042 1.00 57.27 ? 88 ILE A N 1
1163
+ ATOM 742 C CA . ILE A 1 88 ? 34.178 34.415 2.847 1.00 55.36 ? 88 ILE A CA 1
1164
+ ATOM 743 C C . ILE A 1 88 ? 33.622 33.389 3.826 1.00 51.98 ? 88 ILE A C 1
1165
+ ATOM 744 O O . ILE A 1 88 ? 33.735 33.587 5.019 1.00 62.24 ? 88 ILE A O 1
1166
+ ATOM 745 C CB . ILE A 1 88 ? 35.719 34.457 2.975 1.00 60.20 ? 88 ILE A CB 1
1167
+ ATOM 746 C CG1 . ILE A 1 88 ? 36.297 35.361 1.879 1.00 63.78 ? 88 ILE A CG1 1
1168
+ ATOM 747 C CG2 . ILE A 1 88 ? 36.310 33.051 2.826 1.00 61.33 ? 88 ILE A CG2 1
1169
+ ATOM 748 C CD1 . ILE A 1 88 ? 37.738 35.747 2.066 1.00 75.66 ? 88 ILE A CD1 1
1170
+ ATOM 749 N N . LEU A 1 89 ? 33.175 32.244 3.314 1.00 54.96 ? 89 LEU A N 1
1171
+ ATOM 750 C CA . LEU A 1 89 ? 32.669 31.107 4.119 1.00 58.09 ? 89 LEU A CA 1
1172
+ ATOM 751 C C . LEU A 1 89 ? 33.660 30.487 5.102 1.00 62.18 ? 89 LEU A C 1
1173
+ ATOM 752 O O . LEU A 1 89 ? 34.823 30.286 4.761 1.00 70.67 ? 89 LEU A O 1
1174
+ ATOM 753 C CB . LEU A 1 89 ? 32.227 29.962 3.217 1.00 55.91 ? 89 LEU A CB 1
1175
+ ATOM 754 C CG . LEU A 1 89 ? 31.642 28.727 3.910 1.00 62.09 ? 89 LEU A CG 1
1176
+ ATOM 755 C CD1 . LEU A 1 89 ? 30.374 29.089 4.654 1.00 57.92 ? 89 LEU A CD1 1
1177
+ ATOM 756 C CD2 . LEU A 1 89 ? 31.336 27.591 2.934 1.00 61.21 ? 89 LEU A CD2 1
1178
+ ATOM 757 N N . VAL A 1 90 ? 33.181 30.164 6.301 1.00 61.17 ? 90 VAL A N 1
1179
+ ATOM 758 C CA . VAL A 1 90 ? 33.971 29.483 7.328 1.00 61.75 ? 90 VAL A CA 1
1180
+ ATOM 759 C C . VAL A 1 90 ? 33.276 28.126 7.509 1.00 63.74 ? 90 VAL A C 1
1181
+ ATOM 760 O O . VAL A 1 90 ? 32.477 27.972 8.446 1.00 64.59 ? 90 VAL A O 1
1182
+ ATOM 761 C CB . VAL A 1 90 ? 33.971 30.243 8.672 1.00 59.26 ? 90 VAL A CB 1
1183
+ ATOM 762 C CG1 . VAL A 1 90 ? 34.793 29.511 9.728 1.00 61.92 ? 90 VAL A CG1 1
1184
+ ATOM 763 C CG2 . VAL A 1 90 ? 34.539 31.645 8.516 1.00 57.16 ? 90 VAL A CG2 1
1185
+ ATOM 764 N N . PRO A 1 91 ? 33.561 27.155 6.608 1.00 58.96 ? 91 PRO A N 1
1186
+ ATOM 765 C CA . PRO A 1 91 ? 32.919 25.825 6.535 1.00 61.02 ? 91 PRO A CA 1
1187
+ ATOM 766 C C . PRO A 1 91 ? 33.133 24.995 7.766 1.00 63.96 ? 91 PRO A C 1
1188
+ ATOM 767 O O . PRO A 1 91 ? 32.426 24.039 8.042 1.00 69.65 ? 91 PRO A O 1
1189
+ ATOM 768 C CB . PRO A 1 91 ? 33.654 25.141 5.369 1.00 59.13 ? 91 PRO A CB 1
1190
+ ATOM 769 C CG . PRO A 1 91 ? 34.990 25.779 5.353 1.00 59.73 ? 91 PRO A CG 1
1191
+ ATOM 770 C CD . PRO A 1 91 ? 34.752 27.213 5.730 1.00 59.72 ? 91 PRO A CD 1
1192
+ ATOM 771 N N . GLU A 1 92 ? 34.126 25.404 8.509 1.00 67.69 ? 92 GLU A N 1
1193
+ ATOM 772 C CA . GLU A 1 92 ? 34.518 24.814 9.754 1.00 66.97 ? 92 GLU A CA 1
1194
+ ATOM 773 C C . GLU A 1 92 ? 33.344 24.940 10.699 1.00 60.83 ? 92 GLU A C 1
1195
+ ATOM 774 O O . GLU A 1 92 ? 33.174 24.104 11.541 1.00 66.69 ? 92 GLU A O 1
1196
+ ATOM 775 C CB . GLU A 1 92 ? 35.724 25.587 10.340 1.00 67.16 ? 92 GLU A CB 1
1197
+ ATOM 776 C CG . GLU A 1 92 ? 36.702 26.162 9.282 1.00 73.90 ? 92 GLU A CG 1
1198
+ ATOM 777 C CD . GLU A 1 92 ? 37.443 27.405 9.711 1.00 78.38 ? 92 GLU A CD 1
1199
+ ATOM 778 O OE1 . GLU A 1 92 ? 37.979 27.422 10.846 1.00 91.06 ? 92 GLU A OE1 1
1200
+ ATOM 779 O OE2 . GLU A 1 92 ? 37.514 28.351 8.891 1.00 83.47 ? 92 GLU A OE2 1
1201
+ ATOM 780 N N . MET A 1 93 ? 32.552 26.001 10.576 1.00 61.77 ? 93 MET A N 1
1202
+ ATOM 781 C CA . MET A 1 93 ? 31.498 26.312 11.556 1.00 60.32 ? 93 MET A CA 1
1203
+ ATOM 782 C C . MET A 1 93 ? 30.119 25.908 11.106 1.00 57.71 ? 93 MET A C 1
1204
+ ATOM 783 O O . MET A 1 93 ? 29.196 25.950 11.909 1.00 50.89 ? 93 MET A O 1
1205
+ ATOM 784 C CB . MET A 1 93 ? 31.507 27.804 11.811 1.00 63.52 ? 93 MET A CB 1
1206
+ ATOM 785 C CG . MET A 1 93 ? 32.781 28.291 12.499 1.00 67.83 ? 93 MET A CG 1
1207
+ ATOM 786 S SD . MET A 1 93 ? 32.835 27.764 14.404 0.75 79.98 ? 93 MET A SD 1
1208
+ ATOM 787 C CE . MET A 1 93 ? 31.160 28.704 14.865 1.00 69.91 ? 93 MET A CE 1
1209
+ ATOM 788 N N . THR A 1 94 ? 29.952 25.464 9.855 1.00 53.00 ? 94 THR A N 1
1210
+ ATOM 789 C CA . THR A 1 94 ? 28.647 25.080 9.338 1.00 52.49 ? 94 THR A CA 1
1211
+ ATOM 790 C C . THR A 1 94 ? 27.939 24.091 10.248 1.00 55.04 ? 94 THR A C 1
1212
+ ATOM 791 O O . THR A 1 94 ? 28.576 23.189 10.766 1.00 67.30 ? 94 THR A O 1
1213
+ ATOM 792 C CB . THR A 1 94 ? 28.784 24.426 7.945 1.00 51.37 ? 94 THR A CB 1
1214
+ ATOM 793 O OG1 . THR A 1 94 ? 29.453 25.339 7.070 1.00 51.31 ? 94 THR A OG1 1
1215
+ ATOM 794 C CG2 . THR A 1 94 ? 27.433 24.080 7.354 1.00 49.35 ? 94 THR A CG2 1
1216
+ ATOM 795 N N . VAL A 1 95 ? 26.624 24.229 10.371 1.00 56.07 ? 95 VAL A N 1
1217
+ ATOM 796 C CA . VAL A 1 95 ? 25.787 23.354 11.188 1.00 56.04 ? 95 VAL A CA 1
1218
+ ATOM 797 C C . VAL A 1 95 ? 24.564 22.878 10.406 1.00 54.66 ? 95 VAL A C 1
1219
+ ATOM 798 O O . VAL A 1 95 ? 23.959 23.630 9.658 1.00 56.86 ? 95 VAL A O 1
1220
+ ATOM 799 C CB . VAL A 1 95 ? 25.298 24.131 12.416 1.00 60.77 ? 95 VAL A CB 1
1221
+ ATOM 800 C CG1 . VAL A 1 95 ? 24.199 23.379 13.162 1.00 62.45 ? 95 VAL A CG1 1
1222
+ ATOM 801 C CG2 . VAL A 1 95 ? 26.483 24.471 13.323 1.00 61.35 ? 95 VAL A CG2 1
1223
+ ATOM 802 N N . THR A 1 96 ? 24.168 21.648 10.671 1.00 54.27 ? 96 THR A N 1
1224
+ ATOM 803 C CA . THR A 1 96 ? 23.042 21.040 10.037 1.00 57.54 ? 96 THR A CA 1
1225
+ ATOM 804 C C . THR A 1 96 ? 22.279 20.323 11.121 1.00 62.37 ? 96 THR A C 1
1226
+ ATOM 805 O O . THR A 1 96 ? 22.825 19.410 11.735 1.00 57.62 ? 96 THR A O 1
1227
+ ATOM 806 C CB . THR A 1 96 ? 23.512 20.021 8.981 1.00 61.71 ? 96 THR A CB 1
1228
+ ATOM 807 O OG1 . THR A 1 96 ? 24.497 20.632 8.140 1.00 62.86 ? 96 THR A OG1 1
1229
+ ATOM 808 C CG2 . THR A 1 96 ? 22.360 19.555 8.140 1.00 59.52 ? 96 THR A CG2 1
1230
+ ATOM 809 N N . MET A 1 97 ? 21.037 20.753 11.360 1.00 65.93 ? 97 MET A N 1
1231
+ ATOM 810 C CA . MET A 1 97 ? 20.153 20.143 12.356 1.00 73.12 ? 97 MET A CA 1
1232
+ ATOM 811 C C . MET A 1 97 ? 18.774 19.927 11.785 1.00 81.85 ? 97 MET A C 1
1233
+ ATOM 812 O O . MET A 1 97 ? 18.430 20.471 10.727 1.00 83.68 ? 97 MET A O 1
1234
+ ATOM 813 C CB . MET A 1 97 ? 20.139 21.086 13.549 1.00 76.89 ? 97 MET A CB 1
1235
+ ATOM 814 C CG . MET A 1 97 ? 21.444 21.025 14.359 1.00 80.87 ? 97 MET A CG 1
1236
+ ATOM 815 S SD . MET A 1 97 ? 21.657 22.559 15.593 0.75 83.10 ? 97 MET A SD 1
1237
+ ATOM 816 C CE . MET A 1 97 ? 19.989 22.228 16.589 1.00 77.10 ? 97 MET A CE 1
1238
+ ATOM 817 N N . ASP A 1 98 ? 17.962 19.138 12.487 1.00 87.11 ? 98 ASP A N 1
1239
+ ATOM 818 C CA . ASP A 1 98 ? 16.652 18.713 11.949 1.00 91.86 ? 98 ASP A CA 1
1240
+ ATOM 819 C C . ASP A 1 98 ? 15.487 19.692 12.139 1.00 93.47 ? 98 ASP A C 1
1241
+ ATOM 820 O O . ASP A 1 98 ? 15.543 20.613 12.941 1.00 100.30 ? 98 ASP A O 1
1242
+ ATOM 821 C CB . ASP A 1 98 ? 16.252 17.353 12.502 1.00 97.24 ? 98 ASP A CB 1
1243
+ ATOM 822 C CG . ASP A 1 98 ? 17.210 16.238 12.092 1.00 98.81 ? 98 ASP A CG 1
1244
+ ATOM 823 O OD1 . ASP A 1 98 ? 17.497 16.100 10.884 1.00 106.98 ? 98 ASP A OD1 1
1245
+ ATOM 824 O OD2 . ASP A 1 98 ? 17.651 15.463 12.968 1.00 93.61 ? 98 ASP A OD2 1
1246
+ #
1247
+ loop_
1248
+ _pdbx_audit_revision_history.ordinal
1249
+ _pdbx_audit_revision_history.data_content_type
1250
+ _pdbx_audit_revision_history.major_revision
1251
+ _pdbx_audit_revision_history.minor_revision
1252
+ _pdbx_audit_revision_history.revision_date
1253
+ 1 'Structure model' 1 0 2014-09-17
1254
+ 2 'Structure model' 1 1 2014-12-24
1255
+ 3 'Structure model' 1 2 2017-11-22
1256
+ 4 'Structure model' 1 3 2018-01-24
1257
+ 5 'Structure model' 1 4 2020-04-22
1258
+ 6 'Structure model' 1 5 2023-02-01
1259
+ #
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1
+ data_4RFU_A
2
+ #
3
+ _pdbx_database_status.entry_id 4RFU_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
+ ;APIMTQGSLYNDSLSTNDFKSILLGSTPLDIAPDGAVFQLDRPLSIDYSLGTGDVDRAVYWHLKKFAGNAGTPAGWFRWG
22
+ IWDNFNKTFTDGVAYYSDEQPRQILLPVGTVCTRVDS
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;APIMTQGSLYNDSLSTNDFKSILLGSTPLDIAPDGAVFQLDRPLSIDYSLGTGDVDRAVYWHLKKFAGNAGTPAGWFRWG
26
+ IWDNFNKTFTDGVAYYSDEQPRQILLPVGTVCTRVDS
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 ALA n
37
+ 1 2 PRO n
38
+ 1 3 ILE n
39
+ 1 4 MET n
40
+ 1 5 THR n
41
+ 1 6 GLN n
42
+ 1 7 GLY n
43
+ 1 8 SER n
44
+ 1 9 LEU n
45
+ 1 10 TYR n
46
+ 1 11 ASN n
47
+ 1 12 ASP n
48
+ 1 13 SER n
49
+ 1 14 LEU n
50
+ 1 15 SER n
51
+ 1 16 THR n
52
+ 1 17 ASN n
53
+ 1 18 ASP n
54
+ 1 19 PHE n
55
+ 1 20 LYS n
56
+ 1 21 SER n
57
+ 1 22 ILE n
58
+ 1 23 LEU n
59
+ 1 24 LEU n
60
+ 1 25 GLY n
61
+ 1 26 SER n
62
+ 1 27 THR n
63
+ 1 28 PRO n
64
+ 1 29 LEU n
65
+ 1 30 ASP n
66
+ 1 31 ILE n
67
+ 1 32 ALA n
68
+ 1 33 PRO n
69
+ 1 34 ASP n
70
+ 1 35 GLY n
71
+ 1 36 ALA n
72
+ 1 37 VAL n
73
+ 1 38 PHE n
74
+ 1 39 GLN n
75
+ 1 40 LEU n
76
+ 1 41 ASP n
77
+ 1 42 ARG n
78
+ 1 43 PRO n
79
+ 1 44 LEU n
80
+ 1 45 SER n
81
+ 1 46 ILE n
82
+ 1 47 ASP n
83
+ 1 48 TYR n
84
+ 1 49 SER n
85
+ 1 50 LEU n
86
+ 1 51 GLY n
87
+ 1 52 THR n
88
+ 1 53 GLY n
89
+ 1 54 ASP n
90
+ 1 55 VAL n
91
+ 1 56 ASP n
92
+ 1 57 ARG n
93
+ 1 58 ALA n
94
+ 1 59 VAL n
95
+ 1 60 TYR n
96
+ 1 61 TRP n
97
+ 1 62 HIS n
98
+ 1 63 LEU n
99
+ 1 64 LYS n
100
+ 1 65 LYS n
101
+ 1 66 PHE n
102
+ 1 67 ALA n
103
+ 1 68 GLY n
104
+ 1 69 ASN n
105
+ 1 70 ALA n
106
+ 1 71 GLY n
107
+ 1 72 THR n
108
+ 1 73 PRO n
109
+ 1 74 ALA n
110
+ 1 75 GLY n
111
+ 1 76 TRP n
112
+ 1 77 PHE n
113
+ 1 78 ARG n
114
+ 1 79 TRP n
115
+ 1 80 GLY n
116
+ 1 81 ILE n
117
+ 1 82 TRP n
118
+ 1 83 ASP n
119
+ 1 84 ASN n
120
+ 1 85 PHE n
121
+ 1 86 ASN n
122
+ 1 87 LYS n
123
+ 1 88 THR n
124
+ 1 89 PHE n
125
+ 1 90 THR n
126
+ 1 91 ASP n
127
+ 1 92 GLY n
128
+ 1 93 VAL n
129
+ 1 94 ALA n
130
+ 1 95 TYR n
131
+ 1 96 TYR n
132
+ 1 97 SER n
133
+ 1 98 ASP n
134
+ 1 99 GLU n
135
+ 1 100 GLN n
136
+ 1 101 PRO n
137
+ 1 102 ARG n
138
+ 1 103 GLN n
139
+ 1 104 ILE n
140
+ 1 105 LEU n
141
+ 1 106 LEU n
142
+ 1 107 PRO n
143
+ 1 108 VAL n
144
+ 1 109 GLY n
145
+ 1 110 THR n
146
+ 1 111 VAL n
147
+ 1 112 CYS n
148
+ 1 113 THR n
149
+ 1 114 ARG n
150
+ 1 115 VAL n
151
+ 1 116 ASP n
152
+ 1 117 SER n
153
+ #
154
+ _entity.id 1
155
+ _entity.type polymer
156
+ _entity.src_method man
157
+ _entity.pdbx_description ?
158
+ _entity.formula_weight 12917.366
159
+ _entity.pdbx_number_of_molecules 1
160
+ _entity.pdbx_ec ?
161
+ _entity.pdbx_mutation ?
162
+ _entity.pdbx_fragment ?
163
+ _entity.details ?
164
+ #
165
+ loop_
166
+ _pdbx_poly_seq_scheme.asym_id
167
+ _pdbx_poly_seq_scheme.entity_id
168
+ _pdbx_poly_seq_scheme.seq_id
169
+ _pdbx_poly_seq_scheme.mon_id
170
+ _pdbx_poly_seq_scheme.ndb_seq_num
171
+ _pdbx_poly_seq_scheme.pdb_seq_num
172
+ _pdbx_poly_seq_scheme.auth_seq_num
173
+ _pdbx_poly_seq_scheme.pdb_mon_id
174
+ _pdbx_poly_seq_scheme.auth_mon_id
175
+ _pdbx_poly_seq_scheme.pdb_strand_id
176
+ _pdbx_poly_seq_scheme.pdb_ins_code
177
+ _pdbx_poly_seq_scheme.hetero
178
+ A 1 1 ALA 1 1 1 ALA ALA A . n
179
+ A 1 2 PRO 2 2 2 PRO PRO A . n
180
+ A 1 3 ILE 3 3 3 ILE ILE A . n
181
+ A 1 4 MET 4 4 4 MET MET A . n
182
+ A 1 5 THR 5 5 5 THR THR A . n
183
+ A 1 6 GLN 6 6 6 GLN GLN A . n
184
+ A 1 7 GLY 7 7 7 GLY GLY A . n
185
+ A 1 8 SER 8 8 8 SER SER A . n
186
+ A 1 9 LEU 9 9 9 LEU LEU A . n
187
+ A 1 10 TYR 10 10 10 TYR TYR A . n
188
+ A 1 11 ASN 11 11 11 ASN ASN A . n
189
+ A 1 12 ASP 12 12 12 ASP ASP A . n
190
+ A 1 13 SER 13 13 13 SER SER A . n
191
+ A 1 14 LEU 14 14 14 LEU LEU A . n
192
+ A 1 15 SER 15 15 15 SER SER A . n
193
+ A 1 16 THR 16 16 16 THR THR A . n
194
+ A 1 17 ASN 17 17 17 ASN ASN A . n
195
+ A 1 18 ASP 18 18 18 ASP ASP A . n
196
+ A 1 19 PHE 19 19 19 PHE PHE A . n
197
+ A 1 20 LYS 20 20 20 LYS LYS A . n
198
+ A 1 21 SER 21 21 21 SER SER A . n
199
+ A 1 22 ILE 22 22 22 ILE ILE A . n
200
+ A 1 23 LEU 23 23 23 LEU LEU A . n
201
+ A 1 24 LEU 24 24 24 LEU LEU A . n
202
+ A 1 25 GLY 25 25 25 GLY GLY A . n
203
+ A 1 26 SER 26 26 26 SER SER A . n
204
+ A 1 27 THR 27 27 27 THR THR A . n
205
+ A 1 28 PRO 28 28 28 PRO PRO A . n
206
+ A 1 29 LEU 29 29 29 LEU LEU A . n
207
+ A 1 30 ASP 30 30 30 ASP ASP A . n
208
+ A 1 31 ILE 31 31 31 ILE ILE A . n
209
+ A 1 32 ALA 32 32 32 ALA ALA A . n
210
+ A 1 33 PRO 33 33 33 PRO PRO A . n
211
+ A 1 34 ASP 34 34 34 ASP ASP A . n
212
+ A 1 35 GLY 35 35 35 GLY GLY A . n
213
+ A 1 36 ALA 36 36 36 ALA ALA A . n
214
+ A 1 37 VAL 37 37 37 VAL VAL A . n
215
+ A 1 38 PHE 38 38 38 PHE PHE A . n
216
+ A 1 39 GLN 39 39 39 GLN GLN A . n
217
+ A 1 40 LEU 40 40 40 LEU LEU A . n
218
+ A 1 41 ASP 41 41 41 ASP ASP A . n
219
+ A 1 42 ARG 42 42 42 ARG ARG A . n
220
+ A 1 43 PRO 43 43 43 PRO PRO A . n
221
+ A 1 44 LEU 44 44 44 LEU LEU A . n
222
+ A 1 45 SER 45 45 45 SER SER A . n
223
+ A 1 46 ILE 46 46 46 ILE ILE A . n
224
+ A 1 47 ASP 47 47 47 ASP ASP A . n
225
+ A 1 48 TYR 48 48 48 TYR TYR A . n
226
+ A 1 49 SER 49 49 49 SER SER A . n
227
+ A 1 50 LEU 50 50 50 LEU LEU A . n
228
+ A 1 51 GLY 51 51 51 GLY GLY A . n
229
+ A 1 52 THR 52 52 52 THR THR A . n
230
+ A 1 53 GLY 53 53 53 GLY GLY A . n
231
+ A 1 54 ASP 54 54 54 ASP ASP A . n
232
+ A 1 55 VAL 55 55 55 VAL VAL A . n
233
+ A 1 56 ASP 56 56 56 ASP ASP A . n
234
+ A 1 57 ARG 57 57 57 ARG ARG A . n
235
+ A 1 58 ALA 58 58 58 ALA ALA A . n
236
+ A 1 59 VAL 59 59 59 VAL VAL A . n
237
+ A 1 60 TYR 60 60 60 TYR TYR A . n
238
+ A 1 61 TRP 61 61 61 TRP TRP A . n
239
+ A 1 62 HIS 62 62 62 HIS HIS A . n
240
+ A 1 63 LEU 63 63 63 LEU LEU A . n
241
+ A 1 64 LYS 64 64 64 LYS LYS A . n
242
+ A 1 65 LYS 65 65 65 LYS LYS A . n
243
+ A 1 66 PHE 66 66 66 PHE PHE A . n
244
+ A 1 67 ALA 67 67 67 ALA ALA A . n
245
+ A 1 68 GLY 68 68 68 GLY GLY A . n
246
+ A 1 69 ASN 69 69 69 ASN ASN A . n
247
+ A 1 70 ALA 70 70 70 ALA ALA A . n
248
+ A 1 71 GLY 71 71 71 GLY GLY A . n
249
+ A 1 72 THR 72 72 72 THR THR A . n
250
+ A 1 73 PRO 73 73 73 PRO PRO A . n
251
+ A 1 74 ALA 74 74 74 ALA ALA A . n
252
+ A 1 75 GLY 75 75 75 GLY GLY A . n
253
+ A 1 76 TRP 76 76 76 TRP TRP A . n
254
+ A 1 77 PHE 77 77 77 PHE PHE A . n
255
+ A 1 78 ARG 78 78 78 ARG ARG A . n
256
+ A 1 79 TRP 79 79 79 TRP TRP A . n
257
+ A 1 80 GLY 80 80 80 GLY GLY A . n
258
+ A 1 81 ILE 81 81 81 ILE ILE A . n
259
+ A 1 82 TRP 82 82 82 TRP TRP A . n
260
+ A 1 83 ASP 83 83 83 ASP ASP A . n
261
+ A 1 84 ASN 84 84 84 ASN ASN A . n
262
+ A 1 85 PHE 85 85 85 PHE PHE A . n
263
+ A 1 86 ASN 86 86 86 ASN ASN A . n
264
+ A 1 87 LYS 87 87 87 LYS LYS A . n
265
+ A 1 88 THR 88 88 88 THR THR A . n
266
+ A 1 89 PHE 89 89 89 PHE PHE A . n
267
+ A 1 90 THR 90 90 90 THR THR A . n
268
+ A 1 91 ASP 91 91 91 ASP ASP A . n
269
+ A 1 92 GLY 92 92 92 GLY GLY A . n
270
+ A 1 93 VAL 93 93 93 VAL VAL A . n
271
+ A 1 94 ALA 94 94 94 ALA ALA A . n
272
+ A 1 95 TYR 95 95 95 TYR TYR A . n
273
+ A 1 96 TYR 96 96 96 TYR TYR A . n
274
+ A 1 97 SER 97 97 97 SER SER A . n
275
+ A 1 98 ASP 98 98 98 ASP ASP A . n
276
+ A 1 99 GLU 99 99 99 GLU GLU A . n
277
+ A 1 100 GLN 100 100 100 GLN GLN A . n
278
+ A 1 101 PRO 101 101 101 PRO PRO A . n
279
+ A 1 102 ARG 102 102 102 ARG ARG A . n
280
+ A 1 103 GLN 103 103 103 GLN GLN A . n
281
+ A 1 104 ILE 104 104 104 ILE ILE A . n
282
+ A 1 105 LEU 105 105 105 LEU LEU A . n
283
+ A 1 106 LEU 106 106 106 LEU LEU A . n
284
+ A 1 107 PRO 107 107 107 PRO PRO A . n
285
+ A 1 108 VAL 108 108 108 VAL VAL A . n
286
+ A 1 109 GLY 109 109 109 GLY GLY A . n
287
+ A 1 110 THR 110 110 110 THR THR A . n
288
+ A 1 111 VAL 111 111 111 VAL VAL A . n
289
+ A 1 112 CYS 112 112 112 CYS CYS A . n
290
+ A 1 113 THR 113 113 113 THR THR A . n
291
+ A 1 114 ARG 114 114 114 ARG ARG A . n
292
+ A 1 115 VAL 115 115 115 VAL VAL A . n
293
+ A 1 116 ASP 116 116 116 ASP ASP A . n
294
+ A 1 117 SER 117 117 117 SER SER A . n
295
+ #
296
+ loop_
297
+ _chem_comp.id
298
+ _chem_comp.type
299
+ _chem_comp.mon_nstd_flag
300
+ _chem_comp.name
301
+ _chem_comp.pdbx_synonyms
302
+ _chem_comp.formula
303
+ _chem_comp.formula_weight
304
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
305
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
306
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
307
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
308
+ CYS "L-peptide linking" y CYSTEINE ? "C3 H7 N O2 S" 121.158
309
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
310
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
311
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
312
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
313
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
314
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
315
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
316
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
317
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
318
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
319
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
320
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
321
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
322
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
323
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
324
+ #
325
+ _struct_asym.id A
326
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
327
+ _struct_asym.pdbx_modified N
328
+ _struct_asym.entity_id 1
329
+ _struct_asym.details ?
330
+ #
331
+ _atom_sites.entry_id 4RFU_A
332
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
333
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
334
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
335
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
336
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
337
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
338
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
339
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
340
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
341
+ _atom_sites.fract_transf_vector[1] 0.00000
342
+ _atom_sites.fract_transf_vector[2] 0.00000
343
+ _atom_sites.fract_transf_vector[3] 0.00000
344
+ #
345
+ _pdbx_validate_torsion.id 1
346
+ _pdbx_validate_torsion.PDB_model_num 1
347
+ _pdbx_validate_torsion.auth_comp_id ASP
348
+ _pdbx_validate_torsion.auth_asym_id A
349
+ _pdbx_validate_torsion.auth_seq_id 98
350
+ _pdbx_validate_torsion.PDB_ins_code ?
351
+ _pdbx_validate_torsion.label_alt_id ?
352
+ _pdbx_validate_torsion.phi -131.95
353
+ _pdbx_validate_torsion.psi -108.98
354
+ #
355
+ loop_
356
+ _atom_type.symbol
357
+ C
358
+ N
359
+ O
360
+ S
361
+ #
362
+ _entry.id 4RFU_A
363
+ #
364
+ loop_
365
+ _atom_site.group_PDB
366
+ _atom_site.id
367
+ _atom_site.type_symbol
368
+ _atom_site.label_atom_id
369
+ _atom_site.label_alt_id
370
+ _atom_site.label_comp_id
371
+ _atom_site.label_asym_id
372
+ _atom_site.label_entity_id
373
+ _atom_site.label_seq_id
374
+ _atom_site.pdbx_PDB_ins_code
375
+ _atom_site.Cartn_x
376
+ _atom_site.Cartn_y
377
+ _atom_site.Cartn_z
378
+ _atom_site.occupancy
379
+ _atom_site.B_iso_or_equiv
380
+ _atom_site.pdbx_formal_charge
381
+ _atom_site.auth_seq_id
382
+ _atom_site.auth_comp_id
383
+ _atom_site.auth_asym_id
384
+ _atom_site.auth_atom_id
385
+ _atom_site.pdbx_PDB_model_num
386
+ ATOM 1 N N . ALA A 1 1 ? 9.357 2.737 -35.847 1.00 47.21 ? 1 ALA A N 1
387
+ ATOM 2 C CA . ALA A 1 1 ? 9.356 2.060 -34.556 1.00 41.83 ? 1 ALA A CA 1
388
+ ATOM 3 C C . ALA A 1 1 ? 10.132 2.865 -33.515 1.00 34.02 ? 1 ALA A C 1
389
+ ATOM 4 O O . ALA A 1 1 ? 11.278 2.532 -33.186 1.00 32.80 ? 1 ALA A O 1
390
+ ATOM 5 C CB . ALA A 1 1 ? 9.925 0.647 -34.687 1.00 33.02 ? 1 ALA A CB 1
391
+ ATOM 6 N N . PRO A 1 2 ? 9.511 3.944 -33.006 1.00 35.69 ? 2 PRO A N 1
392
+ ATOM 7 C CA . PRO A 1 2 ? 10.113 4.744 -31.939 1.00 26.65 ? 2 PRO A CA 1
393
+ ATOM 8 C C . PRO A 1 2 ? 9.783 4.143 -30.578 1.00 22.50 ? 2 PRO A C 1
394
+ ATOM 9 O O . PRO A 1 2 ? 8.615 3.932 -30.246 1.00 26.74 ? 2 PRO A O 1
395
+ ATOM 10 C CB . PRO A 1 2 ? 9.421 6.109 -32.084 1.00 34.66 ? 2 PRO A CB 1
396
+ ATOM 11 C CG . PRO A 1 2 ? 8.493 5.986 -33.293 1.00 34.90 ? 2 PRO A CG 1
397
+ ATOM 12 C CD . PRO A 1 2 ? 8.233 4.524 -33.441 1.00 38.06 ? 2 PRO A CD 1
398
+ ATOM 13 N N . ILE A 1 3 ? 10.816 3.880 -29.793 1.00 14.49 ? 3 ILE A N 1
399
+ ATOM 14 C CA . ILE A 1 3 ? 10.654 3.229 -28.507 1.00 12.87 ? 3 ILE A CA 1
400
+ ATOM 15 C C . ILE A 1 3 ? 10.350 4.267 -27.433 1.00 12.45 ? 3 ILE A C 1
401
+ ATOM 16 O O . ILE A 1 3 ? 11.149 5.175 -27.188 1.00 13.26 ? 3 ILE A O 1
402
+ ATOM 17 C CB . ILE A 1 3 ? 11.920 2.441 -28.143 1.00 12.29 ? 3 ILE A CB 1
403
+ ATOM 18 C CG1 . ILE A 1 3 ? 12.191 1.364 -29.197 1.00 13.85 ? 3 ILE A CG1 1
404
+ ATOM 19 C CG2 . ILE A 1 3 ? 11.791 1.824 -26.764 1.00 13.47 ? 3 ILE A CG2 1
405
+ ATOM 20 C CD1 . ILE A 1 3 ? 13.597 0.801 -29.141 1.00 14.77 ? 3 ILE A CD1 1
406
+ ATOM 21 N N . MET A 1 4 ? 9.189 4.146 -26.808 1.00 12.58 ? 4 MET A N 1
407
+ ATOM 22 C CA . MET A 1 4 ? 8.786 5.082 -25.772 1.00 12.78 ? 4 MET A CA 1
408
+ ATOM 23 C C . MET A 1 4 ? 8.506 4.328 -24.489 1.00 12.37 ? 4 MET A C 1
409
+ ATOM 24 O O . MET A 1 4 ? 7.923 3.238 -24.508 1.00 13.11 ? 4 MET A O 1
410
+ ATOM 25 C CB . MET A 1 4 ? 7.547 5.866 -26.209 1.00 16.81 ? 4 MET A CB 1
411
+ ATOM 26 C CG . MET A 1 4 ? 7.821 6.868 -27.323 1.00 20.41 ? 4 MET A CG 1
412
+ ATOM 27 S SD . MET A 1 4 ? 6.332 7.687 -27.907 1.00 38.76 ? 4 MET A SD 1
413
+ ATOM 28 C CE . MET A 1 4 ? 5.488 7.841 -26.346 1.00 20.12 ? 4 MET A CE 1
414
+ ATOM 29 N N . THR A 1 5 ? 8.916 4.896 -23.363 1.00 11.66 ? 5 THR A N 1
415
+ ATOM 30 C CA . THR A 1 5 ? 8.617 4.259 -22.095 1.00 11.68 ? 5 THR A CA 1
416
+ ATOM 31 C C . THR A 1 5 ? 7.122 4.349 -21.805 1.00 11.04 ? 5 THR A C 1
417
+ ATOM 32 O O . THR A 1 5 ? 6.440 5.293 -22.225 1.00 11.66 ? 5 THR A O 1
418
+ ATOM 33 C CB . THR A 1 5 ? 9.399 4.885 -20.932 1.00 10.76 ? 5 THR A CB 1
419
+ ATOM 34 O OG1 . THR A 1 5 ? 8.967 6.240 -20.743 1.00 10.34 ? 5 THR A OG1 1
420
+ ATOM 35 C CG2 . THR A 1 5 ? 10.905 4.849 -21.197 1.00 11.38 ? 5 THR A CG2 1
421
+ ATOM 36 N N . GLN A 1 6 ? 6.619 3.359 -21.082 1.00 11.39 ? 6 GLN A N 1
422
+ ATOM 37 C CA . GLN A 1 6 ? 5.204 3.300 -20.749 1.00 11.25 ? 6 GLN A CA 1
423
+ ATOM 38 C C . GLN A 1 6 ? 4.987 3.301 -19.244 1.00 11.82 ? 6 GLN A C 1
424
+ ATOM 39 O O . GLN A 1 6 ? 3.850 3.360 -18.774 1.00 13.81 ? 6 GLN A O 1
425
+ ATOM 40 C CB . GLN A 1 6 ? 4.547 2.071 -21.388 1.00 15.52 ? 6 GLN A CB 1
426
+ ATOM 41 C CG . GLN A 1 6 ? 4.646 2.053 -22.910 1.00 20.62 ? 6 GLN A CG 1
427
+ ATOM 42 C CD . GLN A 1 6 ? 3.674 1.082 -23.554 1.00 29.33 ? 6 GLN A CD 1
428
+ ATOM 43 O OE1 . GLN A 1 6 ? 3.060 0.256 -22.877 1.00 31.09 ? 6 GLN A OE1 1
429
+ ATOM 44 N NE2 . GLN A 1 6 ? 3.523 1.183 -24.871 1.00 33.73 ? 6 GLN A NE2 1
430
+ ATOM 45 N N . GLY A 1 7 ? 6.082 3.240 -18.493 1.00 11.18 ? 7 GLY A N 1
431
+ ATOM 46 C CA . GLY A 1 7 ? 6.034 3.335 -17.049 1.00 11.32 ? 7 GLY A CA 1
432
+ ATOM 47 C C . GLY A 1 7 ? 7.066 4.339 -16.567 1.00 10.18 ? 7 GLY A C 1
433
+ ATOM 48 O O . GLY A 1 7 ? 8.135 4.471 -17.168 1.00 10.45 ? 7 GLY A O 1
434
+ ATOM 49 N N . SER A 1 8 ? 6.758 5.047 -15.485 1.00 10.64 ? 8 SER A N 1
435
+ ATOM 50 C CA . SER A 1 8 ? 7.685 6.020 -14.915 1.00 10.14 ? 8 SER A CA 1
436
+ ATOM 51 C C . SER A 1 8 ? 8.836 5.379 -14.162 1.00 10.55 ? 8 SER A C 1
437
+ ATOM 52 O O . SER A 1 8 ? 8.656 4.395 -13.450 1.00 11.02 ? 8 SER A O 1
438
+ ATOM 53 C CB . SER A 1 8 ? 6.961 6.920 -13.924 1.00 12.11 ? 8 SER A CB 1
439
+ ATOM 54 O OG . SER A 1 8 ? 5.941 7.659 -14.554 1.00 15.56 ? 8 SER A OG 1
440
+ ATOM 55 N N . LEU A 1 9 ? 10.015 5.977 -14.286 1.00 8.95 ? 9 LEU A N 1
441
+ ATOM 56 C CA . LEU A 1 9 ? 11.159 5.574 -13.476 1.00 9.58 ? 9 LEU A CA 1
442
+ ATOM 57 C C . LEU A 1 9 ? 11.252 6.521 -12.291 1.00 8.97 ? 9 LEU A C 1
443
+ ATOM 58 O O . LEU A 1 9 ? 11.499 7.710 -12.478 1.00 10.01 ? 9 LEU A O 1
444
+ ATOM 59 C CB . LEU A 1 9 ? 12.454 5.623 -14.290 1.00 9.86 ? 9 LEU A CB 1
445
+ ATOM 60 C CG . LEU A 1 9 ? 13.707 5.210 -13.519 1.00 9.45 ? 9 LEU A CG 1
446
+ ATOM 61 C CD1 . LEU A 1 9 ? 13.643 3.750 -13.092 1.00 11.70 ? 9 LEU A CD1 1
447
+ ATOM 62 C CD2 . LEU A 1 9 ? 14.964 5.460 -14.343 1.00 10.26 ? 9 LEU A CD2 1
448
+ ATOM 63 N N . TYR A 1 10 ? 11.052 6.002 -11.085 1.00 8.93 ? 10 TYR A N 1
449
+ ATOM 64 C CA . TYR A 1 10 ? 11.125 6.792 -9.852 1.00 9.71 ? 10 TYR A CA 1
450
+ ATOM 65 C C . TYR A 1 10 ? 12.502 6.681 -9.209 1.00 10.06 ? 10 TYR A C 1
451
+ ATOM 66 O O . TYR A 1 10 ? 13.160 5.630 -9.308 1.00 11.41 ? 10 TYR A O 1
452
+ ATOM 67 C CB . TYR A 1 10 ? 10.104 6.294 -8.831 1.00 11.17 ? 10 TYR A CB 1
453
+ ATOM 68 C CG . TYR A 1 10 ? 8.666 6.543 -9.204 1.00 11.15 ? 10 TYR A CG 1
454
+ ATOM 69 C CD1 . TYR A 1 10 ? 7.951 5.621 -9.955 1.00 13.73 ? 10 TYR A CD1 1
455
+ ATOM 70 C CD2 . TYR A 1 10 ? 8.015 7.703 -8.800 1.00 13.00 ? 10 TYR A CD2 1
456
+ ATOM 71 C CE1 . TYR A 1 10 ? 6.620 5.846 -10.289 1.00 15.74 ? 10 TYR A CE1 1
457
+ ATOM 72 C CE2 . TYR A 1 10 ? 6.687 7.929 -9.128 1.00 14.66 ? 10 TYR A CE2 1
458
+ ATOM 73 C CZ . TYR A 1 10 ? 6.006 7.004 -9.874 1.00 15.42 ? 10 TYR A CZ 1
459
+ ATOM 74 O OH . TYR A 1 10 ? 4.683 7.242 -10.199 1.00 20.28 ? 10 TYR A OH 1
460
+ ATOM 75 N N . ASN A 1 11 ? 12.934 7.734 -8.518 1.00 9.57 ? 11 ASN A N 1
461
+ ATOM 76 C CA . ASN A 1 11 ? 14.216 7.688 -7.836 1.00 9.05 ? 11 ASN A CA 1
462
+ ATOM 77 C C . ASN A 1 11 ? 14.292 6.588 -6.790 1.00 8.92 ? 11 ASN A C 1
463
+ ATOM 78 O O . ASN A 1 11 ? 15.368 6.014 -6.578 1.00 10.10 ? 11 ASN A O 1
464
+ ATOM 79 C CB . ASN A 1 11 ? 14.629 9.058 -7.276 1.00 9.40 ? 11 ASN A CB 1
465
+ ATOM 80 C CG . ASN A 1 11 ? 13.632 9.638 -6.284 1.00 8.39 ? 11 ASN A CG 1
466
+ ATOM 81 O OD1 . ASN A 1 11 ? 12.517 9.138 -6.108 1.00 8.52 ? 11 ASN A OD1 1
467
+ ATOM 82 N ND2 . ASN A 1 11 ? 14.029 10.735 -5.651 1.00 8.72 ? 11 ASN A ND2 1
468
+ ATOM 83 N N . ASP A 1 12 ? 13.161 6.244 -6.180 1.00 10.22 ? 12 ASP A N 1
469
+ ATOM 84 C CA . ASP A 1 12 ? 13.153 5.192 -5.165 1.00 11.28 ? 12 ASP A CA 1
470
+ ATOM 85 C C . ASP A 1 12 ? 13.190 3.781 -5.749 1.00 12.31 ? 12 ASP A C 1
471
+ ATOM 86 O O . ASP A 1 12 ? 13.180 2.801 -5.004 1.00 14.59 ? 12 ASP A O 1
472
+ ATOM 87 C CB . ASP A 1 12 ? 11.972 5.350 -4.189 1.00 15.35 ? 12 ASP A CB 1
473
+ ATOM 88 C CG . ASP A 1 12 ? 10.612 5.257 -4.867 1.00 17.82 ? 12 ASP A CG 1
474
+ ATOM 89 O OD1 . ASP A 1 12 ? 9.607 5.591 -4.202 1.00 25.86 ? 12 ASP A OD1 1
475
+ ATOM 90 O OD2 . ASP A 1 12 ? 10.524 4.838 -6.038 1.00 22.47 ? 12 ASP A OD2 1
476
+ ATOM 91 N N . SER A 1 13 ? 13.244 3.679 -7.072 1.00 11.50 ? 13 SER A N 1
477
+ ATOM 92 C CA . SER A 1 13 ? 13.381 2.374 -7.712 1.00 12.91 ? 13 SER A CA 1
478
+ ATOM 93 C C . SER A 1 13 ? 14.804 2.078 -8.169 1.00 11.37 ? 13 SER A C 1
479
+ ATOM 94 O O . SER A 1 13 ? 15.070 0.988 -8.673 1.00 14.41 ? 13 SER A O 1
480
+ ATOM 95 C CB . SER A 1 13 ? 12.432 2.250 -8.900 1.00 14.73 ? 13 SER A CB 1
481
+ ATOM 96 O OG . SER A 1 13 ? 11.088 2.160 -8.473 1.00 20.12 ? 13 SER A OG 1
482
+ ATOM 97 N N . LEU A 1 14 ? 15.719 3.031 -8.018 1.00 10.22 ? 14 LEU A N 1
483
+ ATOM 98 C CA . LEU A 1 14 ? 17.105 2.811 -8.429 1.00 11.39 ? 14 LEU A CA 1
484
+ ATOM 99 C C . LEU A 1 14 ? 17.876 1.988 -7.407 1.00 12.16 ? 14 LEU A C 1
485
+ ATOM 100 O O . LEU A 1 14 ? 17.762 2.218 -6.199 1.00 13.03 ? 14 LEU A O 1
486
+ ATOM 101 C CB . LEU A 1 14 ? 17.839 4.140 -8.603 1.00 10.01 ? 14 LEU A CB 1
487
+ ATOM 102 C CG . LEU A 1 14 ? 17.267 5.164 -9.575 1.00 10.86 ? 14 LEU A CG 1
488
+ ATOM 103 C CD1 . LEU A 1 14 ? 18.152 6.403 -9.601 1.00 11.42 ? 14 LEU A CD1 1
489
+ ATOM 104 C CD2 . LEU A 1 14 ? 17.103 4.584 -10.969 1.00 13.86 ? 14 LEU A CD2 1
490
+ ATOM 105 N N . SER A 1 15 ? 18.676 1.043 -7.887 1.00 10.18 ? 15 SER A N 1
491
+ ATOM 106 C CA . SER A 1 15 ? 19.700 0.435 -7.052 1.00 10.89 ? 15 SER A CA 1
492
+ ATOM 107 C C . SER A 1 15 ? 20.919 1.351 -7.088 1.00 10.51 ? 15 SER A C 1
493
+ ATOM 108 O O . SER A 1 15 ? 20.847 2.475 -7.581 1.00 10.69 ? 15 SER A O 1
494
+ ATOM 109 C CB . SER A 1 15 ? 20.056 -0.965 -7.564 1.00 12.58 ? 15 SER A CB 1
495
+ ATOM 110 O OG . SER A 1 15 ? 21.006 -0.901 -8.620 1.00 19.80 ? 15 SER A OG 1
496
+ ATOM 111 N N . THR A 1 16 ? 22.049 0.876 -6.590 1.00 10.94 ? 16 THR A N 1
497
+ ATOM 112 C CA . THR A 1 16 ? 23.244 1.707 -6.554 1.00 12.55 ? 16 THR A CA 1
498
+ ATOM 113 C C . THR A 1 16 ? 23.758 2.069 -7.949 1.00 9.00 ? 16 THR A C 1
499
+ ATOM 114 O O . THR A 1 16 ? 24.243 3.178 -8.173 1.00 9.43 ? 16 THR A O 1
500
+ ATOM 115 C CB . THR A 1 16 ? 24.350 1.033 -5.718 1.00 16.78 ? 16 THR A CB 1
501
+ ATOM 116 O OG1 . THR A 1 16 ? 23.932 0.969 -4.348 1.00 24.44 ? 16 THR A OG1 1
502
+ ATOM 117 C CG2 . THR A 1 16 ? 25.631 1.808 -5.793 1.00 21.76 ? 16 THR A CG2 1
503
+ ATOM 118 N N . ASN A 1 17 ? 23.641 1.143 -8.901 1.00 8.91 ? 17 ASN A N 1
504
+ ATOM 119 C CA . ASN A 1 17 ? 24.214 1.363 -10.225 1.00 8.46 ? 17 ASN A CA 1
505
+ ATOM 120 C C . ASN A 1 17 ? 23.289 1.038 -11.386 1.00 9.44 ? 17 ASN A C 1
506
+ ATOM 121 O O . ASN A 1 17 ? 23.660 1.223 -12.543 1.00 10.28 ? 17 ASN A O 1
507
+ ATOM 122 C CB . ASN A 1 17 ? 25.504 0.557 -10.397 1.00 11.20 ? 17 ASN A CB 1
508
+ ATOM 123 C CG . ASN A 1 17 ? 26.482 0.787 -9.277 1.00 13.79 ? 17 ASN A CG 1
509
+ ATOM 124 O OD1 . ASN A 1 17 ? 26.494 0.053 -8.288 1.00 19.06 ? 17 ASN A OD1 1
510
+ ATOM 125 N ND2 . ASN A 1 17 ? 27.301 1.815 -9.418 1.00 12.48 ? 17 ASN A ND2 1
511
+ ATOM 126 N N . ASP A 1 18 ? 22.095 0.539 -11.094 1.00 8.06 ? 18 ASP A N 1
512
+ ATOM 127 C CA . ASP A 1 18 ? 21.200 0.138 -12.156 1.00 8.80 ? 18 ASP A CA 1
513
+ ATOM 128 C C . ASP A 1 18 ? 19.742 0.238 -11.733 1.00 8.53 ? 18 ASP A C 1
514
+ ATOM 129 O O . ASP A 1 18 ? 19.427 0.599 -10.595 1.00 8.77 ? 18 ASP A O 1
515
+ ATOM 130 C CB . ASP A 1 18 ? 21.548 -1.275 -12.679 1.00 8.60 ? 18 ASP A CB 1
516
+ ATOM 131 C CG . ASP A 1 18 ? 21.333 -2.384 -11.658 1.00 10.51 ? 18 ASP A CG 1
517
+ ATOM 132 O OD1 . ASP A 1 18 ? 20.551 -2.232 -10.697 1.00 13.37 ? 18 ASP A OD1 1
518
+ ATOM 133 O OD2 . ASP A 1 18 ? 21.939 -3.466 -11.850 1.00 11.24 ? 18 ASP A OD2 1
519
+ ATOM 134 N N . PHE A 1 19 ? 18.859 -0.077 -12.670 1.00 8.40 ? 19 PHE A N 1
520
+ ATOM 135 C CA . PHE A 1 19 ? 17.455 -0.256 -12.363 1.00 7.99 ? 19 PHE A CA 1
521
+ ATOM 136 C C . PHE A 1 19 ? 16.915 -1.350 -13.272 1.00 9.25 ? 19 PHE A C 1
522
+ ATOM 137 O O . PHE A 1 19 ? 17.502 -1.647 -14.314 1.00 9.12 ? 19 PHE A O 1
523
+ ATOM 138 C CB . PHE A 1 19 ? 16.654 1.050 -12.515 1.00 8.74 ? 19 PHE A CB 1
524
+ ATOM 139 C CG . PHE A 1 19 ? 16.682 1.629 -13.899 1.00 8.88 ? 19 PHE A CG 1
525
+ ATOM 140 C CD1 . PHE A 1 19 ? 15.761 1.224 -14.855 1.00 9.61 ? 19 PHE A CD1 1
526
+ ATOM 141 C CD2 . PHE A 1 19 ? 17.613 2.598 -14.235 1.00 9.56 ? 19 PHE A CD2 1
527
+ ATOM 142 C CE1 . PHE A 1 19 ? 15.789 1.754 -16.121 1.00 10.24 ? 19 PHE A CE1 1
528
+ ATOM 143 C CE2 . PHE A 1 19 ? 17.640 3.133 -15.500 1.00 9.82 ? 19 PHE A CE2 1
529
+ ATOM 144 C CZ . PHE A 1 19 ? 16.725 2.713 -16.446 1.00 9.79 ? 19 PHE A CZ 1
530
+ ATOM 145 N N . LYS A 1 20 ? 15.796 -1.948 -12.880 1.00 8.57 ? 20 LYS A N 1
531
+ ATOM 146 C CA . LYS A 1 20 ? 15.192 -3.019 -13.665 1.00 9.44 ? 20 LYS A CA 1
532
+ ATOM 147 C C . LYS A 1 20 ? 14.447 -2.484 -14.880 1.00 9.20 ? 20 LYS A C 1
533
+ ATOM 148 O O . LYS A 1 20 ? 13.651 -1.555 -14.771 1.00 9.93 ? 20 LYS A O 1
534
+ ATOM 149 C CB . LYS A 1 20 ? 14.249 -3.856 -12.800 1.00 10.64 ? 20 LYS A CB 1
535
+ ATOM 150 C CG . LYS A 1 20 ? 14.977 -4.657 -11.741 1.00 13.23 ? 20 LYS A CG 1
536
+ ATOM 151 C CD . LYS A 1 20 ? 14.035 -5.523 -10.922 1.00 16.91 ? 20 LYS A CD 1
537
+ ATOM 152 C CE . LYS A 1 20 ? 14.830 -6.389 -9.956 1.00 22.24 ? 20 LYS A CE 1
538
+ ATOM 153 N NZ . LYS A 1 20 ? 13.952 -7.201 -9.076 1.00 26.28 ? 20 LYS A NZ 1
539
+ ATOM 154 N N . SER A 1 21 ? 14.709 -3.071 -16.040 1.00 9.28 ? 21 SER A N 1
540
+ ATOM 155 C CA . SER A 1 21 ? 14.070 -2.671 -17.288 1.00 10.14 ? 21 SER A CA 1
541
+ ATOM 156 C C . SER A 1 21 ? 12.549 -2.688 -17.208 1.00 9.92 ? 21 SER A C 1
542
+ ATOM 157 O O . SER A 1 21 ? 11.884 -1.823 -17.782 1.00 10.53 ? 21 SER A O 1
543
+ ATOM 158 C CB . SER A 1 21 ? 14.523 -3.597 -18.416 1.00 10.75 ? 21 SER A CB 1
544
+ ATOM 159 O OG . SER A 1 21 ? 13.939 -3.233 -19.647 1.00 11.65 ? 21 SER A OG 1
545
+ ATOM 160 N N . ILE A 1 22 ? 11.999 -3.666 -16.491 1.00 9.84 ? 22 ILE A N 1
546
+ ATOM 161 C CA . ILE A 1 22 ? 10.552 -3.830 -16.388 1.00 10.88 ? 22 ILE A CA 1
547
+ ATOM 162 C C . ILE A 1 22 ? 9.846 -2.539 -15.972 1.00 10.64 ? 22 ILE A C 1
548
+ ATOM 163 O O . ILE A 1 22 ? 8.722 -2.281 -16.401 1.00 11.73 ? 22 ILE A O 1
549
+ ATOM 164 C CB . ILE A 1 22 ? 10.185 -4.991 -15.420 1.00 11.44 ? 22 ILE A CB 1
550
+ ATOM 165 C CG1 . ILE A 1 22 ? 8.688 -5.310 -15.468 1.00 13.67 ? 22 ILE A CG1 1
551
+ ATOM 166 C CG2 . ILE A 1 22 ? 10.615 -4.679 -13.993 1.00 13.07 ? 22 ILE A CG2 1
552
+ ATOM 167 C CD1 . ILE A 1 22 ? 8.318 -6.571 -14.709 1.00 15.81 ? 22 ILE A CD1 1
553
+ ATOM 168 N N . LEU A 1 23 ? 10.512 -1.723 -15.163 1.00 10.43 ? 23 LEU A N 1
554
+ ATOM 169 C CA . LEU A 1 23 ? 9.918 -0.480 -14.673 1.00 10.89 ? 23 LEU A CA 1
555
+ ATOM 170 C C . LEU A 1 23 ? 9.494 0.458 -15.798 1.00 11.04 ? 23 LEU A C 1
556
+ ATOM 171 O O . LEU A 1 23 ? 8.531 1.207 -15.655 1.00 12.44 ? 23 LEU A O 1
557
+ ATOM 172 C CB . LEU A 1 23 ? 10.900 0.244 -13.754 1.00 11.89 ? 23 LEU A CB 1
558
+ ATOM 173 C CG . LEU A 1 23 ? 11.306 -0.509 -12.491 1.00 13.25 ? 23 LEU A CG 1
559
+ ATOM 174 C CD1 . LEU A 1 23 ? 12.543 0.114 -11.859 1.00 14.50 ? 23 LEU A CD1 1
560
+ ATOM 175 C CD2 . LEU A 1 23 ? 10.148 -0.523 -11.506 1.00 15.50 ? 23 LEU A CD2 1
561
+ ATOM 176 N N . LEU A 1 24 ? 10.210 0.421 -16.914 1.00 10.62 ? 24 LEU A N 1
562
+ ATOM 177 C CA . LEU A 1 24 ? 9.940 1.345 -18.008 1.00 10.72 ? 24 LEU A CA 1
563
+ ATOM 178 C C . LEU A 1 24 ? 8.782 0.910 -18.903 1.00 11.22 ? 24 LEU A C 1
564
+ ATOM 179 O O . LEU A 1 24 ? 8.350 1.671 -19.766 1.00 12.00 ? 24 LEU A O 1
565
+ ATOM 180 C CB . LEU A 1 24 ? 11.198 1.567 -18.846 1.00 10.48 ? 24 LEU A CB 1
566
+ ATOM 181 C CG . LEU A 1 24 ? 12.423 2.098 -18.096 1.00 9.89 ? 24 LEU A CG 1
567
+ ATOM 182 C CD1 . LEU A 1 24 ? 13.595 2.270 -19.055 1.00 11.74 ? 24 LEU A CD1 1
568
+ ATOM 183 C CD2 . LEU A 1 24 ? 12.115 3.406 -17.369 1.00 12.11 ? 24 LEU A CD2 1
569
+ ATOM 184 N N . GLY A 1 25 ? 8.307 -0.319 -18.714 1.00 11.21 ? 25 GLY A N 1
570
+ ATOM 185 C CA . GLY A 1 25 ? 7.104 -0.791 -19.383 1.00 13.75 ? 25 GLY A CA 1
571
+ ATOM 186 C C . GLY A 1 25 ? 7.217 -0.973 -20.886 1.00 12.58 ? 25 GLY A C 1
572
+ ATOM 187 O O . GLY A 1 25 ? 6.199 -1.023 -21.584 1.00 15.29 ? 25 GLY A O 1
573
+ ATOM 188 N N . SER A 1 26 ? 8.439 -1.114 -21.384 1.00 11.52 ? 26 SER A N 1
574
+ ATOM 189 C CA . SER A 1 26 ? 8.687 -1.176 -22.817 1.00 11.55 ? 26 SER A CA 1
575
+ ATOM 190 C C . SER A 1 26 ? 9.207 -2.542 -23.235 1.00 11.20 ? 26 SER A C 1
576
+ ATOM 191 O O . SER A 1 26 ? 10.310 -2.938 -22.857 1.00 11.21 ? 26 SER A O 1
577
+ ATOM 192 C CB . SER A 1 26 ? 9.720 -0.119 -23.216 1.00 11.85 ? 26 SER A CB 1
578
+ ATOM 193 O OG . SER A 1 26 ? 10.131 -0.299 -24.558 1.00 12.24 ? 26 SER A OG 1
579
+ ATOM 194 N N . THR A 1 27 ? 8.426 -3.262 -24.032 1.00 10.93 ? 27 THR A N 1
580
+ ATOM 195 C CA . THR A 1 27 ? 8.881 -4.547 -24.551 1.00 11.71 ? 27 THR A CA 1
581
+ ATOM 196 C C . THR A 1 27 ? 10.183 -4.445 -25.364 1.00 10.14 ? 27 THR A C 1
582
+ ATOM 197 O O . THR A 1 27 ? 11.082 -5.245 -25.142 1.00 10.26 ? 27 THR A O 1
583
+ ATOM 198 C CB . THR A 1 27 ? 7.761 -5.306 -25.290 1.00 11.98 ? 27 THR A CB 1
584
+ ATOM 199 O OG1 . THR A 1 27 ? 6.716 -5.571 -24.351 1.00 14.04 ? 27 THR A OG1 1
585
+ ATOM 200 C CG2 . THR A 1 27 ? 8.268 -6.629 -25.856 1.00 12.43 ? 27 THR A CG2 1
586
+ ATOM 201 N N . PRO A 1 28 ? 10.303 -3.455 -26.278 1.00 10.27 ? 28 PRO A N 1
587
+ ATOM 202 C CA . PRO A 1 28 ? 11.597 -3.297 -26.962 1.00 10.95 ? 28 PRO A CA 1
588
+ ATOM 203 C C . PRO A 1 28 ? 12.804 -3.199 -26.019 1.00 10.11 ? 28 PRO A C 1
589
+ ATOM 204 O O . PRO A 1 28 ? 13.838 -3.793 -26.305 1.00 11.23 ? 28 PRO A O 1
590
+ ATOM 205 C CB . PRO A 1 28 ? 11.413 -1.995 -27.745 1.00 11.40 ? 28 PRO A CB 1
591
+ ATOM 206 C CG . PRO A 1 28 ? 9.963 -2.003 -28.081 1.00 11.63 ? 28 PRO A CG 1
592
+ ATOM 207 C CD . PRO A 1 28 ? 9.282 -2.559 -26.858 1.00 11.76 ? 28 PRO A CD 1
593
+ ATOM 208 N N . LEU A 1 29 ? 12.678 -2.484 -24.906 1.00 10.10 ? 29 LEU A N 1
594
+ ATOM 209 C CA . LEU A 1 29 ? 13.789 -2.390 -23.966 1.00 10.07 ? 29 LEU A CA 1
595
+ ATOM 210 C C . LEU A 1 29 ? 13.998 -3.709 -23.227 1.00 9.75 ? 29 LEU A C 1
596
+ ATOM 211 O O . LEU A 1 29 ? 15.136 -4.140 -23.022 1.00 10.09 ? 29 LEU A O 1
597
+ ATOM 212 C CB . LEU A 1 29 ? 13.564 -1.249 -22.974 1.00 10.54 ? 29 LEU A CB 1
598
+ ATOM 213 C CG . LEU A 1 29 ? 13.475 0.147 -23.600 1.00 10.09 ? 29 LEU A CG 1
599
+ ATOM 214 C CD1 . LEU A 1 29 ? 13.286 1.201 -22.514 1.00 12.73 ? 29 LEU A CD1 1
600
+ ATOM 215 C CD2 . LEU A 1 29 ? 14.698 0.457 -24.464 1.00 12.08 ? 29 LEU A CD2 1
601
+ ATOM 216 N N . ASP A 1 30 ? 12.896 -4.348 -22.839 1.00 10.33 ? 30 ASP A N 1
602
+ ATOM 217 C CA . ASP A 1 30 ? 12.947 -5.626 -22.130 1.00 10.86 ? 30 ASP A CA 1
603
+ ATOM 218 C C . ASP A 1 30 ? 13.639 -6.723 -22.936 1.00 9.93 ? 30 ASP A C 1
604
+ ATOM 219 O O . ASP A 1 30 ? 14.310 -7.581 -22.366 1.00 10.80 ? 30 ASP A O 1
605
+ ATOM 220 C CB . ASP A 1 30 ? 11.536 -6.121 -21.802 1.00 11.23 ? 30 ASP A CB 1
606
+ ATOM 221 C CG . ASP A 1 30 ? 10.813 -5.266 -20.780 1.00 12.25 ? 30 ASP A CG 1
607
+ ATOM 222 O OD1 . ASP A 1 30 ? 9.601 -5.521 -20.583 1.00 13.31 ? 30 ASP A OD1 1
608
+ ATOM 223 O OD2 . ASP A 1 30 ? 11.425 -4.358 -20.172 1.00 13.02 ? 30 ASP A OD2 1
609
+ ATOM 224 N N . ILE A 1 31 ? 13.478 -6.698 -24.254 1.00 10.75 ? 31 ILE A N 1
610
+ ATOM 225 C CA . ILE A 1 31 ? 14.042 -7.749 -25.094 1.00 10.85 ? 31 ILE A CA 1
611
+ ATOM 226 C C . ILE A 1 31 ? 15.359 -7.349 -25.751 1.00 11.16 ? 31 ILE A C 1
612
+ ATOM 227 O O . ILE A 1 31 ? 15.983 -8.158 -26.436 1.00 11.80 ? 31 ILE A O 1
613
+ ATOM 228 C CB . ILE A 1 31 ? 13.045 -8.230 -26.183 1.00 11.88 ? 31 ILE A CB 1
614
+ ATOM 229 C CG1 . ILE A 1 31 ? 12.839 -7.153 -27.251 1.00 12.53 ? 31 ILE A CG1 1
615
+ ATOM 230 C CG2 . ILE A 1 31 ? 11.732 -8.663 -25.547 1.00 13.86 ? 31 ILE A CG2 1
616
+ ATOM 231 C CD1 . ILE A 1 31 ? 11.908 -7.591 -28.386 1.00 14.82 ? 31 ILE A CD1 1
617
+ ATOM 232 N N . ALA A 1 32 ? 15.799 -6.113 -25.526 1.00 10.77 ? 32 ALA A N 1
618
+ ATOM 233 C CA . ALA A 1 32 ? 17.075 -5.653 -26.071 1.00 10.38 ? 32 ALA A CA 1
619
+ ATOM 234 C C . ALA A 1 32 ? 18.215 -6.551 -25.588 1.00 10.52 ? 32 ALA A C 1
620
+ ATOM 235 O O . ALA A 1 32 ? 18.213 -6.999 -24.444 1.00 11.02 ? 32 ALA A O 1
621
+ ATOM 236 C CB . ALA A 1 32 ? 17.334 -4.199 -25.682 1.00 11.59 ? 32 ALA A CB 1
622
+ ATOM 237 N N . PRO A 1 33 ? 19.176 -6.835 -26.473 1.00 11.34 ? 33 PRO A N 1
623
+ ATOM 238 C CA . PRO A 1 33 ? 20.262 -7.753 -26.125 1.00 11.80 ? 33 PRO A CA 1
624
+ ATOM 239 C C . PRO A 1 33 ? 21.268 -7.124 -25.172 1.00 10.43 ? 33 PRO A C 1
625
+ ATOM 240 O O . PRO A 1 33 ? 21.361 -5.899 -25.068 1.00 11.05 ? 33 PRO A O 1
626
+ ATOM 241 C CB . PRO A 1 33 ? 20.927 -8.025 -27.478 1.00 14.29 ? 33 PRO A CB 1
627
+ ATOM 242 C CG . PRO A 1 33 ? 20.663 -6.804 -28.272 1.00 14.71 ? 33 PRO A CG 1
628
+ ATOM 243 C CD . PRO A 1 33 ? 19.287 -6.348 -27.858 1.00 13.19 ? 33 PRO A CD 1
629
+ ATOM 244 N N . ASP A 1 34 ? 22.016 -7.975 -24.485 1.00 11.70 ? 34 ASP A N 1
630
+ ATOM 245 C CA . ASP A 1 34 ? 23.077 -7.529 -23.604 1.00 11.23 ? 34 ASP A CA 1
631
+ ATOM 246 C C . ASP A 1 34 ? 23.997 -6.561 -24.332 1.00 12.16 ? 34 ASP A C 1
632
+ ATOM 247 O O . ASP A 1 34 ? 24.416 -6.817 -25.461 1.00 12.26 ? 34 ASP A O 1
633
+ ATOM 248 C CB . ASP A 1 34 ? 23.885 -8.727 -23.123 1.00 12.95 ? 34 ASP A CB 1
634
+ ATOM 249 C CG . ASP A 1 34 ? 24.760 -8.387 -21.945 1.00 13.46 ? 34 ASP A CG 1
635
+ ATOM 250 O OD1 . ASP A 1 34 ? 24.204 -8.128 -20.859 1.00 12.41 ? 34 ASP A OD1 1
636
+ ATOM 251 O OD2 . ASP A 1 34 ? 26.000 -8.364 -22.088 1.00 15.55 ? 34 ASP A OD2 1
637
+ ATOM 252 N N . GLY A 1 35 ? 24.288 -5.432 -23.693 1.00 10.97 ? 35 GLY A N 1
638
+ ATOM 253 C CA . GLY A 1 35 ? 25.215 -4.467 -24.247 1.00 12.25 ? 35 GLY A CA 1
639
+ ATOM 254 C C . GLY A 1 35 ? 24.602 -3.402 -25.137 1.00 11.77 ? 35 GLY A C 1
640
+ ATOM 255 O O . GLY A 1 35 ? 25.290 -2.462 -25.525 1.00 12.62 ? 35 GLY A O 1
641
+ ATOM 256 N N . ALA A 1 36 ? 23.324 -3.538 -25.474 1.00 10.45 ? 36 ALA A N 1
642
+ ATOM 257 C CA . ALA A 1 36 ? 22.648 -2.504 -26.249 1.00 12.08 ? 36 ALA A CA 1
643
+ ATOM 258 C C . ALA A 1 36 ? 22.696 -1.165 -25.507 1.00 9.96 ? 36 ALA A C 1
644
+ ATOM 259 O O . ALA A 1 36 ? 22.511 -1.120 -24.288 1.00 10.86 ? 36 ALA A O 1
645
+ ATOM 260 C CB . ALA A 1 36 ? 21.213 -2.902 -26.536 1.00 11.44 ? 36 ALA A CB 1
646
+ ATOM 261 N N . VAL A 1 37 ? 22.958 -0.090 -26.242 1.00 10.21 ? 37 VAL A N 1
647
+ ATOM 262 C CA . VAL A 1 37 ? 23.031 1.244 -25.655 1.00 10.28 ? 37 VAL A CA 1
648
+ ATOM 263 C C . VAL A 1 37 ? 21.963 2.134 -26.269 1.00 10.38 ? 37 VAL A C 1
649
+ ATOM 264 O O . VAL A 1 37 ? 21.792 2.169 -27.495 1.00 11.04 ? 37 VAL A O 1
650
+ ATOM 265 C CB . VAL A 1 37 ? 24.429 1.871 -25.839 1.00 10.97 ? 37 VAL A CB 1
651
+ ATOM 266 C CG1 . VAL A 1 37 ? 24.464 3.286 -25.266 1.00 11.23 ? 37 VAL A CG1 1
652
+ ATOM 267 C CG2 . VAL A 1 37 ? 25.482 1.000 -25.180 1.00 13.87 ? 37 VAL A CG2 1
653
+ ATOM 268 N N . PHE A 1 38 ? 21.236 2.837 -25.404 1.00 9.26 ? 38 PHE A N 1
654
+ ATOM 269 C CA . PHE A 1 38 ? 20.186 3.752 -25.820 1.00 9.80 ? 38 PHE A CA 1
655
+ ATOM 270 C C . PHE A 1 38 ? 20.477 5.178 -25.385 1.00 9.04 ? 38 PHE A C 1
656
+ ATOM 271 O O . PHE A 1 38 ? 20.965 5.406 -24.275 1.00 10.53 ? 38 PHE A O 1
657
+ ATOM 272 C CB . PHE A 1 38 ? 18.844 3.319 -25.223 1.00 10.50 ? 38 PHE A CB 1
658
+ ATOM 273 C CG . PHE A 1 38 ? 18.371 1.982 -25.723 1.00 9.83 ? 38 PHE A CG 1
659
+ ATOM 274 C CD1 . PHE A 1 38 ? 17.518 1.894 -26.811 1.00 11.01 ? 38 PHE A CD1 1
660
+ ATOM 275 C CD2 . PHE A 1 38 ? 18.811 0.811 -25.126 1.00 10.92 ? 38 PHE A CD2 1
661
+ ATOM 276 C CE1 . PHE A 1 38 ? 17.095 0.653 -27.285 1.00 11.72 ? 38 PHE A CE1 1
662
+ ATOM 277 C CE2 . PHE A 1 38 ? 18.400 -0.432 -25.594 1.00 11.83 ? 38 PHE A CE2 1
663
+ ATOM 278 C CZ . PHE A 1 38 ? 17.539 -0.510 -26.673 1.00 13.00 ? 38 PHE A CZ 1
664
+ ATOM 279 N N . GLN A 1 39 ? 20.149 6.129 -26.252 1.00 9.28 ? 39 GLN A N 1
665
+ ATOM 280 C CA . GLN A 1 39 ? 20.145 7.531 -25.867 1.00 9.70 ? 39 GLN A CA 1
666
+ ATOM 281 C C . GLN A 1 39 ? 18.715 7.954 -25.553 1.00 9.28 ? 39 GLN A C 1
667
+ ATOM 282 O O . GLN A 1 39 ? 17.772 7.571 -26.252 1.00 10.39 ? 39 GLN A O 1
668
+ ATOM 283 C CB . GLN A 1 39 ? 20.731 8.413 -26.967 1.00 9.97 ? 39 GLN A CB 1
669
+ ATOM 284 C CG . GLN A 1 39 ? 20.826 9.868 -26.550 1.00 11.14 ? 39 GLN A CG 1
670
+ ATOM 285 C CD . GLN A 1 39 ? 21.692 10.685 -27.480 1.00 11.79 ? 39 GLN A CD 1
671
+ ATOM 286 O OE1 . GLN A 1 39 ? 22.835 10.332 -27.736 1.00 13.46 ? 39 GLN A OE1 1
672
+ ATOM 287 N NE2 . GLN A 1 39 ? 21.154 11.785 -27.986 1.00 12.56 ? 39 GLN A NE2 1
673
+ ATOM 288 N N . LEU A 1 40 ? 18.559 8.748 -24.500 1.00 8.23 ? 40 LEU A N 1
674
+ ATOM 289 C CA . LEU A 1 40 ? 17.268 9.247 -24.057 1.00 9.58 ? 40 LEU A CA 1
675
+ ATOM 290 C C . LEU A 1 40 ? 17.038 10.640 -24.617 1.00 9.57 ? 40 LEU A C 1
676
+ ATOM 291 O O . LEU A 1 40 ? 17.993 11.393 -24.801 1.00 10.59 ? 40 LEU A O 1
677
+ ATOM 292 C CB . LEU A 1 40 ? 17.251 9.338 -22.532 1.00 10.53 ? 40 LEU A CB 1
678
+ ATOM 293 C CG . LEU A 1 40 ? 17.649 8.059 -21.795 1.00 9.53 ? 40 LEU A CG 1
679
+ ATOM 294 C CD1 . LEU A 1 40 ? 17.800 8.327 -20.311 1.00 12.22 ? 40 LEU A CD1 1
680
+ ATOM 295 C CD2 . LEU A 1 40 ? 16.633 6.949 -22.045 1.00 12.80 ? 40 LEU A CD2 1
681
+ ATOM 296 N N . ASP A 1 41 ? 15.785 11.003 -24.866 1.00 9.78 ? 41 ASP A N 1
682
+ ATOM 297 C CA . ASP A 1 41 ? 15.471 12.370 -25.283 1.00 10.94 ? 41 ASP A CA 1
683
+ ATOM 298 C C . ASP A 1 41 ? 15.180 13.287 -24.099 1.00 12.43 ? 41 ASP A C 1
684
+ ATOM 299 O O . ASP A 1 41 ? 14.854 14.467 -24.277 1.00 15.48 ? 41 ASP A O 1
685
+ ATOM 300 C CB . ASP A 1 41 ? 14.305 12.414 -26.283 1.00 13.36 ? 41 ASP A CB 1
686
+ ATOM 301 C CG . ASP A 1 41 ? 12.964 12.099 -25.650 1.00 14.45 ? 41 ASP A CG 1
687
+ ATOM 302 O OD1 . ASP A 1 41 ? 12.911 11.441 -24.592 1.00 12.45 ? 41 ASP A OD1 1
688
+ ATOM 303 O OD2 . ASP A 1 41 ? 11.937 12.510 -26.236 1.00 16.28 ? 41 ASP A OD2 1
689
+ ATOM 304 N N . ARG A 1 42 ? 15.303 12.740 -22.895 1.00 11.85 ? 42 ARG A N 1
690
+ ATOM 305 C CA . ARG A 1 42 ? 15.064 13.463 -21.654 1.00 12.27 ? 42 ARG A CA 1
691
+ ATOM 306 C C . ARG A 1 42 ? 16.204 13.114 -20.705 1.00 11.53 ? 42 ARG A C 1
692
+ ATOM 307 O O . ARG A 1 42 ? 16.683 11.980 -20.711 1.00 11.53 ? 42 ARG A O 1
693
+ ATOM 308 C CB . ARG A 1 42 ? 13.706 13.055 -21.076 1.00 12.94 ? 42 ARG A CB 1
694
+ ATOM 309 C CG . ARG A 1 42 ? 12.542 13.482 -21.994 1.00 16.19 ? 42 ARG A CG 1
695
+ ATOM 310 C CD . ARG A 1 42 ? 11.252 12.702 -21.764 1.00 23.52 ? 42 ARG A CD 1
696
+ ATOM 311 N NE . ARG A 1 42 ? 10.240 13.464 -21.032 1.00 29.66 ? 42 ARG A NE 1
697
+ ATOM 312 C CZ . ARG A 1 42 ? 9.125 13.977 -21.556 1.00 22.18 ? 42 ARG A CZ 1
698
+ ATOM 313 N NH1 . ARG A 1 42 ? 8.827 13.825 -22.842 1.00 32.54 ? 42 ARG A NH1 1
699
+ ATOM 314 N NH2 . ARG A 1 42 ? 8.295 14.643 -20.773 1.00 22.54 ? 42 ARG A NH2 1
700
+ ATOM 315 N N . PRO A 1 43 ? 16.656 14.086 -19.899 1.00 9.59 ? 43 PRO A N 1
701
+ ATOM 316 C CA . PRO A 1 43 ? 17.772 13.814 -18.988 1.00 9.58 ? 43 PRO A CA 1
702
+ ATOM 317 C C . PRO A 1 43 ? 17.391 12.887 -17.847 1.00 8.43 ? 43 PRO A C 1
703
+ ATOM 318 O O . PRO A 1 43 ? 16.303 13.008 -17.288 1.00 9.30 ? 43 PRO A O 1
704
+ ATOM 319 C CB . PRO A 1 43 ? 18.108 15.204 -18.432 1.00 10.17 ? 43 PRO A CB 1
705
+ ATOM 320 C CG . PRO A 1 43 ? 16.825 15.963 -18.524 1.00 10.68 ? 43 PRO A CG 1
706
+ ATOM 321 C CD . PRO A 1 43 ? 16.164 15.472 -19.780 1.00 11.37 ? 43 PRO A CD 1
707
+ ATOM 322 N N . LEU A 1 44 ? 18.296 11.970 -17.518 1.00 8.21 ? 44 LEU A N 1
708
+ ATOM 323 C CA . LEU A 1 44 ? 18.186 11.162 -16.325 1.00 8.30 ? 44 LEU A CA 1
709
+ ATOM 324 C C . LEU A 1 44 ? 19.108 11.730 -15.259 1.00 7.75 ? 44 LEU A C 1
710
+ ATOM 325 O O . LEU A 1 44 ? 20.331 11.618 -15.356 1.00 9.18 ? 44 LEU A O 1
711
+ ATOM 326 C CB . LEU A 1 44 ? 18.563 9.719 -16.635 1.00 8.96 ? 44 LEU A CB 1
712
+ ATOM 327 C CG . LEU A 1 44 ? 18.676 8.763 -15.451 1.00 8.83 ? 44 LEU A CG 1
713
+ ATOM 328 C CD1 . LEU A 1 44 ? 17.436 8.782 -14.562 1.00 9.64 ? 44 LEU A CD1 1
714
+ ATOM 329 C CD2 . LEU A 1 44 ? 18.996 7.344 -15.942 1.00 11.58 ? 44 LEU A CD2 1
715
+ ATOM 330 N N . SER A 1 45 ? 18.530 12.371 -14.257 1.00 7.86 ? 45 SER A N 1
716
+ ATOM 331 C CA . SER A 1 45 ? 19.326 12.945 -13.181 1.00 9.15 ? 45 SER A CA 1
717
+ ATOM 332 C C . SER A 1 45 ? 19.559 11.939 -12.080 1.00 8.24 ? 45 SER A C 1
718
+ ATOM 333 O O . SER A 1 45 ? 18.635 11.272 -11.620 1.00 8.95 ? 45 SER A O 1
719
+ ATOM 334 C CB . SER A 1 45 ? 18.677 14.202 -12.613 1.00 13.59 ? 45 SER A CB 1
720
+ ATOM 335 O OG . SER A 1 45 ? 18.869 15.289 -13.498 1.00 15.78 ? 45 SER A OG 1
721
+ ATOM 336 N N . ILE A 1 46 ? 20.812 11.844 -11.670 1.00 7.59 ? 46 ILE A N 1
722
+ ATOM 337 C CA . ILE A 1 46 ? 21.251 10.897 -10.667 1.00 7.21 ? 46 ILE A CA 1
723
+ ATOM 338 C C . ILE A 1 46 ? 21.910 11.655 -9.519 1.00 7.04 ? 46 ILE A C 1
724
+ ATOM 339 O O . ILE A 1 46 ? 22.990 12.244 -9.684 1.00 7.46 ? 46 ILE A O 1
725
+ ATOM 340 C CB . ILE A 1 46 ? 22.261 9.894 -11.276 1.00 8.07 ? 46 ILE A CB 1
726
+ ATOM 341 C CG1 . ILE A 1 46 ? 21.598 9.078 -12.395 1.00 9.55 ? 46 ILE A CG1 1
727
+ ATOM 342 C CG2 . ILE A 1 46 ? 22.865 8.992 -10.194 1.00 8.87 ? 46 ILE A CG2 1
728
+ ATOM 343 C CD1 . ILE A 1 46 ? 20.497 8.146 -11.931 1.00 9.66 ? 46 ILE A CD1 1
729
+ ATOM 344 N N . ASP A 1 47 ? 21.261 11.640 -8.359 1.00 7.02 ? 47 ASP A N 1
730
+ ATOM 345 C CA . ASP A 1 47 ? 21.877 12.154 -7.144 1.00 7.03 ? 47 ASP A CA 1
731
+ ATOM 346 C C . ASP A 1 47 ? 23.006 11.218 -6.736 1.00 7.40 ? 47 ASP A C 1
732
+ ATOM 347 O O . ASP A 1 47 ? 22.833 9.992 -6.738 1.00 7.87 ? 47 ASP A O 1
733
+ ATOM 348 C CB . ASP A 1 47 ? 20.859 12.220 -6.003 1.00 8.02 ? 47 ASP A CB 1
734
+ ATOM 349 C CG . ASP A 1 47 ? 19.910 13.405 -6.108 1.00 8.51 ? 47 ASP A CG 1
735
+ ATOM 350 O OD1 . ASP A 1 47 ? 20.242 14.412 -6.773 1.00 8.90 ? 47 ASP A OD1 1
736
+ ATOM 351 O OD2 . ASP A 1 47 ? 18.829 13.319 -5.487 1.00 9.10 ? 47 ASP A OD2 1
737
+ ATOM 352 N N . TYR A 1 48 ? 24.139 11.796 -6.358 1.00 7.18 ? 48 TYR A N 1
738
+ ATOM 353 C CA . TYR A 1 48 ? 25.298 11.032 -5.937 1.00 7.95 ? 48 TYR A CA 1
739
+ ATOM 354 C C . TYR A 1 48 ? 25.888 11.661 -4.686 1.00 7.04 ? 48 TYR A C 1
740
+ ATOM 355 O O . TYR A 1 48 ? 25.454 12.727 -4.256 1.00 8.11 ? 48 TYR A O 1
741
+ ATOM 356 C CB . TYR A 1 48 ? 26.347 10.970 -7.056 1.00 8.09 ? 48 TYR A CB 1
742
+ ATOM 357 C CG . TYR A 1 48 ? 26.961 12.288 -7.496 1.00 7.73 ? 48 TYR A CG 1
743
+ ATOM 358 C CD1 . TYR A 1 48 ? 26.337 13.086 -8.455 1.00 7.65 ? 48 TYR A CD1 1
744
+ ATOM 359 C CD2 . TYR A 1 48 ? 28.192 12.706 -6.987 1.00 8.09 ? 48 TYR A CD2 1
745
+ ATOM 360 C CE1 . TYR A 1 48 ? 26.911 14.272 -8.882 1.00 7.59 ? 48 TYR A CE1 1
746
+ ATOM 361 C CE2 . TYR A 1 48 ? 28.772 13.885 -7.408 1.00 8.23 ? 48 TYR A CE2 1
747
+ ATOM 362 C CZ . TYR A 1 48 ? 28.129 14.665 -8.355 1.00 7.38 ? 48 TYR A CZ 1
748
+ ATOM 363 O OH . TYR A 1 48 ? 28.724 15.840 -8.765 1.00 8.23 ? 48 TYR A OH 1
749
+ ATOM 364 N N . SER A 1 49 ? 26.881 11.007 -4.105 1.00 7.76 ? 49 SER A N 1
750
+ ATOM 365 C CA . SER A 1 49 ? 27.577 11.573 -2.960 1.00 7.80 ? 49 SER A CA 1
751
+ ATOM 366 C C . SER A 1 49 ? 29.068 11.344 -3.068 1.00 8.89 ? 49 SER A C 1
752
+ ATOM 367 O O . SER A 1 49 ? 29.517 10.221 -3.309 1.00 10.73 ? 49 SER A O 1
753
+ ATOM 368 C CB . SER A 1 49 ? 27.099 10.944 -1.656 1.00 9.54 ? 49 SER A CB 1
754
+ ATOM 369 O OG . SER A 1 49 ? 27.764 11.559 -0.555 1.00 9.06 ? 49 SER A OG 1
755
+ ATOM 370 N N . LEU A 1 50 ? 29.845 12.397 -2.863 1.00 8.20 ? 50 LEU A N 1
756
+ ATOM 371 C CA . LEU A 1 50 ? 31.294 12.257 -2.804 1.00 9.51 ? 50 LEU A CA 1
757
+ ATOM 372 C C . LEU A 1 50 ? 31.785 12.054 -1.372 1.00 10.25 ? 50 LEU A C 1
758
+ ATOM 373 O O . LEU A 1 50 ? 32.985 11.908 -1.133 1.00 11.56 ? 50 LEU A O 1
759
+ ATOM 374 C CB . LEU A 1 50 ? 31.979 13.462 -3.441 1.00 11.60 ? 50 LEU A CB 1
760
+ ATOM 375 C CG . LEU A 1 50 ? 31.646 13.651 -4.921 1.00 13.96 ? 50 LEU A CG 1
761
+ ATOM 376 C CD1 . LEU A 1 50 ? 32.435 14.802 -5.518 1.00 17.03 ? 50 LEU A CD1 1
762
+ ATOM 377 C CD2 . LEU A 1 50 ? 31.888 12.368 -5.703 1.00 15.93 ? 50 LEU A CD2 1
763
+ ATOM 378 N N . GLY A 1 51 ? 30.863 12.044 -0.419 1.00 10.01 ? 51 GLY A N 1
764
+ ATOM 379 C CA . GLY A 1 51 ? 31.206 11.844 0.978 1.00 10.61 ? 51 GLY A CA 1
765
+ ATOM 380 C C . GLY A 1 51 ? 30.307 12.614 1.919 1.00 9.11 ? 51 GLY A C 1
766
+ ATOM 381 O O . GLY A 1 51 ? 29.501 13.453 1.501 1.00 9.11 ? 51 GLY A O 1
767
+ ATOM 382 N N . THR A 1 52 ? 30.444 12.299 3.204 1.00 9.49 ? 52 THR A N 1
768
+ ATOM 383 C CA . THR A 1 52 ? 29.840 13.059 4.293 1.00 9.82 ? 52 THR A CA 1
769
+ ATOM 384 C C . THR A 1 52 ? 28.315 13.053 4.261 1.00 8.22 ? 52 THR A C 1
770
+ ATOM 385 O O . THR A 1 52 ? 27.683 13.914 4.857 1.00 9.06 ? 52 THR A O 1
771
+ ATOM 386 C CB . THR A 1 52 ? 30.330 14.529 4.320 1.00 9.54 ? 52 THR A CB 1
772
+ ATOM 387 O OG1 . THR A 1 52 ? 31.587 14.649 3.637 1.00 10.47 ? 52 THR A OG1 1
773
+ ATOM 388 C CG2 . THR A 1 52 ? 30.483 15.012 5.751 1.00 10.35 ? 52 THR A CG2 1
774
+ ATOM 389 N N . GLY A 1 53 ? 27.731 12.093 3.551 1.00 9.03 ? 53 GLY A N 1
775
+ ATOM 390 C CA . GLY A 1 53 ? 26.288 12.040 3.411 1.00 10.79 ? 53 GLY A CA 1
776
+ ATOM 391 C C . GLY A 1 53 ? 25.702 13.203 2.631 1.00 10.32 ? 53 GLY A C 1
777
+ ATOM 392 O O . GLY A 1 53 ? 24.504 13.444 2.691 1.00 11.92 ? 53 GLY A O 1
778
+ ATOM 393 N N . ASP A 1 54 ? 26.534 13.911 1.880 1.00 9.31 ? 54 ASP A N 1
779
+ ATOM 394 C CA . ASP A 1 54 ? 26.077 15.033 1.077 1.00 9.11 ? 54 ASP A CA 1
780
+ ATOM 395 C C . ASP A 1 54 ? 25.579 14.567 -0.287 1.00 8.52 ? 54 ASP A C 1
781
+ ATOM 396 O O . ASP A 1 54 ? 26.172 13.687 -0.906 1.00 10.12 ? 54 ASP A O 1
782
+ ATOM 397 C CB . ASP A 1 54 ? 27.210 16.042 0.894 1.00 10.05 ? 54 ASP A CB 1
783
+ ATOM 398 C CG . ASP A 1 54 ? 26.883 17.090 -0.147 1.00 8.96 ? 54 ASP A CG 1
784
+ ATOM 399 O OD1 . ASP A 1 54 ? 26.237 18.095 0.210 1.00 10.40 ? 54 ASP A OD1 1
785
+ ATOM 400 O OD2 . ASP A 1 54 ? 27.228 16.912 -1.331 1.00 9.76 ? 54 ASP A OD2 1
786
+ ATOM 401 N N . VAL A 1 55 ? 24.493 15.175 -0.749 1.00 8.14 ? 55 VAL A N 1
787
+ ATOM 402 C CA . VAL A 1 55 ? 23.946 14.924 -2.073 1.00 8.45 ? 55 VAL A CA 1
788
+ ATOM 403 C C . VAL A 1 55 ? 24.429 15.973 -3.073 1.00 8.07 ? 55 VAL A C 1
789
+ ATOM 404 O O . VAL A 1 55 ? 24.363 17.174 -2.789 1.00 8.60 ? 55 VAL A O 1
790
+ ATOM 405 C CB . VAL A 1 55 ? 22.400 14.997 -2.024 1.00 8.78 ? 55 VAL A CB 1
791
+ ATOM 406 C CG1 . VAL A 1 55 ? 21.801 14.896 -3.431 1.00 10.61 ? 55 VAL A CG1 1
792
+ ATOM 407 C CG2 . VAL A 1 55 ? 21.831 13.923 -1.097 1.00 13.02 ? 55 VAL A CG2 1
793
+ ATOM 408 N N . ASP A 1 56 ? 24.892 15.509 -4.233 1.00 7.79 ? 56 ASP A N 1
794
+ ATOM 409 C CA . ASP A 1 56 ? 25.125 16.338 -5.418 1.00 8.08 ? 56 ASP A CA 1
795
+ ATOM 410 C C . ASP A 1 56 ? 24.350 15.703 -6.575 1.00 8.18 ? 56 ASP A C 1
796
+ ATOM 411 O O . ASP A 1 56 ? 23.875 14.580 -6.451 1.00 8.94 ? 56 ASP A O 1
797
+ ATOM 412 C CB . ASP A 1 56 ? 26.614 16.424 -5.774 1.00 8.54 ? 56 ASP A CB 1
798
+ ATOM 413 C CG . ASP A 1 56 ? 27.415 17.255 -4.788 1.00 8.35 ? 56 ASP A CG 1
799
+ ATOM 414 O OD1 . ASP A 1 56 ? 26.844 18.162 -4.145 1.00 9.33 ? 56 ASP A OD1 1
800
+ ATOM 415 O OD2 . ASP A 1 56 ? 28.633 17.009 -4.680 1.00 9.30 ? 56 ASP A OD2 1
801
+ ATOM 416 N N . ARG A 1 57 ? 24.215 16.404 -7.699 1.00 8.40 ? 57 ARG A N 1
802
+ ATOM 417 C CA . ARG A 1 57 ? 23.384 15.899 -8.794 1.00 7.93 ? 57 ARG A CA 1
803
+ ATOM 418 C C . ARG A 1 57 ? 24.127 15.839 -10.125 1.00 8.04 ? 57 ARG A C 1
804
+ ATOM 419 O O . ARG A 1 57 ? 24.799 16.803 -10.522 1.00 7.40 ? 57 ARG A O 1
805
+ ATOM 420 C CB . ARG A 1 57 ? 22.093 16.723 -8.918 1.00 9.48 ? 57 ARG A CB 1
806
+ ATOM 421 C CG . ARG A 1 57 ? 21.151 16.274 -10.032 1.00 9.25 ? 57 ARG A CG 1
807
+ ATOM 422 C CD . ARG A 1 57 ? 19.719 16.718 -9.806 1.00 13.03 ? 57 ARG A CD 1
808
+ ATOM 423 N NE . ARG A 1 57 ? 19.019 15.704 -9.032 1.00 15.37 ? 57 ARG A NE 1
809
+ ATOM 424 C CZ . ARG A 1 57 ? 17.729 15.404 -9.136 1.00 10.48 ? 57 ARG A CZ 1
810
+ ATOM 425 N NH1 . ARG A 1 57 ? 16.915 16.033 -9.982 1.00 13.47 ? 57 ARG A NH1 1
811
+ ATOM 426 N NH2 . ARG A 1 57 ? 17.233 14.460 -8.358 1.00 14.16 ? 57 ARG A NH2 1
812
+ ATOM 427 N N . ALA A 1 58 ? 24.016 14.691 -10.794 1.00 7.23 ? 58 ALA A N 1
813
+ ATOM 428 C CA . ALA A 1 58 ? 24.623 14.457 -12.103 1.00 7.53 ? 58 ALA A CA 1
814
+ ATOM 429 C C . ALA A 1 58 ? 23.533 14.258 -13.160 1.00 6.91 ? 58 ALA A C 1
815
+ ATOM 430 O O . ALA A 1 58 ? 22.390 13.939 -12.828 1.00 8.29 ? 58 ALA A O 1
816
+ ATOM 431 C CB . ALA A 1 58 ? 25.524 13.233 -12.059 1.00 8.04 ? 58 ALA A CB 1
817
+ ATOM 432 N N . VAL A 1 59 ? 23.896 14.405 -14.433 1.00 7.31 ? 59 VAL A N 1
818
+ ATOM 433 C CA . VAL A 1 59 ? 22.981 14.123 -15.539 1.00 8.06 ? 59 VAL A CA 1
819
+ ATOM 434 C C . VAL A 1 59 ? 23.563 13.070 -16.477 1.00 6.99 ? 59 VAL A C 1
820
+ ATOM 435 O O . VAL A 1 59 ? 24.764 13.087 -16.774 1.00 7.89 ? 59 VAL A O 1
821
+ ATOM 436 C CB . VAL A 1 59 ? 22.599 15.410 -16.333 1.00 7.91 ? 59 VAL A CB 1
822
+ ATOM 437 C CG1 . VAL A 1 59 ? 23.826 16.056 -16.990 1.00 9.12 ? 59 VAL A CG1 1
823
+ ATOM 438 C CG2 . VAL A 1 59 ? 21.525 15.112 -17.374 1.00 9.77 ? 59 VAL A CG2 1
824
+ ATOM 439 N N . TYR A 1 60 ? 22.693 12.158 -16.923 1.00 7.36 ? 60 TYR A N 1
825
+ ATOM 440 C CA . TYR A 1 60 ? 23.027 11.136 -17.906 1.00 7.20 ? 60 TYR A CA 1
826
+ ATOM 441 C C . TYR A 1 60 ? 21.983 11.088 -19.012 1.00 7.36 ? 60 TYR A C 1
827
+ ATOM 442 O O . TYR A 1 60 ? 20.807 11.386 -18.795 1.00 8.17 ? 60 TYR A O 1
828
+ ATOM 443 C CB . TYR A 1 60 ? 23.179 9.761 -17.230 1.00 7.77 ? 60 TYR A CB 1
829
+ ATOM 444 C CG . TYR A 1 60 ? 24.353 9.774 -16.291 1.00 7.58 ? 60 TYR A CG 1
830
+ ATOM 445 C CD1 . TYR A 1 60 ? 25.641 9.610 -16.778 1.00 9.06 ? 60 TYR A CD1 1
831
+ ATOM 446 C CD2 . TYR A 1 60 ? 24.189 10.012 -14.934 1.00 8.30 ? 60 TYR A CD2 1
832
+ ATOM 447 C CE1 . TYR A 1 60 ? 26.735 9.672 -15.944 1.00 8.58 ? 60 TYR A CE1 1
833
+ ATOM 448 C CE2 . TYR A 1 60 ? 25.286 10.080 -14.086 1.00 8.75 ? 60 TYR A CE2 1
834
+ ATOM 449 C CZ . TYR A 1 60 ? 26.551 9.909 -14.597 1.00 8.07 ? 60 TYR A CZ 1
835
+ ATOM 450 O OH . TYR A 1 60 ? 27.631 9.966 -13.748 1.00 9.21 ? 60 TYR A OH 1
836
+ ATOM 451 N N . TRP A 1 61 ? 22.428 10.695 -20.202 1.00 7.84 ? 61 TRP A N 1
837
+ ATOM 452 C CA . TRP A 1 61 ? 21.563 10.615 -21.374 1.00 7.95 ? 61 TRP A CA 1
838
+ ATOM 453 C C . TRP A 1 61 ? 21.580 9.235 -22.009 1.00 8.34 ? 61 TRP A C 1
839
+ ATOM 454 O O . TRP A 1 61 ? 20.922 9.030 -23.033 1.00 9.04 ? 61 TRP A O 1
840
+ ATOM 455 C CB . TRP A 1 61 ? 21.984 11.644 -22.425 1.00 8.79 ? 61 TRP A CB 1
841
+ ATOM 456 C CG . TRP A 1 61 ? 22.007 13.047 -21.926 1.00 8.55 ? 61 TRP A CG 1
842
+ ATOM 457 C CD1 . TRP A 1 61 ? 23.069 13.702 -21.372 1.00 9.14 ? 61 TRP A CD1 1
843
+ ATOM 458 C CD2 . TRP A 1 61 ? 20.922 13.975 -21.942 1.00 8.84 ? 61 TRP A CD2 1
844
+ ATOM 459 N NE1 . TRP A 1 61 ? 22.708 14.981 -21.041 1.00 9.58 ? 61 TRP A NE1 1
845
+ ATOM 460 C CE2 . TRP A 1 61 ? 21.398 15.178 -21.382 1.00 10.06 ? 61 TRP A CE2 1
846
+ ATOM 461 C CE3 . TRP A 1 61 ? 19.597 13.915 -22.385 1.00 10.21 ? 61 TRP A CE3 1
847
+ ATOM 462 C CZ2 . TRP A 1 61 ? 20.594 16.308 -21.248 1.00 11.93 ? 61 TRP A CZ2 1
848
+ ATOM 463 C CZ3 . TRP A 1 61 ? 18.801 15.038 -22.248 1.00 12.02 ? 61 TRP A CZ3 1
849
+ ATOM 464 C CH2 . TRP A 1 61 ? 19.304 16.215 -21.681 1.00 11.60 ? 61 TRP A CH2 1
850
+ ATOM 465 N N . HIS A 1 62 ? 22.331 8.308 -21.421 1.00 8.09 ? 62 HIS A N 1
851
+ ATOM 466 C CA . HIS A 1 62 ? 22.551 6.999 -22.026 1.00 8.02 ? 62 HIS A CA 1
852
+ ATOM 467 C C . HIS A 1 62 ? 22.360 5.864 -21.039 1.00 8.23 ? 62 HIS A C 1
853
+ ATOM 468 O O . HIS A 1 62 ? 22.698 5.981 -19.858 1.00 8.83 ? 62 HIS A O 1
854
+ ATOM 469 C CB . HIS A 1 62 ? 23.945 6.928 -22.654 1.00 8.89 ? 62 HIS A CB 1
855
+ ATOM 470 C CG . HIS A 1 62 ? 24.161 7.960 -23.708 1.00 8.83 ? 62 HIS A CG 1
856
+ ATOM 471 N ND1 . HIS A 1 62 ? 24.919 9.098 -23.510 1.00 11.05 ? 62 HIS A ND1 1
857
+ ATOM 472 C CD2 . HIS A 1 62 ? 23.682 8.041 -24.972 1.00 10.74 ? 62 HIS A CD2 1
858
+ ATOM 473 C CE1 . HIS A 1 62 ? 24.898 9.829 -24.609 1.00 11.26 ? 62 HIS A CE1 1
859
+ ATOM 474 N NE2 . HIS A 1 62 ? 24.154 9.214 -25.510 1.00 10.63 ? 62 HIS A NE2 1
860
+ ATOM 475 N N . LEU A 1 63 ? 21.810 4.765 -21.556 1.00 8.40 ? 63 LEU A N 1
861
+ ATOM 476 C CA . LEU A 1 63 ? 21.569 3.537 -20.801 1.00 8.28 ? 63 LEU A CA 1
862
+ ATOM 477 C C . LEU A 1 63 ? 22.191 2.360 -21.530 1.00 8.86 ? 63 LEU A C 1
863
+ ATOM 478 O O . LEU A 1 63 ? 22.124 2.282 -22.760 1.00 10.87 ? 63 LEU A O 1
864
+ ATOM 479 C CB . LEU A 1 63 ? 20.071 3.256 -20.697 1.00 8.61 ? 63 LEU A CB 1
865
+ ATOM 480 C CG . LEU A 1 63 ? 19.167 4.300 -20.058 1.00 8.70 ? 63 LEU A CG 1
866
+ ATOM 481 C CD1 . LEU A 1 63 ? 17.724 3.838 -20.141 1.00 9.99 ? 63 LEU A CD1 1
867
+ ATOM 482 C CD2 . LEU A 1 63 ? 19.576 4.532 -18.617 1.00 10.03 ? 63 LEU A CD2 1
868
+ ATOM 483 N N . LYS A 1 64 ? 22.768 1.436 -20.771 1.00 8.27 ? 64 LYS A N 1
869
+ ATOM 484 C CA . LYS A 1 64 ? 23.326 0.207 -21.333 1.00 8.90 ? 64 LYS A CA 1
870
+ ATOM 485 C C . LYS A 1 64 ? 22.585 -0.984 -20.747 1.00 8.63 ? 64 LYS A C 1
871
+ ATOM 486 O O . LYS A 1 64 ? 22.438 -1.102 -19.528 1.00 8.36 ? 64 LYS A O 1
872
+ ATOM 487 C CB . LYS A 1 64 ? 24.819 0.101 -21.029 1.00 8.91 ? 64 LYS A CB 1
873
+ ATOM 488 C CG . LYS A 1 64 ? 25.460 -1.193 -21.505 1.00 10.82 ? 64 LYS A CG 1
874
+ ATOM 489 C CD . LYS A 1 64 ? 26.935 -1.229 -21.094 1.00 12.18 ? 64 LYS A CD 1
875
+ ATOM 490 C CE . LYS A 1 64 ? 27.552 -2.607 -21.236 1.00 13.58 ? 64 LYS A CE 1
876
+ ATOM 491 N NZ . LYS A 1 64 ? 28.967 -2.552 -20.790 1.00 15.43 ? 64 LYS A NZ 1
877
+ ATOM 492 N N . LYS A 1 65 ? 22.132 -1.875 -21.628 1.00 8.85 ? 65 LYS A N 1
878
+ ATOM 493 C CA . LYS A 1 65 ? 21.380 -3.065 -21.245 1.00 9.16 ? 65 LYS A CA 1
879
+ ATOM 494 C C . LYS A 1 65 ? 22.258 -4.167 -20.655 1.00 9.15 ? 65 LYS A C 1
880
+ ATOM 495 O O . LYS A 1 65 ? 23.325 -4.493 -21.183 1.00 9.53 ? 65 LYS A O 1
881
+ ATOM 496 C CB . LYS A 1 65 ? 20.645 -3.622 -22.472 1.00 9.73 ? 65 LYS A CB 1
882
+ ATOM 497 C CG . LYS A 1 65 ? 19.745 -4.825 -22.203 1.00 9.80 ? 65 LYS A CG 1
883
+ ATOM 498 C CD . LYS A 1 65 ? 18.572 -4.413 -21.339 1.00 11.89 ? 65 LYS A CD 1
884
+ ATOM 499 C CE . LYS A 1 65 ? 17.760 -5.599 -20.867 1.00 12.26 ? 65 LYS A CE 1
885
+ ATOM 500 N NZ . LYS A 1 65 ? 16.830 -6.165 -21.893 1.00 11.70 ? 65 LYS A NZ 1
886
+ ATOM 501 N N . PHE A 1 66 ? 21.782 -4.744 -19.560 1.00 9.14 ? 66 PHE A N 1
887
+ ATOM 502 C CA . PHE A 1 66 ? 22.343 -5.954 -18.981 1.00 9.47 ? 66 PHE A CA 1
888
+ ATOM 503 C C . PHE A 1 66 ? 21.271 -7.027 -19.055 1.00 10.23 ? 66 PHE A C 1
889
+ ATOM 504 O O . PHE A 1 66 ? 20.187 -6.879 -18.493 1.00 9.94 ? 66 PHE A O 1
890
+ ATOM 505 C CB . PHE A 1 66 ? 22.789 -5.688 -17.544 1.00 10.59 ? 66 PHE A CB 1
891
+ ATOM 506 C CG . PHE A 1 66 ? 24.063 -4.894 -17.464 1.00 10.14 ? 66 PHE A CG 1
892
+ ATOM 507 C CD1 . PHE A 1 66 ? 24.081 -3.548 -17.808 1.00 9.85 ? 66 PHE A CD1 1
893
+ ATOM 508 C CD2 . PHE A 1 66 ? 25.252 -5.498 -17.082 1.00 10.63 ? 66 PHE A CD2 1
894
+ ATOM 509 C CE1 . PHE A 1 66 ? 25.252 -2.822 -17.763 1.00 10.28 ? 66 PHE A CE1 1
895
+ ATOM 510 C CE2 . PHE A 1 66 ? 26.424 -4.769 -17.030 1.00 11.22 ? 66 PHE A CE2 1
896
+ ATOM 511 C CZ . PHE A 1 66 ? 26.425 -3.434 -17.370 1.00 11.38 ? 66 PHE A CZ 1
897
+ ATOM 512 N N . ALA A 1 67 ? 21.570 -8.094 -19.792 1.00 10.03 ? 67 ALA A N 1
898
+ ATOM 513 C CA . ALA A 1 67 ? 20.584 -9.128 -20.078 1.00 11.53 ? 67 ALA A CA 1
899
+ ATOM 514 C C . ALA A 1 67 ? 20.050 -9.777 -18.814 1.00 10.22 ? 67 ALA A C 1
900
+ ATOM 515 O O . ALA A 1 67 ? 20.778 -9.988 -17.843 1.00 10.32 ? 67 ALA A O 1
901
+ ATOM 516 C CB . ALA A 1 67 ? 21.168 -10.182 -21.006 1.00 15.14 ? 67 ALA A CB 1
902
+ ATOM 517 N N . GLY A 1 68 ? 18.761 -10.088 -18.830 1.00 10.65 ? 68 GLY A N 1
903
+ ATOM 518 C CA . GLY A 1 68 ? 18.121 -10.670 -17.670 1.00 11.27 ? 68 GLY A CA 1
904
+ ATOM 519 C C . GLY A 1 68 ? 18.313 -12.163 -17.487 1.00 12.79 ? 68 GLY A C 1
905
+ ATOM 520 O O . GLY A 1 68 ? 19.089 -12.803 -18.202 1.00 14.83 ? 68 GLY A O 1
906
+ ATOM 521 N N . ASN A 1 69 ? 17.614 -12.703 -16.495 1.00 13.37 ? 69 ASN A N 1
907
+ ATOM 522 C CA . ASN A 1 69 ? 17.617 -14.137 -16.222 1.00 16.21 ? 69 ASN A CA 1
908
+ ATOM 523 C C . ASN A 1 69 ? 16.213 -14.579 -15.820 1.00 17.65 ? 69 ASN A C 1
909
+ ATOM 524 O O . ASN A 1 69 ? 15.279 -13.788 -15.896 1.00 15.54 ? 69 ASN A O 1
910
+ ATOM 525 C CB . ASN A 1 69 ? 18.664 -14.514 -15.159 1.00 16.55 ? 69 ASN A CB 1
911
+ ATOM 526 C CG . ASN A 1 69 ? 18.393 -13.888 -13.793 1.00 17.14 ? 69 ASN A CG 1
912
+ ATOM 527 O OD1 . ASN A 1 69 ? 17.347 -13.285 -13.553 1.00 17.29 ? 69 ASN A OD1 1
913
+ ATOM 528 N ND2 . ASN A 1 69 ? 19.350 -14.045 -12.882 1.00 20.93 ? 69 ASN A ND2 1
914
+ ATOM 529 N N . ALA A 1 70 ? 16.062 -15.825 -15.378 1.00 18.70 ? 70 ALA A N 1
915
+ ATOM 530 C CA . ALA A 1 70 ? 14.737 -16.358 -15.055 1.00 19.58 ? 70 ALA A CA 1
916
+ ATOM 531 C C . ALA A 1 70 ? 13.956 -15.501 -14.054 1.00 17.95 ? 70 ALA A C 1
917
+ ATOM 532 O O . ALA A 1 70 ? 12.753 -15.291 -14.218 1.00 20.21 ? 70 ALA A O 1
918
+ ATOM 533 C CB . ALA A 1 70 ? 14.846 -17.790 -14.555 1.00 20.81 ? 70 ALA A CB 1
919
+ ATOM 534 N N . GLY A 1 71 ? 14.642 -15.010 -13.025 1.00 17.86 ? 71 GLY A N 1
920
+ ATOM 535 C CA . GLY A 1 71 ? 14.002 -14.201 -12.000 1.00 19.17 ? 71 GLY A CA 1
921
+ ATOM 536 C C . GLY A 1 71 ? 13.664 -12.788 -12.450 1.00 18.78 ? 71 GLY A C 1
922
+ ATOM 537 O O . GLY A 1 71 ? 12.721 -12.178 -11.946 1.00 21.12 ? 71 GLY A O 1
923
+ ATOM 538 N N . THR A 1 72 ? 14.436 -12.275 -13.405 1.00 15.77 ? 72 THR A N 1
924
+ ATOM 539 C CA . THR A 1 72 ? 14.270 -10.913 -13.916 1.00 12.94 ? 72 THR A CA 1
925
+ ATOM 540 C C . THR A 1 72 ? 14.484 -10.947 -15.425 1.00 12.88 ? 72 THR A C 1
926
+ ATOM 541 O O . THR A 1 72 ? 15.537 -10.542 -15.910 1.00 11.83 ? 72 THR A O 1
927
+ ATOM 542 C CB . THR A 1 72 ? 15.301 -9.955 -13.263 1.00 14.07 ? 72 THR A CB 1
928
+ ATOM 543 O OG1 . THR A 1 72 ? 15.226 -10.069 -11.837 1.00 15.65 ? 72 THR A OG1 1
929
+ ATOM 544 C CG2 . THR A 1 72 ? 15.055 -8.499 -13.660 1.00 13.76 ? 72 THR A CG2 1
930
+ ATOM 545 N N . PRO A 1 73 ? 13.495 -11.459 -16.179 1.00 12.66 ? 73 PRO A N 1
931
+ ATOM 546 C CA . PRO A 1 73 ? 13.731 -11.732 -17.601 1.00 12.82 ? 73 PRO A CA 1
932
+ ATOM 547 C C . PRO A 1 73 ? 14.073 -10.486 -18.407 1.00 12.23 ? 73 PRO A C 1
933
+ ATOM 548 O O . PRO A 1 73 ? 14.856 -10.561 -19.348 1.00 13.42 ? 73 PRO A O 1
934
+ ATOM 549 C CB . PRO A 1 73 ? 12.404 -12.340 -18.067 1.00 15.48 ? 73 PRO A CB 1
935
+ ATOM 550 C CG . PRO A 1 73 ? 11.811 -12.925 -16.824 1.00 19.45 ? 73 PRO A CG 1
936
+ ATOM 551 C CD . PRO A 1 73 ? 12.188 -11.972 -15.728 1.00 15.70 ? 73 PRO A CD 1
937
+ ATOM 552 N N . ALA A 1 74 ? 13.495 -9.351 -18.034 1.00 11.35 ? 74 ALA A N 1
938
+ ATOM 553 C CA . ALA A 1 74 ? 13.723 -8.115 -18.769 1.00 10.38 ? 74 ALA A CA 1
939
+ ATOM 554 C C . ALA A 1 74 ? 15.079 -7.473 -18.475 1.00 10.89 ? 74 ALA A C 1
940
+ ATOM 555 O O . ALA A 1 74 ? 15.482 -6.545 -19.169 1.00 11.30 ? 74 ALA A O 1
941
+ ATOM 556 C CB . ALA A 1 74 ? 12.597 -7.126 -18.517 1.00 11.42 ? 74 ALA A CB 1
942
+ ATOM 557 N N . GLY A 1 75 ? 15.776 -7.957 -17.455 1.00 9.73 ? 75 GLY A N 1
943
+ ATOM 558 C CA . GLY A 1 75 ? 17.104 -7.454 -17.165 1.00 8.90 ? 75 GLY A CA 1
944
+ ATOM 559 C C . GLY A 1 75 ? 17.148 -6.056 -16.568 1.00 9.29 ? 75 GLY A C 1
945
+ ATOM 560 O O . GLY A 1 75 ? 16.185 -5.587 -15.955 1.00 9.00 ? 75 GLY A O 1
946
+ ATOM 561 N N . TRP A 1 76 ? 18.288 -5.397 -16.762 1.00 8.74 ? 76 TRP A N 1
947
+ ATOM 562 C CA . TRP A 1 76 ? 18.605 -4.149 -16.084 1.00 9.15 ? 76 TRP A CA 1
948
+ ATOM 563 C C . TRP A 1 76 ? 19.213 -3.159 -17.052 1.00 8.39 ? 76 TRP A C 1
949
+ ATOM 564 O O . TRP A 1 76 ? 19.723 -3.529 -18.112 1.00 9.25 ? 76 TRP A O 1
950
+ ATOM 565 C CB . TRP A 1 76 ? 19.632 -4.394 -14.974 1.00 10.37 ? 76 TRP A CB 1
951
+ ATOM 566 C CG . TRP A 1 76 ? 19.196 -5.373 -13.930 1.00 9.80 ? 76 TRP A CG 1
952
+ ATOM 567 C CD1 . TRP A 1 76 ? 18.605 -5.081 -12.738 1.00 11.43 ? 76 TRP A CD1 1
953
+ ATOM 568 C CD2 . TRP A 1 76 ? 19.317 -6.805 -13.977 1.00 10.01 ? 76 TRP A CD2 1
954
+ ATOM 569 N NE1 . TRP A 1 76 ? 18.349 -6.234 -12.038 1.00 12.34 ? 76 TRP A NE1 1
955
+ ATOM 570 C CE2 . TRP A 1 76 ? 18.784 -7.305 -12.774 1.00 11.87 ? 76 TRP A CE2 1
956
+ ATOM 571 C CE3 . TRP A 1 76 ? 19.842 -7.709 -14.909 1.00 10.74 ? 76 TRP A CE3 1
957
+ ATOM 572 C CZ2 . TRP A 1 76 ? 18.734 -8.672 -12.486 1.00 13.53 ? 76 TRP A CZ2 1
958
+ ATOM 573 C CZ3 . TRP A 1 76 ? 19.798 -9.071 -14.617 1.00 12.52 ? 76 TRP A CZ3 1
959
+ ATOM 574 C CH2 . TRP A 1 76 ? 19.253 -9.534 -13.414 1.00 13.18 ? 76 TRP A CH2 1
960
+ ATOM 575 N N . PHE A 1 77 ? 19.184 -1.885 -16.670 1.00 8.62 ? 77 PHE A N 1
961
+ ATOM 576 C CA . PHE A 1 77 ? 19.975 -0.864 -17.341 1.00 8.58 ? 77 PHE A CA 1
962
+ ATOM 577 C C . PHE A 1 77 ? 20.898 -0.171 -16.358 1.00 8.00 ? 77 PHE A C 1
963
+ ATOM 578 O O . PHE A 1 77 ? 20.496 0.127 -15.234 1.00 8.85 ? 77 PHE A O 1
964
+ ATOM 579 C CB . PHE A 1 77 ? 19.083 0.204 -17.967 1.00 9.06 ? 77 PHE A CB 1
965
+ ATOM 580 C CG . PHE A 1 77 ? 18.384 -0.247 -19.206 1.00 9.15 ? 77 PHE A CG 1
966
+ ATOM 581 C CD1 . PHE A 1 77 ? 19.049 -0.264 -20.416 1.00 8.95 ? 77 PHE A CD1 1
967
+ ATOM 582 C CD2 . PHE A 1 77 ? 17.066 -0.660 -19.164 1.00 9.81 ? 77 PHE A CD2 1
968
+ ATOM 583 C CE1 . PHE A 1 77 ? 18.417 -0.680 -21.575 1.00 9.84 ? 77 PHE A CE1 1
969
+ ATOM 584 C CE2 . PHE A 1 77 ? 16.417 -1.082 -20.325 1.00 10.52 ? 77 PHE A CE2 1
970
+ ATOM 585 C CZ . PHE A 1 77 ? 17.099 -1.091 -21.530 1.00 11.07 ? 77 PHE A CZ 1
971
+ ATOM 586 N N . ARG A 1 78 ? 22.128 0.102 -16.790 1.00 7.97 ? 78 ARG A N 1
972
+ ATOM 587 C CA . ARG A 1 78 ? 22.996 1.068 -16.117 1.00 8.05 ? 78 ARG A CA 1
973
+ ATOM 588 C C . ARG A 1 78 ? 22.987 2.382 -16.875 1.00 8.61 ? 78 ARG A C 1
974
+ ATOM 589 O O . ARG A 1 78 ? 23.016 2.402 -18.098 1.00 10.46 ? 78 ARG A O 1
975
+ ATOM 590 C CB . ARG A 1 78 ? 24.436 0.556 -16.024 1.00 8.28 ? 78 ARG A CB 1
976
+ ATOM 591 C CG . ARG A 1 78 ? 24.620 -0.607 -15.091 1.00 9.04 ? 78 ARG A CG 1
977
+ ATOM 592 C CD . ARG A 1 78 ? 26.081 -0.853 -14.766 1.00 9.14 ? 78 ARG A CD 1
978
+ ATOM 593 N NE . ARG A 1 78 ? 26.206 -2.061 -13.963 1.00 9.51 ? 78 ARG A NE 1
979
+ ATOM 594 C CZ . ARG A 1 78 ? 27.271 -2.855 -13.943 1.00 9.56 ? 78 ARG A CZ 1
980
+ ATOM 595 N NH1 . ARG A 1 78 ? 28.341 -2.566 -14.669 1.00 10.00 ? 78 ARG A NH1 1
981
+ ATOM 596 N NH2 . ARG A 1 78 ? 27.246 -3.948 -13.189 1.00 10.85 ? 78 ARG A NH2 1
982
+ ATOM 597 N N . TRP A 1 79 ? 22.952 3.490 -16.141 1.00 8.50 ? 79 TRP A N 1
983
+ ATOM 598 C CA . TRP A 1 79 ? 23.145 4.810 -16.743 1.00 7.78 ? 79 TRP A CA 1
984
+ ATOM 599 C C . TRP A 1 79 ? 24.635 5.090 -16.910 1.00 7.92 ? 79 TRP A C 1
985
+ ATOM 600 O O . TRP A 1 79 ? 25.465 4.568 -16.163 1.00 8.47 ? 79 TRP A O 1
986
+ ATOM 601 C CB . TRP A 1 79 ? 22.501 5.905 -15.878 1.00 8.09 ? 79 TRP A CB 1
987
+ ATOM 602 C CG . TRP A 1 79 ? 22.985 5.883 -14.462 1.00 7.98 ? 79 TRP A CG 1
988
+ ATOM 603 C CD1 . TRP A 1 79 ? 24.083 6.524 -13.962 1.00 7.91 ? 79 TRP A CD1 1
989
+ ATOM 604 C CD2 . TRP A 1 79 ? 22.407 5.160 -13.365 1.00 8.13 ? 79 TRP A CD2 1
990
+ ATOM 605 N NE1 . TRP A 1 79 ? 24.221 6.246 -12.624 1.00 8.53 ? 79 TRP A NE1 1
991
+ ATOM 606 C CE2 . TRP A 1 79 ? 23.205 5.417 -12.230 1.00 7.92 ? 79 TRP A CE2 1
992
+ ATOM 607 C CE3 . TRP A 1 79 ? 21.293 4.325 -13.231 1.00 8.05 ? 79 TRP A CE3 1
993
+ ATOM 608 C CZ2 . TRP A 1 79 ? 22.928 4.862 -10.979 1.00 8.35 ? 79 TRP A CZ2 1
994
+ ATOM 609 C CZ3 . TRP A 1 79 ? 21.015 3.788 -11.989 1.00 7.84 ? 79 TRP A CZ3 1
995
+ ATOM 610 C CH2 . TRP A 1 79 ? 21.827 4.058 -10.879 1.00 8.77 ? 79 TRP A CH2 1
996
+ ATOM 611 N N . GLY A 1 80 ? 24.975 5.923 -17.884 1.00 8.29 ? 80 GLY A N 1
997
+ ATOM 612 C CA . GLY A 1 80 ? 26.359 6.270 -18.113 1.00 8.57 ? 80 GLY A CA 1
998
+ ATOM 613 C C . GLY A 1 80 ? 26.517 7.133 -19.339 1.00 8.50 ? 80 GLY A C 1
999
+ ATOM 614 O O . GLY A 1 80 ? 25.574 7.788 -19.792 1.00 9.43 ? 80 GLY A O 1
1000
+ ATOM 615 N N . ILE A 1 81 ? 27.737 7.122 -19.867 1.00 9.73 ? 81 ILE A N 1
1001
+ ATOM 616 C CA . ILE A 1 81 ? 28.130 7.964 -20.981 1.00 10.10 ? 81 ILE A CA 1
1002
+ ATOM 617 C C . ILE A 1 81 ? 28.429 7.118 -22.213 1.00 11.06 ? 81 ILE A C 1
1003
+ ATOM 618 O O . ILE A 1 81 ? 29.229 6.176 -22.153 1.00 11.56 ? 81 ILE A O 1
1004
+ ATOM 619 C CB . ILE A 1 81 ? 29.400 8.768 -20.619 1.00 12.12 ? 81 ILE A CB 1
1005
+ ATOM 620 C CG1 . ILE A 1 81 ? 29.065 9.866 -19.612 1.00 13.49 ? 81 ILE A CG1 1
1006
+ ATOM 621 C CG2 . ILE A 1 81 ? 30.065 9.347 -21.860 1.00 14.56 ? 81 ILE A CG2 1
1007
+ ATOM 622 C CD1 . ILE A 1 81 ? 30.264 10.698 -19.218 1.00 16.84 ? 81 ILE A CD1 1
1008
+ ATOM 623 N N . TRP A 1 82 ? 27.790 7.462 -23.325 1.00 11.10 ? 82 TRP A N 1
1009
+ ATOM 624 C CA . TRP A 1 82 ? 28.125 6.882 -24.618 1.00 12.64 ? 82 TRP A CA 1
1010
+ ATOM 625 C C . TRP A 1 82 ? 28.983 7.851 -25.414 1.00 13.34 ? 82 TRP A C 1
1011
+ ATOM 626 O O . TRP A 1 82 ? 28.581 8.985 -25.678 1.00 14.63 ? 82 TRP A O 1
1012
+ ATOM 627 C CB . TRP A 1 82 ? 26.857 6.565 -25.399 1.00 12.46 ? 82 TRP A CB 1
1013
+ ATOM 628 C CG . TRP A 1 82 ? 27.094 6.088 -26.799 1.00 14.64 ? 82 TRP A CG 1
1014
+ ATOM 629 C CD1 . TRP A 1 82 ? 26.811 6.760 -27.954 1.00 16.19 ? 82 TRP A CD1 1
1015
+ ATOM 630 C CD2 . TRP A 1 82 ? 27.646 4.829 -27.190 1.00 13.78 ? 82 TRP A CD2 1
1016
+ ATOM 631 N NE1 . TRP A 1 82 ? 27.153 5.990 -29.043 1.00 17.26 ? 82 TRP A NE1 1
1017
+ ATOM 632 C CE2 . TRP A 1 82 ? 27.669 4.802 -28.600 1.00 17.23 ? 82 TRP A CE2 1
1018
+ ATOM 633 C CE3 . TRP A 1 82 ? 28.127 3.724 -26.487 1.00 13.85 ? 82 TRP A CE3 1
1019
+ ATOM 634 C CZ2 . TRP A 1 82 ? 28.154 3.712 -29.317 1.00 18.88 ? 82 TRP A CZ2 1
1020
+ ATOM 635 C CZ3 . TRP A 1 82 ? 28.606 2.637 -27.201 1.00 17.17 ? 82 TRP A CZ3 1
1021
+ ATOM 636 C CH2 . TRP A 1 82 ? 28.615 2.642 -28.602 1.00 17.48 ? 82 TRP A CH2 1
1022
+ ATOM 637 N N . ASP A 1 83 ? 30.172 7.388 -25.784 1.00 15.18 ? 83 ASP A N 1
1023
+ ATOM 638 C CA . ASP A 1 83 ? 31.079 8.121 -26.657 1.00 19.56 ? 83 ASP A CA 1
1024
+ ATOM 639 C C . ASP A 1 83 ? 30.816 7.631 -28.077 1.00 20.54 ? 83 ASP A C 1
1025
+ ATOM 640 O O . ASP A 1 83 ? 31.184 6.513 -28.429 1.00 19.94 ? 83 ASP A O 1
1026
+ ATOM 641 C CB . ASP A 1 83 ? 32.532 7.842 -26.242 1.00 20.97 ? 83 ASP A CB 1
1027
+ ATOM 642 C CG . ASP A 1 83 ? 33.543 8.735 -26.954 1.00 27.14 ? 83 ASP A CG 1
1028
+ ATOM 643 O OD1 . ASP A 1 83 ? 33.307 9.122 -28.119 1.00 28.07 ? 83 ASP A OD1 1
1029
+ ATOM 644 O OD2 . ASP A 1 83 ? 34.590 9.041 -26.342 1.00 29.24 ? 83 ASP A OD2 1
1030
+ ATOM 645 N N . ASN A 1 84 ? 30.165 8.467 -28.881 1.00 23.16 ? 84 ASN A N 1
1031
+ ATOM 646 C CA . ASN A 1 84 ? 29.731 8.074 -30.222 1.00 27.48 ? 84 ASN A CA 1
1032
+ ATOM 647 C C . ASN A 1 84 ? 30.865 7.968 -31.241 1.00 33.76 ? 84 ASN A C 1
1033
+ ATOM 648 O O . ASN A 1 84 ? 30.685 7.407 -32.321 1.00 36.12 ? 84 ASN A O 1
1034
+ ATOM 649 C CB . ASN A 1 84 ? 28.657 9.038 -30.731 1.00 29.74 ? 84 ASN A CB 1
1035
+ ATOM 650 C CG . ASN A 1 84 ? 29.088 10.487 -30.635 1.00 34.74 ? 84 ASN A CG 1
1036
+ ATOM 651 O OD1 . ASN A 1 84 ? 29.303 11.008 -29.540 1.00 32.54 ? 84 ASN A OD1 1
1037
+ ATOM 652 N ND2 . ASN A 1 84 ? 29.209 11.150 -31.781 1.00 35.37 ? 84 ASN A ND2 1
1038
+ ATOM 653 N N . PHE A 1 85 ? 32.024 8.518 -30.896 1.00 32.61 ? 85 PHE A N 1
1039
+ ATOM 654 C CA . PHE A 1 85 ? 33.199 8.439 -31.753 1.00 37.95 ? 85 PHE A CA 1
1040
+ ATOM 655 C C . PHE A 1 85 ? 33.926 7.121 -31.509 1.00 36.46 ? 85 PHE A C 1
1041
+ ATOM 656 O O . PHE A 1 85 ? 34.075 6.306 -32.422 1.00 40.85 ? 85 PHE A O 1
1042
+ ATOM 657 C CB . PHE A 1 85 ? 34.121 9.644 -31.511 1.00 43.03 ? 85 PHE A CB 1
1043
+ ATOM 658 C CG . PHE A 1 85 ? 35.526 9.467 -32.037 1.00 52.82 ? 85 PHE A CG 1
1044
+ ATOM 659 C CD1 . PHE A 1 85 ? 35.762 8.921 -33.294 1.00 57.33 ? 85 PHE A CD1 1
1045
+ ATOM 660 C CD2 . PHE A 1 85 ? 36.611 9.884 -31.281 1.00 55.85 ? 85 PHE A CD2 1
1046
+ ATOM 661 C CE1 . PHE A 1 85 ? 37.056 8.768 -33.767 1.00 61.69 ? 85 PHE A CE1 1
1047
+ ATOM 662 C CE2 . PHE A 1 85 ? 37.903 9.739 -31.751 1.00 61.61 ? 85 PHE A CE2 1
1048
+ ATOM 663 C CZ . PHE A 1 85 ? 38.126 9.182 -32.994 1.00 63.49 ? 85 PHE A CZ 1
1049
+ ATOM 664 N N . ASN A 1 86 ? 34.367 6.915 -30.273 1.00 33.64 ? 86 ASN A N 1
1050
+ ATOM 665 C CA . ASN A 1 86 ? 35.109 5.714 -29.908 1.00 29.80 ? 86 ASN A CA 1
1051
+ ATOM 666 C C . ASN A 1 86 ? 34.221 4.488 -29.736 1.00 27.07 ? 86 ASN A C 1
1052
+ ATOM 667 O O . ASN A 1 86 ? 34.720 3.368 -29.574 1.00 28.31 ? 86 ASN A O 1
1053
+ ATOM 668 C CB . ASN A 1 86 ? 35.918 5.963 -28.636 1.00 30.57 ? 86 ASN A CB 1
1054
+ ATOM 669 C CG . ASN A 1 86 ? 37.013 6.987 -28.842 1.00 38.29 ? 86 ASN A CG 1
1055
+ ATOM 670 O OD1 . ASN A 1 86 ? 37.870 6.826 -29.712 1.00 44.41 ? 86 ASN A OD1 1
1056
+ ATOM 671 N ND2 . ASN A 1 86 ? 36.981 8.057 -28.057 1.00 36.99 ? 86 ASN A ND2 1
1057
+ ATOM 672 N N . LYS A 1 87 ? 32.909 4.714 -29.774 1.00 25.31 ? 87 LYS A N 1
1058
+ ATOM 673 C CA . LYS A 1 87 ? 31.919 3.653 -29.612 1.00 26.46 ? 87 LYS A CA 1
1059
+ ATOM 674 C C . LYS A 1 87 ? 32.101 2.950 -28.272 1.00 22.62 ? 87 LYS A C 1
1060
+ ATOM 675 O O . LYS A 1 87 ? 32.179 1.725 -28.215 1.00 22.38 ? 87 LYS A O 1
1061
+ ATOM 676 C CB . LYS A 1 87 ? 32.008 2.633 -30.756 1.00 29.50 ? 87 LYS A CB 1
1062
+ ATOM 677 C CG . LYS A 1 87 ? 31.808 3.216 -32.152 1.00 33.20 ? 87 LYS A CG 1
1063
+ ATOM 678 C CD . LYS A 1 87 ? 30.446 3.878 -32.300 1.00 34.73 ? 87 LYS A CD 1
1064
+ ATOM 679 C CE . LYS A 1 87 ? 30.242 4.419 -33.713 1.00 39.23 ? 87 LYS A CE 1
1065
+ ATOM 680 N NZ . LYS A 1 87 ? 29.642 5.786 -33.715 1.00 40.58 ? 87 LYS A NZ 1
1066
+ ATOM 681 N N . THR A 1 88 ? 32.179 3.728 -27.195 1.00 19.25 ? 88 THR A N 1
1067
+ ATOM 682 C CA . THR A 1 88 ? 32.369 3.160 -25.864 1.00 15.84 ? 88 THR A CA 1
1068
+ ATOM 683 C C . THR A 1 88 ? 31.309 3.658 -24.890 1.00 14.08 ? 88 THR A C 1
1069
+ ATOM 684 O O . THR A 1 88 ? 30.885 4.810 -24.955 1.00 15.49 ? 88 THR A O 1
1070
+ ATOM 685 C CB . THR A 1 88 ? 33.746 3.519 -25.282 1.00 18.18 ? 88 THR A CB 1
1071
+ ATOM 686 O OG1 . THR A 1 88 ? 33.822 4.935 -25.090 1.00 21.37 ? 88 THR A OG1 1
1072
+ ATOM 687 C CG2 . THR A 1 88 ? 34.863 3.074 -26.217 1.00 21.63 ? 88 THR A CG2 1
1073
+ ATOM 688 N N . PHE A 1 89 ? 30.903 2.781 -23.986 1.00 12.29 ? 89 PHE A N 1
1074
+ ATOM 689 C CA . PHE A 1 89 ? 30.020 3.155 -22.894 1.00 11.74 ? 89 PHE A CA 1
1075
+ ATOM 690 C C . PHE A 1 89 ? 30.811 3.096 -21.603 1.00 12.29 ? 89 PHE A C 1
1076
+ ATOM 691 O O . PHE A 1 89 ? 31.562 2.146 -21.371 1.00 13.37 ? 89 PHE A O 1
1077
+ ATOM 692 C CB . PHE A 1 89 ? 28.824 2.206 -22.809 1.00 11.94 ? 89 PHE A CB 1
1078
+ ATOM 693 C CG . PHE A 1 89 ? 27.810 2.595 -21.763 1.00 10.16 ? 89 PHE A CG 1
1079
+ ATOM 694 C CD1 . PHE A 1 89 ? 27.911 2.128 -20.467 1.00 10.07 ? 89 PHE A CD1 1
1080
+ ATOM 695 C CD2 . PHE A 1 89 ? 26.752 3.426 -22.085 1.00 10.71 ? 89 PHE A CD2 1
1081
+ ATOM 696 C CE1 . PHE A 1 89 ? 26.975 2.486 -19.507 1.00 10.33 ? 89 PHE A CE1 1
1082
+ ATOM 697 C CE2 . PHE A 1 89 ? 25.811 3.783 -21.130 1.00 10.78 ? 89 PHE A CE2 1
1083
+ ATOM 698 C CZ . PHE A 1 89 ? 25.926 3.311 -19.847 1.00 9.19 ? 89 PHE A CZ 1
1084
+ ATOM 699 N N . THR A 1 90 ? 30.641 4.117 -20.768 1.00 10.67 ? 90 THR A N 1
1085
+ ATOM 700 C CA . THR A 1 90 ? 31.258 4.160 -19.454 1.00 11.05 ? 90 THR A CA 1
1086
+ ATOM 701 C C . THR A 1 90 ? 30.163 4.328 -18.400 1.00 9.82 ? 90 THR A C 1
1087
+ ATOM 702 O O . THR A 1 90 ? 29.358 5.255 -18.488 1.00 9.73 ? 90 THR A O 1
1088
+ ATOM 703 C CB . THR A 1 90 ? 32.243 5.337 -19.363 1.00 11.80 ? 90 THR A CB 1
1089
+ ATOM 704 O OG1 . THR A 1 90 ? 33.209 5.227 -20.421 1.00 12.91 ? 90 THR A OG1 1
1090
+ ATOM 705 C CG2 . THR A 1 90 ? 32.961 5.320 -18.025 1.00 13.92 ? 90 THR A CG2 1
1091
+ ATOM 706 N N . ASP A 1 91 ? 30.110 3.432 -17.423 1.00 9.87 ? 91 ASP A N 1
1092
+ ATOM 707 C CA . ASP A 1 91 ? 29.089 3.521 -16.383 1.00 9.56 ? 91 ASP A CA 1
1093
+ ATOM 708 C C . ASP A 1 91 ? 29.209 4.851 -15.653 1.00 8.58 ? 91 ASP A C 1
1094
+ ATOM 709 O O . ASP A 1 91 ? 30.309 5.359 -15.456 1.00 9.41 ? 91 ASP A O 1
1095
+ ATOM 710 C CB . ASP A 1 91 ? 29.251 2.410 -15.343 1.00 10.35 ? 91 ASP A CB 1
1096
+ ATOM 711 C CG . ASP A 1 91 ? 28.998 1.017 -15.893 1.00 10.16 ? 91 ASP A CG 1
1097
+ ATOM 712 O OD1 . ASP A 1 91 ? 28.533 0.867 -17.040 1.00 10.96 ? 91 ASP A OD1 1
1098
+ ATOM 713 O OD2 . ASP A 1 91 ? 29.267 0.060 -15.129 1.00 10.59 ? 91 ASP A OD2 1
1099
+ ATOM 714 N N . GLY A 1 92 ? 28.076 5.389 -15.222 1.00 8.91 ? 92 GLY A N 1
1100
+ ATOM 715 C CA . GLY A 1 92 ? 28.062 6.634 -14.475 1.00 8.57 ? 92 GLY A CA 1
1101
+ ATOM 716 C C . GLY A 1 92 ? 28.289 6.433 -12.990 1.00 7.89 ? 92 GLY A C 1
1102
+ ATOM 717 O O . GLY A 1 92 ? 28.618 5.346 -12.519 1.00 8.94 ? 92 GLY A O 1
1103
+ ATOM 718 N N . VAL A 1 93 ? 28.087 7.505 -12.242 1.00 8.54 ? 93 VAL A N 1
1104
+ ATOM 719 C CA . VAL A 1 93 ? 28.309 7.509 -10.810 1.00 8.84 ? 93 VAL A CA 1
1105
+ ATOM 720 C C . VAL A 1 93 ? 27.206 6.726 -10.098 1.00 8.56 ? 93 VAL A C 1
1106
+ ATOM 721 O O . VAL A 1 93 ? 26.079 6.650 -10.579 1.00 8.77 ? 93 VAL A O 1
1107
+ ATOM 722 C CB . VAL A 1 93 ? 28.350 8.976 -10.288 1.00 9.40 ? 93 VAL A CB 1
1108
+ ATOM 723 C CG1 . VAL A 1 93 ? 26.979 9.642 -10.390 1.00 10.10 ? 93 VAL A CG1 1
1109
+ ATOM 724 C CG2 . VAL A 1 93 ? 28.906 9.047 -8.869 1.00 9.87 ? 93 VAL A CG2 1
1110
+ ATOM 725 N N . ALA A 1 94 ? 27.523 6.152 -8.946 1.00 8.83 ? 94 ALA A N 1
1111
+ ATOM 726 C CA . ALA A 1 94 ? 26.524 5.454 -8.152 1.00 9.17 ? 94 ALA A CA 1
1112
+ ATOM 727 C C . ALA A 1 94 ? 25.451 6.414 -7.651 1.00 8.24 ? 94 ALA A C 1
1113
+ ATOM 728 O O . ALA A 1 94 ? 25.742 7.560 -7.292 1.00 8.53 ? 94 ALA A O 1
1114
+ ATOM 729 C CB . ALA A 1 94 ? 27.191 4.776 -6.978 1.00 10.40 ? 94 ALA A CB 1
1115
+ ATOM 730 N N . TYR A 1 95 ? 24.219 5.923 -7.609 1.00 8.45 ? 95 TYR A N 1
1116
+ ATOM 731 C CA . TYR A 1 95 ? 23.106 6.659 -7.039 1.00 8.02 ? 95 TYR A CA 1
1117
+ ATOM 732 C C . TYR A 1 95 ? 23.180 6.633 -5.519 1.00 8.52 ? 95 TYR A C 1
1118
+ ATOM 733 O O . TYR A 1 95 ? 23.415 5.577 -4.918 1.00 9.92 ? 95 TYR A O 1
1119
+ ATOM 734 C CB . TYR A 1 95 ? 21.780 6.051 -7.502 1.00 9.25 ? 95 TYR A CB 1
1120
+ ATOM 735 C CG . TYR A 1 95 ? 20.581 6.727 -6.871 1.00 9.32 ? 95 TYR A CG 1
1121
+ ATOM 736 C CD1 . TYR A 1 95 ? 20.241 8.025 -7.215 1.00 9.49 ? 95 TYR A CD1 1
1122
+ ATOM 737 C CD2 . TYR A 1 95 ? 19.802 6.077 -5.923 1.00 10.76 ? 95 TYR A CD2 1
1123
+ ATOM 738 C CE1 . TYR A 1 95 ? 19.159 8.664 -6.639 1.00 9.08 ? 95 TYR A CE1 1
1124
+ ATOM 739 C CE2 . TYR A 1 95 ? 18.703 6.711 -5.337 1.00 10.42 ? 95 TYR A CE2 1
1125
+ ATOM 740 C CZ . TYR A 1 95 ? 18.396 8.009 -5.703 1.00 9.20 ? 95 TYR A CZ 1
1126
+ ATOM 741 O OH . TYR A 1 95 ? 17.326 8.672 -5.151 1.00 10.08 ? 95 TYR A OH 1
1127
+ ATOM 742 N N . TYR A 1 96 ? 22.986 7.797 -4.900 1.00 8.35 ? 96 TYR A N 1
1128
+ ATOM 743 C CA . TYR A 1 96 ? 22.997 7.918 -3.453 1.00 9.30 ? 96 TYR A CA 1
1129
+ ATOM 744 C C . TYR A 1 96 ? 21.583 8.176 -2.938 1.00 9.17 ? 96 TYR A C 1
1130
+ ATOM 745 O O . TYR A 1 96 ? 20.974 9.192 -3.257 1.00 9.52 ? 96 TYR A O 1
1131
+ ATOM 746 C CB . TYR A 1 96 ? 23.935 9.055 -3.038 1.00 10.43 ? 96 TYR A CB 1
1132
+ ATOM 747 C CG . TYR A 1 96 ? 23.901 9.374 -1.562 1.00 10.79 ? 96 TYR A CG 1
1133
+ ATOM 748 C CD1 . TYR A 1 96 ? 24.287 8.441 -0.618 1.00 13.08 ? 96 TYR A CD1 1
1134
+ ATOM 749 C CD2 . TYR A 1 96 ? 23.480 10.617 -1.117 1.00 12.59 ? 96 TYR A CD2 1
1135
+ ATOM 750 C CE1 . TYR A 1 96 ? 24.245 8.736 0.739 1.00 14.64 ? 96 TYR A CE1 1
1136
+ ATOM 751 C CE2 . TYR A 1 96 ? 23.441 10.923 0.235 1.00 15.09 ? 96 TYR A CE2 1
1137
+ ATOM 752 C CZ . TYR A 1 96 ? 23.820 9.975 1.151 1.00 12.41 ? 96 TYR A CZ 1
1138
+ ATOM 753 O OH . TYR A 1 96 ? 23.778 10.259 2.499 1.00 13.87 ? 96 TYR A OH 1
1139
+ ATOM 754 N N . SER A 1 97 ? 21.067 7.250 -2.140 1.00 11.11 ? 97 SER A N 1
1140
+ ATOM 755 C CA . SER A 1 97 ? 19.726 7.359 -1.578 1.00 12.15 ? 97 SER A CA 1
1141
+ ATOM 756 C C . SER A 1 97 ? 19.822 7.820 -0.135 1.00 15.01 ? 97 SER A C 1
1142
+ ATOM 757 O O . SER A 1 97 ? 20.470 7.164 0.681 1.00 15.75 ? 97 SER A O 1
1143
+ ATOM 758 C CB . SER A 1 97 ? 19.038 6.000 -1.640 1.00 15.58 ? 97 SER A CB 1
1144
+ ATOM 759 O OG . SER A 1 97 ? 17.718 6.079 -1.131 1.00 17.35 ? 97 SER A OG 1
1145
+ ATOM 760 N N . ASP A 1 98 ? 19.197 8.950 0.178 1.00 12.56 ? 98 ASP A N 1
1146
+ ATOM 761 C CA . ASP A 1 98 ? 19.277 9.539 1.504 1.00 16.69 ? 98 ASP A CA 1
1147
+ ATOM 762 C C . ASP A 1 98 ? 17.849 9.872 1.899 1.00 20.72 ? 98 ASP A C 1
1148
+ ATOM 763 O O . ASP A 1 98 ? 17.045 8.970 2.136 1.00 22.25 ? 98 ASP A O 1
1149
+ ATOM 764 C CB . ASP A 1 98 ? 20.167 10.796 1.491 1.00 19.15 ? 98 ASP A CB 1
1150
+ ATOM 765 C CG . ASP A 1 98 ? 20.704 11.161 2.874 1.00 22.83 ? 98 ASP A CG 1
1151
+ ATOM 766 O OD1 . ASP A 1 98 ? 20.193 10.615 3.875 1.00 26.28 ? 98 ASP A OD1 1
1152
+ ATOM 767 O OD2 . ASP A 1 98 ? 21.634 12.003 2.961 1.00 22.11 ? 98 ASP A OD2 1
1153
+ ATOM 768 N N . GLU A 1 99 ? 17.514 11.154 1.936 1.00 18.04 ? 99 GLU A N 1
1154
+ ATOM 769 C CA . GLU A 1 99 ? 16.156 11.542 2.312 1.00 17.19 ? 99 GLU A CA 1
1155
+ ATOM 770 C C . GLU A 1 99 ? 15.439 12.363 1.242 1.00 13.99 ? 99 GLU A C 1
1156
+ ATOM 771 O O . GLU A 1 99 ? 14.521 13.125 1.548 1.00 13.96 ? 99 GLU A O 1
1157
+ ATOM 772 C CB . GLU A 1 99 ? 16.166 12.294 3.648 1.00 19.97 ? 99 GLU A CB 1
1158
+ ATOM 773 C CG . GLU A 1 99 ? 16.657 11.456 4.830 1.00 22.04 ? 99 GLU A CG 1
1159
+ ATOM 774 C CD . GLU A 1 99 ? 15.802 10.223 5.077 1.00 29.97 ? 99 GLU A CD 1
1160
+ ATOM 775 O OE1 . GLU A 1 99 ? 14.573 10.293 4.862 1.00 35.39 ? 99 GLU A OE1 1
1161
+ ATOM 776 O OE2 . GLU A 1 99 ? 16.358 9.180 5.484 1.00 33.96 ? 99 GLU A OE2 1
1162
+ ATOM 777 N N . GLN A 1 100 ? 15.829 12.194 -0.016 1.00 12.43 ? 100 GLN A N 1
1163
+ ATOM 778 C CA . GLN A 1 100 ? 15.282 13.037 -1.072 1.00 9.82 ? 100 GLN A CA 1
1164
+ ATOM 779 C C . GLN A 1 100 ? 13.785 12.833 -1.253 1.00 9.94 ? 100 GLN A C 1
1165
+ ATOM 780 O O . GLN A 1 100 ? 13.270 11.732 -1.074 1.00 10.53 ? 100 GLN A O 1
1166
+ ATOM 781 C CB . GLN A 1 100 ? 15.983 12.788 -2.406 1.00 10.04 ? 100 GLN A CB 1
1167
+ ATOM 782 C CG . GLN A 1 100 ? 17.498 12.940 -2.383 1.00 9.67 ? 100 GLN A CG 1
1168
+ ATOM 783 C CD . GLN A 1 100 ? 18.200 11.606 -2.272 1.00 10.57 ? 100 GLN A CD 1
1169
+ ATOM 784 O OE1 . GLN A 1 100 ? 17.847 10.770 -1.433 1.00 11.59 ? 100 GLN A OE1 1
1170
+ ATOM 785 N NE2 . GLN A 1 100 ? 19.178 11.382 -3.137 1.00 9.67 ? 100 GLN A NE2 1
1171
+ ATOM 786 N N . PRO A 1 101 ? 13.077 13.899 -1.623 1.00 9.43 ? 101 PRO A N 1
1172
+ ATOM 787 C CA . PRO A 1 101 ? 11.673 13.703 -1.987 1.00 10.27 ? 101 PRO A CA 1
1173
+ ATOM 788 C C . PRO A 1 101 ? 11.555 12.736 -3.156 1.00 9.34 ? 101 PRO A C 1
1174
+ ATOM 789 O O . PRO A 1 101 ? 12.447 12.650 -4.006 1.00 8.66 ? 101 PRO A O 1
1175
+ ATOM 790 C CB . PRO A 1 101 ? 11.197 15.104 -2.392 1.00 11.21 ? 101 PRO A CB 1
1176
+ ATOM 791 C CG . PRO A 1 101 ? 12.420 15.923 -2.557 1.00 13.94 ? 101 PRO A CG 1
1177
+ ATOM 792 C CD . PRO A 1 101 ? 13.507 15.301 -1.731 1.00 10.60 ? 101 PRO A CD 1
1178
+ ATOM 793 N N . ARG A 1 102 ? 10.458 11.994 -3.182 1.00 9.33 ? 102 ARG A N 1
1179
+ ATOM 794 C CA . ARG A 1 102 ? 10.189 11.074 -4.272 1.00 9.12 ? 102 ARG A CA 1
1180
+ ATOM 795 C C . ARG A 1 102 ? 10.057 11.863 -5.569 1.00 8.54 ? 102 ARG A C 1
1181
+ ATOM 796 O O . ARG A 1 102 ? 9.452 12.928 -5.592 1.00 9.25 ? 102 ARG A O 1
1182
+ ATOM 797 C CB . ARG A 1 102 ? 8.922 10.266 -3.990 1.00 10.49 ? 102 ARG A CB 1
1183
+ ATOM 798 C CG . ARG A 1 102 ? 8.695 9.126 -4.961 1.00 12.07 ? 102 ARG A CG 1
1184
+ ATOM 799 C CD . ARG A 1 102 ? 7.626 8.180 -4.433 1.00 16.01 ? 102 ARG A CD 1
1185
+ ATOM 800 N NE . ARG A 1 102 ? 7.517 6.967 -5.241 1.00 20.51 ? 102 ARG A NE 1
1186
+ ATOM 801 C CZ . ARG A 1 102 ? 6.421 6.605 -5.900 1.00 21.10 ? 102 ARG A CZ 1
1187
+ ATOM 802 N NH1 . ARG A 1 102 ? 5.331 7.360 -5.848 1.00 21.37 ? 102 ARG A NH1 1
1188
+ ATOM 803 N NH2 . ARG A 1 102 ? 6.413 5.484 -6.608 1.00 21.25 ? 102 ARG A NH2 1
1189
+ ATOM 804 N N . GLN A 1 103 ? 10.633 11.342 -6.647 1.00 8.59 ? 103 GLN A N 1
1190
+ ATOM 805 C CA . GLN A 1 103 ? 10.645 12.019 -7.939 1.00 8.44 ? 103 GLN A CA 1
1191
+ ATOM 806 C C . GLN A 1 103 ? 10.488 11.011 -9.060 1.00 7.55 ? 103 GLN A C 1
1192
+ ATOM 807 O O . GLN A 1 103 ? 11.038 9.909 -8.993 1.00 8.45 ? 103 GLN A O 1
1193
+ ATOM 808 C CB . GLN A 1 103 ? 11.964 12.774 -8.143 1.00 7.79 ? 103 GLN A CB 1
1194
+ ATOM 809 C CG . GLN A 1 103 ? 12.198 13.895 -7.154 1.00 7.98 ? 103 GLN A CG 1
1195
+ ATOM 810 C CD . GLN A 1 103 ? 13.658 14.255 -7.056 1.00 7.21 ? 103 GLN A CD 1
1196
+ ATOM 811 O OE1 . GLN A 1 103 ? 14.300 14.575 -8.058 1.00 7.82 ? 103 GLN A OE1 1
1197
+ ATOM 812 N NE2 . GLN A 1 103 ? 14.197 14.203 -5.844 1.00 8.59 ? 103 GLN A NE2 1
1198
+ ATOM 813 N N . ILE A 1 104 ? 9.752 11.394 -10.092 1.00 7.97 ? 104 ILE A N 1
1199
+ ATOM 814 C CA . ILE A 1 104 ? 9.822 10.704 -11.365 1.00 7.90 ? 104 ILE A CA 1
1200
+ ATOM 815 C C . ILE A 1 104 ? 11.044 11.231 -12.107 1.00 8.41 ? 104 ILE A C 1
1201
+ ATOM 816 O O . ILE A 1 104 ? 11.092 12.397 -12.513 1.00 8.78 ? 104 ILE A O 1
1202
+ ATOM 817 C CB . ILE A 1 104 ? 8.558 10.934 -12.206 1.00 8.84 ? 104 ILE A CB 1
1203
+ ATOM 818 C CG1 . ILE A 1 104 ? 7.360 10.242 -11.554 1.00 8.92 ? 104 ILE A CG1 1
1204
+ ATOM 819 C CG2 . ILE A 1 104 ? 8.773 10.446 -13.632 1.00 9.39 ? 104 ILE A CG2 1
1205
+ ATOM 820 C CD1 . ILE A 1 104 ? 6.020 10.584 -12.180 1.00 11.52 ? 104 ILE A CD1 1
1206
+ ATOM 821 N N . LEU A 1 105 ? 12.049 10.379 -12.262 1.00 8.23 ? 105 LEU A N 1
1207
+ ATOM 822 C CA . LEU A 1 105 ? 13.255 10.767 -12.984 1.00 8.09 ? 105 LEU A CA 1
1208
+ ATOM 823 C C . LEU A 1 105 ? 13.008 10.758 -14.490 1.00 8.85 ? 105 LEU A C 1
1209
+ ATOM 824 O O . LEU A 1 105 ? 13.394 11.695 -15.186 1.00 9.43 ? 105 LEU A O 1
1210
+ ATOM 825 C CB . LEU A 1 105 ? 14.434 9.872 -12.608 1.00 9.31 ? 105 LEU A CB 1
1211
+ ATOM 826 C CG . LEU A 1 105 ? 14.809 9.925 -11.130 1.00 8.60 ? 105 LEU A CG 1
1212
+ ATOM 827 C CD1 . LEU A 1 105 ? 15.973 8.994 -10.844 1.00 9.99 ? 105 LEU A CD1 1
1213
+ ATOM 828 C CD2 . LEU A 1 105 ? 15.134 11.352 -10.682 1.00 10.44 ? 105 LEU A CD2 1
1214
+ ATOM 829 N N . LEU A 1 106 ? 12.349 9.714 -14.991 1.00 9.01 ? 106 LEU A N 1
1215
+ ATOM 830 C CA . LEU A 1 106 ? 11.981 9.635 -16.410 1.00 10.25 ? 106 LEU A CA 1
1216
+ ATOM 831 C C . LEU A 1 106 ? 10.504 9.340 -16.521 1.00 10.20 ? 106 LEU A C 1
1217
+ ATOM 832 O O . LEU A 1 106 ? 10.041 8.304 -16.052 1.00 9.73 ? 106 LEU A O 1
1218
+ ATOM 833 C CB . LEU A 1 106 ? 12.756 8.539 -17.139 1.00 10.01 ? 106 LEU A CB 1
1219
+ ATOM 834 C CG . LEU A 1 106 ? 14.268 8.705 -17.231 1.00 10.28 ? 106 LEU A CG 1
1220
+ ATOM 835 C CD1 . LEU A 1 106 ? 14.872 7.455 -17.840 1.00 11.72 ? 106 LEU A CD1 1
1221
+ ATOM 836 C CD2 . LEU A 1 106 ? 14.634 9.933 -18.052 1.00 10.32 ? 106 LEU A CD2 1
1222
+ ATOM 837 N N . PRO A 1 107 ? 9.744 10.258 -17.125 1.00 10.31 ? 107 PRO A N 1
1223
+ ATOM 838 C CA . PRO A 1 107 ? 8.301 10.048 -17.184 1.00 10.82 ? 107 PRO A CA 1
1224
+ ATOM 839 C C . PRO A 1 107 ? 7.904 9.162 -18.358 1.00 10.82 ? 107 PRO A C 1
1225
+ ATOM 840 O O . PRO A 1 107 ? 8.688 8.900 -19.278 1.00 10.52 ? 107 PRO A O 1
1226
+ ATOM 841 C CB . PRO A 1 107 ? 7.764 11.465 -17.391 1.00 13.46 ? 107 PRO A CB 1
1227
+ ATOM 842 C CG . PRO A 1 107 ? 8.790 12.097 -18.224 1.00 13.37 ? 107 PRO A CG 1
1228
+ ATOM 843 C CD . PRO A 1 107 ? 10.124 11.547 -17.725 1.00 11.99 ? 107 PRO A CD 1
1229
+ ATOM 844 N N . VAL A 1 108 ? 6.656 8.725 -18.305 1.00 11.82 ? 108 VAL A N 1
1230
+ ATOM 845 C CA . VAL A 1 108 ? 6.040 7.990 -19.397 1.00 11.61 ? 108 VAL A CA 1
1231
+ ATOM 846 C C . VAL A 1 108 ? 6.184 8.789 -20.685 1.00 11.03 ? 108 VAL A C 1
1232
+ ATOM 847 O O . VAL A 1 108 ? 5.959 10.004 -20.704 1.00 12.43 ? 108 VAL A O 1
1233
+ ATOM 848 C CB . VAL A 1 108 ? 4.547 7.744 -19.102 1.00 13.35 ? 108 VAL A CB 1
1234
+ ATOM 849 C CG1 . VAL A 1 108 ? 3.828 7.181 -20.327 1.00 15.09 ? 108 VAL A CG1 1
1235
+ ATOM 850 C CG2 . VAL A 1 108 ? 4.394 6.824 -17.904 1.00 14.04 ? 108 VAL A CG2 1
1236
+ ATOM 851 N N . GLY A 1 109 ? 6.582 8.125 -21.763 1.00 10.62 ? 109 GLY A N 1
1237
+ ATOM 852 C CA . GLY A 1 109 ? 6.715 8.793 -23.043 1.00 11.66 ? 109 GLY A CA 1
1238
+ ATOM 853 C C . GLY A 1 109 ? 8.135 9.208 -23.382 1.00 11.07 ? 109 GLY A C 1
1239
+ ATOM 854 O O . GLY A 1 109 ? 8.368 9.828 -24.414 1.00 12.93 ? 109 GLY A O 1
1240
+ ATOM 855 N N . THR A 1 110 ? 9.090 8.871 -22.517 1.00 10.83 ? 110 THR A N 1
1241
+ ATOM 856 C CA . THR A 1 110 ? 10.501 9.118 -22.807 1.00 11.55 ? 110 THR A CA 1
1242
+ ATOM 857 C C . THR A 1 110 ? 10.918 8.274 -24.014 1.00 11.04 ? 110 THR A C 1
1243
+ ATOM 858 O O . THR A 1 110 ? 10.641 7.071 -24.061 1.00 11.86 ? 110 THR A O 1
1244
+ ATOM 859 C CB . THR A 1 110 ? 11.390 8.782 -21.584 1.00 11.45 ? 110 THR A CB 1
1245
+ ATOM 860 O OG1 . THR A 1 110 ? 11.043 9.653 -20.497 1.00 10.99 ? 110 THR A OG1 1
1246
+ ATOM 861 C CG2 . THR A 1 110 ? 12.869 8.953 -21.901 1.00 11.14 ? 110 THR A CG2 1
1247
+ ATOM 862 N N . VAL A 1 111 ? 11.559 8.903 -24.993 1.00 10.17 ? 111 VAL A N 1
1248
+ ATOM 863 C CA . VAL A 1 111 ? 11.970 8.226 -26.215 1.00 11.59 ? 111 VAL A CA 1
1249
+ ATOM 864 C C . VAL A 1 111 ? 13.400 7.724 -26.081 1.00 11.82 ? 111 VAL A C 1
1250
+ ATOM 865 O O . VAL A 1 111 ? 14.300 8.472 -25.684 1.00 11.51 ? 111 VAL A O 1
1251
+ ATOM 866 C CB . VAL A 1 111 ? 11.843 9.154 -27.439 1.00 14.35 ? 111 VAL A CB 1
1252
+ ATOM 867 C CG1 . VAL A 1 111 ? 12.324 8.455 -28.702 1.00 15.87 ? 111 VAL A CG1 1
1253
+ ATOM 868 C CG2 . VAL A 1 111 ? 10.399 9.626 -27.603 1.00 16.31 ? 111 VAL A CG2 1
1254
+ ATOM 869 N N . CYS A 1 112 ? 13.593 6.453 -26.418 1.00 10.97 ? 112 CYS A N 1
1255
+ ATOM 870 C CA . CYS A 1 112 ? 14.867 5.767 -26.286 1.00 10.96 ? 112 CYS A CA 1
1256
+ ATOM 871 C C . CYS A 1 112 ? 15.318 5.346 -27.672 1.00 11.41 ? 112 CYS A C 1
1257
+ ATOM 872 O O . CYS A 1 112 ? 14.562 4.700 -28.405 1.00 13.78 ? 112 CYS A O 1
1258
+ ATOM 873 C CB . CYS A 1 112 ? 14.703 4.528 -25.403 1.00 10.70 ? 112 CYS A CB 1
1259
+ ATOM 874 S SG . CYS A 1 112 ? 14.007 4.882 -23.778 1.00 12.97 ? 112 CYS A SG 1
1260
+ ATOM 875 N N . THR A 1 113 ? 16.541 5.702 -28.039 1.00 10.93 ? 113 THR A N 1
1261
+ ATOM 876 C CA . THR A 1 113 ? 17.036 5.420 -29.378 1.00 12.31 ? 113 THR A CA 1
1262
+ ATOM 877 C C . THR A 1 113 ? 18.307 4.603 -29.289 1.00 11.61 ? 113 THR A C 1
1263
+ ATOM 878 O O . THR A 1 113 ? 19.261 5.020 -28.635 1.00 11.15 ? 113 THR A O 1
1264
+ ATOM 879 C CB . THR A 1 113 ? 17.341 6.724 -30.125 1.00 13.27 ? 113 THR A CB 1
1265
+ ATOM 880 O OG1 . THR A 1 113 ? 16.185 7.567 -30.097 1.00 15.21 ? 113 THR A OG1 1
1266
+ ATOM 881 C CG2 . THR A 1 113 ? 17.721 6.445 -31.572 1.00 16.52 ? 113 THR A CG2 1
1267
+ ATOM 882 N N . ARG A 1 114 ? 18.340 3.435 -29.928 1.00 11.84 ? 114 ARG A N 1
1268
+ ATOM 883 C CA . ARG A 1 114 ? 19.544 2.614 -29.864 1.00 13.75 ? 114 ARG A CA 1
1269
+ ATOM 884 C C . ARG A 1 114 ? 20.666 3.278 -30.652 1.00 14.09 ? 114 ARG A C 1
1270
+ ATOM 885 O O . ARG A 1 114 ? 20.465 3.721 -31.788 1.00 15.90 ? 114 ARG A O 1
1271
+ ATOM 886 C CB . ARG A 1 114 ? 19.307 1.177 -30.352 1.00 15.70 ? 114 ARG A CB 1
1272
+ ATOM 887 C CG . ARG A 1 114 ? 20.528 0.287 -30.133 1.00 17.83 ? 114 ARG A CG 1
1273
+ ATOM 888 C CD . ARG A 1 114 ? 20.238 -1.202 -30.214 1.00 19.99 ? 114 ARG A CD 1
1274
+ ATOM 889 N NE . ARG A 1 114 ? 21.460 -1.968 -29.982 1.00 22.11 ? 114 ARG A NE 1
1275
+ ATOM 890 C CZ . ARG A 1 114 ? 21.584 -3.277 -30.192 1.00 22.25 ? 114 ARG A CZ 1
1276
+ ATOM 891 N NH1 . ARG A 1 114 ? 20.562 -3.982 -30.652 1.00 23.80 ? 114 ARG A NH1 1
1277
+ ATOM 892 N NH2 . ARG A 1 114 ? 22.740 -3.877 -29.951 1.00 24.49 ? 114 ARG A NH2 1
1278
+ ATOM 893 N N . VAL A 1 115 ? 21.839 3.370 -30.034 1.00 12.80 ? 115 VAL A N 1
1279
+ ATOM 894 C CA . VAL A 1 115 ? 22.961 4.077 -30.648 1.00 15.61 ? 115 VAL A CA 1
1280
+ ATOM 895 C C . VAL A 1 115 ? 24.221 3.246 -30.891 1.00 18.05 ? 115 VAL A C 1
1281
+ ATOM 896 O O . VAL A 1 115 ? 25.133 3.710 -31.570 1.00 19.35 ? 115 VAL A O 1
1282
+ ATOM 897 C CB . VAL A 1 115 ? 23.348 5.350 -29.856 1.00 15.86 ? 115 VAL A CB 1
1283
+ ATOM 898 C CG1 . VAL A 1 115 ? 22.247 6.383 -29.960 1.00 17.15 ? 115 VAL A CG1 1
1284
+ ATOM 899 C CG2 . VAL A 1 115 ? 23.641 5.015 -28.401 1.00 16.39 ? 115 VAL A CG2 1
1285
+ ATOM 900 N N . ASP A 1 116 ? 24.291 2.036 -30.345 1.00 16.95 ? 116 ASP A N 1
1286
+ ATOM 901 C CA . ASP A 1 116 ? 25.427 1.168 -30.649 1.00 18.72 ? 116 ASP A CA 1
1287
+ ATOM 902 C C . ASP A 1 116 ? 25.167 0.362 -31.920 1.00 25.67 ? 116 ASP A C 1
1288
+ ATOM 903 O O . ASP A 1 116 ? 24.043 0.326 -32.422 1.00 27.40 ? 116 ASP A O 1
1289
+ ATOM 904 C CB . ASP A 1 116 ? 25.741 0.226 -29.483 1.00 20.95 ? 116 ASP A CB 1
1290
+ ATOM 905 C CG . ASP A 1 116 ? 24.667 -0.823 -29.272 1.00 20.62 ? 116 ASP A CG 1
1291
+ ATOM 906 O OD1 . ASP A 1 116 ? 23.498 -0.447 -29.043 1.00 16.78 ? 116 ASP A OD1 1
1292
+ ATOM 907 O OD2 . ASP A 1 116 ? 24.991 -2.031 -29.342 1.00 24.80 ? 116 ASP A OD2 1
1293
+ ATOM 908 N N . SER A 1 117 ? 26.207 -0.279 -32.443 1.00 31.79 ? 117 SER A N 1
1294
+ ATOM 909 C CA . SER A 1 117 ? 26.047 -1.140 -33.609 1.00 43.91 ? 117 SER A CA 1
1295
+ ATOM 910 C C . SER A 1 117 ? 25.565 -2.530 -33.210 1.00 47.02 ? 117 SER A C 1
1296
+ ATOM 911 O O . SER A 1 117 ? 24.419 -2.897 -33.470 1.00 53.77 ? 117 SER A O 1
1297
+ ATOM 912 C CB . SER A 1 117 ? 27.356 -1.240 -34.389 1.00 51.90 ? 117 SER A CB 1
1298
+ ATOM 913 O OG . SER A 1 117 ? 27.585 -0.063 -35.140 1.00 61.02 ? 117 SER A OG 1
1299
+ #
1300
+ loop_
1301
+ _pdbx_audit_revision_history.ordinal
1302
+ _pdbx_audit_revision_history.data_content_type
1303
+ _pdbx_audit_revision_history.major_revision
1304
+ _pdbx_audit_revision_history.minor_revision
1305
+ _pdbx_audit_revision_history.revision_date
1306
+ 1 'Structure model' 1 0 2015-10-07
1307
+ 2 'Structure model' 1 1 2015-11-04
1308
+ #
mmcifs/4RG1_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/4RGB_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/4RGD_A.cif ADDED
@@ -0,0 +1,808 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_4RGD_A
2
+ #
3
+ _pdbx_database_status.entry_id 4RGD_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 MAKEFGIPAAVAKTVLNVVEAGGWVTTIVSILTAVGSGGKSLLAAAGRESIKAYLKKEIKKKGKRAVIAW
21
+ _entity_poly.pdbx_seq_one_letter_code_can MAKEFGIPAAVAKTVLNVVEAGGWVTTIVSILTAVGSGGKSLLAAAGRESIKAYLKKEIKKKGKRAVIAW
22
+ _entity_poly.pdbx_strand_id A
23
+ _entity_poly.pdbx_target_identifier ?
24
+ #
25
+ loop_
26
+ _entity_poly_seq.entity_id
27
+ _entity_poly_seq.num
28
+ _entity_poly_seq.mon_id
29
+ _entity_poly_seq.hetero
30
+ 1 1 MET n
31
+ 1 2 ALA n
32
+ 1 3 LYS n
33
+ 1 4 GLU n
34
+ 1 5 PHE n
35
+ 1 6 GLY n
36
+ 1 7 ILE n
37
+ 1 8 PRO n
38
+ 1 9 ALA n
39
+ 1 10 ALA n
40
+ 1 11 VAL n
41
+ 1 12 ALA n
42
+ 1 13 LYS n
43
+ 1 14 THR n
44
+ 1 15 VAL n
45
+ 1 16 LEU n
46
+ 1 17 ASN n
47
+ 1 18 VAL n
48
+ 1 19 VAL n
49
+ 1 20 GLU n
50
+ 1 21 ALA n
51
+ 1 22 GLY n
52
+ 1 23 GLY n
53
+ 1 24 TRP n
54
+ 1 25 VAL n
55
+ 1 26 THR n
56
+ 1 27 THR n
57
+ 1 28 ILE n
58
+ 1 29 VAL n
59
+ 1 30 SER n
60
+ 1 31 ILE n
61
+ 1 32 LEU n
62
+ 1 33 THR n
63
+ 1 34 ALA n
64
+ 1 35 VAL n
65
+ 1 36 GLY n
66
+ 1 37 SER n
67
+ 1 38 GLY n
68
+ 1 39 GLY n
69
+ 1 40 LYS n
70
+ 1 41 SER n
71
+ 1 42 LEU n
72
+ 1 43 LEU n
73
+ 1 44 ALA n
74
+ 1 45 ALA n
75
+ 1 46 ALA n
76
+ 1 47 GLY n
77
+ 1 48 ARG n
78
+ 1 49 GLU n
79
+ 1 50 SER n
80
+ 1 51 ILE n
81
+ 1 52 LYS n
82
+ 1 53 ALA n
83
+ 1 54 TYR n
84
+ 1 55 LEU n
85
+ 1 56 LYS n
86
+ 1 57 LYS n
87
+ 1 58 GLU n
88
+ 1 59 ILE n
89
+ 1 60 LYS n
90
+ 1 61 LYS n
91
+ 1 62 LYS n
92
+ 1 63 GLY n
93
+ 1 64 LYS n
94
+ 1 65 ARG n
95
+ 1 66 ALA n
96
+ 1 67 VAL n
97
+ 1 68 ILE n
98
+ 1 69 ALA n
99
+ 1 70 TRP n
100
+ #
101
+ _entity.id 1
102
+ _entity.type polymer
103
+ _entity.src_method man
104
+ _entity.pdbx_description ?
105
+ _entity.formula_weight 7265.688
106
+ _entity.pdbx_number_of_molecules 1
107
+ _entity.pdbx_ec ?
108
+ _entity.pdbx_mutation ?
109
+ _entity.pdbx_fragment ?
110
+ _entity.details ?
111
+ #
112
+ loop_
113
+ _pdbx_poly_seq_scheme.asym_id
114
+ _pdbx_poly_seq_scheme.entity_id
115
+ _pdbx_poly_seq_scheme.seq_id
116
+ _pdbx_poly_seq_scheme.mon_id
117
+ _pdbx_poly_seq_scheme.ndb_seq_num
118
+ _pdbx_poly_seq_scheme.pdb_seq_num
119
+ _pdbx_poly_seq_scheme.auth_seq_num
120
+ _pdbx_poly_seq_scheme.pdb_mon_id
121
+ _pdbx_poly_seq_scheme.auth_mon_id
122
+ _pdbx_poly_seq_scheme.pdb_strand_id
123
+ _pdbx_poly_seq_scheme.pdb_ins_code
124
+ _pdbx_poly_seq_scheme.hetero
125
+ A 1 1 MET 1 1 1 MET MET A . n
126
+ A 1 2 ALA 2 2 2 ALA ALA A . n
127
+ A 1 3 LYS 3 3 3 LYS LYS A . n
128
+ A 1 4 GLU 4 4 4 GLU GLU A . n
129
+ A 1 5 PHE 5 5 5 PHE PHE A . n
130
+ A 1 6 GLY 6 6 6 GLY GLY A . n
131
+ A 1 7 ILE 7 7 7 ILE ILE A . n
132
+ A 1 8 PRO 8 8 8 PRO PRO A . n
133
+ A 1 9 ALA 9 9 9 ALA ALA A . n
134
+ A 1 10 ALA 10 10 10 ALA ALA A . n
135
+ A 1 11 VAL 11 11 11 VAL VAL A . n
136
+ A 1 12 ALA 12 12 12 ALA ALA A . n
137
+ A 1 13 LYS 13 13 13 LYS LYS A . n
138
+ A 1 14 THR 14 14 14 THR THR A . n
139
+ A 1 15 VAL 15 15 15 VAL VAL A . n
140
+ A 1 16 LEU 16 16 16 LEU LEU A . n
141
+ A 1 17 ASN 17 17 17 ASN ASN A . n
142
+ A 1 18 VAL 18 18 18 VAL VAL A . n
143
+ A 1 19 VAL 19 19 19 VAL VAL A . n
144
+ A 1 20 GLU 20 20 20 GLU GLU A . n
145
+ A 1 21 ALA 21 21 21 ALA ALA A . n
146
+ A 1 22 GLY 22 22 22 GLY GLY A . n
147
+ A 1 23 GLY 23 23 23 GLY GLY A . n
148
+ A 1 24 TRP 24 24 24 TRP TRP A . n
149
+ A 1 25 VAL 25 25 25 VAL VAL A . n
150
+ A 1 26 THR 26 26 26 THR THR A . n
151
+ A 1 27 THR 27 27 27 THR THR A . n
152
+ A 1 28 ILE 28 28 28 ILE ILE A . n
153
+ A 1 29 VAL 29 29 29 VAL VAL A . n
154
+ A 1 30 SER 30 30 30 SER SER A . n
155
+ A 1 31 ILE 31 31 31 ILE ILE A . n
156
+ A 1 32 LEU 32 32 32 LEU LEU A . n
157
+ A 1 33 THR 33 33 33 THR THR A . n
158
+ A 1 34 ALA 34 34 34 ALA ALA A . n
159
+ A 1 35 VAL 35 35 35 VAL VAL A . n
160
+ A 1 36 GLY 36 36 36 GLY GLY A . n
161
+ A 1 37 SER 37 37 37 SER SER A . n
162
+ A 1 38 GLY 38 38 38 GLY GLY A . n
163
+ A 1 39 GLY 39 39 39 GLY GLY A . n
164
+ A 1 40 LYS 40 40 40 LYS LYS A . n
165
+ A 1 41 SER 41 41 41 SER SER A . n
166
+ A 1 42 LEU 42 42 42 LEU LEU A . n
167
+ A 1 43 LEU 43 43 43 LEU LEU A . n
168
+ A 1 44 ALA 44 44 44 ALA ALA A . n
169
+ A 1 45 ALA 45 45 45 ALA ALA A . n
170
+ A 1 46 ALA 46 46 46 ALA ALA A . n
171
+ A 1 47 GLY 47 47 47 GLY GLY A . n
172
+ A 1 48 ARG 48 48 48 ARG ARG A . n
173
+ A 1 49 GLU 49 49 49 GLU GLU A . n
174
+ A 1 50 SER 50 50 50 SER SER A . n
175
+ A 1 51 ILE 51 51 51 ILE ILE A . n
176
+ A 1 52 LYS 52 52 52 LYS LYS A . n
177
+ A 1 53 ALA 53 53 53 ALA ALA A . n
178
+ A 1 54 TYR 54 54 54 TYR TYR A . n
179
+ A 1 55 LEU 55 55 55 LEU LEU A . n
180
+ A 1 56 LYS 56 56 56 LYS LYS A . n
181
+ A 1 57 LYS 57 57 57 LYS LYS A . n
182
+ A 1 58 GLU 58 58 58 GLU GLU A . n
183
+ A 1 59 ILE 59 59 59 ILE ILE A . n
184
+ A 1 60 LYS 60 60 60 LYS LYS A . n
185
+ A 1 61 LYS 61 61 61 LYS LYS A . n
186
+ A 1 62 LYS 62 62 62 LYS LYS A . n
187
+ A 1 63 GLY 63 63 63 GLY GLY A . n
188
+ A 1 64 LYS 64 64 64 LYS LYS A . n
189
+ A 1 65 ARG 65 65 65 ARG ARG A . n
190
+ A 1 66 ALA 66 66 66 ALA ALA A . n
191
+ A 1 67 VAL 67 67 67 VAL VAL A . n
192
+ A 1 68 ILE 68 68 68 ILE ILE A . n
193
+ A 1 69 ALA 69 69 69 ALA ALA A . n
194
+ A 1 70 TRP 70 70 70 TRP TRP A . n
195
+ #
196
+ loop_
197
+ _chem_comp.id
198
+ _chem_comp.type
199
+ _chem_comp.mon_nstd_flag
200
+ _chem_comp.name
201
+ _chem_comp.pdbx_synonyms
202
+ _chem_comp.formula
203
+ _chem_comp.formula_weight
204
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
205
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
206
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
207
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
208
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
209
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
210
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
211
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
212
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
213
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
214
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
215
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
216
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
217
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
218
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
219
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
220
+ #
221
+ _struct_asym.id A
222
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
223
+ _struct_asym.pdbx_modified N
224
+ _struct_asym.entity_id 1
225
+ _struct_asym.details ?
226
+ #
227
+ _atom_sites.entry_id 4RGD_A
228
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
229
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
230
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
231
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
232
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
233
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
234
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
235
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
236
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
237
+ _atom_sites.fract_transf_vector[1] 0.00000
238
+ _atom_sites.fract_transf_vector[2] 0.00000
239
+ _atom_sites.fract_transf_vector[3] 0.00000
240
+ #
241
+ _pdbx_validate_close_contact.id 1
242
+ _pdbx_validate_close_contact.PDB_model_num 1
243
+ _pdbx_validate_close_contact.auth_atom_id_1 N
244
+ _pdbx_validate_close_contact.auth_asym_id_1 A
245
+ _pdbx_validate_close_contact.auth_comp_id_1 MET
246
+ _pdbx_validate_close_contact.auth_seq_id_1 1
247
+ _pdbx_validate_close_contact.PDB_ins_code_1 ?
248
+ _pdbx_validate_close_contact.label_alt_id_1 ?
249
+ _pdbx_validate_close_contact.auth_atom_id_2 C
250
+ _pdbx_validate_close_contact.auth_asym_id_2 A
251
+ _pdbx_validate_close_contact.auth_comp_id_2 TRP
252
+ _pdbx_validate_close_contact.auth_seq_id_2 70
253
+ _pdbx_validate_close_contact.PDB_ins_code_2 ?
254
+ _pdbx_validate_close_contact.label_alt_id_2 ?
255
+ _pdbx_validate_close_contact.dist 1.35
256
+ #
257
+ loop_
258
+ _atom_type.symbol
259
+ C
260
+ N
261
+ O
262
+ S
263
+ #
264
+ _entry.id 4RGD_A
265
+ #
266
+ loop_
267
+ _atom_site.group_PDB
268
+ _atom_site.id
269
+ _atom_site.type_symbol
270
+ _atom_site.label_atom_id
271
+ _atom_site.label_alt_id
272
+ _atom_site.label_comp_id
273
+ _atom_site.label_asym_id
274
+ _atom_site.label_entity_id
275
+ _atom_site.label_seq_id
276
+ _atom_site.pdbx_PDB_ins_code
277
+ _atom_site.Cartn_x
278
+ _atom_site.Cartn_y
279
+ _atom_site.Cartn_z
280
+ _atom_site.occupancy
281
+ _atom_site.B_iso_or_equiv
282
+ _atom_site.pdbx_formal_charge
283
+ _atom_site.auth_seq_id
284
+ _atom_site.auth_comp_id
285
+ _atom_site.auth_asym_id
286
+ _atom_site.auth_atom_id
287
+ _atom_site.pdbx_PDB_model_num
288
+ ATOM 1 N N . MET A 1 1 ? 57.631 0.536 92.694 1.00 4.60 ? 1 MET A N 1
289
+ ATOM 2 C CA . MET A 1 1 ? 57.379 0.921 91.287 1.00 5.13 ? 1 MET A CA 1
290
+ ATOM 3 C C . MET A 1 1 ? 58.276 0.087 90.387 1.00 4.33 ? 1 MET A C 1
291
+ ATOM 4 O O . MET A 1 1 ? 57.839 -0.379 89.316 1.00 4.82 ? 1 MET A O 1
292
+ ATOM 5 C CB . MET A 1 1 ? 57.600 2.418 91.111 1.00 4.26 ? 1 MET A CB 1
293
+ ATOM 6 C CG . MET A 1 1 ? 56.511 3.267 91.768 1.00 4.72 ? 1 MET A CG 1
294
+ ATOM 7 S SD . MET A 1 1 ? 56.854 4.994 91.866 1.00 5.91 ? 1 MET A SD 1
295
+ ATOM 8 C CE . MET A 1 1 ? 56.606 5.500 90.139 1.00 6.69 ? 1 MET A CE 1
296
+ ATOM 9 N N . ALA A 1 2 ? 59.562 -0.046 90.769 1.00 5.37 ? 2 ALA A N 1
297
+ ATOM 10 C CA . ALA A 1 2 ? 60.505 -0.802 89.944 1.00 5.70 ? 2 ALA A CA 1
298
+ ATOM 11 C C . ALA A 1 2 ? 60.182 -2.272 89.894 1.00 6.82 ? 2 ALA A C 1
299
+ ATOM 12 O O . ALA A 1 2 ? 60.093 -2.894 88.805 1.00 7.76 ? 2 ALA A O 1
300
+ ATOM 13 C CB . ALA A 1 2 ? 61.924 -0.566 90.384 1.00 7.11 ? 2 ALA A CB 1
301
+ ATOM 14 N N . LYS A 1 3 ? 59.935 -2.893 91.039 1.00 5.61 ? 3 LYS A N 1
302
+ ATOM 15 C CA . LYS A 1 3 ? 59.798 -4.314 91.085 1.00 6.47 ? 3 LYS A CA 1
303
+ ATOM 16 C C . LYS A 1 3 ? 58.414 -4.780 90.621 1.00 7.39 ? 3 LYS A C 1
304
+ ATOM 17 O O . LYS A 1 3 ? 58.321 -5.754 89.875 1.00 9.97 ? 3 LYS A O 1
305
+ ATOM 18 C CB . LYS A 1 3 ? 60.020 -4.797 92.506 1.00 9.82 ? 3 LYS A CB 1
306
+ ATOM 19 C CG . LYS A 1 3 ? 60.202 -6.261 92.632 1.00 16.38 ? 3 LYS A CG 1
307
+ ATOM 20 C CD . LYS A 1 3 ? 60.724 -6.584 94.070 1.00 18.61 ? 3 LYS A CD 1
308
+ ATOM 21 C CE . LYS A 1 3 ? 62.102 -5.984 94.401 1.00 24.34 ? 3 LYS A CE 1
309
+ ATOM 22 N NZ . LYS A 1 3 ? 62.797 -6.841 95.495 1.00 29.86 ? 3 LYS A NZ 1
310
+ ATOM 23 N N . GLU A 1 4 ? 57.351 -4.106 91.016 1.00 6.95 ? 4 GLU A N 1
311
+ ATOM 24 C CA . GLU A 1 4 ? 56.011 -4.496 90.708 1.00 7.36 ? 4 GLU A CA 1
312
+ ATOM 25 C C . GLU A 1 4 ? 55.538 -4.029 89.370 1.00 6.83 ? 4 GLU A C 1
313
+ ATOM 26 O O . GLU A 1 4 ? 54.689 -4.658 88.744 1.00 8.02 ? 4 GLU A O 1
314
+ ATOM 27 C CB . GLU A 1 4 ? 55.017 -4.121 91.819 1.00 8.18 ? 4 GLU A CB 1
315
+ ATOM 28 C CG . GLU A 1 4 ? 53.702 -4.787 91.677 1.00 11.27 ? 4 GLU A CG 1
316
+ ATOM 29 C CD . GLU A 1 4 ? 52.860 -4.690 92.930 1.00 11.84 ? 4 GLU A CD 1
317
+ ATOM 30 O OE1 . GLU A 1 4 ? 53.363 -5.055 94.004 1.00 15.30 ? 4 GLU A OE1 1
318
+ ATOM 31 O OE2 . GLU A 1 4 ? 51.698 -4.232 92.793 1.00 16.20 ? 4 GLU A OE2 1
319
+ ATOM 32 N N . PHE A 1 5 ? 56.033 -2.889 88.871 1.00 5.12 ? 5 PHE A N 1
320
+ ATOM 33 C CA . PHE A 1 5 ? 55.527 -2.287 87.644 1.00 4.55 ? 5 PHE A CA 1
321
+ ATOM 34 C C . PHE A 1 5 ? 56.618 -2.092 86.623 1.00 4.34 ? 5 PHE A C 1
322
+ ATOM 35 O O . PHE A 1 5 ? 56.326 -1.618 85.514 1.00 5.49 ? 5 PHE A O 1
323
+ ATOM 36 C CB . PHE A 1 5 ? 54.804 -0.978 87.934 1.00 4.56 ? 5 PHE A CB 1
324
+ ATOM 37 C CG . PHE A 1 5 ? 53.550 -1.204 88.712 1.00 4.76 ? 5 PHE A CG 1
325
+ ATOM 38 C CD1 . PHE A 1 5 ? 52.375 -1.600 88.121 1.00 5.22 ? 5 PHE A CD1 1
326
+ ATOM 39 C CD2 . PHE A 1 5 ? 53.538 -1.041 90.088 1.00 6.54 ? 5 PHE A CD2 1
327
+ ATOM 40 C CE1 . PHE A 1 5 ? 51.236 -1.868 88.856 1.00 7.13 ? 5 PHE A CE1 1
328
+ ATOM 41 C CE2 . PHE A 1 5 ? 52.391 -1.304 90.824 1.00 6.90 ? 5 PHE A CE2 1
329
+ ATOM 42 C CZ . PHE A 1 5 ? 51.230 -1.713 90.197 1.00 7.96 ? 5 PHE A CZ 1
330
+ ATOM 43 N N . GLY A 1 6 ? 57.868 -2.476 86.870 1.00 4.73 ? 6 GLY A N 1
331
+ ATOM 44 C CA . GLY A 1 6 ? 58.927 -2.273 85.914 1.00 5.21 ? 6 GLY A CA 1
332
+ ATOM 45 C C . GLY A 1 6 ? 59.166 -0.824 85.568 1.00 5.26 ? 6 GLY A C 1
333
+ ATOM 46 O O . GLY A 1 6 ? 59.654 -0.493 84.493 1.00 6.80 ? 6 GLY A O 1
334
+ ATOM 47 N N . ILE A 1 7 ? 58.847 0.112 86.469 1.00 5.05 ? 7 ILE A N 1
335
+ ATOM 48 C CA . ILE A 1 7 ? 59.191 1.477 86.218 1.00 4.78 ? 7 ILE A CA 1
336
+ ATOM 49 C C . ILE A 1 7 ? 60.643 1.673 86.559 1.00 4.76 ? 7 ILE A C 1
337
+ ATOM 50 O O . ILE A 1 7 ? 61.026 1.452 87.736 1.00 5.99 ? 7 ILE A O 1
338
+ ATOM 51 C CB . ILE A 1 7 ? 58.354 2.440 87.120 1.00 5.31 ? 7 ILE A CB 1
339
+ ATOM 52 C CG1 . ILE A 1 7 ? 56.882 2.188 87.152 1.00 7.73 ? 7 ILE A CG1 1
340
+ ATOM 53 C CG2 . ILE A 1 7 ? 58.644 3.916 86.685 1.00 5.10 ? 7 ILE A CG2 1
341
+ ATOM 54 C CD1 . ILE A 1 7 ? 56.303 2.064 85.861 1.00 7.13 ? 7 ILE A CD1 1
342
+ ATOM 55 N N . PRO A 1 8 ? 61.539 2.060 85.630 1.00 4.34 ? 8 PRO A N 1
343
+ ATOM 56 C CA . PRO A 1 8 ? 62.922 2.136 85.999 1.00 4.96 ? 8 PRO A CA 1
344
+ ATOM 57 C C . PRO A 1 8 ? 63.054 3.134 87.129 1.00 4.33 ? 8 PRO A C 1
345
+ ATOM 58 O O . PRO A 1 8 ? 62.423 4.181 87.157 1.00 4.57 ? 8 PRO A O 1
346
+ ATOM 59 C CB . PRO A 1 8 ? 63.556 2.652 84.756 1.00 8.05 ? 8 PRO A CB 1
347
+ ATOM 60 C CG . PRO A 1 8 ? 62.594 2.535 83.669 1.00 9.77 ? 8 PRO A CG 1
348
+ ATOM 61 C CD . PRO A 1 8 ? 61.288 2.353 84.227 1.00 5.40 ? 8 PRO A CD 1
349
+ ATOM 62 N N . ALA A 1 9 ? 63.982 2.879 88.053 1.00 5.20 ? 9 ALA A N 1
350
+ ATOM 63 C CA . ALA A 1 9 ? 64.160 3.709 89.198 1.00 5.76 ? 9 ALA A CA 1
351
+ ATOM 64 C C . ALA A 1 9 ? 64.360 5.176 88.883 1.00 5.97 ? 9 ALA A C 1
352
+ ATOM 65 O O . ALA A 1 9 ? 63.837 6.044 89.583 1.00 6.19 ? 9 ALA A O 1
353
+ ATOM 66 C CB . ALA A 1 9 ? 65.270 3.216 90.103 1.00 7.50 ? 9 ALA A CB 1
354
+ ATOM 67 N N . ALA A 1 10 ? 65.150 5.517 87.847 1.00 5.18 ? 10 ALA A N 1
355
+ ATOM 68 C CA . ALA A 1 10 ? 65.335 6.918 87.496 1.00 5.06 ? 10 ALA A CA 1
356
+ ATOM 69 C C . ALA A 1 10 ? 64.014 7.594 87.131 1.00 5.06 ? 10 ALA A C 1
357
+ ATOM 70 O O . ALA A 1 10 ? 63.802 8.758 87.427 1.00 5.41 ? 10 ALA A O 1
358
+ ATOM 71 C CB . ALA A 1 10 ? 66.364 7.029 86.357 1.00 6.11 ? 10 ALA A CB 1
359
+ ATOM 72 N N . VAL A 1 11 ? 63.191 6.868 86.381 1.00 4.64 ? 11 VAL A N 1
360
+ ATOM 73 C CA . VAL A 1 11 ? 61.877 7.379 86.014 1.00 4.66 ? 11 VAL A CA 1
361
+ ATOM 74 C C . VAL A 1 11 ? 60.961 7.494 87.241 1.00 4.12 ? 11 VAL A C 1
362
+ ATOM 75 O O . VAL A 1 11 ? 60.272 8.482 87.416 1.00 5.18 ? 11 VAL A O 1
363
+ ATOM 76 C CB . VAL A 1 11 ? 61.245 6.583 84.884 1.00 4.92 ? 11 VAL A CB 1
364
+ ATOM 77 C CG1 . VAL A 1 11 ? 59.839 7.070 84.578 1.00 4.97 ? 11 VAL A CG1 1
365
+ ATOM 78 C CG2 . VAL A 1 11 ? 62.139 6.556 83.639 1.00 5.00 ? 11 VAL A CG2 1
366
+ ATOM 79 N N . ALA A 1 12 ? 60.993 6.472 88.086 1.00 4.56 ? 12 ALA A N 1
367
+ ATOM 80 C CA . ALA A 1 12 ? 60.188 6.498 89.307 1.00 4.84 ? 12 ALA A CA 1
368
+ ATOM 81 C C . ALA A 1 12 ? 60.516 7.664 90.165 1.00 5.10 ? 12 ALA A C 1
369
+ ATOM 82 O O . ALA A 1 12 ? 59.626 8.347 90.720 1.00 5.85 ? 12 ALA A O 1
370
+ ATOM 83 C CB . ALA A 1 12 ? 60.320 5.176 90.039 1.00 5.55 ? 12 ALA A CB 1
371
+ ATOM 84 N N . LYS A 1 13 ? 61.828 7.929 90.333 1.00 6.10 ? 13 LYS A N 1
372
+ ATOM 85 C CA . LYS A 1 13 ? 62.260 9.117 91.102 1.00 6.61 ? 13 LYS A CA 1
373
+ ATOM 86 C C . LYS A 1 13 ? 61.698 10.401 90.489 1.00 6.94 ? 13 LYS A C 1
374
+ ATOM 87 O O . LYS A 1 13 ? 61.218 11.292 91.241 1.00 7.12 ? 13 LYS A O 1
375
+ ATOM 88 C CB . LYS A 1 13 ? 63.788 9.159 91.114 1.00 8.71 ? 13 LYS A CB 1
376
+ ATOM 89 C CG . LYS A 1 13 ? 64.544 8.167 91.907 1.00 16.34 ? 13 LYS A CG 1
377
+ ATOM 90 C CD . LYS A 1 13 ? 66.070 7.983 91.645 1.00 24.82 ? 13 LYS A CD 1
378
+ ATOM 91 C CE . LYS A 1 13 ? 66.918 9.262 91.718 1.00 27.89 ? 13 LYS A CE 1
379
+ ATOM 92 N NZ . LYS A 1 13 ? 68.417 9.132 91.283 1.00 22.47 ? 13 LYS A NZ 1
380
+ ATOM 93 N N . THR A 1 14 ? 61.790 10.546 89.171 1.00 5.92 ? 14 THR A N 1
381
+ ATOM 94 C CA . THR A 1 14 ? 61.262 11.707 88.518 1.00 5.85 ? 14 THR A CA 1
382
+ ATOM 95 C C . THR A 1 14 ? 59.774 11.868 88.801 1.00 5.60 ? 14 THR A C 1
383
+ ATOM 96 O O . THR A 1 14 ? 59.275 12.957 89.106 1.00 6.66 ? 14 THR A O 1
384
+ ATOM 97 C CB . THR A 1 14 ? 61.534 11.619 87.018 1.00 6.39 ? 14 THR A CB 1
385
+ ATOM 98 O OG1 . THR A 1 14 ? 62.956 11.619 86.785 1.00 8.46 ? 14 THR A OG1 1
386
+ ATOM 99 C CG2 . THR A 1 14 ? 60.946 12.757 86.270 1.00 8.84 ? 14 THR A CG2 1
387
+ ATOM 100 N N . VAL A 1 15 ? 59.035 10.783 88.689 1.00 4.84 ? 15 VAL A N 1
388
+ ATOM 101 C CA . VAL A 1 15 ? 57.575 10.799 88.952 1.00 3.95 ? 15 VAL A CA 1
389
+ ATOM 102 C C . VAL A 1 15 ? 57.305 11.215 90.383 1.00 5.15 ? 15 VAL A C 1
390
+ ATOM 103 O O . VAL A 1 15 ? 56.435 12.061 90.615 1.00 5.48 ? 15 VAL A O 1
391
+ ATOM 104 C CB . VAL A 1 15 ? 56.978 9.432 88.626 1.00 4.56 ? 15 VAL A CB 1
392
+ ATOM 105 C CG1 . VAL A 1 15 ? 55.527 9.320 89.150 1.00 5.19 ? 15 VAL A CG1 1
393
+ ATOM 106 C CG2 . VAL A 1 15 ? 56.996 9.182 87.133 1.00 6.57 ? 15 VAL A CG2 1
394
+ ATOM 107 N N . LEU A 1 16 ? 57.966 10.630 91.354 1.00 5.07 ? 16 LEU A N 1
395
+ ATOM 108 C CA . LEU A 1 16 ? 57.714 11.001 92.747 1.00 6.22 ? 16 LEU A CA 1
396
+ ATOM 109 C C . LEU A 1 16 ? 58.089 12.447 93.058 1.00 5.77 ? 16 LEU A C 1
397
+ ATOM 110 O O . LEU A 1 16 ? 57.498 13.055 93.903 1.00 7.08 ? 16 LEU A O 1
398
+ ATOM 111 C CB . LEU A 1 16 ? 58.347 10.027 93.711 1.00 6.43 ? 16 LEU A CB 1
399
+ ATOM 112 C CG . LEU A 1 16 ? 57.866 8.596 93.656 1.00 6.53 ? 16 LEU A CG 1
400
+ ATOM 113 C CD1 . LEU A 1 16 ? 58.389 7.805 94.850 1.00 9.03 ? 16 LEU A CD1 1
401
+ ATOM 114 C CD2 . LEU A 1 16 ? 56.360 8.454 93.607 1.00 6.70 ? 16 LEU A CD2 1
402
+ ATOM 115 N N . ASN A 1 17 ? 59.123 12.942 92.351 1.00 6.30 ? 17 ASN A N 1
403
+ ATOM 116 C CA . ASN A 1 17 ? 59.442 14.360 92.516 1.00 7.13 ? 17 ASN A CA 1
404
+ ATOM 117 C C . ASN A 1 17 ? 58.334 15.217 91.966 1.00 7.71 ? 17 ASN A C 1
405
+ ATOM 118 O O . ASN A 1 17 ? 58.037 16.272 92.586 1.00 9.61 ? 17 ASN A O 1
406
+ ATOM 119 C CB . ASN A 1 17 ? 60.794 14.653 91.875 1.00 8.78 ? 17 ASN A CB 1
407
+ ATOM 120 C CG . ASN A 1 17 ? 61.967 14.095 92.720 1.00 11.06 ? 17 ASN A CG 1
408
+ ATOM 121 O OD1 . ASN A 1 17 ? 61.839 13.763 93.896 1.00 14.64 ? 17 ASN A OD1 1
409
+ ATOM 122 N ND2 . ASN A 1 17 ? 63.089 14.072 92.160 1.00 15.53 ? 17 ASN A ND2 1
410
+ ATOM 123 N N . VAL A 1 18 ? 57.689 14.874 90.855 1.00 7.73 ? 18 VAL A N 1
411
+ ATOM 124 C CA . VAL A 1 18 ? 56.537 15.613 90.421 1.00 7.66 ? 18 VAL A CA 1
412
+ ATOM 125 C C . VAL A 1 18 ? 55.416 15.572 91.450 1.00 7.32 ? 18 VAL A C 1
413
+ ATOM 126 O O . VAL A 1 18 ? 54.795 16.583 91.761 1.00 8.73 ? 18 VAL A O 1
414
+ ATOM 127 C CB . VAL A 1 18 ? 56.020 15.115 89.006 1.00 8.34 ? 18 VAL A CB 1
415
+ ATOM 128 C CG1 . VAL A 1 18 ? 54.746 15.763 88.592 1.00 8.99 ? 18 VAL A CG1 1
416
+ ATOM 129 C CG2 . VAL A 1 18 ? 57.096 15.278 87.971 1.00 10.01 ? 18 VAL A CG2 1
417
+ ATOM 130 N N . VAL A 1 19 ? 55.183 14.382 92.009 1.00 7.39 ? 19 VAL A N 1
418
+ ATOM 131 C CA . VAL A 1 19 ? 54.166 14.240 93.029 1.00 7.87 ? 19 VAL A CA 1
419
+ ATOM 132 C C . VAL A 1 19 ? 54.427 15.179 94.231 1.00 8.66 ? 19 VAL A C 1
420
+ ATOM 133 O O . VAL A 1 19 ? 53.559 15.915 94.684 1.00 11.60 ? 19 VAL A O 1
421
+ ATOM 134 C CB . VAL A 1 19 ? 54.117 12.747 93.496 1.00 7.74 ? 19 VAL A CB 1
422
+ ATOM 135 C CG1 . VAL A 1 19 ? 53.253 12.614 94.745 1.00 10.18 ? 19 VAL A CG1 1
423
+ ATOM 136 C CG2 . VAL A 1 19 ? 53.593 11.861 92.373 1.00 8.18 ? 19 VAL A CG2 1
424
+ ATOM 137 N N . GLU A 1 20 ? 55.652 15.125 94.703 1.00 9.97 ? 20 GLU A N 1
425
+ ATOM 138 C CA . GLU A 1 20 ? 56.037 15.918 95.843 1.00 11.50 ? 20 GLU A CA 1
426
+ ATOM 139 C C . GLU A 1 20 ? 55.964 17.432 95.562 1.00 12.93 ? 20 GLU A C 1
427
+ ATOM 140 O O . GLU A 1 20 ? 55.681 18.197 96.504 1.00 15.54 ? 20 GLU A O 1
428
+ ATOM 141 C CB . GLU A 1 20 ? 57.390 15.487 96.381 1.00 13.22 ? 20 GLU A CB 1
429
+ ATOM 142 C CG . GLU A 1 20 ? 57.349 14.083 97.104 1.00 20.36 ? 20 GLU A CG 1
430
+ ATOM 143 C CD . GLU A 1 20 ? 56.566 14.072 98.412 1.00 31.90 ? 20 GLU A CD 1
431
+ ATOM 144 O OE1 . GLU A 1 20 ? 56.684 15.090 99.186 1.00 39.65 ? 20 GLU A OE1 1
432
+ ATOM 145 O OE2 . GLU A 1 20 ? 55.736 13.147 98.672 1.00 52.28 ? 20 GLU A OE2 1
433
+ ATOM 146 N N . ALA A 1 21 ? 56.277 17.847 94.329 1.00 11.92 ? 21 ALA A N 1
434
+ ATOM 147 C CA . ALA A 1 21 ? 56.218 19.210 93.926 1.00 12.65 ? 21 ALA A CA 1
435
+ ATOM 148 C C . ALA A 1 21 ? 54.754 19.670 93.698 1.00 12.53 ? 21 ALA A C 1
436
+ ATOM 149 O O . ALA A 1 21 ? 54.527 20.843 93.541 1.00 19.37 ? 21 ALA A O 1
437
+ ATOM 150 C CB . ALA A 1 21 ? 57.058 19.450 92.711 1.00 14.35 ? 21 ALA A CB 1
438
+ ATOM 151 N N . GLY A 1 22 ? 53.806 18.753 93.726 1.00 10.62 ? 22 GLY A N 1
439
+ ATOM 152 C CA . GLY A 1 22 ? 52.426 19.075 93.435 1.00 9.84 ? 22 GLY A CA 1
440
+ ATOM 153 C C . GLY A 1 22 ? 52.255 19.429 91.948 1.00 10.07 ? 22 GLY A C 1
441
+ ATOM 154 O O . GLY A 1 22 ? 51.317 20.178 91.604 1.00 13.41 ? 22 GLY A O 1
442
+ ATOM 155 N N . GLY A 1 23 ? 53.047 18.801 91.081 1.00 9.72 ? 23 GLY A N 1
443
+ ATOM 156 C CA . GLY A 1 23 ? 52.893 18.910 89.675 1.00 8.93 ? 23 GLY A CA 1
444
+ ATOM 157 C C . GLY A 1 23 ? 51.638 18.178 89.148 1.00 7.19 ? 23 GLY A C 1
445
+ ATOM 158 O O . GLY A 1 23 ? 50.837 17.644 89.904 1.00 8.72 ? 23 GLY A O 1
446
+ ATOM 159 N N . TRP A 1 24 ? 51.467 18.145 87.811 1.00 6.43 ? 24 TRP A N 1
447
+ ATOM 160 C CA . TRP A 1 24 ? 50.180 17.815 87.230 1.00 6.25 ? 24 TRP A CA 1
448
+ ATOM 161 C C . TRP A 1 24 ? 49.981 16.298 87.068 1.00 5.27 ? 24 TRP A C 1
449
+ ATOM 162 O O . TRP A 1 24 ? 50.863 15.588 86.599 1.00 6.12 ? 24 TRP A O 1
450
+ ATOM 163 C CB . TRP A 1 24 ? 50.069 18.459 85.877 1.00 6.15 ? 24 TRP A CB 1
451
+ ATOM 164 C CG . TRP A 1 24 ? 50.016 19.965 85.935 1.00 6.19 ? 24 TRP A CG 1
452
+ ATOM 165 C CD1 . TRP A 1 24 ? 49.779 20.767 87.027 1.00 8.46 ? 24 TRP A CD1 1
453
+ ATOM 166 C CD2 . TRP A 1 24 ? 50.107 20.857 84.821 1.00 5.50 ? 24 TRP A CD2 1
454
+ ATOM 167 N NE1 . TRP A 1 24 ? 49.759 22.082 86.647 1.00 8.37 ? 24 TRP A NE1 1
455
+ ATOM 168 C CE2 . TRP A 1 24 ? 49.923 22.160 85.295 1.00 6.11 ? 24 TRP A CE2 1
456
+ ATOM 169 C CE3 . TRP A 1 24 ? 50.356 20.672 83.469 1.00 5.33 ? 24 TRP A CE3 1
457
+ ATOM 170 C CZ2 . TRP A 1 24 ? 49.914 23.280 84.463 1.00 6.37 ? 24 TRP A CZ2 1
458
+ ATOM 171 C CZ3 . TRP A 1 24 ? 50.377 21.755 82.668 1.00 5.32 ? 24 TRP A CZ3 1
459
+ ATOM 172 C CH2 . TRP A 1 24 ? 50.126 23.055 83.138 1.00 5.08 ? 24 TRP A CH2 1
460
+ ATOM 173 N N . VAL A 1 25 ? 48.763 15.879 87.355 1.00 5.81 ? 25 VAL A N 1
461
+ ATOM 174 C CA . VAL A 1 25 ? 48.387 14.510 86.991 0.50 6.94 ? 25 VAL A CA 1
462
+ ATOM 175 C C . VAL A 1 25 ? 48.650 14.172 85.524 1.00 6.06 ? 25 VAL A C 1
463
+ ATOM 176 O O . VAL A 1 25 ? 49.076 13.047 85.222 1.00 7.16 ? 25 VAL A O 1
464
+ ATOM 177 C CB . VAL A 1 25 ? 46.978 13.989 87.402 0.50 9.05 ? 25 VAL A CB 1
465
+ ATOM 178 C CG1 . VAL A 1 25 ? 46.729 14.209 88.896 0.50 6.83 ? 25 VAL A CG1 1
466
+ ATOM 179 C CG2 . VAL A 1 25 ? 45.814 14.415 86.601 0.50 14.34 ? 25 VAL A CG2 1
467
+ ATOM 180 N N . THR A 1 26 ? 48.392 15.106 84.633 1.00 6.12 ? 26 THR A N 1
468
+ ATOM 181 C CA . THR A 1 26 ? 48.619 14.786 83.223 1.00 6.47 ? 26 THR A CA 1
469
+ ATOM 182 C C . THR A 1 26 ? 50.081 14.518 82.919 1.00 5.94 ? 26 THR A C 1
470
+ ATOM 183 O O . THR A 1 26 ? 50.384 13.712 82.036 1.00 6.16 ? 26 THR A O 1
471
+ ATOM 184 C CB . THR A 1 26 ? 48.081 15.888 82.304 1.00 7.12 ? 26 THR A CB 1
472
+ ATOM 185 O OG1 . THR A 1 26 ? 48.682 17.150 82.687 1.00 7.41 ? 26 THR A OG1 1
473
+ ATOM 186 C CG2 . THR A 1 26 ? 46.576 16.011 82.368 1.00 8.57 ? 26 THR A CG2 1
474
+ ATOM 187 N N . THR A 1 27 ? 51.004 15.169 83.667 1.00 5.13 ? 27 THR A N 1
475
+ ATOM 188 C CA . THR A 1 27 ? 52.409 14.943 83.465 1.00 5.41 ? 27 THR A CA 1
476
+ ATOM 189 C C . THR A 1 27 ? 52.809 13.567 84.033 1.00 5.60 ? 27 THR A C 1
477
+ ATOM 190 O O . THR A 1 27 ? 53.604 12.828 83.428 1.00 5.72 ? 27 THR A O 1
478
+ ATOM 191 C CB . THR A 1 27 ? 53.231 16.022 84.181 1.00 6.71 ? 27 THR A CB 1
479
+ ATOM 192 O OG1 . THR A 1 27 ? 52.765 17.312 83.738 1.00 6.63 ? 27 THR A OG1 1
480
+ ATOM 193 C CG2 . THR A 1 27 ? 54.703 15.925 83.905 1.00 7.60 ? 27 THR A CG2 1
481
+ ATOM 194 N N . ILE A 1 28 ? 52.282 13.227 85.193 1.00 5.63 ? 28 ILE A N 1
482
+ ATOM 195 C CA . ILE A 1 28 ? 52.530 11.886 85.753 1.00 4.79 ? 28 ILE A CA 1
483
+ ATOM 196 C C . ILE A 1 28 ? 52.030 10.841 84.769 1.00 4.40 ? 28 ILE A C 1
484
+ ATOM 197 O O . ILE A 1 28 ? 52.700 9.838 84.492 1.00 5.35 ? 28 ILE A O 1
485
+ ATOM 198 C CB . ILE A 1 28 ? 51.894 11.746 87.121 1.00 5.78 ? 28 ILE A CB 1
486
+ ATOM 199 C CG1 . ILE A 1 28 ? 52.559 12.724 88.112 1.00 6.74 ? 28 ILE A CG1 1
487
+ ATOM 200 C CG2 . ILE A 1 28 ? 52.015 10.326 87.583 1.00 6.32 ? 28 ILE A CG2 1
488
+ ATOM 201 C CD1 . ILE A 1 28 ? 51.689 13.018 89.325 1.00 8.56 ? 28 ILE A CD1 1
489
+ ATOM 202 N N . VAL A 1 29 ? 50.822 11.046 84.209 1.00 4.79 ? 29 VAL A N 1
490
+ ATOM 203 C CA . VAL A 1 29 ? 50.299 10.113 83.241 1.00 4.95 ? 29 VAL A CA 1
491
+ ATOM 204 C C . VAL A 1 29 ? 51.228 10.011 82.050 1.00 5.06 ? 29 VAL A C 1
492
+ ATOM 205 O O . VAL A 1 29 ? 51.476 8.881 81.574 1.00 5.17 ? 29 VAL A O 1
493
+ ATOM 206 C CB . VAL A 1 29 ? 48.856 10.513 82.798 1.00 5.16 ? 29 VAL A CB 1
494
+ ATOM 207 C CG1 . VAL A 1 29 ? 48.394 9.714 81.601 1.00 5.73 ? 29 VAL A CG1 1
495
+ ATOM 208 C CG2 . VAL A 1 29 ? 47.895 10.337 83.959 1.00 6.55 ? 29 VAL A CG2 1
496
+ ATOM 209 N N . SER A 1 30 ? 51.631 11.119 81.472 1.00 5.29 ? 30 SER A N 1
497
+ ATOM 210 C CA . SER A 1 30 ? 52.417 10.994 80.232 1.00 5.60 ? 30 SER A CA 1
498
+ ATOM 211 C C . SER A 1 30 ? 53.815 10.335 80.517 1.00 4.17 ? 30 SER A C 1
499
+ ATOM 212 O O . SER A 1 30 ? 54.291 9.584 79.695 1.00 4.88 ? 30 SER A O 1
500
+ ATOM 213 C CB . SER A 1 30 ? 52.604 12.338 79.574 1.00 5.70 ? 30 SER A CB 1
501
+ ATOM 214 O OG . SER A 1 30 ? 53.325 13.245 80.392 1.00 6.08 ? 30 SER A OG 1
502
+ ATOM 215 N N . ILE A 1 31 ? 54.431 10.606 81.680 1.00 4.04 ? 31 ILE A N 1
503
+ ATOM 216 C CA . ILE A 1 31 ? 55.691 9.975 81.954 1.00 4.08 ? 31 ILE A CA 1
504
+ ATOM 217 C C . ILE A 1 31 ? 55.497 8.485 82.123 1.00 5.14 ? 31 ILE A C 1
505
+ ATOM 218 O O . ILE A 1 31 ? 56.236 7.673 81.546 1.00 5.42 ? 31 ILE A O 1
506
+ ATOM 219 C CB . ILE A 1 31 ? 56.343 10.531 83.226 1.00 5.08 ? 31 ILE A CB 1
507
+ ATOM 220 C CG1 . ILE A 1 31 ? 56.708 11.992 83.065 1.00 5.92 ? 31 ILE A CG1 1
508
+ ATOM 221 C CG2 . ILE A 1 31 ? 57.573 9.706 83.594 1.00 6.19 ? 31 ILE A CG2 1
509
+ ATOM 222 C CD1 . ILE A 1 31 ? 56.992 12.718 84.362 1.00 6.67 ? 31 ILE A CD1 1
510
+ ATOM 223 N N . LEU A 1 32 ? 54.497 8.056 82.894 1.00 4.51 ? 32 LEU A N 1
511
+ ATOM 224 C CA . LEU A 1 32 ? 54.254 6.633 83.066 1.00 5.13 ? 32 LEU A CA 1
512
+ ATOM 225 C C . LEU A 1 32 ? 53.875 5.951 81.791 1.00 4.93 ? 32 LEU A C 1
513
+ ATOM 226 O O . LEU A 1 32 ? 54.293 4.815 81.494 1.00 5.45 ? 32 LEU A O 1
514
+ ATOM 227 C CB . LEU A 1 32 ? 53.264 6.416 84.180 1.00 4.65 ? 32 LEU A CB 1
515
+ ATOM 228 C CG . LEU A 1 32 ? 53.725 6.736 85.582 1.00 4.90 ? 32 LEU A CG 1
516
+ ATOM 229 C CD1 . LEU A 1 32 ? 52.582 6.591 86.611 1.00 5.65 ? 32 LEU A CD1 1
517
+ ATOM 230 C CD2 . LEU A 1 32 ? 54.893 5.855 85.988 1.00 5.70 ? 32 LEU A CD2 1
518
+ ATOM 231 N N . THR A 1 33 ? 53.077 6.623 80.966 1.00 5.20 ? 33 THR A N 1
519
+ ATOM 232 C CA . THR A 1 33 ? 52.724 6.036 79.658 1.00 5.77 ? 33 THR A CA 1
520
+ ATOM 233 C C . THR A 1 33 ? 53.919 5.818 78.796 1.00 5.17 ? 33 THR A C 1
521
+ ATOM 234 O O . THR A 1 33 ? 54.012 4.827 78.097 1.00 6.15 ? 33 THR A O 1
522
+ ATOM 235 C CB . THR A 1 33 ? 51.657 6.964 79.005 1.00 6.17 ? 33 THR A CB 1
523
+ ATOM 236 O OG1 . THR A 1 33 ? 50.499 7.027 79.829 1.00 7.12 ? 33 THR A OG1 1
524
+ ATOM 237 C CG2 . THR A 1 33 ? 51.281 6.517 77.667 1.00 9.97 ? 33 THR A CG2 1
525
+ ATOM 238 N N . ALA A 1 34 ? 54.888 6.740 78.868 1.00 4.92 ? 34 ALA A N 1
526
+ ATOM 239 C CA . ALA A 1 34 ? 56.144 6.624 78.091 1.00 5.14 ? 34 ALA A CA 1
527
+ ATOM 240 C C . ALA A 1 34 ? 56.996 5.404 78.515 1.00 4.71 ? 34 ALA A C 1
528
+ ATOM 241 O O . ALA A 1 34 ? 57.812 4.915 77.736 1.00 5.96 ? 34 ALA A O 1
529
+ ATOM 242 C CB . ALA A 1 34 ? 56.942 7.921 78.210 1.00 5.84 ? 34 ALA A CB 1
530
+ ATOM 243 N N . VAL A 1 35 ? 56.871 4.992 79.777 1.00 4.65 ? 35 VAL A N 1
531
+ ATOM 244 C CA . VAL A 1 35 ? 57.544 3.764 80.172 1.00 4.95 ? 35 VAL A CA 1
532
+ ATOM 245 C C . VAL A 1 35 ? 57.112 2.568 79.351 1.00 5.17 ? 35 VAL A C 1
533
+ ATOM 246 O O . VAL A 1 35 ? 57.922 1.712 79.031 1.00 5.72 ? 35 VAL A O 1
534
+ ATOM 247 C CB . VAL A 1 35 ? 57.329 3.498 81.671 1.00 4.95 ? 35 VAL A CB 1
535
+ ATOM 248 C CG1 . VAL A 1 35 ? 57.881 2.151 82.102 1.00 6.17 ? 35 VAL A CG1 1
536
+ ATOM 249 C CG2 . VAL A 1 35 ? 57.951 4.609 82.532 1.00 5.83 ? 35 VAL A CG2 1
537
+ ATOM 250 N N . GLY A 1 36 ? 55.806 2.515 79.060 1.00 5.74 ? 36 GLY A N 1
538
+ ATOM 251 C CA . GLY A 1 36 ? 55.188 1.375 78.366 1.00 6.06 ? 36 GLY A CA 1
539
+ ATOM 252 C C . GLY A 1 36 ? 54.204 0.686 79.270 1.00 4.43 ? 36 GLY A C 1
540
+ ATOM 253 O O . GLY A 1 36 ? 53.569 1.284 80.141 1.00 5.79 ? 36 GLY A O 1
541
+ ATOM 254 N N . SER A 1 37 ? 54.046 -0.605 79.005 1.00 4.85 ? 37 SER A N 1
542
+ ATOM 255 C CA . SER A 1 37 ? 52.964 -1.374 79.648 1.00 4.96 ? 37 SER A CA 1
543
+ ATOM 256 C C . SER A 1 37 ? 53.017 -1.297 81.134 1.00 4.90 ? 37 SER A C 1
544
+ ATOM 257 O O . SER A 1 37 ? 51.964 -1.162 81.779 1.00 5.30 ? 37 SER A O 1
545
+ ATOM 258 C CB . SER A 1 37 ? 53.011 -2.829 79.173 1.00 6.85 ? 37 SER A CB 1
546
+ ATOM 259 O OG . SER A 1 37 ? 54.309 -3.377 79.393 1.00 7.19 ? 37 SER A OG 1
547
+ ATOM 260 N N . GLY A 1 38 ? 54.187 -1.352 81.806 1.00 4.52 ? 38 GLY A N 1
548
+ ATOM 261 C CA . GLY A 1 38 ? 54.210 -1.300 83.240 1.00 4.58 ? 38 GLY A CA 1
549
+ ATOM 262 C C . GLY A 1 38 ? 53.763 0.021 83.805 1.00 4.67 ? 38 GLY A C 1
550
+ ATOM 263 O O . GLY A 1 38 ? 53.105 0.089 84.850 1.00 4.10 ? 38 GLY A O 1
551
+ ATOM 264 N N . GLY A 1 39 ? 54.062 1.125 83.080 1.00 4.19 ? 39 GLY A N 1
552
+ ATOM 265 C CA . GLY A 1 39 ? 53.566 2.425 83.470 1.00 4.16 ? 39 GLY A CA 1
553
+ ATOM 266 C C . GLY A 1 39 ? 52.051 2.505 83.353 1.00 4.23 ? 39 GLY A C 1
554
+ ATOM 267 O O . GLY A 1 39 ? 51.349 3.023 84.223 1.00 4.83 ? 39 GLY A O 1
555
+ ATOM 268 N N . LYS A 1 40 ? 51.517 2.006 82.219 1.00 4.66 ? 40 LYS A N 1
556
+ ATOM 269 C CA . LYS A 1 40 ? 50.088 1.934 82.057 1.00 5.57 ? 40 LYS A CA 1
557
+ ATOM 270 C C . LYS A 1 40 ? 49.442 1.088 83.127 1.00 4.91 ? 40 LYS A C 1
558
+ ATOM 271 O O . LYS A 1 40 ? 48.338 1.419 83.618 1.00 5.07 ? 40 LYS A O 1
559
+ ATOM 272 C CB . LYS A 1 40 ? 49.743 1.399 80.685 1.00 6.91 ? 40 LYS A CB 1
560
+ ATOM 273 C CG . LYS A 1 40 ? 50.282 2.328 79.600 1.00 9.05 ? 40 LYS A CG 1
561
+ ATOM 274 C CD . LYS A 1 40 ? 50.163 1.729 78.214 1.00 14.02 ? 40 LYS A CD 1
562
+ ATOM 275 C CE . LYS A 1 40 ? 48.736 1.536 77.866 1.00 16.10 ? 40 LYS A CE 1
563
+ ATOM 276 N NZ . LYS A 1 40 ? 47.994 2.809 77.532 1.00 17.17 ? 40 LYS A NZ 1
564
+ ATOM 277 N N . SER A 1 41 ? 50.081 -0.002 83.576 1.00 4.61 ? 41 SER A N 1
565
+ ATOM 278 C CA . SER A 1 41 ? 49.539 -0.814 84.625 1.00 5.03 ? 41 SER A CA 1
566
+ ATOM 279 C C . SER A 1 41 ? 49.546 -0.098 85.967 1.00 4.73 ? 41 SER A C 1
567
+ ATOM 280 O O . SER A 1 41 ? 48.602 -0.294 86.746 1.00 5.17 ? 41 SER A O 1
568
+ ATOM 281 C CB . SER A 1 41 ? 50.242 -2.169 84.577 1.00 5.83 ? 41 SER A CB 1
569
+ ATOM 282 O OG . SER A 1 41 ? 49.856 -2.892 83.436 1.00 8.00 ? 41 SER A OG 1
570
+ ATOM 283 N N . LEU A 1 42 ? 50.565 0.715 86.266 1.00 4.51 ? 42 LEU A N 1
571
+ ATOM 284 C CA . LEU A 1 42 ? 50.523 1.473 87.483 1.00 4.52 ? 42 LEU A CA 1
572
+ ATOM 285 C C . LEU A 1 42 ? 49.365 2.490 87.477 1.00 4.27 ? 42 LEU A C 1
573
+ ATOM 286 O O . LEU A 1 42 ? 48.646 2.655 88.435 1.00 4.91 ? 42 LEU A O 1
574
+ ATOM 287 C CB . LEU A 1 42 ? 51.866 2.116 87.720 1.00 5.36 ? 42 LEU A CB 1
575
+ ATOM 288 C CG . LEU A 1 42 ? 51.971 3.065 88.920 1.00 5.49 ? 42 LEU A CG 1
576
+ ATOM 289 C CD1 . LEU A 1 42 ? 51.581 2.370 90.204 1.00 6.92 ? 42 LEU A CD1 1
577
+ ATOM 290 C CD2 . LEU A 1 42 ? 53.359 3.631 89.043 1.00 6.81 ? 42 LEU A CD2 1
578
+ ATOM 291 N N . LEU A 1 43 ? 49.158 3.102 86.315 1.00 4.02 ? 43 LEU A N 1
579
+ ATOM 292 C CA . LEU A 1 43 ? 48.044 4.014 86.159 1.00 4.68 ? 43 LEU A CA 1
580
+ ATOM 293 C C . LEU A 1 43 ? 46.721 3.289 86.391 1.00 4.23 ? 43 LEU A C 1
581
+ ATOM 294 O O . LEU A 1 43 ? 45.790 3.825 87.030 1.00 5.01 ? 43 LEU A O 1
582
+ ATOM 295 C CB . LEU A 1 43 ? 48.045 4.655 84.782 1.00 4.69 ? 43 LEU A CB 1
583
+ ATOM 296 C CG . LEU A 1 43 ? 49.148 5.695 84.575 1.00 5.06 ? 43 LEU A CG 1
584
+ ATOM 297 C CD1 . LEU A 1 43 ? 49.227 6.104 83.120 1.00 5.32 ? 43 LEU A CD1 1
585
+ ATOM 298 C CD2 . LEU A 1 43 ? 48.963 6.907 85.428 1.00 6.88 ? 43 LEU A CD2 1
586
+ ATOM 299 N N . ALA A 1 44 ? 46.599 2.057 85.910 1.00 4.97 ? 44 ALA A N 1
587
+ ATOM 300 C CA . ALA A 1 44 ? 45.386 1.244 86.120 1.00 4.85 ? 44 ALA A CA 1
588
+ ATOM 301 C C . ALA A 1 44 ? 45.251 0.855 87.587 1.00 5.06 ? 44 ALA A C 1
589
+ ATOM 302 O O . ALA A 1 44 ? 44.091 0.806 88.103 1.00 5.97 ? 44 ALA A O 1
590
+ ATOM 303 C CB . ALA A 1 44 ? 45.437 0.025 85.244 1.00 6.08 ? 44 ALA A CB 1
591
+ ATOM 304 N N . ALA A 1 45 ? 46.348 0.633 88.291 1.00 5.68 ? 45 ALA A N 1
592
+ ATOM 305 C CA . ALA A 1 45 ? 46.297 0.224 89.712 1.00 5.88 ? 45 ALA A CA 1
593
+ ATOM 306 C C . ALA A 1 45 ? 45.675 1.329 90.548 1.00 6.63 ? 45 ALA A C 1
594
+ ATOM 307 O O . ALA A 1 45 ? 45.094 1.028 91.609 1.00 7.69 ? 45 ALA A O 1
595
+ ATOM 308 C CB . ALA A 1 45 ? 47.706 -0.082 90.177 1.00 6.64 ? 45 ALA A CB 1
596
+ ATOM 309 N N . ALA A 1 46 ? 45.812 2.594 90.160 1.00 5.56 ? 46 ALA A N 1
597
+ ATOM 310 C CA . ALA A 1 46 ? 45.242 3.692 90.917 1.00 5.27 ? 46 ALA A CA 1
598
+ ATOM 311 C C . ALA A 1 46 ? 43.713 3.718 90.810 1.00 6.37 ? 46 ALA A C 1
599
+ ATOM 312 O O . ALA A 1 46 ? 43.048 4.437 91.618 1.00 7.29 ? 46 ALA A O 1
600
+ ATOM 313 C CB . ALA A 1 46 ? 45.786 5.030 90.480 1.00 5.78 ? 46 ALA A CB 1
601
+ ATOM 314 N N . GLY A 1 47 ? 43.127 3.080 89.801 1.00 6.16 ? 47 GLY A N 1
602
+ ATOM 315 C CA . GLY A 1 47 ? 41.677 3.115 89.660 1.00 6.30 ? 47 GLY A CA 1
603
+ ATOM 316 C C . GLY A 1 47 ? 41.210 4.531 89.378 1.00 5.51 ? 47 GLY A C 1
604
+ ATOM 317 O O . GLY A 1 47 ? 41.785 5.227 88.531 1.00 6.24 ? 47 GLY A O 1
605
+ ATOM 318 N N . ARG A 1 48 ? 40.182 4.981 90.094 1.00 5.62 ? 48 ARG A N 1
606
+ ATOM 319 C CA . ARG A 1 48 ? 39.629 6.305 89.882 1.00 5.55 ? 48 ARG A CA 1
607
+ ATOM 320 C C . ARG A 1 48 ? 40.345 7.347 90.694 1.00 6.08 ? 48 ARG A C 1
608
+ ATOM 321 O O . ARG A 1 48 ? 40.098 8.540 90.577 1.00 6.77 ? 48 ARG A O 1
609
+ ATOM 322 C CB . ARG A 1 48 ? 38.145 6.326 90.212 1.00 6.01 ? 48 ARG A CB 1
610
+ ATOM 323 C CG . ARG A 1 48 ? 37.347 5.435 89.240 1.00 6.04 ? 48 ARG A CG 1
611
+ ATOM 324 C CD . ARG A 1 48 ? 35.911 5.301 89.653 1.00 6.16 ? 48 ARG A CD 1
612
+ ATOM 325 N NE . ARG A 1 48 ? 35.732 4.568 90.902 1.00 6.41 ? 48 ARG A NE 1
613
+ ATOM 326 C CZ . ARG A 1 48 ? 35.771 3.246 91.023 1.00 6.78 ? 48 ARG A CZ 1
614
+ ATOM 327 N NH1 . ARG A 1 48 ? 35.958 2.490 90.000 1.00 8.12 ? 48 ARG A NH1 1
615
+ ATOM 328 N NH2 . ARG A 1 48 ? 35.594 2.729 92.225 1.00 9.26 ? 48 ARG A NH2 1
616
+ ATOM 329 N N . GLU A 1 49 ? 41.218 6.948 91.625 1.00 6.22 ? 49 GLU A N 1
617
+ ATOM 330 C CA . GLU A 1 49 ? 41.934 7.891 92.482 1.00 6.27 ? 49 GLU A CA 1
618
+ ATOM 331 C C . GLU A 1 49 ? 42.980 8.598 91.656 1.00 5.16 ? 49 GLU A C 1
619
+ ATOM 332 O O . GLU A 1 49 ? 43.674 8.007 90.839 1.00 6.77 ? 49 GLU A O 1
620
+ ATOM 333 C CB . GLU A 1 49 ? 42.604 7.127 93.592 1.00 8.36 ? 49 GLU A CB 1
621
+ ATOM 334 C CG . GLU A 1 49 ? 43.204 8.029 94.650 1.00 10.96 ? 49 GLU A CG 1
622
+ ATOM 335 C CD . GLU A 1 49 ? 43.700 7.306 95.881 1.00 13.39 ? 49 GLU A CD 1
623
+ ATOM 336 O OE1 . GLU A 1 49 ? 43.889 6.119 95.879 1.00 15.59 ? 49 GLU A OE1 1
624
+ ATOM 337 O OE2 . GLU A 1 49 ? 43.837 8.054 96.864 1.00 18.38 ? 49 GLU A OE2 1
625
+ ATOM 338 N N . SER A 1 50 ? 43.117 9.906 91.869 1.00 5.97 ? 50 SER A N 1
626
+ ATOM 339 C CA . SER A 1 50 ? 44.205 10.652 91.243 1.00 6.02 ? 50 SER A CA 1
627
+ ATOM 340 C C . SER A 1 50 ? 45.499 9.912 91.394 1.00 5.63 ? 50 SER A C 1
628
+ ATOM 341 O O . SER A 1 50 ? 45.864 9.522 92.501 1.00 5.77 ? 50 SER A O 1
629
+ ATOM 342 C CB . SER A 1 50 ? 44.333 11.979 91.927 1.00 7.17 ? 50 SER A CB 1
630
+ ATOM 343 O OG . SER A 1 50 ? 45.615 12.580 91.660 1.00 7.72 ? 50 SER A OG 1
631
+ ATOM 344 N N . ILE A 1 51 ? 46.269 9.798 90.316 1.00 5.50 ? 51 ILE A N 1
632
+ ATOM 345 C CA . ILE A 1 51 ? 47.559 9.128 90.403 1.00 5.62 ? 51 ILE A CA 1
633
+ ATOM 346 C C . ILE A 1 51 ? 48.489 9.843 91.400 1.00 4.89 ? 51 ILE A C 1
634
+ ATOM 347 O O . ILE A 1 51 ? 49.297 9.220 92.060 1.00 5.88 ? 51 ILE A O 1
635
+ ATOM 348 C CB . ILE A 1 51 ? 48.173 8.895 89.023 1.00 5.69 ? 51 ILE A CB 1
636
+ ATOM 349 C CG1 . ILE A 1 51 ? 49.457 8.029 89.088 1.00 5.26 ? 51 ILE A CG1 1
637
+ ATOM 350 C CG2 . ILE A 1 51 ? 48.434 10.215 88.269 1.00 6.28 ? 51 ILE A CG2 1
638
+ ATOM 351 C CD1 . ILE A 1 51 ? 49.285 6.661 89.545 1.00 6.65 ? 51 ILE A CD1 1
639
+ ATOM 352 N N . LYS A 1 52 ? 48.369 11.187 91.450 1.00 5.27 ? 52 LYS A N 1
640
+ ATOM 353 C CA . LYS A 1 52 ? 49.155 11.979 92.369 1.00 5.63 ? 52 LYS A CA 1
641
+ ATOM 354 C C . LYS A 1 52 ? 48.766 11.622 93.788 1.00 5.97 ? 52 LYS A C 1
642
+ ATOM 355 O O . LYS A 1 52 ? 49.624 11.348 94.641 1.00 6.41 ? 52 LYS A O 1
643
+ ATOM 356 C CB . LYS A 1 52 ? 49.013 13.448 92.075 1.00 6.18 ? 52 LYS A CB 1
644
+ ATOM 357 C CG . LYS A 1 52 ? 49.789 14.335 93.012 1.00 7.84 ? 52 LYS A CG 1
645
+ ATOM 358 C CD . LYS A 1 52 ? 49.942 15.786 92.580 1.00 8.59 ? 52 LYS A CD 1
646
+ ATOM 359 C CE . LYS A 1 52 ? 48.680 16.431 92.153 1.00 7.88 ? 52 LYS A CE 1
647
+ ATOM 360 N NZ . LYS A 1 52 ? 48.866 17.842 91.807 1.00 8.23 ? 52 LYS A NZ 1
648
+ ATOM 361 N N . ALA A 1 53 ? 47.468 11.686 94.106 1.00 6.04 ? 53 ALA A N 1
649
+ ATOM 362 C CA . ALA A 1 53 ? 46.977 11.327 95.470 1.00 7.01 ? 53 ALA A CA 1
650
+ ATOM 363 C C . ALA A 1 53 ? 47.358 9.890 95.843 1.00 6.25 ? 53 ALA A C 1
651
+ ATOM 364 O O . ALA A 1 53 ? 47.748 9.634 96.992 1.00 7.20 ? 53 ALA A O 1
652
+ ATOM 365 C CB . ALA A 1 53 ? 45.517 11.552 95.617 1.00 7.66 ? 53 ALA A CB 1
653
+ ATOM 366 N N . TYR A 1 54 ? 47.250 8.984 94.914 1.00 5.45 ? 54 TYR A N 1
654
+ ATOM 367 C CA . TYR A 1 54 ? 47.558 7.605 95.099 1.00 5.77 ? 54 TYR A CA 1
655
+ ATOM 368 C C . TYR A 1 54 ? 49.017 7.398 95.506 1.00 6.22 ? 54 TYR A C 1
656
+ ATOM 369 O O . TYR A 1 54 ? 49.346 6.735 96.470 1.00 6.72 ? 54 TYR A O 1
657
+ ATOM 370 C CB . TYR A 1 54 ? 47.185 6.827 93.821 1.00 5.99 ? 54 TYR A CB 1
658
+ ATOM 371 C CG . TYR A 1 54 ? 47.527 5.372 93.847 1.00 6.48 ? 54 TYR A CG 1
659
+ ATOM 372 C CD1 . TYR A 1 54 ? 46.745 4.455 94.509 1.00 9.44 ? 54 TYR A CD1 1
660
+ ATOM 373 C CD2 . TYR A 1 54 ? 48.624 4.853 93.124 1.00 8.93 ? 54 TYR A CD2 1
661
+ ATOM 374 C CE1 . TYR A 1 54 ? 47.078 3.112 94.514 1.00 10.19 ? 54 TYR A CE1 1
662
+ ATOM 375 C CE2 . TYR A 1 54 ? 48.869 3.520 93.078 1.00 11.20 ? 54 TYR A CE2 1
663
+ ATOM 376 C CZ . TYR A 1 54 ? 48.174 2.678 93.810 1.00 10.29 ? 54 TYR A CZ 1
664
+ ATOM 377 O OH . TYR A 1 54 ? 48.507 1.325 93.762 1.00 15.18 ? 54 TYR A OH 1
665
+ ATOM 378 N N . LEU A 1 55 ? 49.916 8.020 94.753 1.00 5.62 ? 55 LEU A N 1
666
+ ATOM 379 C CA . LEU A 1 55 ? 51.328 7.903 95.037 1.00 5.18 ? 55 LEU A CA 1
667
+ ATOM 380 C C . LEU A 1 55 ? 51.722 8.652 96.317 1.00 6.00 ? 55 LEU A C 1
668
+ ATOM 381 O O . LEU A 1 55 ? 52.573 8.186 97.070 1.00 6.89 ? 55 LEU A O 1
669
+ ATOM 382 C CB . LEU A 1 55 ? 52.173 8.338 93.828 1.00 5.77 ? 55 LEU A CB 1
670
+ ATOM 383 C CG . LEU A 1 55 ? 52.058 7.410 92.614 1.00 6.28 ? 55 LEU A CG 1
671
+ ATOM 384 C CD1 . LEU A 1 55 ? 52.769 7.977 91.422 1.00 6.92 ? 55 LEU A CD1 1
672
+ ATOM 385 C CD2 . LEU A 1 55 ? 52.551 6.027 92.893 1.00 6.88 ? 55 LEU A CD2 1
673
+ ATOM 386 N N . LYS A 1 56 ? 51.051 9.763 96.605 1.00 6.70 ? 56 LYS A N 1
674
+ ATOM 387 C CA . LYS A 1 56 ? 51.293 10.466 97.869 1.00 7.43 ? 56 LYS A CA 1
675
+ ATOM 388 C C . LYS A 1 56 ? 50.944 9.540 99.052 1.00 7.51 ? 56 LYS A C 1
676
+ ATOM 389 O O . LYS A 1 56 ? 51.647 9.475 100.046 1.00 8.02 ? 56 LYS A O 1
677
+ ATOM 390 C CB . LYS A 1 56 ? 50.451 11.735 97.918 1.00 8.82 ? 56 LYS A CB 1
678
+ ATOM 391 C CG . LYS A 1 56 ? 51.066 12.902 97.208 1.00 7.91 ? 56 LYS A CG 1
679
+ ATOM 392 C CD . LYS A 1 56 ? 50.389 14.198 97.622 1.00 15.22 ? 56 LYS A CD 1
680
+ ATOM 393 C CE . LYS A 1 56 ? 50.359 14.316 99.129 1.00 21.69 ? 56 LYS A CE 1
681
+ ATOM 394 N NZ . LYS A 1 56 ? 49.381 15.264 99.730 1.00 17.42 ? 56 LYS A NZ 1
682
+ ATOM 395 N N . LYS A 1 57 ? 49.844 8.817 98.915 1.00 7.83 ? 57 LYS A N 1
683
+ ATOM 396 C CA . LYS A 1 57 ? 49.423 7.875 100.005 0.50 8.17 ? 57 LYS A CA 1
684
+ ATOM 397 C C . LYS A 1 57 ? 50.443 6.754 100.147 1.00 7.44 ? 57 LYS A C 1
685
+ ATOM 398 O O . LYS A 1 57 ? 50.734 6.319 101.218 1.00 7.67 ? 57 LYS A O 1
686
+ ATOM 399 C CB . LYS A 1 57 ? 48.034 7.369 99.686 0.50 10.07 ? 57 LYS A CB 1
687
+ ATOM 400 C CG . LYS A 1 57 ? 47.344 6.541 100.710 0.50 16.27 ? 57 LYS A CG 1
688
+ ATOM 401 C CD . LYS A 1 57 ? 45.860 6.310 100.391 0.50 24.55 ? 57 LYS A CD 1
689
+ ATOM 402 C CE . LYS A 1 57 ? 45.107 7.562 99.922 0.50 25.92 ? 57 LYS A CE 1
690
+ ATOM 403 N NZ . LYS A 1 57 ? 43.662 7.363 99.574 0.50 29.67 ? 57 LYS A NZ 1
691
+ ATOM 404 N N . GLU A 1 58 ? 50.975 6.277 99.029 1.00 6.15 ? 58 GLU A N 1
692
+ ATOM 405 C CA . GLU A 1 58 ? 51.995 5.222 99.055 1.00 6.32 ? 58 GLU A CA 1
693
+ ATOM 406 C C . GLU A 1 58 ? 53.250 5.750 99.789 1.00 5.68 ? 58 GLU A C 1
694
+ ATOM 407 O O . GLU A 1 58 ? 53.844 5.050 100.586 1.00 6.53 ? 58 GLU A O 1
695
+ ATOM 408 C CB . GLU A 1 58 ? 52.343 4.729 97.623 1.00 7.37 ? 58 GLU A CB 1
696
+ ATOM 409 C CG . GLU A 1 58 ? 51.191 3.940 96.972 1.00 9.89 ? 58 GLU A CG 1
697
+ ATOM 410 C CD . GLU A 1 58 ? 50.757 2.747 97.807 1.00 18.27 ? 58 GLU A CD 1
698
+ ATOM 411 O OE1 . GLU A 1 58 ? 51.581 1.983 98.215 1.00 19.70 ? 58 GLU A OE1 1
699
+ ATOM 412 O OE2 . GLU A 1 58 ? 49.480 2.569 98.053 1.00 24.80 ? 58 GLU A OE2 1
700
+ ATOM 413 N N . ILE A 1 59 ? 53.631 6.978 99.505 1.00 5.94 ? 59 ILE A N 1
701
+ ATOM 414 C CA . ILE A 1 59 ? 54.791 7.590 100.206 1.00 6.62 ? 59 ILE A CA 1
702
+ ATOM 415 C C . ILE A 1 59 ? 54.505 7.685 101.703 1.00 6.46 ? 59 ILE A C 1
703
+ ATOM 416 O O . ILE A 1 59 ? 55.349 7.382 102.513 1.00 7.20 ? 59 ILE A O 1
704
+ ATOM 417 C CB . ILE A 1 59 ? 55.156 8.936 99.597 1.00 6.54 ? 59 ILE A CB 1
705
+ ATOM 418 C CG1 . ILE A 1 59 ? 55.673 8.802 98.156 1.00 7.71 ? 59 ILE A CG1 1
706
+ ATOM 419 C CG2 . ILE A 1 59 ? 56.197 9.661 100.454 1.00 8.72 ? 59 ILE A CG2 1
707
+ ATOM 420 C CD1 . ILE A 1 59 ? 55.835 10.102 97.392 1.00 10.63 ? 59 ILE A CD1 1
708
+ ATOM 421 N N . LYS A 1 60 ? 53.299 8.103 102.038 1.00 6.70 ? 60 LYS A N 1
709
+ ATOM 422 C CA . LYS A 1 60 ? 52.937 8.207 103.483 1.00 8.41 ? 60 LYS A CA 1
710
+ ATOM 423 C C . LYS A 1 60 ? 53.022 6.856 104.170 1.00 8.68 ? 60 LYS A C 1
711
+ ATOM 424 O O . LYS A 1 60 ? 53.456 6.735 105.287 1.00 10.42 ? 60 LYS A O 1
712
+ ATOM 425 C CB . LYS A 1 60 ? 51.547 8.812 103.581 1.00 10.39 ? 60 LYS A CB 1
713
+ ATOM 426 C CG . LYS A 1 60 ? 50.948 8.961 104.966 1.00 16.20 ? 60 LYS A CG 1
714
+ ATOM 427 C CD . LYS A 1 60 ? 49.587 9.728 104.831 1.00 24.33 ? 60 LYS A CD 1
715
+ ATOM 428 C CE . LYS A 1 60 ? 48.252 8.935 104.995 1.00 48.03 ? 60 LYS A CE 1
716
+ ATOM 429 N NZ . LYS A 1 60 ? 47.340 8.788 103.764 1.00 71.45 ? 60 LYS A NZ 1
717
+ ATOM 430 N N . LYS A 1 61 ? 52.641 5.813 103.482 1.00 8.55 ? 61 LYS A N 1
718
+ ATOM 431 C CA . LYS A 1 61 ? 52.670 4.467 104.052 0.50 9.40 ? 61 LYS A CA 1
719
+ ATOM 432 C C . LYS A 1 61 ? 54.075 3.910 104.158 1.00 9.61 ? 61 LYS A C 1
720
+ ATOM 433 O O . LYS A 1 61 ? 54.439 3.260 105.155 1.00 11.02 ? 61 LYS A O 1
721
+ ATOM 434 C CB . LYS A 1 61 ? 51.759 3.560 103.215 0.50 10.01 ? 61 LYS A CB 1
722
+ ATOM 435 C CG . LYS A 1 61 ? 51.685 2.098 103.667 0.50 12.40 ? 61 LYS A CG 1
723
+ ATOM 436 C CD . LYS A 1 61 ? 50.911 1.223 102.669 0.50 19.97 ? 61 LYS A CD 1
724
+ ATOM 437 C CE . LYS A 1 61 ? 51.096 -0.277 102.945 0.50 25.56 ? 61 LYS A CE 1
725
+ ATOM 438 N NZ . LYS A 1 61 ? 50.272 -1.012 101.950 0.50 32.79 ? 61 LYS A NZ 1
726
+ ATOM 439 N N . LYS A 1 62 ? 54.882 4.080 103.124 1.00 7.57 ? 62 LYS A N 1
727
+ ATOM 440 C CA . LYS A 1 62 ? 56.114 3.295 102.956 1.00 9.44 ? 62 LYS A CA 1
728
+ ATOM 441 C C . LYS A 1 62 ? 57.391 4.087 102.887 1.00 7.14 ? 62 LYS A C 1
729
+ ATOM 442 O O . LYS A 1 62 ? 58.471 3.497 103.074 1.00 8.24 ? 62 LYS A O 1
730
+ ATOM 443 C CB . LYS A 1 62 ? 56.068 2.484 101.602 1.00 10.63 ? 62 LYS A CB 1
731
+ ATOM 444 C CG . LYS A 1 62 ? 54.863 1.588 101.444 1.00 11.94 ? 62 LYS A CG 1
732
+ ATOM 445 C CD . LYS A 1 62 ? 55.001 0.827 100.113 1.00 16.14 ? 62 LYS A CD 1
733
+ ATOM 446 C CE . LYS A 1 62 ? 53.759 0.019 99.861 1.00 17.82 ? 62 LYS A CE 1
734
+ ATOM 447 N NZ . LYS A 1 62 ? 53.977 -0.649 98.573 1.00 20.28 ? 62 LYS A NZ 1
735
+ ATOM 448 N N . GLY A 1 63 ? 57.313 5.364 102.613 1.00 6.86 ? 63 GLY A N 1
736
+ ATOM 449 C CA . GLY A 1 63 ? 58.475 6.157 102.391 1.00 6.83 ? 63 GLY A CA 1
737
+ ATOM 450 C C . GLY A 1 63 ? 58.882 6.119 100.918 1.00 6.16 ? 63 GLY A C 1
738
+ ATOM 451 O O . GLY A 1 63 ? 58.605 5.202 100.205 1.00 6.90 ? 63 GLY A O 1
739
+ ATOM 452 N N . LYS A 1 64 ? 59.607 7.165 100.526 1.00 6.67 ? 64 LYS A N 1
740
+ ATOM 453 C CA . LYS A 1 64 ? 59.952 7.345 99.117 0.50 7.31 ? 64 LYS A CA 1
741
+ ATOM 454 C C . LYS A 1 64 ? 60.805 6.179 98.548 1.00 6.94 ? 64 LYS A C 1
742
+ ATOM 455 O O . LYS A 1 64 ? 60.603 5.689 97.436 1.00 7.43 ? 64 LYS A O 1
743
+ ATOM 456 C CB . LYS A 1 64 ? 60.626 8.685 98.916 0.50 7.48 ? 64 LYS A CB 1
744
+ ATOM 457 C CG . LYS A 1 64 ? 60.931 9.008 97.499 0.50 8.94 ? 64 LYS A CG 1
745
+ ATOM 458 C CD . LYS A 1 64 ? 61.695 10.337 97.522 0.50 13.86 ? 64 LYS A CD 1
746
+ ATOM 459 C CE . LYS A 1 64 ? 61.638 10.963 96.137 0.50 17.39 ? 64 LYS A CE 1
747
+ ATOM 460 N NZ . LYS A 1 64 ? 61.607 12.453 96.302 0.50 26.17 ? 64 LYS A NZ 1
748
+ ATOM 461 N N . ARG A 1 65 ? 61.812 5.774 99.330 1.00 7.22 ? 65 ARG A N 1
749
+ ATOM 462 C CA . ARG A 1 65 ? 62.698 4.715 98.840 1.00 7.38 ? 65 ARG A CA 1
750
+ ATOM 463 C C . ARG A 1 65 ? 61.891 3.459 98.524 1.00 7.26 ? 65 ARG A C 1
751
+ ATOM 464 O O . ARG A 1 65 ? 62.096 2.826 97.505 1.00 7.10 ? 65 ARG A O 1
752
+ ATOM 465 C CB . ARG A 1 65 ? 63.789 4.403 99.866 1.00 20.00 ? 65 ARG A CB 1
753
+ ATOM 466 C CG . ARG A 1 65 ? 64.754 3.311 99.432 1.00 20.00 ? 65 ARG A CG 1
754
+ ATOM 467 C CD . ARG A 1 65 ? 65.867 3.033 100.430 1.00 20.00 ? 65 ARG A CD 1
755
+ ATOM 468 N NE . ARG A 1 65 ? 67.173 3.440 99.921 1.00 20.00 ? 65 ARG A NE 1
756
+ ATOM 469 C CZ . ARG A 1 65 ? 68.311 2.827 100.212 1.00 20.00 ? 65 ARG A CZ 1
757
+ ATOM 470 N NH1 . ARG A 1 65 ? 68.310 1.767 101.011 1.00 20.00 ? 65 ARG A NH1 1
758
+ ATOM 471 N NH2 . ARG A 1 65 ? 69.454 3.267 99.704 1.00 20.00 ? 65 ARG A NH2 1
759
+ ATOM 472 N N . ALA A 1 66 ? 61.012 3.073 99.438 1.00 6.74 ? 66 ALA A N 1
760
+ ATOM 473 C CA . ALA A 1 66 ? 60.229 1.846 99.259 1.00 8.18 ? 66 ALA A CA 1
761
+ ATOM 474 C C . ALA A 1 66 ? 59.211 1.974 98.126 1.00 5.83 ? 66 ALA A C 1
762
+ ATOM 475 O O . ALA A 1 66 ? 58.883 1.018 97.440 1.00 6.61 ? 66 ALA A O 1
763
+ ATOM 476 C CB . ALA A 1 66 ? 59.559 1.407 100.548 1.00 9.41 ? 66 ALA A CB 1
764
+ ATOM 477 N N . VAL A 1 67 ? 58.667 3.182 97.946 1.00 5.50 ? 67 VAL A N 1
765
+ ATOM 478 C CA . VAL A 1 67 ? 57.752 3.423 96.798 1.00 5.07 ? 67 VAL A CA 1
766
+ ATOM 479 C C . VAL A 1 67 ? 58.522 3.248 95.506 1.00 4.79 ? 67 VAL A C 1
767
+ ATOM 480 O O . VAL A 1 67 ? 58.044 2.609 94.563 1.00 5.64 ? 67 VAL A O 1
768
+ ATOM 481 C CB . VAL A 1 67 ? 57.022 4.759 96.917 1.00 5.19 ? 67 VAL A CB 1
769
+ ATOM 482 C CG1 . VAL A 1 67 ? 56.125 5.001 95.718 1.00 5.60 ? 67 VAL A CG1 1
770
+ ATOM 483 C CG2 . VAL A 1 67 ? 56.104 4.757 98.168 1.00 5.78 ? 67 VAL A CG2 1
771
+ ATOM 484 N N . ILE A 1 68 ? 59.727 3.841 95.384 1.00 5.21 ? 68 ILE A N 1
772
+ ATOM 485 C CA . ILE A 1 68 ? 60.561 3.624 94.216 1.00 5.88 ? 68 ILE A CA 1
773
+ ATOM 486 C C . ILE A 1 68 ? 60.801 2.141 94.009 1.00 5.00 ? 68 ILE A C 1
774
+ ATOM 487 O O . ILE A 1 68 ? 60.698 1.619 92.878 1.00 5.22 ? 68 ILE A O 1
775
+ ATOM 488 C CB . ILE A 1 68 ? 61.870 4.429 94.270 1.00 6.08 ? 68 ILE A CB 1
776
+ ATOM 489 C CG1 . ILE A 1 68 ? 61.597 5.936 94.242 1.00 7.75 ? 68 ILE A CG1 1
777
+ ATOM 490 C CG2 . ILE A 1 68 ? 62.862 3.996 93.161 1.00 6.35 ? 68 ILE A CG2 1
778
+ ATOM 491 C CD1 . ILE A 1 68 ? 62.722 6.768 94.610 1.00 12.49 ? 68 ILE A CD1 1
779
+ ATOM 492 N N . ALA A 1 69 ? 61.158 1.447 95.083 1.00 5.18 ? 69 ALA A N 1
780
+ ATOM 493 C CA . ALA A 1 69 ? 61.428 0.035 94.975 1.00 5.94 ? 69 ALA A CA 1
781
+ ATOM 494 C C . ALA A 1 69 ? 60.241 -0.741 94.435 1.00 5.42 ? 69 ALA A C 1
782
+ ATOM 495 O O . ALA A 1 69 ? 60.425 -1.669 93.625 1.00 6.42 ? 69 ALA A O 1
783
+ ATOM 496 C CB . ALA A 1 69 ? 61.893 -0.531 96.329 1.00 6.31 ? 69 ALA A CB 1
784
+ ATOM 497 N N . TRP A 1 70 ? 59.040 -0.438 94.937 1.00 5.71 ? 70 TRP A N 1
785
+ ATOM 498 C CA . TRP A 1 70 ? 57.801 -1.107 94.505 1.00 6.03 ? 70 TRP A CA 1
786
+ ATOM 499 C C . TRP A 1 70 ? 57.442 -0.744 93.080 1.00 4.94 ? 70 TRP A C 1
787
+ ATOM 500 O O . TRP A 1 70 ? 57.076 -1.601 92.288 1.00 6.42 ? 70 TRP A O 1
788
+ ATOM 501 C CB . TRP A 1 70 ? 56.735 -0.689 95.507 1.00 7.25 ? 70 TRP A CB 1
789
+ ATOM 502 C CG . TRP A 1 70 ? 55.318 -0.886 95.120 1.00 8.86 ? 70 TRP A CG 1
790
+ ATOM 503 C CD1 . TRP A 1 70 ? 54.564 -2.047 95.230 1.00 10.23 ? 70 TRP A CD1 1
791
+ ATOM 504 C CD2 . TRP A 1 70 ? 54.424 0.151 94.690 1.00 7.42 ? 70 TRP A CD2 1
792
+ ATOM 505 N NE1 . TRP A 1 70 ? 53.250 -1.733 94.869 1.00 11.99 ? 70 TRP A NE1 1
793
+ ATOM 506 C CE2 . TRP A 1 70 ? 53.146 -0.426 94.528 1.00 8.86 ? 70 TRP A CE2 1
794
+ ATOM 507 C CE3 . TRP A 1 70 ? 54.571 1.487 94.407 1.00 8.60 ? 70 TRP A CE3 1
795
+ ATOM 508 C CZ2 . TRP A 1 70 ? 52.023 0.303 94.124 1.00 9.12 ? 70 TRP A CZ2 1
796
+ ATOM 509 C CZ3 . TRP A 1 70 ? 53.421 2.213 94.017 1.00 9.76 ? 70 TRP A CZ3 1
797
+ ATOM 510 C CH2 . TRP A 1 70 ? 52.187 1.604 93.893 1.00 10.30 ? 70 TRP A CH2 1
798
+ #
799
+ loop_
800
+ _pdbx_audit_revision_history.ordinal
801
+ _pdbx_audit_revision_history.data_content_type
802
+ _pdbx_audit_revision_history.major_revision
803
+ _pdbx_audit_revision_history.minor_revision
804
+ _pdbx_audit_revision_history.revision_date
805
+ 1 'Structure model' 1 0 2015-04-15
806
+ 2 'Structure model' 1 1 2015-08-26
807
+ 3 'Structure model' 1 2 2023-09-20
808
+ #
mmcifs/4RGI_A.cif ADDED
@@ -0,0 +1,876 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_4RGI_A
2
+ #
3
+ _pdbx_database_status.entry_id 4RGI_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 AMQRQPVSSSRILSIGYDPDNRMLEIQFREQGTYQYLGVPERAHQNFMSAVSKGRFFDGVIKGKFLCRKIG
21
+ _entity_poly.pdbx_seq_one_letter_code_can AMQRQPVSSSRILSIGYDPDNRMLEIQFREQGTYQYLGVPERAHQNFMSAVSKGRFFDGVIKGKFLCRKIG
22
+ _entity_poly.pdbx_strand_id A
23
+ _entity_poly.pdbx_target_identifier ?
24
+ #
25
+ loop_
26
+ _entity_poly_seq.entity_id
27
+ _entity_poly_seq.num
28
+ _entity_poly_seq.mon_id
29
+ _entity_poly_seq.hetero
30
+ 1 1 ALA n
31
+ 1 2 MET n
32
+ 1 3 GLN n
33
+ 1 4 ARG n
34
+ 1 5 GLN n
35
+ 1 6 PRO n
36
+ 1 7 VAL n
37
+ 1 8 SER n
38
+ 1 9 SER n
39
+ 1 10 SER n
40
+ 1 11 ARG n
41
+ 1 12 ILE n
42
+ 1 13 LEU n
43
+ 1 14 SER n
44
+ 1 15 ILE n
45
+ 1 16 GLY n
46
+ 1 17 TYR n
47
+ 1 18 ASP n
48
+ 1 19 PRO n
49
+ 1 20 ASP n
50
+ 1 21 ASN n
51
+ 1 22 ARG n
52
+ 1 23 MET n
53
+ 1 24 LEU n
54
+ 1 25 GLU n
55
+ 1 26 ILE n
56
+ 1 27 GLN n
57
+ 1 28 PHE n
58
+ 1 29 ARG n
59
+ 1 30 GLU n
60
+ 1 31 GLN n
61
+ 1 32 GLY n
62
+ 1 33 THR n
63
+ 1 34 TYR n
64
+ 1 35 GLN n
65
+ 1 36 TYR n
66
+ 1 37 LEU n
67
+ 1 38 GLY n
68
+ 1 39 VAL n
69
+ 1 40 PRO n
70
+ 1 41 GLU n
71
+ 1 42 ARG n
72
+ 1 43 ALA n
73
+ 1 44 HIS n
74
+ 1 45 GLN n
75
+ 1 46 ASN n
76
+ 1 47 PHE n
77
+ 1 48 MET n
78
+ 1 49 SER n
79
+ 1 50 ALA n
80
+ 1 51 VAL n
81
+ 1 52 SER n
82
+ 1 53 LYS n
83
+ 1 54 GLY n
84
+ 1 55 ARG n
85
+ 1 56 PHE n
86
+ 1 57 PHE n
87
+ 1 58 ASP n
88
+ 1 59 GLY n
89
+ 1 60 VAL n
90
+ 1 61 ILE n
91
+ 1 62 LYS n
92
+ 1 63 GLY n
93
+ 1 64 LYS n
94
+ 1 65 PHE n
95
+ 1 66 LEU n
96
+ 1 67 CYS n
97
+ 1 68 ARG n
98
+ 1 69 LYS n
99
+ 1 70 ILE n
100
+ 1 71 GLY n
101
+ #
102
+ _entity.id 1
103
+ _entity.type polymer
104
+ _entity.src_method man
105
+ _entity.pdbx_description ?
106
+ _entity.formula_weight 8167.396
107
+ _entity.pdbx_number_of_molecules 1
108
+ _entity.pdbx_ec ?
109
+ _entity.pdbx_mutation ?
110
+ _entity.pdbx_fragment ?
111
+ _entity.details ?
112
+ #
113
+ loop_
114
+ _pdbx_poly_seq_scheme.asym_id
115
+ _pdbx_poly_seq_scheme.entity_id
116
+ _pdbx_poly_seq_scheme.seq_id
117
+ _pdbx_poly_seq_scheme.mon_id
118
+ _pdbx_poly_seq_scheme.ndb_seq_num
119
+ _pdbx_poly_seq_scheme.pdb_seq_num
120
+ _pdbx_poly_seq_scheme.auth_seq_num
121
+ _pdbx_poly_seq_scheme.pdb_mon_id
122
+ _pdbx_poly_seq_scheme.auth_mon_id
123
+ _pdbx_poly_seq_scheme.pdb_strand_id
124
+ _pdbx_poly_seq_scheme.pdb_ins_code
125
+ _pdbx_poly_seq_scheme.hetero
126
+ A 1 1 ALA 1 1 1 ALA ALA A . n
127
+ A 1 2 MET 2 2 2 MET MET A . n
128
+ A 1 3 GLN 3 3 3 GLN GLN A . n
129
+ A 1 4 ARG 4 4 4 ARG ARG A . n
130
+ A 1 5 GLN 5 5 5 GLN GLN A . n
131
+ A 1 6 PRO 6 6 6 PRO PRO A . n
132
+ A 1 7 VAL 7 7 7 VAL VAL A . n
133
+ A 1 8 SER 8 8 8 SER SER A . n
134
+ A 1 9 SER 9 9 9 SER SER A . n
135
+ A 1 10 SER 10 10 10 SER SER A . n
136
+ A 1 11 ARG 11 11 11 ARG ARG A . n
137
+ A 1 12 ILE 12 12 12 ILE ILE A . n
138
+ A 1 13 LEU 13 13 13 LEU LEU A . n
139
+ A 1 14 SER 14 14 14 SER SER A . n
140
+ A 1 15 ILE 15 15 15 ILE ILE A . n
141
+ A 1 16 GLY 16 16 16 GLY GLY A . n
142
+ A 1 17 TYR 17 17 17 TYR TYR A . n
143
+ A 1 18 ASP 18 18 18 ASP ASP A . n
144
+ A 1 19 PRO 19 19 19 PRO PRO A . n
145
+ A 1 20 ASP 20 20 20 ASP ASP A . n
146
+ A 1 21 ASN 21 21 21 ASN ASN A . n
147
+ A 1 22 ARG 22 22 22 ARG ARG A . n
148
+ A 1 23 MET 23 23 23 MET MET A . n
149
+ A 1 24 LEU 24 24 24 LEU LEU A . n
150
+ A 1 25 GLU 25 25 25 GLU GLU A . n
151
+ A 1 26 ILE 26 26 26 ILE ILE A . n
152
+ A 1 27 GLN 27 27 27 GLN GLN A . n
153
+ A 1 28 PHE 28 28 28 PHE PHE A . n
154
+ A 1 29 ARG 29 29 29 ARG ARG A . n
155
+ A 1 30 GLU 30 30 30 GLU GLU A . n
156
+ A 1 31 GLN 31 31 31 GLN GLN A . n
157
+ A 1 32 GLY 32 32 32 GLY GLY A . n
158
+ A 1 33 THR 33 33 33 THR THR A . n
159
+ A 1 34 TYR 34 34 34 TYR TYR A . n
160
+ A 1 35 GLN 35 35 35 GLN GLN A . n
161
+ A 1 36 TYR 36 36 36 TYR TYR A . n
162
+ A 1 37 LEU 37 37 37 LEU LEU A . n
163
+ A 1 38 GLY 38 38 38 GLY GLY A . n
164
+ A 1 39 VAL 39 39 39 VAL VAL A . n
165
+ A 1 40 PRO 40 40 40 PRO PRO A . n
166
+ A 1 41 GLU 41 41 41 GLU GLU A . n
167
+ A 1 42 ARG 42 42 42 ARG ARG A . n
168
+ A 1 43 ALA 43 43 43 ALA ALA A . n
169
+ A 1 44 HIS 44 44 44 HIS HIS A . n
170
+ A 1 45 GLN 45 45 45 GLN GLN A . n
171
+ A 1 46 ASN 46 46 46 ASN ASN A . n
172
+ A 1 47 PHE 47 47 47 PHE PHE A . n
173
+ A 1 48 MET 48 48 48 MET MET A . n
174
+ A 1 49 SER 49 49 49 SER SER A . n
175
+ A 1 50 ALA 50 50 50 ALA ALA A . n
176
+ A 1 51 VAL 51 51 51 VAL VAL A . n
177
+ A 1 52 SER 52 52 52 SER SER A . n
178
+ A 1 53 LYS 53 53 53 LYS LYS A . n
179
+ A 1 54 GLY 54 54 54 GLY GLY A . n
180
+ A 1 55 ARG 55 55 55 ARG ARG A . n
181
+ A 1 56 PHE 56 56 56 PHE PHE A . n
182
+ A 1 57 PHE 57 57 57 PHE PHE A . n
183
+ A 1 58 ASP 58 58 58 ASP ASP A . n
184
+ A 1 59 GLY 59 59 59 GLY GLY A . n
185
+ A 1 60 VAL 60 60 60 VAL VAL A . n
186
+ A 1 61 ILE 61 61 61 ILE ILE A . n
187
+ A 1 62 LYS 62 62 62 LYS LYS A . n
188
+ A 1 63 GLY 63 63 63 GLY GLY A . n
189
+ A 1 64 LYS 64 64 64 LYS LYS A . n
190
+ A 1 65 PHE 65 65 65 PHE PHE A . n
191
+ A 1 66 LEU 66 66 66 LEU LEU A . n
192
+ A 1 67 CYS 67 67 67 CYS CYS A . n
193
+ A 1 68 ARG 68 68 68 ARG ARG A . n
194
+ A 1 69 LYS 69 69 69 LYS LYS A . n
195
+ A 1 70 ILE 70 70 70 ILE ILE A . n
196
+ A 1 71 GLY 71 71 71 GLY GLY A . n
197
+ #
198
+ loop_
199
+ _chem_comp.id
200
+ _chem_comp.type
201
+ _chem_comp.mon_nstd_flag
202
+ _chem_comp.name
203
+ _chem_comp.pdbx_synonyms
204
+ _chem_comp.formula
205
+ _chem_comp.formula_weight
206
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
207
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
208
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
209
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
210
+ CYS "L-peptide linking" y CYSTEINE ? "C3 H7 N O2 S" 121.158
211
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
212
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
213
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
214
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
215
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
216
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
217
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
218
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
219
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
220
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
221
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
222
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
223
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
224
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
225
+ #
226
+ _struct_asym.id A
227
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
228
+ _struct_asym.pdbx_modified N
229
+ _struct_asym.entity_id 1
230
+ _struct_asym.details ?
231
+ #
232
+ _atom_sites.entry_id 4RGI_A
233
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
234
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
235
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
236
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
237
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
238
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
239
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
240
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
241
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
242
+ _atom_sites.fract_transf_vector[1] 0.00000
243
+ _atom_sites.fract_transf_vector[2] 0.00000
244
+ _atom_sites.fract_transf_vector[3] 0.00000
245
+ #
246
+ _pdbx_validate_rmsd_bond.id 1
247
+ _pdbx_validate_rmsd_bond.PDB_model_num 1
248
+ _pdbx_validate_rmsd_bond.auth_atom_id_1 CG
249
+ _pdbx_validate_rmsd_bond.auth_asym_id_1 A
250
+ _pdbx_validate_rmsd_bond.auth_comp_id_1 MET
251
+ _pdbx_validate_rmsd_bond.auth_seq_id_1 48
252
+ _pdbx_validate_rmsd_bond.PDB_ins_code_1 ?
253
+ _pdbx_validate_rmsd_bond.label_alt_id_1 ?
254
+ _pdbx_validate_rmsd_bond.auth_atom_id_2 SD
255
+ _pdbx_validate_rmsd_bond.auth_asym_id_2 A
256
+ _pdbx_validate_rmsd_bond.auth_comp_id_2 MET
257
+ _pdbx_validate_rmsd_bond.auth_seq_id_2 48
258
+ _pdbx_validate_rmsd_bond.PDB_ins_code_2 ?
259
+ _pdbx_validate_rmsd_bond.label_alt_id_2 ?
260
+ _pdbx_validate_rmsd_bond.bond_value 1.977
261
+ _pdbx_validate_rmsd_bond.bond_target_value 1.807
262
+ _pdbx_validate_rmsd_bond.bond_deviation 0.170
263
+ _pdbx_validate_rmsd_bond.bond_standard_deviation 0.026
264
+ _pdbx_validate_rmsd_bond.linker_flag N
265
+ #
266
+ loop_
267
+ _atom_type.symbol
268
+ C
269
+ N
270
+ O
271
+ S
272
+ #
273
+ _entry.id 4RGI_A
274
+ #
275
+ loop_
276
+ _atom_site.group_PDB
277
+ _atom_site.id
278
+ _atom_site.type_symbol
279
+ _atom_site.label_atom_id
280
+ _atom_site.label_alt_id
281
+ _atom_site.label_comp_id
282
+ _atom_site.label_asym_id
283
+ _atom_site.label_entity_id
284
+ _atom_site.label_seq_id
285
+ _atom_site.pdbx_PDB_ins_code
286
+ _atom_site.Cartn_x
287
+ _atom_site.Cartn_y
288
+ _atom_site.Cartn_z
289
+ _atom_site.occupancy
290
+ _atom_site.B_iso_or_equiv
291
+ _atom_site.pdbx_formal_charge
292
+ _atom_site.auth_seq_id
293
+ _atom_site.auth_comp_id
294
+ _atom_site.auth_asym_id
295
+ _atom_site.auth_atom_id
296
+ _atom_site.pdbx_PDB_model_num
297
+ ATOM 1 N N . ALA A 1 1 ? 8.990 -4.960 10.456 1.00 51.15 ? 1 ALA A N 1
298
+ ATOM 2 C CA . ALA A 1 1 ? 9.785 -3.934 9.798 1.00 44.33 ? 1 ALA A CA 1
299
+ ATOM 3 C C . ALA A 1 1 ? 8.858 -2.828 9.363 1.00 48.05 ? 1 ALA A C 1
300
+ ATOM 4 O O . ALA A 1 1 ? 7.654 -2.897 9.602 1.00 64.07 ? 1 ALA A O 1
301
+ ATOM 5 C CB . ALA A 1 1 ? 10.536 -4.500 8.618 1.00 39.41 ? 1 ALA A CB 1
302
+ ATOM 6 N N . MET A 1 2 ? 9.415 -1.812 8.717 0.48 41.98 ? 2 MET A N 1
303
+ ATOM 7 C CA . MET A 1 2 ? 8.613 -0.683 8.272 0.48 42.58 ? 2 MET A CA 1
304
+ ATOM 8 C C . MET A 1 2 ? 8.229 -0.828 6.808 0.48 38.01 ? 2 MET A C 1
305
+ ATOM 9 O O . MET A 1 2 ? 8.960 -1.418 6.010 0.48 36.41 ? 2 MET A O 1
306
+ ATOM 10 C CB . MET A 1 2 ? 9.360 0.630 8.484 0.48 42.92 ? 2 MET A CB 1
307
+ ATOM 11 C CG . MET A 1 2 ? 10.362 0.946 7.395 0.48 45.26 ? 2 MET A CG 1
308
+ ATOM 12 S SD . MET A 1 2 ? 10.424 2.861 7.040 0.40 34.88 ? 2 MET A SD 1
309
+ ATOM 13 C CE . MET A 1 2 ? 11.933 3.350 8.166 0.48 26.34 ? 2 MET A CE 1
310
+ ATOM 14 N N . GLN A 1 3 ? 7.068 -0.293 6.462 1.00 30.61 ? 3 GLN A N 1
311
+ ATOM 15 C CA . GLN A 1 3 ? 6.648 -0.267 5.078 1.00 31.02 ? 3 GLN A CA 1
312
+ ATOM 16 C C . GLN A 1 3 ? 6.229 1.134 4.685 1.00 26.55 ? 3 GLN A C 1
313
+ ATOM 17 O O . GLN A 1 3 ? 5.637 1.858 5.485 1.00 29.29 ? 3 GLN A O 1
314
+ ATOM 18 C CB . GLN A 1 3 ? 5.508 -1.241 4.843 1.00 33.43 ? 3 GLN A CB 1
315
+ ATOM 19 C CG . GLN A 1 3 ? 5.935 -2.694 4.898 1.00 42.00 ? 3 GLN A CG 1
316
+ ATOM 20 C CD . GLN A 1 3 ? 4.780 -3.607 4.598 1.00 48.44 ? 3 GLN A CD 1
317
+ ATOM 21 O OE1 . GLN A 1 3 ? 4.206 -3.548 3.509 1.00 52.50 ? 3 GLN A OE1 1
318
+ ATOM 22 N NE2 . GLN A 1 3 ? 4.403 -4.437 5.572 1.00 39.30 ? 3 GLN A NE2 1
319
+ ATOM 23 N N . ARG A 1 4 ? 6.537 1.509 3.450 1.00 25.56 ? 4 ARG A N 1
320
+ ATOM 24 C CA . ARG A 1 4 ? 6.218 2.843 2.985 1.00 23.13 ? 4 ARG A CA 1
321
+ ATOM 25 C C . ARG A 1 4 ? 4.775 2.914 2.502 1.00 23.01 ? 4 ARG A C 1
322
+ ATOM 26 O O . ARG A 1 4 ? 4.249 1.952 1.928 1.00 32.34 ? 4 ARG A O 1
323
+ ATOM 27 C CB . ARG A 1 4 ? 7.178 3.277 1.874 1.00 22.70 ? 4 ARG A CB 1
324
+ ATOM 28 C CG . ARG A 1 4 ? 8.647 3.265 2.274 1.00 23.06 ? 4 ARG A CG 1
325
+ ATOM 29 C CD . ARG A 1 4 ? 9.493 3.941 1.219 1.00 22.71 ? 4 ARG A CD 1
326
+ ATOM 30 N NE . ARG A 1 4 ? 9.302 3.345 -0.098 1.00 30.91 ? 4 ARG A NE 1
327
+ ATOM 31 C CZ . ARG A 1 4 ? 10.102 2.426 -0.626 1.00 24.91 ? 4 ARG A CZ 1
328
+ ATOM 32 N NH1 . ARG A 1 4 ? 11.160 2.000 0.050 1.00 25.69 ? 4 ARG A NH1 1
329
+ ATOM 33 N NH2 . ARG A 1 4 ? 9.849 1.947 -1.834 1.00 27.82 ? 4 ARG A NH2 1
330
+ ATOM 34 N N . GLN A 1 5 ? 4.142 4.053 2.759 1.00 21.83 ? 5 GLN A N 1
331
+ ATOM 35 C CA . GLN A 1 5 ? 2.792 4.328 2.285 1.00 21.71 ? 5 GLN A CA 1
332
+ ATOM 36 C C . GLN A 1 5 ? 2.875 5.175 1.045 1.00 20.77 ? 5 GLN A C 1
333
+ ATOM 37 O O . GLN A 1 5 ? 3.588 6.165 1.037 1.00 19.69 ? 5 GLN A O 1
334
+ ATOM 38 C CB . GLN A 1 5 ? 1.972 5.072 3.331 1.00 21.86 ? 5 GLN A CB 1
335
+ ATOM 39 C CG . GLN A 1 5 ? 1.905 4.433 4.687 1.00 35.32 ? 5 GLN A CG 1
336
+ ATOM 40 C CD . GLN A 1 5 ? 1.063 5.255 5.646 1.00 61.03 ? 5 GLN A CD 1
337
+ ATOM 41 O OE1 . GLN A 1 5 ? 1.557 6.184 6.295 1.00 62.81 ? 5 GLN A OE1 1
338
+ ATOM 42 N NE2 . GLN A 1 5 ? -0.223 4.927 5.729 1.00 65.18 ? 5 GLN A NE2 1
339
+ ATOM 43 N N . PRO A 1 6 ? 2.144 4.812 -0.011 1.00 21.42 ? 6 PRO A N 1
340
+ ATOM 44 C CA . PRO A 1 6 ? 2.156 5.696 -1.185 1.00 20.73 ? 6 PRO A CA 1
341
+ ATOM 45 C C . PRO A 1 6 ? 1.517 7.046 -0.882 1.00 19.46 ? 6 PRO A C 1
342
+ ATOM 46 O O . PRO A 1 6 ? 0.595 7.095 -0.077 1.00 19.55 ? 6 PRO A O 1
343
+ ATOM 47 C CB . PRO A 1 6 ? 1.334 4.923 -2.217 1.00 26.07 ? 6 PRO A CB 1
344
+ ATOM 48 C CG . PRO A 1 6 ? 1.419 3.496 -1.764 1.00 32.29 ? 6 PRO A CG 1
345
+ ATOM 49 C CD . PRO A 1 6 ? 1.452 3.542 -0.274 1.00 23.13 ? 6 PRO A CD 1
346
+ ATOM 50 N N . VAL A 1 7 ? 2.038 8.114 -1.479 1.00 18.54 ? 7 VAL A N 1
347
+ ATOM 51 C CA . VAL A 1 7 ? 1.449 9.452 -1.334 1.00 17.52 ? 7 VAL A CA 1
348
+ ATOM 52 C C . VAL A 1 7 ? 1.332 10.117 -2.698 1.00 24.02 ? 7 VAL A C 1
349
+ ATOM 53 O O . VAL A 1 7 ? 1.945 9.670 -3.668 1.00 20.76 ? 7 VAL A O 1
350
+ ATOM 54 C CB . VAL A 1 7 ? 2.294 10.364 -0.403 1.00 16.56 ? 7 VAL A CB 1
351
+ ATOM 55 C CG1 . VAL A 1 7 ? 2.382 9.792 0.996 1.00 16.89 ? 7 VAL A CG1 1
352
+ ATOM 56 C CG2 . VAL A 1 7 ? 3.685 10.568 -0.968 1.00 16.47 ? 7 VAL A CG2 1
353
+ ATOM 57 N N . SER A 1 8 ? 0.540 11.185 -2.777 0.51 18.03 ? 8 SER A N 1
354
+ ATOM 58 C CA . SER A 1 8 ? 0.441 11.947 -4.016 0.51 19.64 ? 8 SER A CA 1
355
+ ATOM 59 C C . SER A 1 8 ? 1.295 13.198 -3.902 0.51 19.51 ? 8 SER A C 1
356
+ ATOM 60 O O . SER A 1 8 ? 1.084 14.029 -3.018 0.51 20.76 ? 8 SER A O 1
357
+ ATOM 61 C CB . SER A 1 8 ? -1.013 12.313 -4.333 0.51 21.58 ? 8 SER A CB 1
358
+ ATOM 62 O OG . SER A 1 8 ? -1.090 13.038 -5.550 0.51 17.58 ? 8 SER A OG 1
359
+ ATOM 63 N N . SER A 1 9 ? 2.269 13.317 -4.795 1.00 17.98 ? 9 SER A N 1
360
+ ATOM 64 C CA . SER A 1 9 ? 3.230 14.406 -4.750 1.00 15.95 ? 9 SER A CA 1
361
+ ATOM 65 C C . SER A 1 9 ? 3.970 14.465 -6.068 1.00 19.74 ? 9 SER A C 1
362
+ ATOM 66 O O . SER A 1 9 ? 4.223 13.433 -6.679 1.00 22.75 ? 9 SER A O 1
363
+ ATOM 67 C CB . SER A 1 9 ? 4.231 14.216 -3.595 1.00 15.57 ? 9 SER A CB 1
364
+ ATOM 68 O OG . SER A 1 9 ? 5.306 15.129 -3.714 1.00 18.25 ? 9 SER A OG 1
365
+ ATOM 69 N N . SER A 1 10 ? 4.351 15.663 -6.487 1.00 20.13 ? 10 SER A N 1
366
+ ATOM 70 C CA . SER A 1 10 ? 5.105 15.804 -7.722 1.00 23.41 ? 10 SER A CA 1
367
+ ATOM 71 C C . SER A 1 10 ? 6.551 15.340 -7.532 1.00 29.28 ? 10 SER A C 1
368
+ ATOM 72 O O . SER A 1 10 ? 7.270 15.111 -8.502 1.00 30.50 ? 10 SER A O 1
369
+ ATOM 73 C CB . SER A 1 10 ? 5.065 17.250 -8.216 1.00 21.46 ? 10 SER A CB 1
370
+ ATOM 74 O OG . SER A 1 10 ? 5.771 18.129 -7.359 1.00 27.04 ? 10 SER A OG 1
371
+ ATOM 75 N N . ARG A 1 11 ? 6.978 15.187 -6.284 1.00 21.04 ? 11 ARG A N 1
372
+ ATOM 76 C CA . ARG A 1 11 ? 8.376 14.854 -6.031 1.00 18.45 ? 11 ARG A CA 1
373
+ ATOM 77 C C . ARG A 1 11 ? 8.571 13.565 -5.256 1.00 18.40 ? 11 ARG A C 1
374
+ ATOM 78 O O . ARG A 1 11 ? 9.633 12.944 -5.328 1.00 19.33 ? 11 ARG A O 1
375
+ ATOM 79 C CB . ARG A 1 11 ? 9.041 16.000 -5.285 1.00 20.74 ? 11 ARG A CB 1
376
+ ATOM 80 C CG . ARG A 1 11 ? 9.068 17.279 -6.097 1.00 27.87 ? 11 ARG A CG 1
377
+ ATOM 81 C CD . ARG A 1 11 ? 9.275 18.451 -5.220 1.00 23.14 ? 11 ARG A CD 1
378
+ ATOM 82 N NE . ARG A 1 11 ? 10.562 18.387 -4.529 1.00 22.93 ? 11 ARG A NE 1
379
+ ATOM 83 C CZ . ARG A 1 11 ? 10.925 19.260 -3.600 1.00 30.50 ? 11 ARG A CZ 1
380
+ ATOM 84 N NH1 . ARG A 1 11 ? 10.089 20.232 -3.268 1.00 33.84 ? 11 ARG A NH1 1
381
+ ATOM 85 N NH2 . ARG A 1 11 ? 12.106 19.158 -2.993 1.00 29.99 ? 11 ARG A NH2 1
382
+ ATOM 86 N N . ILE A 1 12 ? 7.550 13.165 -4.508 1.00 14.87 ? 12 ILE A N 1
383
+ ATOM 87 C CA . ILE A 1 12 ? 7.679 12.034 -3.599 1.00 12.22 ? 12 ILE A CA 1
384
+ ATOM 88 C C . ILE A 1 12 ? 6.664 10.952 -3.929 1.00 13.31 ? 12 ILE A C 1
385
+ ATOM 89 O O . ILE A 1 12 ? 5.490 11.239 -4.160 1.00 15.57 ? 12 ILE A O 1
386
+ ATOM 90 C CB . ILE A 1 12 ? 7.523 12.507 -2.135 1.00 13.57 ? 12 ILE A CB 1
387
+ ATOM 91 C CG1 . ILE A 1 12 ? 8.684 13.451 -1.790 1.00 8.81 ? 12 ILE A CG1 1
388
+ ATOM 92 C CG2 . ILE A 1 12 ? 7.469 11.309 -1.169 1.00 14.15 ? 12 ILE A CG2 1
389
+ ATOM 93 C CD1 . ILE A 1 12 ? 8.513 14.272 -0.502 1.00 11.14 ? 12 ILE A CD1 1
390
+ ATOM 94 N N . LEU A 1 13 ? 7.119 9.704 -3.968 1.00 13.67 ? 13 LEU A N 1
391
+ ATOM 95 C CA . LEU A 1 13 ? 6.238 8.580 -4.285 1.00 12.14 ? 13 LEU A CA 1
392
+ ATOM 96 C C . LEU A 1 13 ? 5.659 7.877 -3.056 1.00 12.58 ? 13 LEU A C 1
393
+ ATOM 97 O O . LEU A 1 13 ? 4.491 7.486 -3.048 1.00 14.85 ? 13 LEU A O 1
394
+ ATOM 98 C CB . LEU A 1 13 ? 6.984 7.559 -5.145 1.00 15.02 ? 13 LEU A CB 1
395
+ ATOM 99 C CG . LEU A 1 13 ? 7.370 7.994 -6.558 1.00 23.95 ? 13 LEU A CG 1
396
+ ATOM 100 C CD1 . LEU A 1 13 ? 8.261 6.946 -7.181 1.00 31.74 ? 13 LEU A CD1 1
397
+ ATOM 101 C CD2 . LEU A 1 13 ? 6.124 8.192 -7.409 1.00 28.96 ? 13 LEU A CD2 1
398
+ ATOM 102 N N . SER A 1 14 ? 6.471 7.710 -2.014 1.00 12.19 ? 14 SER A N 1
399
+ ATOM 103 C CA . SER A 1 14 ? 6.025 7.016 -0.812 1.00 11.29 ? 14 SER A CA 1
400
+ ATOM 104 C C . SER A 1 14 ? 6.886 7.386 0.398 1.00 11.89 ? 14 SER A C 1
401
+ ATOM 105 O O . SER A 1 14 ? 8.024 7.810 0.251 1.00 11.33 ? 14 SER A O 1
402
+ ATOM 106 C CB . SER A 1 14 ? 6.046 5.488 -0.997 1.00 16.61 ? 14 SER A CB 1
403
+ ATOM 107 O OG . SER A 1 14 ? 7.363 5.010 -1.246 1.00 19.59 ? 14 SER A OG 1
404
+ ATOM 108 N N . ILE A 1 15 ? 6.311 7.215 1.583 1.00 11.54 ? 15 ILE A N 1
405
+ ATOM 109 C CA . ILE A 1 15 ? 6.937 7.620 2.839 1.00 11.55 ? 15 ILE A CA 1
406
+ ATOM 110 C C . ILE A 1 15 ? 6.689 6.555 3.865 1.00 13.44 ? 15 ILE A C 1
407
+ ATOM 111 O O . ILE A 1 15 ? 5.548 6.129 4.032 1.00 12.76 ? 15 ILE A O 1
408
+ ATOM 112 C CB . ILE A 1 15 ? 6.372 8.951 3.369 1.00 7.64 ? 15 ILE A CB 1
409
+ ATOM 113 C CG1 . ILE A 1 15 ? 6.612 10.086 2.379 1.00 10.29 ? 15 ILE A CG1 1
410
+ ATOM 114 C CG2 . ILE A 1 15 ? 7.005 9.319 4.720 1.00 8.83 ? 15 ILE A CG2 1
411
+ ATOM 115 C CD1 . ILE A 1 15 ? 5.859 11.360 2.741 1.00 9.71 ? 15 ILE A CD1 1
412
+ ATOM 116 N N . GLY A 1 16 ? 7.742 6.133 4.564 1.00 11.16 ? 16 GLY A N 1
413
+ ATOM 117 C CA . GLY A 1 16 ? 7.584 5.188 5.657 1.00 11.86 ? 16 GLY A CA 1
414
+ ATOM 118 C C . GLY A 1 16 ? 8.247 5.687 6.927 1.00 11.02 ? 16 GLY A C 1
415
+ ATOM 119 O O . GLY A 1 16 ? 9.114 6.547 6.872 1.00 12.92 ? 16 GLY A O 1
416
+ ATOM 120 N N . TYR A 1 17 ? 7.825 5.160 8.072 1.00 11.98 ? 17 TYR A N 1
417
+ ATOM 121 C CA . TYR A 1 17 ? 8.422 5.562 9.332 1.00 10.95 ? 17 TYR A CA 1
418
+ ATOM 122 C C . TYR A 1 17 ? 8.517 4.369 10.274 1.00 16.71 ? 17 TYR A C 1
419
+ ATOM 123 O O . TYR A 1 17 ? 7.571 3.584 10.410 1.00 14.15 ? 17 TYR A O 1
420
+ ATOM 124 C CB . TYR A 1 17 ? 7.626 6.692 9.973 1.00 16.61 ? 17 TYR A CB 1
421
+ ATOM 125 C CG . TYR A 1 17 ? 8.237 7.218 11.253 1.00 13.80 ? 17 TYR A CG 1
422
+ ATOM 126 C CD1 . TYR A 1 17 ? 9.384 8.004 11.231 1.00 13.42 ? 17 TYR A CD1 1
423
+ ATOM 127 C CD2 . TYR A 1 17 ? 7.674 6.923 12.482 1.00 18.74 ? 17 TYR A CD2 1
424
+ ATOM 128 C CE1 . TYR A 1 17 ? 9.954 8.483 12.418 1.00 15.85 ? 17 TYR A CE1 1
425
+ ATOM 129 C CE2 . TYR A 1 17 ? 8.227 7.409 13.669 1.00 19.87 ? 17 TYR A CE2 1
426
+ ATOM 130 C CZ . TYR A 1 17 ? 9.374 8.171 13.633 1.00 16.02 ? 17 TYR A CZ 1
427
+ ATOM 131 O OH . TYR A 1 17 ? 9.915 8.643 14.820 1.00 17.95 ? 17 TYR A OH 1
428
+ ATOM 132 N N . ASP A 1 18 ? 9.688 4.232 10.887 1.00 13.72 ? 18 ASP A N 1
429
+ ATOM 133 C CA . ASP A 1 18 ? 9.970 3.172 11.856 1.00 21.81 ? 18 ASP A CA 1
430
+ ATOM 134 C C . ASP A 1 18 ? 10.074 3.815 13.229 1.00 23.28 ? 18 ASP A C 1
431
+ ATOM 135 O O . ASP A 1 18 ? 11.085 4.432 13.547 1.00 22.64 ? 18 ASP A O 1
432
+ ATOM 136 C CB . ASP A 1 18 ? 11.268 2.455 11.458 1.00 20.74 ? 18 ASP A CB 1
433
+ ATOM 137 C CG . ASP A 1 18 ? 11.638 1.313 12.385 1.00 29.39 ? 18 ASP A CG 1
434
+ ATOM 138 O OD1 . ASP A 1 18 ? 10.957 1.083 13.407 1.00 35.40 ? 18 ASP A OD1 1
435
+ ATOM 139 O OD2 . ASP A 1 18 ? 12.644 0.652 12.074 1.00 31.27 ? 18 ASP A OD2 1
436
+ ATOM 140 N N . PRO A 1 19 ? 9.013 3.705 14.041 1.00 23.82 ? 19 PRO A N 1
437
+ ATOM 141 C CA . PRO A 1 19 ? 8.998 4.409 15.326 1.00 24.34 ? 19 PRO A CA 1
438
+ ATOM 142 C C . PRO A 1 19 ? 10.070 3.903 16.284 1.00 27.42 ? 19 PRO A C 1
439
+ ATOM 143 O O . PRO A 1 19 ? 10.515 4.659 17.140 1.00 30.79 ? 19 PRO A O 1
440
+ ATOM 144 C CB . PRO A 1 19 ? 7.596 4.118 15.863 1.00 31.03 ? 19 PRO A CB 1
441
+ ATOM 145 C CG . PRO A 1 19 ? 7.219 2.841 15.219 1.00 32.57 ? 19 PRO A CG 1
442
+ ATOM 146 C CD . PRO A 1 19 ? 7.816 2.869 13.853 1.00 25.18 ? 19 PRO A CD 1
443
+ ATOM 147 N N . ASP A 1 20 ? 10.489 2.653 16.127 1.00 28.89 ? 20 ASP A N 1
444
+ ATOM 148 C CA . ASP A 1 20 ? 11.489 2.077 17.014 1.00 33.56 ? 20 ASP A CA 1
445
+ ATOM 149 C C . ASP A 1 20 ? 12.872 2.689 16.802 1.00 33.95 ? 20 ASP A C 1
446
+ ATOM 150 O O . ASP A 1 20 ? 13.538 3.064 17.764 1.00 32.07 ? 20 ASP A O 1
447
+ ATOM 151 C CB . ASP A 1 20 ? 11.551 0.562 16.827 1.00 45.84 ? 20 ASP A CB 1
448
+ ATOM 152 C CG . ASP A 1 20 ? 10.246 -0.122 17.199 1.00 63.34 ? 20 ASP A CG 1
449
+ ATOM 153 O OD1 . ASP A 1 20 ? 9.508 0.422 18.054 1.00 60.91 ? 20 ASP A OD1 1
450
+ ATOM 154 O OD2 . ASP A 1 20 ? 9.959 -1.201 16.635 1.00 72.15 ? 20 ASP A OD2 1
451
+ ATOM 155 N N . ASN A 1 21 ? 13.294 2.796 15.547 1.00 24.92 ? 21 ASN A N 1
452
+ ATOM 156 C CA . ASN A 1 21 ? 14.606 3.340 15.225 1.00 21.17 ? 21 ASN A CA 1
453
+ ATOM 157 C C . ASN A 1 21 ? 14.557 4.837 14.942 1.00 15.96 ? 21 ASN A C 1
454
+ ATOM 158 O O . ASN A 1 21 ? 15.579 5.447 14.635 1.00 22.90 ? 21 ASN A O 1
455
+ ATOM 159 C CB . ASN A 1 21 ? 15.200 2.610 14.019 1.00 28.90 ? 21 ASN A CB 1
456
+ ATOM 160 C CG . ASN A 1 21 ? 15.111 1.102 14.145 1.00 43.81 ? 21 ASN A CG 1
457
+ ATOM 161 O OD1 . ASN A 1 21 ? 15.041 0.568 15.249 1.00 47.98 ? 21 ASN A OD1 1
458
+ ATOM 162 N ND2 . ASN A 1 21 ? 15.108 0.407 13.011 1.00 49.43 ? 21 ASN A ND2 1
459
+ ATOM 163 N N . ARG A 1 22 ? 13.364 5.418 15.046 1.00 17.27 ? 22 ARG A N 1
460
+ ATOM 164 C CA . ARG A 1 22 ? 13.130 6.825 14.707 1.00 21.28 ? 22 ARG A CA 1
461
+ ATOM 165 C C . ARG A 1 22 ? 13.667 7.156 13.321 1.00 17.52 ? 22 ARG A C 1
462
+ ATOM 166 O O . ARG A 1 22 ? 14.345 8.166 13.117 1.00 14.62 ? 22 ARG A O 1
463
+ ATOM 167 C CB . ARG A 1 22 ? 13.764 7.750 15.739 1.00 17.60 ? 22 ARG A CB 1
464
+ ATOM 168 C CG . ARG A 1 22 ? 13.563 7.324 17.187 1.00 25.60 ? 22 ARG A CG 1
465
+ ATOM 169 C CD . ARG A 1 22 ? 12.123 7.300 17.644 1.00 31.29 ? 22 ARG A CD 1
466
+ ATOM 170 N NE . ARG A 1 22 ? 12.030 7.370 19.108 1.00 42.26 ? 22 ARG A NE 1
467
+ ATOM 171 C CZ . ARG A 1 22 ? 12.344 6.379 19.944 1.00 47.10 ? 22 ARG A CZ 1
468
+ ATOM 172 N NH1 . ARG A 1 22 ? 12.777 5.215 19.480 1.00 52.08 ? 22 ARG A NH1 1
469
+ ATOM 173 N NH2 . ARG A 1 22 ? 12.228 6.551 21.256 1.00 41.35 ? 22 ARG A NH2 1
470
+ ATOM 174 N N . MET A 1 23 ? 13.323 6.303 12.366 0.68 12.61 ? 23 MET A N 1
471
+ ATOM 175 C CA . MET A 1 23 ? 13.843 6.420 11.013 0.68 12.52 ? 23 MET A CA 1
472
+ ATOM 176 C C . MET A 1 23 ? 12.743 6.704 10.010 0.68 12.55 ? 23 MET A C 1
473
+ ATOM 177 O O . MET A 1 23 ? 11.692 6.066 10.053 0.68 13.27 ? 23 MET A O 1
474
+ ATOM 178 C CB . MET A 1 23 ? 14.582 5.141 10.650 0.68 13.71 ? 23 MET A CB 1
475
+ ATOM 179 C CG . MET A 1 23 ? 15.277 5.152 9.304 0.68 24.64 ? 23 MET A CG 1
476
+ ATOM 180 S SD . MET A 1 23 ? 16.481 3.638 9.260 0.70 55.31 ? 23 MET A SD 1
477
+ ATOM 181 C CE . MET A 1 23 ? 15.165 2.215 9.004 0.68 53.25 ? 23 MET A CE 1
478
+ ATOM 182 N N . LEU A 1 24 ? 12.976 7.681 9.132 1.00 9.54 ? 24 LEU A N 1
479
+ ATOM 183 C CA . LEU A 1 24 ? 12.011 8.087 8.128 1.00 8.59 ? 24 LEU A CA 1
480
+ ATOM 184 C C . LEU A 1 24 ? 12.534 7.674 6.767 1.00 11.77 ? 24 LEU A C 1
481
+ ATOM 185 O O . LEU A 1 24 ? 13.683 7.937 6.466 1.00 14.67 ? 24 LEU A O 1
482
+ ATOM 186 C CB . LEU A 1 24 ? 11.816 9.597 8.169 1.00 8.72 ? 24 LEU A CB 1
483
+ ATOM 187 C CG . LEU A 1 24 ? 10.874 10.217 7.155 1.00 9.57 ? 24 LEU A CG 1
484
+ ATOM 188 C CD1 . LEU A 1 24 ? 9.425 9.956 7.544 1.00 12.50 ? 24 LEU A CD1 1
485
+ ATOM 189 C CD2 . LEU A 1 24 ? 11.152 11.681 7.128 1.00 10.31 ? 24 LEU A CD2 1
486
+ ATOM 190 N N . GLU A 1 25 ? 11.709 7.025 5.947 1.00 10.41 ? 25 GLU A N 1
487
+ ATOM 191 C CA . GLU A 1 25 ? 12.172 6.601 4.630 1.00 10.44 ? 25 GLU A CA 1
488
+ ATOM 192 C C . GLU A 1 25 ? 11.348 7.298 3.562 1.00 15.77 ? 25 GLU A C 1
489
+ ATOM 193 O O . GLU A 1 25 ? 10.120 7.266 3.596 1.00 12.65 ? 25 GLU A O 1
490
+ ATOM 194 C CB . GLU A 1 25 ? 12.083 5.081 4.488 1.00 12.78 ? 25 GLU A CB 1
491
+ ATOM 195 C CG . GLU A 1 25 ? 12.851 4.516 3.312 1.00 18.17 ? 25 GLU A CG 1
492
+ ATOM 196 C CD . GLU A 1 25 ? 12.954 2.992 3.382 1.00 25.77 ? 25 GLU A CD 1
493
+ ATOM 197 O OE1 . GLU A 1 25 ? 13.837 2.476 4.095 1.00 26.34 ? 25 GLU A OE1 1
494
+ ATOM 198 O OE2 . GLU A 1 25 ? 12.123 2.323 2.750 1.00 24.93 ? 25 GLU A OE2 1
495
+ ATOM 199 N N . ILE A 1 26 ? 12.030 7.945 2.626 1.00 9.50 ? 26 ILE A N 1
496
+ ATOM 200 C CA . ILE A 1 26 ? 11.347 8.708 1.593 1.00 8.91 ? 26 ILE A CA 1
497
+ ATOM 201 C C . ILE A 1 26 ? 11.762 8.179 0.227 1.00 10.56 ? 26 ILE A C 1
498
+ ATOM 202 O O . ILE A 1 26 ? 12.943 8.145 -0.080 1.00 12.16 ? 26 ILE A O 1
499
+ ATOM 203 C CB . ILE A 1 26 ? 11.684 10.200 1.656 1.00 7.85 ? 26 ILE A CB 1
500
+ ATOM 204 C CG1 . ILE A 1 26 ? 11.400 10.761 3.054 1.00 6.86 ? 26 ILE A CG1 1
501
+ ATOM 205 C CG2 . ILE A 1 26 ? 10.867 10.952 0.591 1.00 10.01 ? 26 ILE A CG2 1
502
+ ATOM 206 C CD1 . ILE A 1 26 ? 11.682 12.244 3.169 1.00 8.99 ? 26 ILE A CD1 1
503
+ ATOM 207 N N . GLN A 1 27 ? 10.797 7.758 -0.579 1.00 11.20 ? 27 GLN A N 1
504
+ ATOM 208 C CA . GLN A 1 27 ? 11.104 7.390 -1.950 1.00 12.67 ? 27 GLN A CA 1
505
+ ATOM 209 C C . GLN A 1 27 ? 10.749 8.548 -2.890 1.00 12.43 ? 27 GLN A C 1
506
+ ATOM 210 O O . GLN A 1 27 ? 9.589 8.931 -2.995 1.00 17.46 ? 27 GLN A O 1
507
+ ATOM 211 C CB . GLN A 1 27 ? 10.351 6.123 -2.327 1.00 13.77 ? 27 GLN A CB 1
508
+ ATOM 212 C CG . GLN A 1 27 ? 10.482 5.743 -3.784 1.00 15.55 ? 27 GLN A CG 1
509
+ ATOM 213 C CD . GLN A 1 27 ? 9.688 4.513 -4.109 1.00 21.33 ? 27 GLN A CD 1
510
+ ATOM 214 O OE1 . GLN A 1 27 ? 8.620 4.274 -3.542 1.00 19.61 ? 27 GLN A OE1 1
511
+ ATOM 215 N NE2 . GLN A 1 27 ? 10.204 3.714 -5.038 1.00 24.31 ? 27 GLN A NE2 1
512
+ ATOM 216 N N . PHE A 1 28 ? 11.754 9.115 -3.547 1.00 15.11 ? 28 PHE A N 1
513
+ ATOM 217 C CA . PHE A 1 28 ? 11.557 10.245 -4.455 1.00 16.79 ? 28 PHE A CA 1
514
+ ATOM 218 C C . PHE A 1 28 ? 11.267 9.787 -5.893 1.00 23.87 ? 28 PHE A C 1
515
+ ATOM 219 O O . PHE A 1 28 ? 11.665 8.701 -6.295 1.00 26.36 ? 28 PHE A O 1
516
+ ATOM 220 C CB . PHE A 1 28 ? 12.788 11.150 -4.443 1.00 17.74 ? 28 PHE A CB 1
517
+ ATOM 221 C CG . PHE A 1 28 ? 13.059 11.787 -3.112 1.00 14.60 ? 28 PHE A CG 1
518
+ ATOM 222 C CD1 . PHE A 1 28 ? 13.927 11.204 -2.208 1.00 12.64 ? 28 PHE A CD1 1
519
+ ATOM 223 C CD2 . PHE A 1 28 ? 12.450 12.978 -2.773 1.00 16.36 ? 28 PHE A CD2 1
520
+ ATOM 224 C CE1 . PHE A 1 28 ? 14.170 11.804 -0.985 1.00 15.61 ? 28 PHE A CE1 1
521
+ ATOM 225 C CE2 . PHE A 1 28 ? 12.683 13.570 -1.562 1.00 12.37 ? 28 PHE A CE2 1
522
+ ATOM 226 C CZ . PHE A 1 28 ? 13.538 12.986 -0.665 1.00 13.96 ? 28 PHE A CZ 1
523
+ ATOM 227 N N . ARG A 1 29 ? 10.581 10.621 -6.668 1.00 20.81 ? 29 ARG A N 1
524
+ ATOM 228 C CA . ARG A 1 29 ? 10.244 10.254 -8.042 1.00 28.90 ? 29 ARG A CA 1
525
+ ATOM 229 C C . ARG A 1 29 ? 11.465 9.955 -8.910 1.00 35.92 ? 29 ARG A C 1
526
+ ATOM 230 O O . ARG A 1 29 ? 11.571 8.866 -9.487 1.00 43.62 ? 29 ARG A O 1
527
+ ATOM 231 C CB . ARG A 1 29 ? 9.424 11.358 -8.704 1.00 31.83 ? 29 ARG A CB 1
528
+ ATOM 232 C CG . ARG A 1 29 ? 8.005 11.424 -8.208 1.00 33.52 ? 29 ARG A CG 1
529
+ ATOM 233 C CD . ARG A 1 29 ? 7.076 11.950 -9.274 1.00 32.36 ? 29 ARG A CD 1
530
+ ATOM 234 N NE . ARG A 1 29 ? 5.695 11.885 -8.817 1.00 32.55 ? 29 ARG A NE 1
531
+ ATOM 235 C CZ . ARG A 1 29 ? 4.818 10.974 -9.215 1.00 35.95 ? 29 ARG A CZ 1
532
+ ATOM 236 N NH1 . ARG A 1 29 ? 5.171 10.047 -10.097 1.00 34.39 ? 29 ARG A NH1 1
533
+ ATOM 237 N NH2 . ARG A 1 29 ? 3.581 10.997 -8.737 1.00 44.00 ? 29 ARG A NH2 1
534
+ ATOM 238 N N . GLU A 1 30 ? 12.374 10.925 -8.992 1.00 38.43 ? 30 GLU A N 1
535
+ ATOM 239 C CA . GLU A 1 30 ? 13.537 10.855 -9.881 1.00 35.05 ? 30 GLU A CA 1
536
+ ATOM 240 C C . GLU A 1 30 ? 14.817 10.431 -9.140 1.00 26.90 ? 30 GLU A C 1
537
+ ATOM 241 O O . GLU A 1 30 ? 15.721 9.851 -9.739 1.00 39.93 ? 30 GLU A O 1
538
+ ATOM 242 C CB . GLU A 1 30 ? 13.738 12.220 -10.596 1.00 35.78 ? 30 GLU A CB 1
539
+ ATOM 243 C CG . GLU A 1 30 ? 15.207 12.697 -10.762 1.00 60.36 ? 30 GLU A CG 1
540
+ ATOM 244 C CD . GLU A 1 30 ? 15.375 14.029 -11.529 1.00 51.92 ? 30 GLU A CD 1
541
+ ATOM 245 O OE1 . GLU A 1 30 ? 15.964 14.014 -12.631 1.00 46.58 ? 30 GLU A OE1 1
542
+ ATOM 246 O OE2 . GLU A 1 30 ? 14.953 15.091 -11.021 1.00 46.68 ? 30 GLU A OE2 1
543
+ ATOM 247 N N . GLN A 1 31 ? 14.894 10.680 -7.837 1.00 21.12 ? 31 GLN A N 1
544
+ ATOM 248 C CA . GLN A 1 31 ? 16.184 10.570 -7.164 1.00 20.91 ? 31 GLN A CA 1
545
+ ATOM 249 C C . GLN A 1 31 ? 16.368 9.389 -6.217 1.00 14.81 ? 31 GLN A C 1
546
+ ATOM 250 O O . GLN A 1 31 ? 17.336 9.357 -5.470 1.00 18.02 ? 31 GLN A O 1
547
+ ATOM 251 C CB . GLN A 1 31 ? 16.468 11.862 -6.395 1.00 29.89 ? 31 GLN A CB 1
548
+ ATOM 252 C CG . GLN A 1 31 ? 16.919 13.015 -7.289 1.00 39.93 ? 31 GLN A CG 1
549
+ ATOM 253 C CD . GLN A 1 31 ? 17.503 14.177 -6.506 1.00 40.85 ? 31 GLN A CD 1
550
+ ATOM 254 O OE1 . GLN A 1 31 ? 18.527 14.042 -5.822 1.00 39.02 ? 31 GLN A OE1 1
551
+ ATOM 255 N NE2 . GLN A 1 31 ? 16.850 15.326 -6.596 1.00 36.17 ? 31 GLN A NE2 1
552
+ ATOM 256 N N . GLY A 1 32 ? 15.481 8.403 -6.248 1.00 19.84 ? 32 GLY A N 1
553
+ ATOM 257 C CA . GLY A 1 32 ? 15.703 7.200 -5.457 1.00 14.97 ? 32 GLY A CA 1
554
+ ATOM 258 C C . GLY A 1 32 ? 15.178 7.250 -4.038 1.00 15.13 ? 32 GLY A C 1
555
+ ATOM 259 O O . GLY A 1 32 ? 14.335 8.077 -3.710 1.00 15.87 ? 32 GLY A O 1
556
+ ATOM 260 N N . THR A 1 33 ? 15.678 6.362 -3.187 1.00 13.72 ? 33 THR A N 1
557
+ ATOM 261 C CA . THR A 1 33 ? 15.150 6.237 -1.828 1.00 12.38 ? 33 THR A CA 1
558
+ ATOM 262 C C . THR A 1 33 ? 16.186 6.591 -0.766 1.00 11.18 ? 33 THR A C 1
559
+ ATOM 263 O O . THR A 1 33 ? 17.311 6.136 -0.823 1.00 12.86 ? 33 THR A O 1
560
+ ATOM 264 C CB . THR A 1 33 ? 14.617 4.810 -1.590 1.00 15.48 ? 33 THR A CB 1
561
+ ATOM 265 O OG1 . THR A 1 33 ? 13.619 4.527 -2.581 1.00 15.00 ? 33 THR A OG1 1
562
+ ATOM 266 C CG2 . THR A 1 33 ? 13.991 4.677 -0.220 1.00 18.48 ? 33 THR A CG2 1
563
+ ATOM 267 N N . TYR A 1 34 ? 15.789 7.436 0.184 1.00 10.20 ? 34 TYR A N 1
564
+ ATOM 268 C CA . TYR A 1 34 ? 16.671 7.866 1.272 1.00 9.82 ? 34 TYR A CA 1
565
+ ATOM 269 C C . TYR A 1 34 ? 16.084 7.558 2.633 1.00 10.15 ? 34 TYR A C 1
566
+ ATOM 270 O O . TYR A 1 34 ? 14.871 7.626 2.802 1.00 11.92 ? 34 TYR A O 1
567
+ ATOM 271 C CB . TYR A 1 34 ? 16.915 9.372 1.202 1.00 9.79 ? 34 TYR A CB 1
568
+ ATOM 272 C CG . TYR A 1 34 ? 17.827 9.808 0.091 1.00 13.27 ? 34 TYR A CG 1
569
+ ATOM 273 C CD1 . TYR A 1 34 ? 17.424 9.741 -1.226 1.00 10.75 ? 34 TYR A CD1 1
570
+ ATOM 274 C CD2 . TYR A 1 34 ? 19.092 10.309 0.363 1.00 15.28 ? 34 TYR A CD2 1
571
+ ATOM 275 C CE1 . TYR A 1 34 ? 18.252 10.144 -2.242 1.00 11.55 ? 34 TYR A CE1 1
572
+ ATOM 276 C CE2 . TYR A 1 34 ? 19.936 10.697 -0.654 1.00 12.76 ? 34 TYR A CE2 1
573
+ ATOM 277 C CZ . TYR A 1 34 ? 19.511 10.620 -1.947 1.00 12.99 ? 34 TYR A CZ 1
574
+ ATOM 278 O OH . TYR A 1 34 ? 20.350 11.010 -2.966 1.00 13.63 ? 34 TYR A OH 1
575
+ ATOM 279 N N . GLN A 1 35 ? 16.949 7.271 3.606 1.00 10.55 ? 35 GLN A N 1
576
+ ATOM 280 C CA . GLN A 1 35 ? 16.557 7.174 4.996 1.00 9.75 ? 35 GLN A CA 1
577
+ ATOM 281 C C . GLN A 1 35 ? 17.069 8.377 5.761 1.00 11.62 ? 35 GLN A C 1
578
+ ATOM 282 O O . GLN A 1 35 ? 18.212 8.781 5.566 1.00 13.40 ? 35 GLN A O 1
579
+ ATOM 283 C CB . GLN A 1 35 ? 17.098 5.887 5.625 1.00 12.85 ? 35 GLN A CB 1
580
+ ATOM 284 C CG . GLN A 1 35 ? 16.506 4.649 5.001 1.00 17.83 ? 35 GLN A CG 1
581
+ ATOM 285 C CD . GLN A 1 35 ? 17.117 3.391 5.557 1.00 28.90 ? 35 GLN A CD 1
582
+ ATOM 286 O OE1 . GLN A 1 35 ? 18.243 3.411 6.042 1.00 26.93 ? 35 GLN A OE1 1
583
+ ATOM 287 N NE2 . GLN A 1 35 ? 16.378 2.291 5.500 1.00 29.30 ? 35 GLN A NE2 1
584
+ ATOM 288 N N . TYR A 1 36 ? 16.224 8.919 6.637 1.00 11.85 ? 36 TYR A N 1
585
+ ATOM 289 C CA . TYR A 1 36 ? 16.561 10.056 7.485 1.00 10.96 ? 36 TYR A CA 1
586
+ ATOM 290 C C . TYR A 1 36 ? 16.557 9.570 8.918 1.00 10.49 ? 36 TYR A C 1
587
+ ATOM 291 O O . TYR A 1 36 ? 15.601 8.938 9.357 1.00 9.95 ? 36 TYR A O 1
588
+ ATOM 292 C CB . TYR A 1 36 ? 15.568 11.207 7.302 1.00 8.46 ? 36 TYR A CB 1
589
+ ATOM 293 C CG . TYR A 1 36 ? 15.738 11.881 5.962 1.00 10.74 ? 36 TYR A CG 1
590
+ ATOM 294 C CD1 . TYR A 1 36 ? 16.513 13.026 5.845 1.00 12.56 ? 36 TYR A CD1 1
591
+ ATOM 295 C CD2 . TYR A 1 36 ? 15.181 11.338 4.810 1.00 14.68 ? 36 TYR A CD2 1
592
+ ATOM 296 C CE1 . TYR A 1 36 ? 16.705 13.644 4.609 1.00 17.38 ? 36 TYR A CE1 1
593
+ ATOM 297 C CE2 . TYR A 1 36 ? 15.369 11.946 3.567 1.00 10.85 ? 36 TYR A CE2 1
594
+ ATOM 298 C CZ . TYR A 1 36 ? 16.132 13.094 3.479 1.00 16.49 ? 36 TYR A CZ 1
595
+ ATOM 299 O OH . TYR A 1 36 ? 16.321 13.707 2.257 1.00 23.35 ? 36 TYR A OH 1
596
+ ATOM 300 N N . LEU A 1 37 ? 17.627 9.853 9.644 1.00 9.86 ? 37 LEU A N 1
597
+ ATOM 301 C CA . LEU A 1 37 ? 17.827 9.225 10.940 1.00 9.94 ? 37 LEU A CA 1
598
+ ATOM 302 C C . LEU A 1 37 ? 17.511 10.188 12.048 1.00 13.06 ? 37 LEU A C 1
599
+ ATOM 303 O O . LEU A 1 37 ? 17.790 11.369 11.939 1.00 14.04 ? 37 LEU A O 1
600
+ ATOM 304 C CB . LEU A 1 37 ? 19.263 8.726 11.081 1.00 13.30 ? 37 LEU A CB 1
601
+ ATOM 305 C CG . LEU A 1 37 ? 19.734 7.801 9.975 1.00 22.77 ? 37 LEU A CG 1
602
+ ATOM 306 C CD1 . LEU A 1 37 ? 21.134 7.343 10.290 1.00 20.36 ? 37 LEU A CD1 1
603
+ ATOM 307 C CD2 . LEU A 1 37 ? 18.814 6.629 9.909 1.00 23.47 ? 37 LEU A CD2 1
604
+ ATOM 308 N N . GLY A 1 38 ? 16.910 9.683 13.113 1.00 10.88 ? 38 GLY A N 1
605
+ ATOM 309 C CA . GLY A 1 38 ? 16.668 10.493 14.285 1.00 15.93 ? 38 GLY A CA 1
606
+ ATOM 310 C C . GLY A 1 38 ? 15.524 11.459 14.094 1.00 14.37 ? 38 GLY A C 1
607
+ ATOM 311 O O . GLY A 1 38 ? 15.575 12.575 14.571 1.00 14.15 ? 38 GLY A O 1
608
+ ATOM 312 N N . VAL A 1 39 ? 14.488 11.004 13.401 1.00 12.59 ? 39 VAL A N 1
609
+ ATOM 313 C CA . VAL A 1 39 ? 13.302 11.802 13.125 1.00 10.59 ? 39 VAL A CA 1
610
+ ATOM 314 C C . VAL A 1 39 ? 12.210 11.471 14.129 1.00 13.32 ? 39 VAL A C 1
611
+ ATOM 315 O O . VAL A 1 39 ? 11.830 10.308 14.259 1.00 13.04 ? 39 VAL A O 1
612
+ ATOM 316 C CB . VAL A 1 39 ? 12.799 11.535 11.679 1.00 10.48 ? 39 VAL A CB 1
613
+ ATOM 317 C CG1 . VAL A 1 39 ? 11.545 12.317 11.378 1.00 12.25 ? 39 VAL A CG1 1
614
+ ATOM 318 C CG2 . VAL A 1 39 ? 13.891 11.889 10.691 1.00 8.69 ? 39 VAL A CG2 1
615
+ ATOM 319 N N . PRO A 1 40 ? 11.699 12.489 14.842 1.00 11.68 ? 40 PRO A N 1
616
+ ATOM 320 C CA . PRO A 1 40 ? 10.663 12.263 15.845 1.00 15.47 ? 40 PRO A CA 1
617
+ ATOM 321 C C . PRO A 1 40 ? 9.325 11.901 15.222 1.00 14.90 ? 40 PRO A C 1
618
+ ATOM 322 O O . PRO A 1 40 ? 9.019 12.311 14.110 1.00 15.10 ? 40 PRO A O 1
619
+ ATOM 323 C CB . PRO A 1 40 ? 10.576 13.607 16.572 1.00 14.85 ? 40 PRO A CB 1
620
+ ATOM 324 C CG . PRO A 1 40 ? 11.044 14.593 15.598 1.00 17.41 ? 40 PRO A CG 1
621
+ ATOM 325 C CD . PRO A 1 40 ? 12.100 13.902 14.782 1.00 10.27 ? 40 PRO A CD 1
622
+ ATOM 326 N N . GLU A 1 41 ? 8.528 11.131 15.948 1.00 14.73 ? 41 GLU A N 1
623
+ ATOM 327 C CA . GLU A 1 41 ? 7.265 10.659 15.402 1.00 19.47 ? 41 GLU A CA 1
624
+ ATOM 328 C C . GLU A 1 41 ? 6.336 11.815 15.030 1.00 15.80 ? 41 GLU A C 1
625
+ ATOM 329 O O . GLU A 1 41 ? 5.627 11.737 14.033 1.00 16.27 ? 41 GLU A O 1
626
+ ATOM 330 C CB . GLU A 1 41 ? 6.582 9.716 16.397 1.00 27.10 ? 41 GLU A CB 1
627
+ ATOM 331 C CG . GLU A 1 41 ? 5.278 9.124 15.886 1.00 35.79 ? 41 GLU A CG 1
628
+ ATOM 332 C CD . GLU A 1 41 ? 4.688 8.093 16.832 1.00 55.48 ? 41 GLU A CD 1
629
+ ATOM 333 O OE1 . GLU A 1 41 ? 5.367 7.727 17.815 1.00 64.53 ? 41 GLU A OE1 1
630
+ ATOM 334 O OE2 . GLU A 1 41 ? 3.545 7.648 16.591 1.00 61.99 ? 41 GLU A OE2 1
631
+ ATOM 335 N N . ARG A 1 42 ? 6.357 12.900 15.805 1.00 16.09 ? 42 ARG A N 1
632
+ ATOM 336 C CA . ARG A 1 42 ? 5.513 14.042 15.492 1.00 14.35 ? 42 ARG A CA 1
633
+ ATOM 337 C C . ARG A 1 42 ? 5.822 14.611 14.112 1.00 13.76 ? 42 ARG A C 1
634
+ ATOM 338 O O . ARG A 1 42 ? 4.922 15.049 13.412 1.00 13.54 ? 42 ARG A O 1
635
+ ATOM 339 C CB . ARG A 1 42 ? 5.665 15.125 16.554 1.00 21.96 ? 42 ARG A CB 1
636
+ ATOM 340 C CG . ARG A 1 42 ? 4.807 16.374 16.321 1.00 17.43 ? 42 ARG A CG 1
637
+ ATOM 341 C CD . ARG A 1 42 ? 3.317 16.035 16.191 1.00 19.54 ? 42 ARG A CD 1
638
+ ATOM 342 N NE . ARG A 1 42 ? 2.504 17.243 16.108 1.00 18.36 ? 42 ARG A NE 1
639
+ ATOM 343 C CZ . ARG A 1 42 ? 1.192 17.242 15.863 1.00 21.01 ? 42 ARG A CZ 1
640
+ ATOM 344 N NH1 . ARG A 1 42 ? 0.546 16.104 15.687 1.00 16.73 ? 42 ARG A NH1 1
641
+ ATOM 345 N NH2 . ARG A 1 42 ? 0.531 18.382 15.805 1.00 24.17 ? 42 ARG A NH2 1
642
+ ATOM 346 N N . ALA A 1 43 ? 7.097 14.586 13.720 1.00 14.01 ? 43 ALA A N 1
643
+ ATOM 347 C CA . ALA A 1 43 ? 7.512 15.072 12.406 1.00 12.80 ? 43 ALA A CA 1
644
+ ATOM 348 C C . ALA A 1 43 ? 6.887 14.236 11.326 1.00 10.82 ? 43 ALA A C 1
645
+ ATOM 349 O O . ALA A 1 43 ? 6.449 14.752 10.309 1.00 11.77 ? 43 ALA A O 1
646
+ ATOM 350 C CB . ALA A 1 43 ? 9.030 15.040 12.268 1.00 10.82 ? 43 ALA A CB 1
647
+ ATOM 351 N N . HIS A 1 44 ? 6.868 12.929 11.544 1.00 11.52 ? 44 HIS A N 1
648
+ ATOM 352 C CA . HIS A 1 44 ? 6.319 12.048 10.545 1.00 13.13 ? 44 HIS A CA 1
649
+ ATOM 353 C C . HIS A 1 44 ? 4.824 12.284 10.410 1.00 11.48 ? 44 HIS A C 1
650
+ ATOM 354 O O . HIS A 1 44 ? 4.311 12.331 9.312 1.00 12.79 ? 44 HIS A O 1
651
+ ATOM 355 C CB . HIS A 1 44 ? 6.591 10.594 10.886 1.00 10.10 ? 44 HIS A CB 1
652
+ ATOM 356 C CG . HIS A 1 44 ? 5.836 9.640 10.028 1.00 12.06 ? 44 HIS A CG 1
653
+ ATOM 357 N ND1 . HIS A 1 44 ? 4.871 8.792 10.528 1.00 15.02 ? 44 HIS A ND1 1
654
+ ATOM 358 C CD2 . HIS A 1 44 ? 5.883 9.413 8.690 1.00 15.09 ? 44 HIS A CD2 1
655
+ ATOM 359 C CE1 . HIS A 1 44 ? 4.368 8.075 9.537 1.00 15.30 ? 44 HIS A CE1 1
656
+ ATOM 360 N NE2 . HIS A 1 44 ? 4.953 8.438 8.411 1.00 14.20 ? 44 HIS A NE2 1
657
+ ATOM 361 N N . GLN A 1 45 ? 4.128 12.438 11.533 1.00 10.72 ? 45 GLN A N 1
658
+ ATOM 362 C CA . GLN A 1 45 ? 2.695 12.698 11.490 1.00 11.31 ? 45 GLN A CA 1
659
+ ATOM 363 C C . GLN A 1 45 ? 2.392 13.989 10.733 1.00 10.89 ? 45 GLN A C 1
660
+ ATOM 364 O O . GLN A 1 45 ? 1.522 14.011 9.877 1.00 14.86 ? 45 GLN A O 1
661
+ ATOM 365 C CB . GLN A 1 45 ? 2.119 12.766 12.905 1.00 17.18 ? 45 GLN A CB 1
662
+ ATOM 366 C CG . GLN A 1 45 ? 2.074 11.438 13.628 1.00 17.48 ? 45 GLN A CG 1
663
+ ATOM 367 C CD . GLN A 1 45 ? 1.600 11.624 15.045 1.00 28.63 ? 45 GLN A CD 1
664
+ ATOM 368 O OE1 . GLN A 1 45 ? 1.605 12.742 15.562 1.00 27.45 ? 45 GLN A OE1 1
665
+ ATOM 369 N NE2 . GLN A 1 45 ? 1.169 10.542 15.680 1.00 31.87 ? 45 GLN A NE2 1
666
+ ATOM 370 N N . ASN A 1 46 ? 3.121 15.059 11.031 1.00 10.48 ? 46 ASN A N 1
667
+ ATOM 371 C CA . ASN A 1 46 ? 2.934 16.319 10.313 1.00 10.28 ? 46 ASN A CA 1
668
+ ATOM 372 C C . ASN A 1 46 ? 3.258 16.227 8.816 1.00 12.34 ? 46 ASN A C 1
669
+ ATOM 373 O O . ASN A 1 46 ? 2.639 16.901 8.000 1.00 10.81 ? 46 ASN A O 1
670
+ ATOM 374 C CB . ASN A 1 46 ? 3.786 17.425 10.929 1.00 12.45 ? 46 ASN A CB 1
671
+ ATOM 375 C CG . ASN A 1 46 ? 3.286 17.853 12.290 1.00 15.76 ? 46 ASN A CG 1
672
+ ATOM 376 O OD1 . ASN A 1 46 ? 2.150 17.555 12.682 1.00 18.34 ? 46 ASN A OD1 1
673
+ ATOM 377 N ND2 . ASN A 1 46 ? 4.136 18.564 13.022 1.00 14.82 ? 46 ASN A ND2 1
674
+ ATOM 378 N N . PHE A 1 47 ? 4.249 15.418 8.479 1.00 11.36 ? 47 PHE A N 1
675
+ ATOM 379 C CA . PHE A 1 47 ? 4.616 15.138 7.092 1.00 9.71 ? 47 PHE A CA 1
676
+ ATOM 380 C C . PHE A 1 47 ? 3.428 14.538 6.367 1.00 9.69 ? 47 PHE A C 1
677
+ ATOM 381 O O . PHE A 1 47 ? 3.073 14.964 5.272 1.00 11.05 ? 47 PHE A O 1
678
+ ATOM 382 C CB . PHE A 1 47 ? 5.795 14.164 7.051 1.00 8.82 ? 47 PHE A CB 1
679
+ ATOM 383 C CG . PHE A 1 47 ? 6.594 14.159 5.749 1.00 8.61 ? 47 PHE A CG 1
680
+ ATOM 384 C CD1 . PHE A 1 47 ? 6.268 14.964 4.669 1.00 8.91 ? 47 PHE A CD1 1
681
+ ATOM 385 C CD2 . PHE A 1 47 ? 7.697 13.329 5.639 1.00 9.57 ? 47 PHE A CD2 1
682
+ ATOM 386 C CE1 . PHE A 1 47 ? 7.040 14.937 3.498 1.00 10.04 ? 47 PHE A CE1 1
683
+ ATOM 387 C CE2 . PHE A 1 47 ? 8.478 13.288 4.473 1.00 11.52 ? 47 PHE A CE2 1
684
+ ATOM 388 C CZ . PHE A 1 47 ? 8.136 14.092 3.392 1.00 8.62 ? 47 PHE A CZ 1
685
+ ATOM 389 N N . MET A 1 48 ? 2.800 13.552 6.993 1.00 10.10 ? 48 MET A N 1
686
+ ATOM 390 C CA . MET A 1 48 ? 1.702 12.837 6.346 1.00 11.54 ? 48 MET A CA 1
687
+ ATOM 391 C C . MET A 1 48 ? 0.466 13.719 6.203 1.00 13.83 ? 48 MET A C 1
688
+ ATOM 392 O O . MET A 1 48 ? -0.325 13.537 5.276 1.00 17.36 ? 48 MET A O 1
689
+ ATOM 393 C CB . MET A 1 48 ? 1.356 11.561 7.116 1.00 12.84 ? 48 MET A CB 1
690
+ ATOM 394 C CG . MET A 1 48 ? 2.479 10.530 7.139 1.00 14.16 ? 48 MET A CG 1
691
+ ATOM 395 S SD . MET A 1 48 ? 3.322 10.161 5.389 0.70 23.61 ? 48 MET A SD 1
692
+ ATOM 396 C CE . MET A 1 48 ? 1.899 9.172 4.510 1.00 21.86 ? 48 MET A CE 1
693
+ ATOM 397 N N . SER A 1 49 ? 0.313 14.687 7.102 1.00 11.30 ? 49 SER A N 1
694
+ ATOM 398 C CA . SER A 1 49 ? -0.838 15.588 7.052 1.00 14.59 ? 49 SER A CA 1
695
+ ATOM 399 C C . SER A 1 49 ? -0.629 16.832 6.219 1.00 14.29 ? 49 SER A C 1
696
+ ATOM 400 O O . SER A 1 49 ? -1.572 17.583 5.998 1.00 18.65 ? 49 SER A O 1
697
+ ATOM 401 C CB . SER A 1 49 ? -1.227 16.017 8.465 1.00 18.26 ? 49 SER A CB 1
698
+ ATOM 402 O OG . SER A 1 49 ? -1.553 14.885 9.234 1.00 34.48 ? 49 SER A OG 1
699
+ ATOM 403 N N . ALA A 1 50 ? 0.596 17.073 5.772 1.00 10.12 ? 50 ALA A N 1
700
+ ATOM 404 C CA . ALA A 1 50 ? 0.900 18.304 5.048 1.00 10.42 ? 50 ALA A CA 1
701
+ ATOM 405 C C . ALA A 1 50 ? 0.098 18.414 3.759 1.00 11.35 ? 50 ALA A C 1
702
+ ATOM 406 O O . ALA A 1 50 ? -0.125 17.417 3.069 1.00 15.24 ? 50 ALA A O 1
703
+ ATOM 407 C CB . ALA A 1 50 ? 2.390 18.379 4.724 1.00 10.73 ? 50 ALA A CB 1
704
+ ATOM 408 N N . VAL A 1 51 ? -0.313 19.635 3.444 1.00 12.19 ? 51 VAL A N 1
705
+ ATOM 409 C CA . VAL A 1 51 ? -0.921 19.955 2.164 1.00 17.27 ? 51 VAL A CA 1
706
+ ATOM 410 C C . VAL A 1 51 ? 0.012 19.567 1.006 1.00 19.30 ? 51 VAL A C 1
707
+ ATOM 411 O O . VAL A 1 51 ? -0.399 18.895 0.056 1.00 18.41 ? 51 VAL A O 1
708
+ ATOM 412 C CB . VAL A 1 51 ? -1.259 21.464 2.093 1.00 14.76 ? 51 VAL A CB 1
709
+ ATOM 413 C CG1 . VAL A 1 51 ? -1.584 21.880 0.678 1.00 14.44 ? 51 VAL A CG1 1
710
+ ATOM 414 C CG2 . VAL A 1 51 ? -2.391 21.803 3.033 1.00 16.93 ? 51 VAL A CG2 1
711
+ ATOM 415 N N . SER A 1 52 ? 1.272 19.987 1.108 1.00 12.05 ? 52 SER A N 1
712
+ ATOM 416 C CA . SER A 1 52 ? 2.302 19.704 0.109 1.00 14.26 ? 52 SER A CA 1
713
+ ATOM 417 C C . SER A 1 52 ? 3.457 18.898 0.701 1.00 11.09 ? 52 SER A C 1
714
+ ATOM 418 O O . SER A 1 52 ? 4.178 19.411 1.558 1.00 13.89 ? 52 SER A O 1
715
+ ATOM 419 C CB . SER A 1 52 ? 2.859 21.004 -0.466 1.00 12.83 ? 52 SER A CB 1
716
+ ATOM 420 O OG . SER A 1 52 ? 3.958 20.741 -1.334 1.00 16.79 ? 52 SER A OG 1
717
+ ATOM 421 N N . LYS A 1 53 ? 3.631 17.650 0.264 1.00 12.58 ? 53 LYS A N 1
718
+ ATOM 422 C CA . LYS A 1 53 ? 4.733 16.829 0.798 1.00 12.96 ? 53 LYS A CA 1
719
+ ATOM 423 C C . LYS A 1 53 ? 6.070 17.459 0.412 1.00 12.74 ? 53 LYS A C 1
720
+ ATOM 424 O O . LYS A 1 53 ? 7.032 17.441 1.185 1.00 12.30 ? 53 LYS A O 1
721
+ ATOM 425 C CB . LYS A 1 53 ? 4.654 15.382 0.281 1.00 13.23 ? 53 LYS A CB 1
722
+ ATOM 426 C CG . LYS A 1 53 ? 3.361 14.631 0.620 1.00 19.18 ? 53 LYS A CG 1
723
+ ATOM 427 C CD . LYS A 1 53 ? 3.221 14.381 2.105 1.00 20.76 ? 53 LYS A CD 1
724
+ ATOM 428 C CE . LYS A 1 53 ? 2.009 13.515 2.401 1.00 19.37 ? 53 LYS A CE 1
725
+ ATOM 429 N NZ . LYS A 1 53 ? 0.738 14.291 2.342 1.00 23.86 ? 53 LYS A NZ 1
726
+ ATOM 430 N N . GLY A 1 54 ? 6.139 18.009 -0.795 1.00 11.00 ? 54 GLY A N 1
727
+ ATOM 431 C CA . GLY A 1 54 ? 7.350 18.684 -1.222 1.00 13.79 ? 54 GLY A CA 1
728
+ ATOM 432 C C . GLY A 1 54 ? 7.733 19.869 -0.349 1.00 17.23 ? 54 GLY A C 1
729
+ ATOM 433 O O . GLY A 1 54 ? 8.890 20.012 0.048 1.00 13.10 ? 54 GLY A O 1
730
+ ATOM 434 N N . ARG A 1 55 ? 6.761 20.721 -0.041 1.00 15.25 ? 55 ARG A N 1
731
+ ATOM 435 C CA . ARG A 1 55 ? 7.025 21.896 0.775 1.00 12.18 ? 55 ARG A CA 1
732
+ ATOM 436 C C . ARG A 1 55 ? 7.450 21.500 2.166 1.00 11.21 ? 55 ARG A C 1
733
+ ATOM 437 O O . ARG A 1 55 ? 8.365 22.099 2.741 1.00 14.69 ? 55 ARG A O 1
734
+ ATOM 438 C CB . ARG A 1 55 ? 5.794 22.801 0.863 1.00 14.19 ? 55 ARG A CB 1
735
+ ATOM 439 C CG . ARG A 1 55 ? 6.026 24.020 1.762 1.00 14.49 ? 55 ARG A CG 1
736
+ ATOM 440 C CD . ARG A 1 55 ? 4.791 24.928 1.878 1.00 24.31 ? 55 ARG A CD 1
737
+ ATOM 441 N NE . ARG A 1 55 ? 4.941 25.900 2.962 1.00 26.64 ? 55 ARG A NE 1
738
+ ATOM 442 C CZ . ARG A 1 55 ? 5.455 27.113 2.803 1.00 36.14 ? 55 ARG A CZ 1
739
+ ATOM 443 N NH1 . ARG A 1 55 ? 5.861 27.516 1.601 1.00 40.09 ? 55 ARG A NH1 1
740
+ ATOM 444 N NH2 . ARG A 1 55 ? 5.561 27.927 3.847 1.00 42.88 ? 55 ARG A NH2 1
741
+ ATOM 445 N N . PHE A 1 56 ? 6.778 20.493 2.712 1.00 10.50 ? 56 PHE A N 1
742
+ ATOM 446 C CA . PHE A 1 56 ? 7.111 20.032 4.056 1.00 11.48 ? 56 PHE A CA 1
743
+ ATOM 447 C C . PHE A 1 56 ? 8.499 19.409 4.054 1.00 9.53 ? 56 PHE A C 1
744
+ ATOM 448 O O . PHE A 1 56 ? 9.296 19.671 4.941 1.00 10.65 ? 56 PHE A O 1
745
+ ATOM 449 C CB . PHE A 1 56 ? 6.086 19.032 4.583 1.00 13.85 ? 56 PHE A CB 1
746
+ ATOM 450 C CG . PHE A 1 56 ? 6.314 18.645 6.019 1.00 10.82 ? 56 PHE A CG 1
747
+ ATOM 451 C CD1 . PHE A 1 56 ? 7.205 17.637 6.350 1.00 13.17 ? 56 PHE A CD1 1
748
+ ATOM 452 C CD2 . PHE A 1 56 ? 5.646 19.298 7.027 1.00 10.84 ? 56 PHE A CD2 1
749
+ ATOM 453 C CE1 . PHE A 1 56 ? 7.428 17.290 7.661 1.00 15.90 ? 56 PHE A CE1 1
750
+ ATOM 454 C CE2 . PHE A 1 56 ? 5.864 18.953 8.346 1.00 15.78 ? 56 PHE A CE2 1
751
+ ATOM 455 C CZ . PHE A 1 56 ? 6.754 17.949 8.663 1.00 12.53 ? 56 PHE A CZ 1
752
+ ATOM 456 N N . PHE A 1 57 ? 8.796 18.589 3.053 1.00 9.43 ? 57 PHE A N 1
753
+ ATOM 457 C CA . PHE A 1 57 ? 10.138 18.031 2.963 1.00 10.58 ? 57 PHE A CA 1
754
+ ATOM 458 C C . PHE A 1 57 ? 11.175 19.148 2.923 1.00 13.28 ? 57 PHE A C 1
755
+ ATOM 459 O O . PHE A 1 57 ? 12.161 19.128 3.655 1.00 9.82 ? 57 PHE A O 1
756
+ ATOM 460 C CB . PHE A 1 57 ? 10.295 17.144 1.743 1.00 9.67 ? 57 PHE A CB 1
757
+ ATOM 461 C CG . PHE A 1 57 ? 11.705 16.728 1.496 1.00 11.38 ? 57 PHE A CG 1
758
+ ATOM 462 C CD1 . PHE A 1 57 ? 12.341 15.851 2.356 1.00 13.65 ? 57 PHE A CD1 1
759
+ ATOM 463 C CD2 . PHE A 1 57 ? 12.408 17.225 0.422 1.00 16.26 ? 57 PHE A CD2 1
760
+ ATOM 464 C CE1 . PHE A 1 57 ? 13.647 15.466 2.132 1.00 12.47 ? 57 PHE A CE1 1
761
+ ATOM 465 C CE2 . PHE A 1 57 ? 13.722 16.844 0.191 1.00 14.01 ? 57 PHE A CE2 1
762
+ ATOM 466 C CZ . PHE A 1 57 ? 14.345 15.971 1.041 1.00 14.55 ? 57 PHE A CZ 1
763
+ ATOM 467 N N . ASP A 1 58 ? 10.948 20.141 2.074 1.00 11.91 ? 58 ASP A N 1
764
+ ATOM 468 C CA . ASP A 1 58 ? 11.918 21.230 1.939 1.00 14.39 ? 58 ASP A CA 1
765
+ ATOM 469 C C . ASP A 1 58 ? 12.101 22.032 3.221 1.00 19.72 ? 58 ASP A C 1
766
+ ATOM 470 O O . ASP A 1 58 ? 13.216 22.454 3.543 1.00 18.61 ? 58 ASP A O 1
767
+ ATOM 471 C CB . ASP A 1 58 ? 11.510 22.186 0.810 1.00 15.57 ? 58 ASP A CB 1
768
+ ATOM 472 C CG . ASP A 1 58 ? 11.796 21.627 -0.562 1.00 24.11 ? 58 ASP A CG 1
769
+ ATOM 473 O OD1 . ASP A 1 58 ? 12.665 20.741 -0.665 1.00 31.14 ? 58 ASP A OD1 1
770
+ ATOM 474 O OD2 . ASP A 1 58 ? 11.165 22.080 -1.543 1.00 24.31 ? 58 ASP A OD2 1
771
+ ATOM 475 N N . GLY A 1 59 ? 11.020 22.238 3.962 1.00 13.98 ? 59 GLY A N 1
772
+ ATOM 476 C CA . GLY A 1 59 ? 11.066 23.124 5.112 1.00 13.86 ? 59 GLY A CA 1
773
+ ATOM 477 C C . GLY A 1 59 ? 11.447 22.479 6.430 1.00 18.83 ? 59 GLY A C 1
774
+ ATOM 478 O O . GLY A 1 59 ? 11.971 23.152 7.333 1.00 17.56 ? 59 GLY A O 1
775
+ ATOM 479 N N . VAL A 1 60 ? 11.196 21.177 6.555 1.00 10.62 ? 60 VAL A N 1
776
+ ATOM 480 C CA . VAL A 1 60 ? 11.313 20.524 7.850 1.00 10.56 ? 60 VAL A CA 1
777
+ ATOM 481 C C . VAL A 1 60 ? 12.323 19.385 7.882 1.00 12.04 ? 60 VAL A C 1
778
+ ATOM 482 O O . VAL A 1 60 ? 12.951 19.140 8.911 1.00 13.09 ? 60 VAL A O 1
779
+ ATOM 483 C CB . VAL A 1 60 ? 9.940 19.993 8.295 1.00 10.27 ? 60 VAL A CB 1
780
+ ATOM 484 C CG1 . VAL A 1 60 ? 10.010 19.361 9.665 1.00 15.79 ? 60 VAL A CG1 1
781
+ ATOM 485 C CG2 . VAL A 1 60 ? 8.929 21.125 8.279 1.00 15.50 ? 60 VAL A CG2 1
782
+ ATOM 486 N N . ILE A 1 61 ? 12.477 18.689 6.760 1.00 9.27 ? 61 ILE A N 1
783
+ ATOM 487 C CA . ILE A 1 61 ? 13.291 17.472 6.758 1.00 9.01 ? 61 ILE A CA 1
784
+ ATOM 488 C C . ILE A 1 61 ? 14.647 17.688 6.088 1.00 10.79 ? 61 ILE A C 1
785
+ ATOM 489 O O . ILE A 1 61 ? 15.687 17.334 6.644 1.00 11.27 ? 61 ILE A O 1
786
+ ATOM 490 C CB . ILE A 1 61 ? 12.569 16.301 6.039 1.00 8.64 ? 61 ILE A CB 1
787
+ ATOM 491 C CG1 . ILE A 1 61 ? 11.183 16.051 6.635 1.00 8.21 ? 61 ILE A CG1 1
788
+ ATOM 492 C CG2 . ILE A 1 61 ? 13.432 15.031 6.081 1.00 9.00 ? 61 ILE A CG2 1
789
+ ATOM 493 C CD1 . ILE A 1 61 ? 11.229 15.682 8.092 1.00 15.46 ? 61 ILE A CD1 1
790
+ ATOM 494 N N . LYS A 1 62 ? 14.625 18.275 4.896 1.00 10.27 ? 62 LYS A N 1
791
+ ATOM 495 C CA . LYS A 1 62 ? 15.814 18.350 4.054 1.00 10.36 ? 62 LYS A CA 1
792
+ ATOM 496 C C . LYS A 1 62 ? 16.938 19.052 4.789 1.00 10.98 ? 62 LYS A C 1
793
+ ATOM 497 O O . LYS A 1 62 ? 16.770 20.165 5.264 1.00 13.28 ? 62 LYS A O 1
794
+ ATOM 498 C CB . LYS A 1 62 ? 15.500 19.086 2.735 1.00 10.93 ? 62 LYS A CB 1
795
+ ATOM 499 C CG . LYS A 1 62 ? 16.685 19.160 1.772 1.00 19.46 ? 62 LYS A CG 1
796
+ ATOM 500 C CD . LYS A 1 62 ? 16.519 20.297 0.782 1.00 35.13 ? 62 LYS A CD 1
797
+ ATOM 501 C CE . LYS A 1 62 ? 15.571 19.911 -0.300 1.00 35.60 ? 62 LYS A CE 1
798
+ ATOM 502 N NZ . LYS A 1 62 ? 15.421 20.989 -1.325 1.00 32.00 ? 62 LYS A NZ 1
799
+ ATOM 503 N N . GLY A 1 63 ? 18.064 18.366 4.934 1.00 13.74 ? 63 GLY A N 1
800
+ ATOM 504 C CA . GLY A 1 63 ? 19.237 18.950 5.546 1.00 13.58 ? 63 GLY A CA 1
801
+ ATOM 505 C C . GLY A 1 63 ? 19.152 19.151 7.037 1.00 18.07 ? 63 GLY A C 1
802
+ ATOM 506 O O . GLY A 1 63 ? 20.062 19.715 7.637 1.00 18.99 ? 63 GLY A O 1
803
+ ATOM 507 N N . LYS A 1 64 ? 18.059 18.701 7.642 1.00 11.22 ? 64 LYS A N 1
804
+ ATOM 508 C CA . LYS A 1 64 ? 17.875 18.869 9.077 1.00 12.74 ? 64 LYS A CA 1
805
+ ATOM 509 C C . LYS A 1 64 ? 18.060 17.558 9.837 1.00 18.31 ? 64 LYS A C 1
806
+ ATOM 510 O O . LYS A 1 64 ? 18.124 17.541 11.064 1.00 17.52 ? 64 LYS A O 1
807
+ ATOM 511 C CB . LYS A 1 64 ? 16.498 19.465 9.366 1.00 11.98 ? 64 LYS A CB 1
808
+ ATOM 512 C CG . LYS A 1 64 ? 16.368 20.861 8.759 1.00 19.98 ? 64 LYS A CG 1
809
+ ATOM 513 C CD . LYS A 1 64 ? 15.532 21.786 9.588 1.00 27.19 ? 64 LYS A CD 1
810
+ ATOM 514 C CE . LYS A 1 64 ? 15.765 23.226 9.148 1.00 27.68 ? 64 LYS A CE 1
811
+ ATOM 515 N NZ . LYS A 1 64 ? 15.439 23.399 7.715 1.00 29.91 ? 64 LYS A NZ 1
812
+ ATOM 516 N N . PHE A 1 65 ? 18.125 16.455 9.100 1.00 11.81 ? 65 PHE A N 1
813
+ ATOM 517 C CA . PHE A 1 65 ? 18.419 15.151 9.681 1.00 10.60 ? 65 PHE A CA 1
814
+ ATOM 518 C C . PHE A 1 65 ? 19.437 14.440 8.809 1.00 20.37 ? 65 PHE A C 1
815
+ ATOM 519 O O . PHE A 1 65 ? 19.430 14.598 7.584 1.00 14.17 ? 65 PHE A O 1
816
+ ATOM 520 C CB . PHE A 1 65 ? 17.152 14.290 9.808 1.00 10.94 ? 65 PHE A CB 1
817
+ ATOM 521 C CG . PHE A 1 65 ? 16.076 14.928 10.611 1.00 10.25 ? 65 PHE A CG 1
818
+ ATOM 522 C CD1 . PHE A 1 65 ? 16.016 14.733 11.986 1.00 10.60 ? 65 PHE A CD1 1
819
+ ATOM 523 C CD2 . PHE A 1 65 ? 15.121 15.735 10.003 1.00 11.21 ? 65 PHE A CD2 1
820
+ ATOM 524 C CE1 . PHE A 1 65 ? 15.023 15.338 12.731 1.00 10.71 ? 65 PHE A CE1 1
821
+ ATOM 525 C CE2 . PHE A 1 65 ? 14.139 16.338 10.738 1.00 17.92 ? 65 PHE A CE2 1
822
+ ATOM 526 C CZ . PHE A 1 65 ? 14.086 16.143 12.106 1.00 14.40 ? 65 PHE A CZ 1
823
+ ATOM 527 N N . LEU A 1 66 ? 20.316 13.666 9.433 1.00 11.80 ? 66 LEU A N 1
824
+ ATOM 528 C CA . LEU A 1 66 ? 21.286 12.873 8.682 1.00 13.49 ? 66 LEU A CA 1
825
+ ATOM 529 C C . LEU A 1 66 ? 20.563 11.919 7.749 1.00 13.28 ? 66 LEU A C 1
826
+ ATOM 530 O O . LEU A 1 66 ? 19.608 11.251 8.156 1.00 14.38 ? 66 LEU A O 1
827
+ ATOM 531 C CB . LEU A 1 66 ? 22.188 12.095 9.635 1.00 16.47 ? 66 LEU A CB 1
828
+ ATOM 532 C CG . LEU A 1 66 ? 23.521 11.518 9.167 1.00 26.44 ? 66 LEU A CG 1
829
+ ATOM 533 C CD1 . LEU A 1 66 ? 24.352 11.248 10.397 1.00 23.33 ? 66 LEU A CD1 1
830
+ ATOM 534 C CD2 . LEU A 1 66 ? 23.345 10.232 8.384 1.00 32.59 ? 66 LEU A CD2 1
831
+ ATOM 535 N N . CYS A 1 67 ? 21.032 11.835 6.510 1.00 11.96 ? 67 CYS A N 1
832
+ ATOM 536 C CA . CYS A 1 67 ? 20.398 10.916 5.581 1.00 13.47 ? 67 CYS A CA 1
833
+ ATOM 537 C C . CYS A 1 67 ? 21.375 10.059 4.813 1.00 13.74 ? 67 CYS A C 1
834
+ ATOM 538 O O . CYS A 1 67 ? 22.562 10.385 4.677 1.00 17.90 ? 67 CYS A O 1
835
+ ATOM 539 C CB . CYS A 1 67 ? 19.496 11.670 4.611 1.00 16.99 ? 67 CYS A CB 1
836
+ ATOM 540 S SG . CYS A 1 67 ? 20.317 12.510 3.279 1.00 21.19 ? 67 CYS A SG 1
837
+ ATOM 541 N N . ARG A 1 68 ? 20.875 8.924 4.357 1.00 12.72 ? 68 ARG A N 1
838
+ ATOM 542 C CA . ARG A 1 68 ? 21.655 8.035 3.525 1.00 14.09 ? 68 ARG A CA 1
839
+ ATOM 543 C C . ARG A 1 68 ? 20.773 7.467 2.423 1.00 13.12 ? 68 ARG A C 1
840
+ ATOM 544 O O . ARG A 1 68 ? 19.578 7.216 2.621 1.00 16.70 ? 68 ARG A O 1
841
+ ATOM 545 C CB . ARG A 1 68 ? 22.273 6.916 4.358 1.00 21.49 ? 68 ARG A CB 1
842
+ ATOM 546 C CG . ARG A 1 68 ? 21.274 6.071 5.083 1.00 23.58 ? 68 ARG A CG 1
843
+ ATOM 547 C CD . ARG A 1 68 ? 21.942 5.117 6.045 1.00 34.53 ? 68 ARG A CD 1
844
+ ATOM 548 N NE . ARG A 1 68 ? 20.944 4.302 6.731 1.00 39.42 ? 68 ARG A NE 1
845
+ ATOM 549 C CZ . ARG A 1 68 ? 21.130 3.746 7.921 1.00 42.45 ? 68 ARG A CZ 1
846
+ ATOM 550 N NH1 . ARG A 1 68 ? 22.281 3.922 8.554 1.00 41.28 ? 68 ARG A NH1 1
847
+ ATOM 551 N NH2 . ARG A 1 68 ? 20.167 3.022 8.479 1.00 41.45 ? 68 ARG A NH2 1
848
+ ATOM 552 N N . LYS A 1 69 ? 21.368 7.287 1.248 1.00 17.33 ? 69 LYS A N 1
849
+ ATOM 553 C CA . LYS A 1 69 ? 20.656 6.721 0.125 1.00 13.54 ? 69 LYS A CA 1
850
+ ATOM 554 C C . LYS A 1 69 ? 20.721 5.200 0.220 1.00 19.22 ? 69 LYS A C 1
851
+ ATOM 555 O O . LYS A 1 69 ? 21.771 4.634 0.532 1.00 25.96 ? 69 LYS A O 1
852
+ ATOM 556 C CB . LYS A 1 69 ? 21.244 7.204 -1.198 1.00 14.67 ? 69 LYS A CB 1
853
+ ATOM 557 C CG . LYS A 1 69 ? 20.356 6.884 -2.376 1.00 22.06 ? 69 LYS A CG 1
854
+ ATOM 558 C CD . LYS A 1 69 ? 20.936 7.340 -3.701 1.00 21.64 ? 69 LYS A CD 1
855
+ ATOM 559 C CE . LYS A 1 69 ? 19.944 7.051 -4.820 1.00 28.21 ? 69 LYS A CE 1
856
+ ATOM 560 N NZ . LYS A 1 69 ? 20.598 6.892 -6.134 1.00 34.78 ? 69 LYS A NZ 1
857
+ ATOM 561 N N . ILE A 1 70 ? 19.604 4.535 -0.028 1.00 19.42 ? 70 ILE A N 1
858
+ ATOM 562 C CA . ILE A 1 70 ? 19.615 3.075 -0.014 1.00 24.06 ? 70 ILE A CA 1
859
+ ATOM 563 C C . ILE A 1 70 ? 19.342 2.518 -1.407 1.00 28.78 ? 70 ILE A C 1
860
+ ATOM 564 O O . ILE A 1 70 ? 18.550 3.069 -2.169 1.00 35.95 ? 70 ILE A O 1
861
+ ATOM 565 C CB . ILE A 1 70 ? 18.600 2.508 0.991 1.00 27.01 ? 70 ILE A CB 1
862
+ ATOM 566 C CG1 . ILE A 1 70 ? 17.170 2.856 0.591 1.00 24.54 ? 70 ILE A CG1 1
863
+ ATOM 567 C CG2 . ILE A 1 70 ? 18.895 3.019 2.388 1.00 28.28 ? 70 ILE A CG2 1
864
+ ATOM 568 C CD1 . ILE A 1 70 ? 16.133 2.185 1.454 1.00 31.96 ? 70 ILE A CD1 1
865
+ ATOM 569 N N . GLY A 1 71 ? 20.020 1.424 -1.737 1.00 34.52 ? 71 GLY A N 1
866
+ ATOM 570 C CA . GLY A 1 71 ? 19.907 0.824 -3.055 1.00 47.34 ? 71 GLY A CA 1
867
+ ATOM 571 C C . GLY A 1 71 ? 21.109 -0.034 -3.403 1.00 60.55 ? 71 GLY A C 1
868
+ ATOM 572 O O . GLY A 1 71 ? 21.884 -0.418 -2.522 1.00 70.28 ? 71 GLY A O 1
869
+ #
870
+ loop_
871
+ _pdbx_audit_revision_history.ordinal 1
872
+ _pdbx_audit_revision_history.data_content_type 'Structure model'
873
+ _pdbx_audit_revision_history.major_revision 1
874
+ _pdbx_audit_revision_history.minor_revision 0
875
+ _pdbx_audit_revision_history.revision_date 2014-12-31
876
+ #
mmcifs/4RGP_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/4RGW_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/4RGW_B.cif ADDED
@@ -0,0 +1,1421 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_4RGW_B
2
+ #
3
+ _pdbx_database_status.entry_id 4RGW_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
21
+ ;ELESQFILRLPPEYASTVRRAVQSGHVNLKDRLTIELHPDGRHGIVRVDRVPLASKLVDLPCVMESLKTIDKKTFYKTAD
22
+ ICQMLVSTVDGDLYPPKKFIWNHGITLPLKNVRKRRFRKTAKK
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;ELESQFILRLPPEYASTVRRAVQSGHVNLKDRLTIELHPDGRHGIVRVDRVPLASKLVDLPCVMESLKTIDKKTFYKTAD
26
+ ICQMLVSTVDGDLYPPKKFIWNHGITLPLKNVRKRRFRKTAKK
27
+ ;
28
+ _entity_poly.pdbx_strand_id B
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 GLU n
37
+ 1 2 LEU n
38
+ 1 3 GLU n
39
+ 1 4 SER n
40
+ 1 5 GLN n
41
+ 1 6 PHE n
42
+ 1 7 ILE n
43
+ 1 8 LEU n
44
+ 1 9 ARG n
45
+ 1 10 LEU n
46
+ 1 11 PRO n
47
+ 1 12 PRO n
48
+ 1 13 GLU n
49
+ 1 14 TYR n
50
+ 1 15 ALA n
51
+ 1 16 SER n
52
+ 1 17 THR n
53
+ 1 18 VAL n
54
+ 1 19 ARG n
55
+ 1 20 ARG n
56
+ 1 21 ALA n
57
+ 1 22 VAL n
58
+ 1 23 GLN n
59
+ 1 24 SER n
60
+ 1 25 GLY n
61
+ 1 26 HIS n
62
+ 1 27 VAL n
63
+ 1 28 ASN n
64
+ 1 29 LEU n
65
+ 1 30 LYS n
66
+ 1 31 ASP n
67
+ 1 32 ARG n
68
+ 1 33 LEU n
69
+ 1 34 THR n
70
+ 1 35 ILE n
71
+ 1 36 GLU n
72
+ 1 37 LEU n
73
+ 1 38 HIS n
74
+ 1 39 PRO n
75
+ 1 40 ASP n
76
+ 1 41 GLY n
77
+ 1 42 ARG n
78
+ 1 43 HIS n
79
+ 1 44 GLY n
80
+ 1 45 ILE n
81
+ 1 46 VAL n
82
+ 1 47 ARG n
83
+ 1 48 VAL n
84
+ 1 49 ASP n
85
+ 1 50 ARG n
86
+ 1 51 VAL n
87
+ 1 52 PRO n
88
+ 1 53 LEU n
89
+ 1 54 ALA n
90
+ 1 55 SER n
91
+ 1 56 LYS n
92
+ 1 57 LEU n
93
+ 1 58 VAL n
94
+ 1 59 ASP n
95
+ 1 60 LEU n
96
+ 1 61 PRO n
97
+ 1 62 CYS n
98
+ 1 63 VAL n
99
+ 1 64 MET n
100
+ 1 65 GLU n
101
+ 1 66 SER n
102
+ 1 67 LEU n
103
+ 1 68 LYS n
104
+ 1 69 THR n
105
+ 1 70 ILE n
106
+ 1 71 ASP n
107
+ 1 72 LYS n
108
+ 1 73 LYS n
109
+ 1 74 THR n
110
+ 1 75 PHE n
111
+ 1 76 TYR n
112
+ 1 77 LYS n
113
+ 1 78 THR n
114
+ 1 79 ALA n
115
+ 1 80 ASP n
116
+ 1 81 ILE n
117
+ 1 82 CYS n
118
+ 1 83 GLN n
119
+ 1 84 MET n
120
+ 1 85 LEU n
121
+ 1 86 VAL n
122
+ 1 87 SER n
123
+ 1 88 THR n
124
+ 1 89 VAL n
125
+ 1 90 ASP n
126
+ 1 91 GLY n
127
+ 1 92 ASP n
128
+ 1 93 LEU n
129
+ 1 94 TYR n
130
+ 1 95 PRO n
131
+ 1 96 PRO n
132
+ 1 97 LYS n
133
+ 1 98 LYS n
134
+ 1 99 PHE n
135
+ 1 100 ILE n
136
+ 1 101 TRP n
137
+ 1 102 ASN n
138
+ 1 103 HIS n
139
+ 1 104 GLY n
140
+ 1 105 ILE n
141
+ 1 106 THR n
142
+ 1 107 LEU n
143
+ 1 108 PRO n
144
+ 1 109 LEU n
145
+ 1 110 LYS n
146
+ 1 111 ASN n
147
+ 1 112 VAL n
148
+ 1 113 ARG n
149
+ 1 114 LYS n
150
+ 1 115 ARG n
151
+ 1 116 ARG n
152
+ 1 117 PHE n
153
+ 1 118 ARG n
154
+ 1 119 LYS n
155
+ 1 120 THR n
156
+ 1 121 ALA n
157
+ 1 122 LYS n
158
+ 1 123 LYS n
159
+ #
160
+ _entity.id 1
161
+ _entity.type polymer
162
+ _entity.src_method man
163
+ _entity.pdbx_description ?
164
+ _entity.formula_weight 14220.759
165
+ _entity.pdbx_number_of_molecules 1
166
+ _entity.pdbx_ec ?
167
+ _entity.pdbx_mutation ?
168
+ _entity.pdbx_fragment ?
169
+ _entity.details ?
170
+ #
171
+ loop_
172
+ _pdbx_poly_seq_scheme.asym_id
173
+ _pdbx_poly_seq_scheme.entity_id
174
+ _pdbx_poly_seq_scheme.seq_id
175
+ _pdbx_poly_seq_scheme.mon_id
176
+ _pdbx_poly_seq_scheme.ndb_seq_num
177
+ _pdbx_poly_seq_scheme.pdb_seq_num
178
+ _pdbx_poly_seq_scheme.auth_seq_num
179
+ _pdbx_poly_seq_scheme.pdb_mon_id
180
+ _pdbx_poly_seq_scheme.auth_mon_id
181
+ _pdbx_poly_seq_scheme.pdb_strand_id
182
+ _pdbx_poly_seq_scheme.pdb_ins_code
183
+ _pdbx_poly_seq_scheme.hetero
184
+ A 1 1 GLU 1 1 1 GLU GLU B . n
185
+ A 1 2 LEU 2 2 2 LEU LEU B . n
186
+ A 1 3 GLU 3 3 3 GLU GLU B . n
187
+ A 1 4 SER 4 4 4 SER SER B . n
188
+ A 1 5 GLN 5 5 5 GLN GLN B . n
189
+ A 1 6 PHE 6 6 6 PHE PHE B . n
190
+ A 1 7 ILE 7 7 7 ILE ILE B . n
191
+ A 1 8 LEU 8 8 8 LEU LEU B . n
192
+ A 1 9 ARG 9 9 9 ARG ARG B . n
193
+ A 1 10 LEU 10 10 10 LEU LEU B . n
194
+ A 1 11 PRO 11 11 11 PRO PRO B . n
195
+ A 1 12 PRO 12 12 12 PRO PRO B . n
196
+ A 1 13 GLU 13 13 13 GLU GLU B . n
197
+ A 1 14 TYR 14 14 14 TYR TYR B . n
198
+ A 1 15 ALA 15 15 15 ALA ALA B . n
199
+ A 1 16 SER 16 16 16 SER SER B . n
200
+ A 1 17 THR 17 17 17 THR THR B . n
201
+ A 1 18 VAL 18 18 18 VAL VAL B . n
202
+ A 1 19 ARG 19 19 19 ARG ARG B . n
203
+ A 1 20 ARG 20 20 20 ARG ARG B . n
204
+ A 1 21 ALA 21 21 21 ALA ALA B . n
205
+ A 1 22 VAL 22 22 22 VAL VAL B . n
206
+ A 1 23 GLN 23 23 23 GLN GLN B . n
207
+ A 1 24 SER 24 24 24 SER SER B . n
208
+ A 1 25 GLY 25 25 25 GLY GLY B . n
209
+ A 1 26 HIS 26 26 26 HIS HIS B . n
210
+ A 1 27 VAL 27 27 27 VAL VAL B . n
211
+ A 1 28 ASN 28 28 28 ASN ASN B . n
212
+ A 1 29 LEU 29 29 29 LEU LEU B . n
213
+ A 1 30 LYS 30 30 30 LYS LYS B . n
214
+ A 1 31 ASP 31 31 31 ASP ASP B . n
215
+ A 1 32 ARG 32 32 32 ARG ARG B . n
216
+ A 1 33 LEU 33 33 33 LEU LEU B . n
217
+ A 1 34 THR 34 34 34 THR THR B . n
218
+ A 1 35 ILE 35 35 35 ILE ILE B . n
219
+ A 1 36 GLU 36 36 36 GLU GLU B . n
220
+ A 1 37 LEU 37 37 37 LEU LEU B . n
221
+ A 1 38 HIS 38 38 38 HIS HIS B . n
222
+ A 1 39 PRO 39 39 39 PRO PRO B . n
223
+ A 1 40 ASP 40 40 40 ASP ASP B . n
224
+ A 1 41 GLY 41 41 41 GLY GLY B . n
225
+ A 1 42 ARG 42 42 42 ARG ARG B . n
226
+ A 1 43 HIS 43 43 43 HIS HIS B . n
227
+ A 1 44 GLY 44 44 44 GLY GLY B . n
228
+ A 1 45 ILE 45 45 45 ILE ILE B . n
229
+ A 1 46 VAL 46 46 46 VAL VAL B . n
230
+ A 1 47 ARG 47 47 47 ARG ARG B . n
231
+ A 1 48 VAL 48 48 48 VAL VAL B . n
232
+ A 1 49 ASP 49 49 49 ASP ASP B . n
233
+ A 1 50 ARG 50 50 50 ARG ARG B . n
234
+ A 1 51 VAL 51 51 51 VAL VAL B . n
235
+ A 1 52 PRO 52 52 52 PRO PRO B . n
236
+ A 1 53 LEU 53 53 53 LEU LEU B . n
237
+ A 1 54 ALA 54 54 54 ALA ALA B . n
238
+ A 1 55 SER 55 55 55 SER SER B . n
239
+ A 1 56 LYS 56 56 56 LYS LYS B . n
240
+ A 1 57 LEU 57 57 57 LEU LEU B . n
241
+ A 1 58 VAL 58 58 58 VAL VAL B . n
242
+ A 1 59 ASP 59 59 59 ASP ASP B . n
243
+ A 1 60 LEU 60 60 60 LEU LEU B . n
244
+ A 1 61 PRO 61 61 61 PRO PRO B . n
245
+ A 1 62 CYS 62 62 62 CYS CYS B . n
246
+ A 1 63 VAL 63 63 63 VAL VAL B . n
247
+ A 1 64 MET 64 64 64 MET MET B . n
248
+ A 1 65 GLU 65 65 65 GLU GLU B . n
249
+ A 1 66 SER 66 66 66 SER SER B . n
250
+ A 1 67 LEU 67 67 67 LEU LEU B . n
251
+ A 1 68 LYS 68 68 68 LYS LYS B . n
252
+ A 1 69 THR 69 69 69 THR THR B . n
253
+ A 1 70 ILE 70 70 70 ILE ILE B . n
254
+ A 1 71 ASP 71 71 71 ASP ASP B . n
255
+ A 1 72 LYS 72 72 72 LYS LYS B . n
256
+ A 1 73 LYS 73 73 73 LYS LYS B . n
257
+ A 1 74 THR 74 74 74 THR THR B . n
258
+ A 1 75 PHE 75 75 75 PHE PHE B . n
259
+ A 1 76 TYR 76 76 76 TYR TYR B . n
260
+ A 1 77 LYS 77 77 77 LYS LYS B . n
261
+ A 1 78 THR 78 78 78 THR THR B . n
262
+ A 1 79 ALA 79 79 79 ALA ALA B . n
263
+ A 1 80 ASP 80 80 80 ASP ASP B . n
264
+ A 1 81 ILE 81 81 81 ILE ILE B . n
265
+ A 1 82 CYS 82 82 82 CYS CYS B . n
266
+ A 1 83 GLN 83 83 83 GLN GLN B . n
267
+ A 1 84 MET 84 84 84 MET MET B . n
268
+ A 1 85 LEU 85 85 85 LEU LEU B . n
269
+ A 1 86 VAL 86 86 86 VAL VAL B . n
270
+ A 1 87 SER 87 87 87 SER SER B . n
271
+ A 1 88 THR 88 88 88 THR THR B . n
272
+ A 1 89 VAL 89 89 89 VAL VAL B . n
273
+ A 1 90 ASP 90 90 90 ASP ASP B . n
274
+ A 1 91 GLY 91 91 91 GLY GLY B . n
275
+ A 1 92 ASP 92 92 92 ASP ASP B . n
276
+ A 1 93 LEU 93 93 93 LEU LEU B . n
277
+ A 1 94 TYR 94 94 94 TYR TYR B . n
278
+ A 1 95 PRO 95 95 95 PRO PRO B . n
279
+ A 1 96 PRO 96 96 96 PRO PRO B . n
280
+ A 1 97 LYS 97 97 97 LYS LYS B . n
281
+ A 1 98 LYS 98 98 98 LYS LYS B . n
282
+ A 1 99 PHE 99 99 99 PHE PHE B . n
283
+ A 1 100 ILE 100 100 100 ILE ILE B . n
284
+ A 1 101 TRP 101 101 101 TRP TRP B . n
285
+ A 1 102 ASN 102 102 102 ASN ASN B . n
286
+ A 1 103 HIS 103 103 103 HIS HIS B . n
287
+ A 1 104 GLY 104 104 104 GLY GLY B . n
288
+ A 1 105 ILE 105 105 105 ILE ILE B . n
289
+ A 1 106 THR 106 106 106 THR THR B . n
290
+ A 1 107 LEU 107 107 107 LEU LEU B . n
291
+ A 1 108 PRO 108 108 108 PRO PRO B . n
292
+ A 1 109 LEU 109 109 109 LEU LEU B . n
293
+ A 1 110 LYS 110 110 110 LYS LYS B . n
294
+ A 1 111 ASN 111 111 111 ASN ASN B . n
295
+ A 1 112 VAL 112 112 112 VAL VAL B . n
296
+ A 1 113 ARG 113 113 113 ARG ARG B . n
297
+ A 1 114 LYS 114 114 114 LYS LYS B . n
298
+ A 1 115 ARG 115 115 115 ARG ARG B . n
299
+ A 1 116 ARG 116 116 116 ARG ARG B . n
300
+ A 1 117 PHE 117 117 117 PHE PHE B . n
301
+ A 1 118 ARG 118 118 118 ARG ARG B . n
302
+ A 1 119 LYS 119 119 119 LYS LYS B . n
303
+ A 1 120 THR 120 120 120 THR THR B . n
304
+ A 1 121 ALA 121 121 121 ALA ALA B . n
305
+ A 1 122 LYS 122 122 122 LYS LYS B . n
306
+ A 1 123 LYS 123 123 123 LYS LYS B . n
307
+ #
308
+ loop_
309
+ _chem_comp.id
310
+ _chem_comp.type
311
+ _chem_comp.mon_nstd_flag
312
+ _chem_comp.name
313
+ _chem_comp.pdbx_synonyms
314
+ _chem_comp.formula
315
+ _chem_comp.formula_weight
316
+ ALA "L-peptide linking" y ALANINE ? "C3 H7 N O2" 89.093
317
+ ARG "L-peptide linking" y ARGININE ? "C6 H15 N4 O2 1" 175.209
318
+ ASN "L-peptide linking" y ASPARAGINE ? "C4 H8 N2 O3" 132.118
319
+ ASP "L-peptide linking" y "ASPARTIC ACID" ? "C4 H7 N O4" 133.103
320
+ CYS "L-peptide linking" y CYSTEINE ? "C3 H7 N O2 S" 121.158
321
+ GLN "L-peptide linking" y GLUTAMINE ? "C5 H10 N2 O3" 146.144
322
+ GLU "L-peptide linking" y "GLUTAMIC ACID" ? "C5 H9 N O4" 147.129
323
+ GLY "peptide linking" y GLYCINE ? "C2 H5 N O2" 75.067
324
+ HIS "L-peptide linking" y HISTIDINE ? "C6 H10 N3 O2 1" 156.162
325
+ ILE "L-peptide linking" y ISOLEUCINE ? "C6 H13 N O2" 131.173
326
+ LEU "L-peptide linking" y LEUCINE ? "C6 H13 N O2" 131.173
327
+ LYS "L-peptide linking" y LYSINE ? "C6 H15 N2 O2 1" 147.195
328
+ MET "L-peptide linking" y METHIONINE ? "C5 H11 N O2 S" 149.211
329
+ PHE "L-peptide linking" y PHENYLALANINE ? "C9 H11 N O2" 165.189
330
+ PRO "L-peptide linking" y PROLINE ? "C5 H9 N O2" 115.130
331
+ SER "L-peptide linking" y SERINE ? "C3 H7 N O3" 105.093
332
+ THR "L-peptide linking" y THREONINE ? "C4 H9 N O3" 119.119
333
+ TRP "L-peptide linking" y TRYPTOPHAN ? "C11 H12 N2 O2" 204.225
334
+ TYR "L-peptide linking" y TYROSINE ? "C9 H11 N O3" 181.189
335
+ VAL "L-peptide linking" y VALINE ? "C5 H11 N O2" 117.146
336
+ #
337
+ _struct_asym.id A
338
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
339
+ _struct_asym.pdbx_modified N
340
+ _struct_asym.entity_id 1
341
+ _struct_asym.details ?
342
+ #
343
+ _atom_sites.entry_id 4RGW_B
344
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
345
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
346
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
347
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
348
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
349
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
350
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
351
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
352
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
353
+ _atom_sites.fract_transf_vector[1] 0.00000
354
+ _atom_sites.fract_transf_vector[2] 0.00000
355
+ _atom_sites.fract_transf_vector[3] 0.00000
356
+ #
357
+ _pdbx_validate_torsion.id 1
358
+ _pdbx_validate_torsion.PDB_model_num 1
359
+ _pdbx_validate_torsion.auth_comp_id ARG
360
+ _pdbx_validate_torsion.auth_asym_id B
361
+ _pdbx_validate_torsion.auth_seq_id 50
362
+ _pdbx_validate_torsion.PDB_ins_code ?
363
+ _pdbx_validate_torsion.label_alt_id ?
364
+ _pdbx_validate_torsion.phi 73.41
365
+ _pdbx_validate_torsion.psi -1.76
366
+ #
367
+ _pdbx_validate_polymer_linkage.id 1
368
+ _pdbx_validate_polymer_linkage.PDB_model_num 1
369
+ _pdbx_validate_polymer_linkage.auth_atom_id_1 C
370
+ _pdbx_validate_polymer_linkage.auth_asym_id_1 B
371
+ _pdbx_validate_polymer_linkage.auth_comp_id_1 PRO
372
+ _pdbx_validate_polymer_linkage.auth_seq_id_1 96
373
+ _pdbx_validate_polymer_linkage.PDB_ins_code_1 ?
374
+ _pdbx_validate_polymer_linkage.label_alt_id_1 ?
375
+ _pdbx_validate_polymer_linkage.auth_atom_id_2 N
376
+ _pdbx_validate_polymer_linkage.auth_asym_id_2 B
377
+ _pdbx_validate_polymer_linkage.auth_comp_id_2 LYS
378
+ _pdbx_validate_polymer_linkage.auth_seq_id_2 97
379
+ _pdbx_validate_polymer_linkage.PDB_ins_code_2 ?
380
+ _pdbx_validate_polymer_linkage.label_alt_id_2 ?
381
+ _pdbx_validate_polymer_linkage.dist 14.45
382
+ #
383
+ loop_
384
+ _atom_type.symbol
385
+ C
386
+ N
387
+ O
388
+ S
389
+ #
390
+ _entry.id 4RGW_B
391
+ #
392
+ loop_
393
+ _atom_site.group_PDB
394
+ _atom_site.id
395
+ _atom_site.type_symbol
396
+ _atom_site.label_atom_id
397
+ _atom_site.label_alt_id
398
+ _atom_site.label_comp_id
399
+ _atom_site.label_asym_id
400
+ _atom_site.label_entity_id
401
+ _atom_site.label_seq_id
402
+ _atom_site.pdbx_PDB_ins_code
403
+ _atom_site.Cartn_x
404
+ _atom_site.Cartn_y
405
+ _atom_site.Cartn_z
406
+ _atom_site.occupancy
407
+ _atom_site.B_iso_or_equiv
408
+ _atom_site.pdbx_formal_charge
409
+ _atom_site.auth_seq_id
410
+ _atom_site.auth_comp_id
411
+ _atom_site.auth_asym_id
412
+ _atom_site.auth_atom_id
413
+ _atom_site.pdbx_PDB_model_num
414
+ ATOM 1 N N . GLU A 1 1 ? -16.142 -22.442 -1.132 1.00 17.56 ? 1 GLU B N 1
415
+ ATOM 2 C CA . GLU A 1 1 ? -15.687 -21.632 0.007 1.00 21.66 ? 1 GLU B CA 1
416
+ ATOM 3 C C . GLU A 1 1 ? -16.598 -20.436 0.256 1.00 14.88 ? 1 GLU B C 1
417
+ ATOM 4 O O . GLU A 1 1 ? -17.150 -19.872 -0.683 1.00 15.61 ? 1 GLU B O 1
418
+ ATOM 5 C CB . GLU A 1 1 ? -14.241 -21.166 -0.187 1.00 26.93 ? 1 GLU B CB 1
419
+ ATOM 6 C CG . GLU A 1 1 ? -13.882 -20.853 -1.644 1.00 30.15 ? 1 GLU B CG 1
420
+ ATOM 7 C CD . GLU A 1 1 ? -12.469 -20.285 -1.806 1.00 33.12 ? 1 GLU B CD 1
421
+ ATOM 8 O OE1 . GLU A 1 1 ? -12.034 -20.096 -2.967 1.00 32.98 ? 1 GLU B OE1 1
422
+ ATOM 9 O OE2 . GLU A 1 1 ? -11.800 -20.027 -0.779 1.00 30.76 ? 1 GLU B OE2 1
423
+ ATOM 10 N N . LEU A 1 2 ? -16.768 -20.056 1.520 1.00 12.07 ? 2 LEU B N 1
424
+ ATOM 11 C CA . LEU A 1 2 ? -17.650 -18.937 1.843 1.00 11.52 ? 2 LEU B CA 1
425
+ ATOM 12 C C . LEU A 1 2 ? -17.118 -17.642 1.246 1.00 16.07 ? 2 LEU B C 1
426
+ ATOM 13 O O . LEU A 1 2 ? -15.910 -17.364 1.280 1.00 13.97 ? 2 LEU B O 1
427
+ ATOM 14 C CB . LEU A 1 2 ? -17.821 -18.761 3.357 1.00 11.93 ? 2 LEU B CB 1
428
+ ATOM 15 C CG . LEU A 1 2 ? -18.632 -19.801 4.124 1.00 17.87 ? 2 LEU B CG 1
429
+ ATOM 16 C CD1 . LEU A 1 2 ? -18.697 -19.482 5.628 1.00 18.08 ? 2 LEU B CD1 1
430
+ ATOM 17 C CD2 . LEU A 1 2 ? -20.018 -19.909 3.544 1.00 12.14 ? 2 LEU B CD2 1
431
+ ATOM 18 N N . GLU A 1 3 ? -18.037 -16.862 0.692 1.00 11.65 ? 3 GLU B N 1
432
+ ATOM 19 C CA . GLU A 1 3 ? -17.741 -15.548 0.152 1.00 10.26 ? 3 GLU B CA 1
433
+ ATOM 20 C C . GLU A 1 3 ? -17.308 -14.610 1.281 1.00 7.71 ? 3 GLU B C 1
434
+ ATOM 21 O O . GLU A 1 3 ? -17.948 -14.540 2.334 1.00 7.28 ? 3 GLU B O 1
435
+ ATOM 22 C CB . GLU A 1 3 ? -19.028 -15.015 -0.475 1.00 13.92 ? 3 GLU B CB 1
436
+ ATOM 23 C CG . GLU A 1 3 ? -18.857 -13.942 -1.502 1.00 12.00 ? 3 GLU B CG 1
437
+ ATOM 24 C CD . GLU A 1 3 ? -20.146 -13.718 -2.290 1.00 13.38 ? 3 GLU B CD 1
438
+ ATOM 25 O OE1 . GLU A 1 3 ? -21.113 -13.162 -1.708 1.00 10.01 ? 3 GLU B OE1 1
439
+ ATOM 26 O OE2 . GLU A 1 3 ? -20.188 -14.102 -3.484 1.00 11.55 ? 3 GLU B OE2 1
440
+ ATOM 27 N N . SER A 1 4 ? -16.236 -13.868 1.065 1.00 8.10 ? 4 SER B N 1
441
+ ATOM 28 C CA . SER A 1 4 ? -15.781 -12.924 2.074 1.00 7.54 ? 4 SER B CA 1
442
+ ATOM 29 C C . SER A 1 4 ? -16.407 -11.559 1.769 1.00 8.73 ? 4 SER B C 1
443
+ ATOM 30 O O . SER A 1 4 ? -16.477 -11.154 0.594 1.00 6.26 ? 4 SER B O 1
444
+ ATOM 31 C CB . SER A 1 4 ? -14.253 -12.863 2.054 1.00 8.64 ? 4 SER B CB 1
445
+ ATOM 32 O OG . SER A 1 4 ? -13.762 -11.750 2.762 1.00 11.13 ? 4 SER B OG 1
446
+ ATOM 33 N N . GLN A 1 5 ? -16.900 -10.876 2.805 1.00 3.13 ? 5 GLN B N 1
447
+ ATOM 34 C CA . GLN A 1 5 ? -17.467 -9.536 2.642 1.00 3.96 ? 5 GLN B CA 1
448
+ ATOM 35 C C . GLN A 1 5 ? -16.988 -8.597 3.739 1.00 3.57 ? 5 GLN B C 1
449
+ ATOM 36 O O . GLN A 1 5 ? -16.796 -9.010 4.896 1.00 3.95 ? 5 GLN B O 1
450
+ ATOM 37 C CB . GLN A 1 5 ? -19.012 -9.565 2.612 1.00 4.28 ? 5 GLN B CB 1
451
+ ATOM 38 C CG . GLN A 1 5 ? -19.621 -10.354 1.460 1.00 3.19 ? 5 GLN B CG 1
452
+ ATOM 39 C CD . GLN A 1 5 ? -21.155 -10.345 1.467 1.00 5.95 ? 5 GLN B CD 1
453
+ ATOM 40 O OE1 . GLN A 1 5 ? -21.787 -9.576 2.196 1.00 4.50 ? 5 GLN B OE1 1
454
+ ATOM 41 N NE2 . GLN A 1 5 ? -21.754 -11.206 0.646 1.00 4.71 ? 5 GLN B NE2 1
455
+ ATOM 42 N N . PHE A 1 6 ? -16.802 -7.328 3.379 1.00 3.41 ? 6 PHE B N 1
456
+ ATOM 43 C CA . PHE A 1 6 ? -16.396 -6.322 4.356 1.00 4.95 ? 6 PHE B CA 1
457
+ ATOM 44 C C . PHE A 1 6 ? -16.807 -4.914 3.920 1.00 5.17 ? 6 PHE B C 1
458
+ ATOM 45 O O . PHE A 1 6 ? -17.185 -4.704 2.758 1.00 4.45 ? 6 PHE B O 1
459
+ ATOM 46 C CB . PHE A 1 6 ? -14.890 -6.409 4.647 1.00 4.22 ? 6 PHE B CB 1
460
+ ATOM 47 C CG . PHE A 1 6 ? -14.013 -6.082 3.470 1.00 4.39 ? 6 PHE B CG 1
461
+ ATOM 48 C CD1 . PHE A 1 6 ? -13.596 -7.081 2.597 1.00 5.45 ? 6 PHE B CD1 1
462
+ ATOM 49 C CD2 . PHE A 1 6 ? -13.574 -4.789 3.264 1.00 3.79 ? 6 PHE B CD2 1
463
+ ATOM 50 C CE1 . PHE A 1 6 ? -12.776 -6.792 1.524 1.00 5.20 ? 6 PHE B CE1 1
464
+ ATOM 51 C CE2 . PHE A 1 6 ? -12.743 -4.481 2.204 1.00 6.66 ? 6 PHE B CE2 1
465
+ ATOM 52 C CZ . PHE A 1 6 ? -12.346 -5.484 1.319 1.00 6.45 ? 6 PHE B CZ 1
466
+ ATOM 53 N N . ILE A 1 7 ? -16.760 -3.964 4.853 1.00 2.38 ? 7 ILE B N 1
467
+ ATOM 54 C CA . ILE A 1 7 ? -17.168 -2.594 4.556 1.00 4.04 ? 7 ILE B CA 1
468
+ ATOM 55 C C . ILE A 1 7 ? -15.956 -1.752 4.145 1.00 5.70 ? 7 ILE B C 1
469
+ ATOM 56 O O . ILE A 1 7 ? -14.901 -1.794 4.801 1.00 5.34 ? 7 ILE B O 1
470
+ ATOM 57 C CB . ILE A 1 7 ? -17.873 -1.898 5.762 1.00 4.93 ? 7 ILE B CB 1
471
+ ATOM 58 C CG1 . ILE A 1 7 ? -19.084 -2.707 6.271 1.00 4.64 ? 7 ILE B CG1 1
472
+ ATOM 59 C CG2 . ILE A 1 7 ? -18.260 -0.461 5.396 1.00 5.03 ? 7 ILE B CG2 1
473
+ ATOM 60 C CD1 . ILE A 1 7 ? -20.136 -3.035 5.205 1.00 5.48 ? 7 ILE B CD1 1
474
+ ATOM 61 N N . LEU A 1 8 ? -16.104 -1.001 3.055 1.00 4.90 ? 8 LEU B N 1
475
+ ATOM 62 C CA . LEU A 1 8 ? -15.113 -0.007 2.669 1.00 3.90 ? 8 LEU B CA 1
476
+ ATOM 63 C C . LEU A 1 8 ? -15.632 1.361 3.085 1.00 4.94 ? 8 LEU B C 1
477
+ ATOM 64 O O . LEU A 1 8 ? -16.747 1.749 2.709 1.00 6.54 ? 8 LEU B O 1
478
+ ATOM 65 C CB . LEU A 1 8 ? -14.885 -0.027 1.145 1.00 3.76 ? 8 LEU B CB 1
479
+ ATOM 66 C CG . LEU A 1 8 ? -14.010 1.126 0.637 1.00 5.49 ? 8 LEU B CG 1
480
+ ATOM 67 C CD1 . LEU A 1 8 ? -12.580 0.977 1.149 1.00 4.86 ? 8 LEU B CD1 1
481
+ ATOM 68 C CD2 . LEU A 1 8 ? -14.035 1.274 -0.891 1.00 6.81 ? 8 LEU B CD2 1
482
+ ATOM 69 N N . ARG A 1 9 ? -14.840 2.094 3.861 1.00 4.32 ? 9 ARG B N 1
483
+ ATOM 70 C CA . ARG A 1 9 ? -15.218 3.443 4.255 1.00 5.53 ? 9 ARG B CA 1
484
+ ATOM 71 C C . ARG A 1 9 ? -14.240 4.444 3.653 1.00 9.00 ? 9 ARG B C 1
485
+ ATOM 72 O O . ARG A 1 9 ? -13.023 4.331 3.845 1.00 4.77 ? 9 ARG B O 1
486
+ ATOM 73 C CB . ARG A 1 9 ? -15.262 3.574 5.791 1.00 6.09 ? 9 ARG B CB 1
487
+ ATOM 74 C CG . ARG A 1 9 ? -15.295 5.022 6.302 1.00 7.76 ? 9 ARG B CG 1
488
+ ATOM 75 C CD . ARG A 1 9 ? -15.726 5.090 7.765 1.00 4.41 ? 9 ARG B CD 1
489
+ ATOM 76 N NE . ARG A 1 9 ? -17.077 4.549 7.913 1.00 6.80 ? 9 ARG B NE 1
490
+ ATOM 77 C CZ . ARG A 1 9 ? -17.758 4.480 9.055 1.00 8.61 ? 9 ARG B CZ 1
491
+ ATOM 78 N NH1 . ARG A 1 9 ? -17.230 4.927 10.185 1.00 5.70 ? 9 ARG B NH1 1
492
+ ATOM 79 N NH2 . ARG A 1 9 ? -18.979 3.957 9.064 1.00 9.10 ? 9 ARG B NH2 1
493
+ ATOM 80 N N . LEU A 1 10 ? -14.772 5.422 2.920 1.00 8.32 ? 10 LEU B N 1
494
+ ATOM 81 C CA . LEU A 1 10 ? -13.927 6.425 2.282 1.00 8.02 ? 10 LEU B CA 1
495
+ ATOM 82 C C . LEU A 1 10 ? -14.177 7.799 2.891 1.00 9.05 ? 10 LEU B C 1
496
+ ATOM 83 O O . LEU A 1 10 ? -15.251 8.050 3.426 1.00 8.05 ? 10 LEU B O 1
497
+ ATOM 84 C CB . LEU A 1 10 ? -14.225 6.484 0.784 1.00 6.39 ? 10 LEU B CB 1
498
+ ATOM 85 C CG . LEU A 1 10 ? -13.940 5.236 -0.043 1.00 8.21 ? 10 LEU B CG 1
499
+ ATOM 86 C CD1 . LEU A 1 10 ? -14.376 5.444 -1.488 1.00 7.33 ? 10 LEU B CD1 1
500
+ ATOM 87 C CD2 . LEU A 1 10 ? -12.455 4.886 0.034 1.00 8.78 ? 10 LEU B CD2 1
501
+ ATOM 88 N N . PRO A 1 11 ? -13.190 8.703 2.792 1.00 10.17 ? 11 PRO B N 1
502
+ ATOM 89 C CA . PRO A 1 11 ? -13.482 10.091 3.167 1.00 11.17 ? 11 PRO B CA 1
503
+ ATOM 90 C C . PRO A 1 11 ? -14.571 10.614 2.232 1.00 13.64 ? 11 PRO B C 1
504
+ ATOM 91 O O . PRO A 1 11 ? -14.571 10.240 1.049 1.00 12.42 ? 11 PRO B O 1
505
+ ATOM 92 C CB . PRO A 1 11 ? -12.157 10.827 2.898 1.00 13.40 ? 11 PRO B CB 1
506
+ ATOM 93 C CG . PRO A 1 11 ? -11.097 9.743 2.800 1.00 11.35 ? 11 PRO B CG 1
507
+ ATOM 94 C CD . PRO A 1 11 ? -11.827 8.538 2.252 1.00 7.66 ? 11 PRO B CD 1
508
+ ATOM 95 N N . PRO A 1 12 ? -15.482 11.459 2.753 1.00 13.55 ? 12 PRO B N 1
509
+ ATOM 96 C CA . PRO A 1 12 ? -16.720 11.863 2.073 1.00 10.69 ? 12 PRO B CA 1
510
+ ATOM 97 C C . PRO A 1 12 ? -16.526 12.381 0.646 1.00 15.49 ? 12 PRO B C 1
511
+ ATOM 98 O O . PRO A 1 12 ? -17.321 12.011 -0.218 1.00 11.23 ? 12 PRO B O 1
512
+ ATOM 99 C CB . PRO A 1 12 ? -17.274 12.967 2.984 1.00 11.49 ? 12 PRO B CB 1
513
+ ATOM 100 C CG . PRO A 1 12 ? -16.762 12.607 4.340 1.00 10.60 ? 12 PRO B CG 1
514
+ ATOM 101 C CD . PRO A 1 12 ? -15.381 12.043 4.103 1.00 7.92 ? 12 PRO B CD 1
515
+ ATOM 102 N N . GLU A 1 13 ? -15.508 13.212 0.406 1.00 17.85 ? 13 GLU B N 1
516
+ ATOM 103 C CA . GLU A 1 13 ? -15.205 13.690 -0.949 1.00 17.68 ? 13 GLU B CA 1
517
+ ATOM 104 C C . GLU A 1 13 ? -14.944 12.535 -1.929 1.00 15.46 ? 13 GLU B C 1
518
+ ATOM 105 O O . GLU A 1 13 ? -15.400 12.563 -3.073 1.00 15.13 ? 13 GLU B O 1
519
+ ATOM 106 C CB . GLU A 1 13 ? -13.988 14.620 -0.937 1.00 27.93 ? 13 GLU B CB 1
520
+ ATOM 107 C CG . GLU A 1 13 ? -13.645 15.211 0.432 1.00 39.83 ? 13 GLU B CG 1
521
+ ATOM 108 C CD . GLU A 1 13 ? -12.726 14.323 1.264 1.00 34.86 ? 13 GLU B CD 1
522
+ ATOM 109 O OE1 . GLU A 1 13 ? -13.196 13.778 2.292 1.00 34.34 ? 13 GLU B OE1 1
523
+ ATOM 110 O OE2 . GLU A 1 13 ? -11.530 14.193 0.903 1.00 35.73 ? 13 GLU B OE2 1
524
+ ATOM 111 N N . TYR A 1 14 ? -14.220 11.517 -1.472 1.00 11.35 ? 14 TYR B N 1
525
+ ATOM 112 C CA . TYR A 1 14 ? -13.876 10.396 -2.329 1.00 11.85 ? 14 TYR B CA 1
526
+ ATOM 113 C C . TYR A 1 14 ? -15.051 9.442 -2.459 1.00 10.96 ? 14 TYR B C 1
527
+ ATOM 114 O O . TYR A 1 14 ? -15.273 8.847 -3.518 1.00 6.92 ? 14 TYR B O 1
528
+ ATOM 115 C CB . TYR A 1 14 ? -12.629 9.687 -1.800 1.00 8.69 ? 14 TYR B CB 1
529
+ ATOM 116 C CG . TYR A 1 14 ? -11.390 10.531 -1.972 1.00 10.92 ? 14 TYR B CG 1
530
+ ATOM 117 C CD1 . TYR A 1 14 ? -10.689 10.530 -3.171 1.00 11.27 ? 14 TYR B CD1 1
531
+ ATOM 118 C CD2 . TYR A 1 14 ? -10.937 11.355 -0.946 1.00 12.69 ? 14 TYR B CD2 1
532
+ ATOM 119 C CE1 . TYR A 1 14 ? -9.549 11.321 -3.342 1.00 13.13 ? 14 TYR B CE1 1
533
+ ATOM 120 C CE2 . TYR A 1 14 ? -9.802 12.143 -1.103 1.00 15.74 ? 14 TYR B CE2 1
534
+ ATOM 121 C CZ . TYR A 1 14 ? -9.118 12.121 -2.309 1.00 17.01 ? 14 TYR B CZ 1
535
+ ATOM 122 O OH . TYR A 1 14 ? -7.991 12.892 -2.477 1.00 23.83 ? 14 TYR B OH 1
536
+ ATOM 123 N N . ALA A 1 15 ? -15.811 9.316 -1.377 1.00 10.73 ? 15 ALA B N 1
537
+ ATOM 124 C CA . ALA A 1 15 ? -16.988 8.457 -1.373 1.00 9.96 ? 15 ALA B CA 1
538
+ ATOM 125 C C . ALA A 1 15 ? -17.990 8.920 -2.412 1.00 9.96 ? 15 ALA B C 1
539
+ ATOM 126 O O . ALA A 1 15 ? -18.666 8.103 -3.043 1.00 12.68 ? 15 ALA B O 1
540
+ ATOM 127 C CB . ALA A 1 15 ? -17.630 8.441 0.013 1.00 8.26 ? 15 ALA B CB 1
541
+ ATOM 128 N N . SER A 1 16 ? -18.100 10.236 -2.581 1.00 12.59 ? 16 SER B N 1
542
+ ATOM 129 C CA . SER A 1 16 ? -19.037 10.798 -3.558 1.00 15.78 ? 16 SER B CA 1
543
+ ATOM 130 C C . SER A 1 16 ? -18.646 10.417 -4.979 1.00 10.80 ? 16 SER B C 1
544
+ ATOM 131 O O . SER A 1 16 ? -19.498 10.039 -5.787 1.00 9.22 ? 16 SER B O 1
545
+ ATOM 132 C CB . SER A 1 16 ? -19.095 12.325 -3.438 1.00 9.54 ? 16 SER B CB 1
546
+ ATOM 133 O OG . SER A 1 16 ? -19.878 12.693 -2.328 1.00 26.38 ? 16 SER B OG 1
547
+ ATOM 134 N N . THR A 1 17 ? -17.353 10.535 -5.268 1.00 8.48 ? 17 THR B N 1
548
+ ATOM 135 C CA . THR A 1 17 ? -16.811 10.208 -6.580 1.00 10.60 ? 17 THR B CA 1
549
+ ATOM 136 C C . THR A 1 17 ? -17.125 8.754 -6.903 1.00 9.81 ? 17 THR B C 1
550
+ ATOM 137 O O . THR A 1 17 ? -17.685 8.432 -7.951 1.00 8.45 ? 17 THR B O 1
551
+ ATOM 138 C CB . THR A 1 17 ? -15.278 10.405 -6.593 1.00 13.59 ? 17 THR B CB 1
552
+ ATOM 139 O OG1 . THR A 1 17 ? -14.974 11.796 -6.425 1.00 12.86 ? 17 THR B OG1 1
553
+ ATOM 140 C CG2 . THR A 1 17 ? -14.662 9.891 -7.897 1.00 7.69 ? 17 THR B CG2 1
554
+ ATOM 141 N N . VAL A 1 18 ? -16.771 7.879 -5.972 1.00 12.48 ? 18 VAL B N 1
555
+ ATOM 142 C CA . VAL A 1 18 ? -16.992 6.446 -6.126 1.00 8.00 ? 18 VAL B CA 1
556
+ ATOM 143 C C . VAL A 1 18 ? -18.484 6.069 -6.235 1.00 8.79 ? 18 VAL B C 1
557
+ ATOM 144 O O . VAL A 1 18 ? -18.861 5.244 -7.074 1.00 7.70 ? 18 VAL B O 1
558
+ ATOM 145 C CB . VAL A 1 18 ? -16.278 5.705 -4.985 1.00 9.22 ? 18 VAL B CB 1
559
+ ATOM 146 C CG1 . VAL A 1 18 ? -16.755 4.267 -4.866 1.00 5.97 ? 18 VAL B CG1 1
560
+ ATOM 147 C CG2 . VAL A 1 18 ? -14.755 5.795 -5.199 1.00 6.16 ? 18 VAL B CG2 1
561
+ ATOM 148 N N . ARG A 1 19 ? -19.338 6.673 -5.409 1.00 7.11 ? 19 ARG B N 1
562
+ ATOM 149 C CA . ARG A 1 19 ? -20.770 6.347 -5.457 1.00 9.38 ? 19 ARG B CA 1
563
+ ATOM 150 C C . ARG A 1 19 ? -21.394 6.633 -6.840 1.00 7.74 ? 19 ARG B C 1
564
+ ATOM 151 O O . ARG A 1 19 ? -22.145 5.810 -7.373 1.00 7.42 ? 19 ARG B O 1
565
+ ATOM 152 C CB . ARG A 1 19 ? -21.549 7.061 -4.338 1.00 7.49 ? 19 ARG B CB 1
566
+ ATOM 153 C CG . ARG A 1 19 ? -22.993 6.558 -4.162 1.00 9.89 ? 19 ARG B CG 1
567
+ ATOM 154 C CD . ARG A 1 19 ? -23.665 7.164 -2.927 1.00 11.53 ? 19 ARG B CD 1
568
+ ATOM 155 N NE . ARG A 1 19 ? -22.897 6.893 -1.703 1.00 19.33 ? 19 ARG B NE 1
569
+ ATOM 156 C CZ . ARG A 1 19 ? -22.879 5.726 -1.053 1.00 12.68 ? 19 ARG B CZ 1
570
+ ATOM 157 N NH1 . ARG A 1 19 ? -23.588 4.693 -1.486 1.00 12.65 ? 19 ARG B NH1 1
571
+ ATOM 158 N NH2 . ARG A 1 19 ? -22.149 5.587 0.047 1.00 13.19 ? 19 ARG B NH2 1
572
+ ATOM 159 N N . ARG A 1 20 ? -21.078 7.788 -7.419 1.00 7.10 ? 20 ARG B N 1
573
+ ATOM 160 C CA . ARG A 1 20 ? -21.542 8.100 -8.768 1.00 8.45 ? 20 ARG B CA 1
574
+ ATOM 161 C C . ARG A 1 20 ? -21.069 7.042 -9.763 1.00 9.94 ? 20 ARG B C 1
575
+ ATOM 162 O O . ARG A 1 20 ? -21.828 6.616 -10.630 1.00 11.21 ? 20 ARG B O 1
576
+ ATOM 163 C CB . ARG A 1 20 ? -21.072 9.493 -9.194 1.00 9.74 ? 20 ARG B CB 1
577
+ ATOM 164 C CG . ARG A 1 20 ? -21.703 10.613 -8.358 1.00 12.27 ? 20 ARG B CG 1
578
+ ATOM 165 C CD . ARG A 1 20 ? -21.390 12.009 -8.915 1.00 13.94 ? 20 ARG B CD 1
579
+ ATOM 166 N NE . ARG A 1 20 ? -19.958 12.273 -8.997 1.00 14.88 ? 20 ARG B NE 1
580
+ ATOM 167 C CZ . ARG A 1 20 ? -19.251 12.909 -8.065 1.00 16.40 ? 20 ARG B CZ 1
581
+ ATOM 168 N NH1 . ARG A 1 20 ? -19.834 13.358 -6.962 1.00 18.75 ? 20 ARG B NH1 1
582
+ ATOM 169 N NH2 . ARG A 1 20 ? -17.951 13.099 -8.239 1.00 19.75 ? 20 ARG B NH2 1
583
+ ATOM 170 N N . ALA A 1 21 ? -19.822 6.598 -9.618 1.00 8.44 ? 21 ALA B N 1
584
+ ATOM 171 C CA . ALA A 1 21 ? -19.278 5.550 -10.483 1.00 5.58 ? 21 ALA B CA 1
585
+ ATOM 172 C C . ALA A 1 21 ? -20.011 4.212 -10.319 1.00 6.95 ? 21 ALA B C 1
586
+ ATOM 173 O O . ALA A 1 21 ? -20.315 3.544 -11.311 1.00 11.48 ? 21 ALA B O 1
587
+ ATOM 174 C CB . ALA A 1 21 ? -17.792 5.378 -10.220 1.00 7.94 ? 21 ALA B CB 1
588
+ ATOM 175 N N . VAL A 1 22 ? -20.285 3.813 -9.075 1.00 7.83 ? 22 VAL B N 1
589
+ ATOM 176 C CA . VAL A 1 22 ? -21.038 2.586 -8.828 1.00 9.73 ? 22 VAL B CA 1
590
+ ATOM 177 C C . VAL A 1 22 ? -22.408 2.684 -9.502 1.00 11.14 ? 22 VAL B C 1
591
+ ATOM 178 O O . VAL A 1 22 ? -22.836 1.761 -10.199 1.00 12.22 ? 22 VAL B O 1
592
+ ATOM 179 C CB . VAL A 1 22 ? -21.197 2.306 -7.318 1.00 7.79 ? 22 VAL B CB 1
593
+ ATOM 180 C CG1 . VAL A 1 22 ? -22.178 1.165 -7.069 1.00 7.24 ? 22 VAL B CG1 1
594
+ ATOM 181 C CG2 . VAL A 1 22 ? -19.854 1.976 -6.705 1.00 5.62 ? 22 VAL B CG2 1
595
+ ATOM 182 N N . GLN A 1 23 ? -23.066 3.827 -9.317 1.00 8.93 ? 23 GLN B N 1
596
+ ATOM 183 C CA . GLN A 1 23 ? -24.393 4.072 -9.882 1.00 12.39 ? 23 GLN B CA 1
597
+ ATOM 184 C C . GLN A 1 23 ? -24.445 4.115 -11.412 1.00 13.08 ? 23 GLN B C 1
598
+ ATOM 185 O O . GLN A 1 23 ? -25.445 3.732 -11.995 1.00 14.82 ? 23 GLN B O 1
599
+ ATOM 186 C CB . GLN A 1 23 ? -24.961 5.375 -9.326 1.00 11.69 ? 23 GLN B CB 1
600
+ ATOM 187 C CG . GLN A 1 23 ? -25.597 5.231 -7.959 1.00 14.78 ? 23 GLN B CG 1
601
+ ATOM 188 C CD . GLN A 1 23 ? -25.757 6.563 -7.279 1.00 16.91 ? 23 GLN B CD 1
602
+ ATOM 189 O OE1 . GLN A 1 23 ? -25.550 7.612 -7.899 1.00 23.57 ? 23 GLN B OE1 1
603
+ ATOM 190 N NE2 . GLN A 1 23 ? -26.112 6.541 -5.995 1.00 13.58 ? 23 GLN B NE2 1
604
+ ATOM 191 N N . SER A 1 24 ? -23.387 4.603 -12.056 1.00 12.11 ? 24 SER B N 1
605
+ ATOM 192 C CA . SER A 1 24 ? -23.363 4.653 -13.519 1.00 15.03 ? 24 SER B CA 1
606
+ ATOM 193 C C . SER A 1 24 ? -23.176 3.240 -14.063 1.00 13.05 ? 24 SER B C 1
607
+ ATOM 194 O O . SER A 1 24 ? -23.603 2.935 -15.168 1.00 12.59 ? 24 SER B O 1
608
+ ATOM 195 C CB . SER A 1 24 ? -22.219 5.548 -14.016 1.00 13.46 ? 24 SER B CB 1
609
+ ATOM 196 O OG . SER A 1 24 ? -20.963 4.898 -13.875 1.00 15.78 ? 24 SER B OG 1
610
+ ATOM 197 N N . GLY A 1 25 ? -22.515 2.389 -13.277 1.00 16.24 ? 25 GLY B N 1
611
+ ATOM 198 C CA . GLY A 1 25 ? -22.265 1.012 -13.664 1.00 11.89 ? 25 GLY B CA 1
612
+ ATOM 199 C C . GLY A 1 25 ? -21.162 0.832 -14.691 1.00 11.21 ? 25 GLY B C 1
613
+ ATOM 200 O O . GLY A 1 25 ? -20.950 -0.277 -15.175 1.00 17.31 ? 25 GLY B O 1
614
+ ATOM 201 N N . HIS A 1 26 ? -20.460 1.906 -15.041 1.00 9.84 ? 26 HIS B N 1
615
+ ATOM 202 C CA . HIS A 1 26 ? -19.378 1.809 -16.018 1.00 7.38 ? 26 HIS B CA 1
616
+ ATOM 203 C C . HIS A 1 26 ? -18.299 0.795 -15.636 1.00 11.25 ? 26 HIS B C 1
617
+ ATOM 204 O O . HIS A 1 26 ? -17.843 0.752 -14.474 1.00 9.80 ? 26 HIS B O 1
618
+ ATOM 205 C CB . HIS A 1 26 ? -18.737 3.181 -16.239 1.00 13.96 ? 26 HIS B CB 1
619
+ ATOM 206 C CG . HIS A 1 26 ? -19.565 4.110 -17.072 1.00 19.19 ? 26 HIS B CG 1
620
+ ATOM 207 N ND1 . HIS A 1 26 ? -19.832 5.411 -16.697 1.00 18.52 ? 26 HIS B ND1 1
621
+ ATOM 208 C CD2 . HIS A 1 26 ? -20.175 3.931 -18.270 1.00 18.18 ? 26 HIS B CD2 1
622
+ ATOM 209 C CE1 . HIS A 1 26 ? -20.578 5.989 -17.622 1.00 19.07 ? 26 HIS B CE1 1
623
+ ATOM 210 N NE2 . HIS A 1 26 ? -20.802 5.113 -18.587 1.00 21.70 ? 26 HIS B NE2 1
624
+ ATOM 211 N N . VAL A 1 27 ? -17.881 -0.003 -16.621 1.00 6.60 ? 27 VAL B N 1
625
+ ATOM 212 C CA . VAL A 1 27 ? -16.838 -1.006 -16.435 1.00 6.00 ? 27 VAL B CA 1
626
+ ATOM 213 C C . VAL A 1 27 ? -15.534 -0.401 -15.885 1.00 11.65 ? 27 VAL B C 1
627
+ ATOM 214 O O . VAL A 1 27 ? -14.849 -1.036 -15.080 1.00 12.11 ? 27 VAL B O 1
628
+ ATOM 215 C CB . VAL A 1 27 ? -16.606 -1.828 -17.734 1.00 9.84 ? 27 VAL B CB 1
629
+ ATOM 216 C CG1 . VAL A 1 27 ? -15.321 -2.636 -17.669 1.00 12.34 ? 27 VAL B CG1 1
630
+ ATOM 217 C CG2 . VAL A 1 27 ? -17.779 -2.769 -17.970 1.00 8.23 ? 27 VAL B CG2 1
631
+ ATOM 218 N N . ASN A 1 28 ? -15.211 0.839 -16.253 1.00 12.43 ? 28 ASN B N 1
632
+ ATOM 219 C CA . ASN A 1 28 ? -13.910 1.400 -15.858 1.00 11.17 ? 28 ASN B CA 1
633
+ ATOM 220 C C . ASN A 1 28 ? -13.751 1.688 -14.359 1.00 8.86 ? 28 ASN B C 1
634
+ ATOM 221 O O . ASN A 1 28 ? -12.674 2.108 -13.919 1.00 8.46 ? 28 ASN B O 1
635
+ ATOM 222 C CB . ASN A 1 28 ? -13.518 2.626 -16.699 1.00 8.85 ? 28 ASN B CB 1
636
+ ATOM 223 C CG . ASN A 1 28 ? -14.394 3.843 -16.420 1.00 10.64 ? 28 ASN B CG 1
637
+ ATOM 224 O OD1 . ASN A 1 28 ? -15.260 3.825 -15.537 1.00 11.21 ? 28 ASN B OD1 1
638
+ ATOM 225 N ND2 . ASN A 1 28 ? -14.166 4.912 -17.177 1.00 9.92 ? 28 ASN B ND2 1
639
+ ATOM 226 N N . LEU A 1 29 ? -14.814 1.464 -13.585 1.00 8.99 ? 29 LEU B N 1
640
+ ATOM 227 C CA . LEU A 1 29 ? -14.718 1.501 -12.127 1.00 7.62 ? 29 LEU B CA 1
641
+ ATOM 228 C C . LEU A 1 29 ? -13.581 0.577 -11.674 1.00 9.86 ? 29 LEU B C 1
642
+ ATOM 229 O O . LEU A 1 29 ? -12.909 0.837 -10.663 1.00 7.80 ? 29 LEU B O 1
643
+ ATOM 230 C CB . LEU A 1 29 ? -16.046 1.103 -11.460 1.00 6.78 ? 29 LEU B CB 1
644
+ ATOM 231 C CG . LEU A 1 29 ? -16.025 1.068 -9.916 1.00 12.64 ? 29 LEU B CG 1
645
+ ATOM 232 C CD1 . LEU A 1 29 ? -15.469 2.367 -9.349 1.00 6.50 ? 29 LEU B CD1 1
646
+ ATOM 233 C CD2 . LEU A 1 29 ? -17.390 0.799 -9.299 1.00 9.41 ? 29 LEU B CD2 1
647
+ ATOM 234 N N . LYS A 1 30 ? -13.342 -0.484 -12.443 1.00 8.60 ? 30 LYS B N 1
648
+ ATOM 235 C CA . LYS A 1 30 ? -12.277 -1.425 -12.103 1.00 12.21 ? 30 LYS B CA 1
649
+ ATOM 236 C C . LYS A 1 30 ? -10.879 -0.795 -12.128 1.00 11.62 ? 30 LYS B C 1
650
+ ATOM 237 O O . LYS A 1 30 ? -9.982 -1.250 -11.401 1.00 10.86 ? 30 LYS B O 1
651
+ ATOM 238 C CB . LYS A 1 30 ? -12.338 -2.690 -12.973 1.00 10.66 ? 30 LYS B CB 1
652
+ ATOM 239 C CG . LYS A 1 30 ? -12.078 -2.461 -14.454 1.00 11.18 ? 30 LYS B CG 1
653
+ ATOM 240 C CD . LYS A 1 30 ? -12.158 -3.776 -15.229 1.00 13.19 ? 30 LYS B CD 1
654
+ ATOM 241 C CE . LYS A 1 30 ? -11.848 -3.534 -16.694 1.00 24.50 ? 30 LYS B CE 1
655
+ ATOM 242 N NZ . LYS A 1 30 ? -10.568 -2.788 -16.801 1.00 26.59 ? 30 LYS B NZ 1
656
+ ATOM 243 N N . ASP A 1 31 ? -10.687 0.249 -12.933 1.00 9.11 ? 31 ASP B N 1
657
+ ATOM 244 C CA . ASP A 1 31 ? -9.413 0.977 -12.888 1.00 8.82 ? 31 ASP B CA 1
658
+ ATOM 245 C C . ASP A 1 31 ? -9.483 2.144 -11.907 1.00 9.43 ? 31 ASP B C 1
659
+ ATOM 246 O O . ASP A 1 31 ? -8.491 2.473 -11.249 1.00 9.62 ? 31 ASP B O 1
660
+ ATOM 247 C CB . ASP A 1 31 ? -9.016 1.500 -14.273 1.00 14.51 ? 31 ASP B CB 1
661
+ ATOM 248 C CG . ASP A 1 31 ? -8.821 0.388 -15.290 1.00 15.87 ? 31 ASP B CG 1
662
+ ATOM 249 O OD1 . ASP A 1 31 ? -8.428 -0.725 -14.902 1.00 17.46 ? 31 ASP B OD1 1
663
+ ATOM 250 O OD2 . ASP A 1 31 ? -9.072 0.633 -16.488 1.00 23.11 ? 31 ASP B OD2 1
664
+ ATOM 251 N N . ARG A 1 32 ? -10.659 2.765 -11.810 1.00 7.20 ? 32 ARG B N 1
665
+ ATOM 252 C CA . ARG A 1 32 ? -10.838 3.970 -11.000 1.00 8.16 ? 32 ARG B CA 1
666
+ ATOM 253 C C . ARG A 1 32 ? -10.792 3.699 -9.489 1.00 10.77 ? 32 ARG B C 1
667
+ ATOM 254 O O . ARG A 1 32 ? -10.596 4.631 -8.698 1.00 8.36 ? 32 ARG B O 1
668
+ ATOM 255 C CB . ARG A 1 32 ? -12.163 4.668 -11.350 1.00 7.01 ? 32 ARG B CB 1
669
+ ATOM 256 C CG . ARG A 1 32 ? -12.289 5.129 -12.819 1.00 11.44 ? 32 ARG B CG 1
670
+ ATOM 257 C CD . ARG A 1 32 ? -13.583 5.938 -13.022 1.00 6.75 ? 32 ARG B CD 1
671
+ ATOM 258 N NE . ARG A 1 32 ? -13.571 7.133 -12.187 1.00 5.67 ? 32 ARG B NE 1
672
+ ATOM 259 C CZ . ARG A 1 32 ? -14.626 7.907 -11.944 1.00 10.46 ? 32 ARG B CZ 1
673
+ ATOM 260 N NH1 . ARG A 1 32 ? -15.815 7.637 -12.478 1.00 5.84 ? 32 ARG B NH1 1
674
+ ATOM 261 N NH2 . ARG A 1 32 ? -14.483 8.963 -11.158 1.00 12.77 ? 32 ARG B NH2 1
675
+ ATOM 262 N N . LEU A 1 33 ? -10.986 2.436 -9.092 1.00 6.96 ? 33 LEU B N 1
676
+ ATOM 263 C CA . LEU A 1 33 ? -10.970 2.043 -7.673 1.00 5.96 ? 33 LEU B CA 1
677
+ ATOM 264 C C . LEU A 1 33 ? -10.228 0.728 -7.505 1.00 6.39 ? 33 LEU B C 1
678
+ ATOM 265 O O . LEU A 1 33 ? -10.658 -0.309 -8.025 1.00 7.13 ? 33 LEU B O 1
679
+ ATOM 266 C CB . LEU A 1 33 ? -12.395 1.901 -7.105 1.00 8.00 ? 33 LEU B CB 1
680
+ ATOM 267 C CG . LEU A 1 33 ? -12.496 1.483 -5.626 1.00 6.96 ? 33 LEU B CG 1
681
+ ATOM 268 C CD1 . LEU A 1 33 ? -11.924 2.546 -4.728 1.00 3.68 ? 33 LEU B CD1 1
682
+ ATOM 269 C CD2 . LEU A 1 33 ? -13.940 1.171 -5.230 1.00 6.93 ? 33 LEU B CD2 1
683
+ ATOM 270 N N . THR A 1 34 ? -9.099 0.769 -6.798 1.00 5.28 ? 34 THR B N 1
684
+ ATOM 271 C CA . THR A 1 34 ? -8.327 -0.438 -6.542 1.00 4.76 ? 34 THR B CA 1
685
+ ATOM 272 C C . THR A 1 34 ? -7.958 -0.502 -5.063 1.00 7.54 ? 34 THR B C 1
686
+ ATOM 273 O O . THR A 1 34 ? -7.896 0.526 -4.374 1.00 4.42 ? 34 THR B O 1
687
+ ATOM 274 C CB . THR A 1 34 ? -7.035 -0.472 -7.366 1.00 5.01 ? 34 THR B CB 1
688
+ ATOM 275 O OG1 . THR A 1 34 ? -6.117 0.485 -6.824 1.00 4.92 ? 34 THR B OG1 1
689
+ ATOM 276 C CG2 . THR A 1 34 ? -7.314 -0.140 -8.848 1.00 4.66 ? 34 THR B CG2 1
690
+ ATOM 277 N N . ILE A 1 35 ? -7.714 -1.722 -4.591 1.00 6.44 ? 35 ILE B N 1
691
+ ATOM 278 C CA . ILE A 1 35 ? -7.375 -1.958 -3.211 1.00 6.57 ? 35 ILE B CA 1
692
+ ATOM 279 C C . ILE A 1 35 ? -6.084 -2.758 -3.148 1.00 6.74 ? 35 ILE B C 1
693
+ ATOM 280 O O . ILE A 1 35 ? -5.927 -3.775 -3.837 1.00 7.93 ? 35 ILE B O 1
694
+ ATOM 281 C CB . ILE A 1 35 ? -8.491 -2.734 -2.494 1.00 5.43 ? 35 ILE B CB 1
695
+ ATOM 282 C CG1 . ILE A 1 35 ? -9.773 -1.902 -2.450 1.00 3.60 ? 35 ILE B CG1 1
696
+ ATOM 283 C CG2 . ILE A 1 35 ? -8.075 -3.092 -1.077 1.00 3.27 ? 35 ILE B CG2 1
697
+ ATOM 284 C CD1 . ILE A 1 35 ? -10.935 -2.646 -1.799 1.00 3.53 ? 35 ILE B CD1 1
698
+ ATOM 285 N N . GLU A 1 36 ? -5.150 -2.290 -2.337 1.00 4.30 ? 36 GLU B N 1
699
+ ATOM 286 C CA . GLU A 1 36 ? -3.927 -3.035 -2.120 1.00 6.80 ? 36 GLU B CA 1
700
+ ATOM 287 C C . GLU A 1 36 ? -3.805 -3.279 -0.627 1.00 7.78 ? 36 GLU B C 1
701
+ ATOM 288 O O . GLU A 1 36 ? -3.909 -2.343 0.160 1.00 6.10 ? 36 GLU B O 1
702
+ ATOM 289 C CB . GLU A 1 36 ? -2.714 -2.262 -2.645 1.00 6.96 ? 36 GLU B CB 1
703
+ ATOM 290 C CG . GLU A 1 36 ? -1.371 -2.843 -2.189 1.00 8.91 ? 36 GLU B CG 1
704
+ ATOM 291 C CD . GLU A 1 36 ? -0.172 -2.045 -2.703 1.00 10.96 ? 36 GLU B CD 1
705
+ ATOM 292 O OE1 . GLU A 1 36 ? -0.384 -0.976 -3.329 1.00 14.23 ? 36 GLU B OE1 1
706
+ ATOM 293 O OE2 . GLU A 1 36 ? 0.984 -2.487 -2.476 1.00 16.93 ? 36 GLU B OE2 1
707
+ ATOM 294 N N . LEU A 1 37 ? -3.620 -4.537 -0.237 1.00 7.48 ? 37 LEU B N 1
708
+ ATOM 295 C CA . LEU A 1 37 ? -3.413 -4.866 1.160 1.00 10.64 ? 37 LEU B CA 1
709
+ ATOM 296 C C . LEU A 1 37 ? -1.952 -5.221 1.366 1.00 8.28 ? 37 LEU B C 1
710
+ ATOM 297 O O . LEU A 1 37 ? -1.391 -5.999 0.597 1.00 8.83 ? 37 LEU B O 1
711
+ ATOM 298 C CB . LEU A 1 37 ? -4.319 -6.025 1.580 1.00 6.46 ? 37 LEU B CB 1
712
+ ATOM 299 C CG . LEU A 1 37 ? -5.792 -5.648 1.500 1.00 7.31 ? 37 LEU B CG 1
713
+ ATOM 300 C CD1 . LEU A 1 37 ? -6.688 -6.817 1.900 1.00 9.39 ? 37 LEU B CD1 1
714
+ ATOM 301 C CD2 . LEU A 1 37 ? -6.060 -4.431 2.382 1.00 7.91 ? 37 LEU B CD2 1
715
+ ATOM 302 N N . HIS A 1 38 ? -1.334 -4.640 2.390 1.00 7.92 ? 38 HIS B N 1
716
+ ATOM 303 C CA . HIS A 1 38 ? 0.064 -4.915 2.681 1.00 9.34 ? 38 HIS B CA 1
717
+ ATOM 304 C C . HIS A 1 38 ? 0.223 -6.267 3.376 1.00 9.24 ? 38 HIS B C 1
718
+ ATOM 305 O O . HIS A 1 38 ? -0.746 -6.791 3.917 1.00 9.46 ? 38 HIS B O 1
719
+ ATOM 306 C CB . HIS A 1 38 ? 0.644 -3.798 3.541 1.00 9.23 ? 38 HIS B CB 1
720
+ ATOM 307 C CG . HIS A 1 38 ? 0.694 -2.478 2.851 1.00 7.86 ? 38 HIS B CG 1
721
+ ATOM 308 N ND1 . HIS A 1 38 ? 0.936 -2.352 1.499 1.00 11.49 ? 38 HIS B ND1 1
722
+ ATOM 309 C CD2 . HIS A 1 38 ? 0.533 -1.218 3.323 1.00 8.61 ? 38 HIS B CD2 1
723
+ ATOM 310 C CE1 . HIS A 1 38 ? 0.932 -1.073 1.170 1.00 11.50 ? 38 HIS B CE1 1
724
+ ATOM 311 N NE2 . HIS A 1 38 ? 0.692 -0.363 2.262 1.00 12.98 ? 38 HIS B NE2 1
725
+ ATOM 312 N N . PRO A 1 39 ? 1.451 -6.835 3.358 1.00 13.08 ? 39 PRO B N 1
726
+ ATOM 313 C CA . PRO A 1 39 ? 1.701 -8.155 3.955 1.00 15.51 ? 39 PRO B CA 1
727
+ ATOM 314 C C . PRO A 1 39 ? 1.257 -8.305 5.416 1.00 9.83 ? 39 PRO B C 1
728
+ ATOM 315 O O . PRO A 1 39 ? 0.927 -9.426 5.794 1.00 13.51 ? 39 PRO B O 1
729
+ ATOM 316 C CB . PRO A 1 39 ? 3.232 -8.306 3.855 1.00 11.70 ? 39 PRO B CB 1
730
+ ATOM 317 C CG . PRO A 1 39 ? 3.610 -7.484 2.674 1.00 11.04 ? 39 PRO B CG 1
731
+ ATOM 318 C CD . PRO A 1 39 ? 2.658 -6.305 2.685 1.00 11.16 ? 39 PRO B CD 1
732
+ ATOM 319 N N . ASP A 1 40 ? 1.244 -7.237 6.214 1.00 12.07 ? 40 ASP B N 1
733
+ ATOM 320 C CA . ASP A 1 40 ? 0.860 -7.366 7.634 1.00 13.92 ? 40 ASP B CA 1
734
+ ATOM 321 C C . ASP A 1 40 ? -0.630 -7.656 7.882 1.00 13.43 ? 40 ASP B C 1
735
+ ATOM 322 O O . ASP A 1 40 ? -1.032 -7.908 9.015 1.00 19.72 ? 40 ASP B O 1
736
+ ATOM 323 C CB . ASP A 1 40 ? 1.316 -6.156 8.476 1.00 8.38 ? 40 ASP B CB 1
737
+ ATOM 324 C CG . ASP A 1 40 ? 0.590 -4.850 8.112 1.00 15.54 ? 40 ASP B CG 1
738
+ ATOM 325 O OD1 . ASP A 1 40 ? -0.391 -4.867 7.330 1.00 13.60 ? 40 ASP B OD1 1
739
+ ATOM 326 O OD2 . ASP A 1 40 ? 1.012 -3.788 8.627 1.00 17.93 ? 40 ASP B OD2 1
740
+ ATOM 327 N N . GLY A 1 41 ? -1.444 -7.597 6.836 1.00 11.90 ? 41 GLY B N 1
741
+ ATOM 328 C CA . GLY A 1 41 ? -2.866 -7.887 6.962 1.00 14.02 ? 41 GLY B CA 1
742
+ ATOM 329 C C . GLY A 1 41 ? -3.698 -6.800 7.640 1.00 11.76 ? 41 GLY B C 1
743
+ ATOM 330 O O . GLY A 1 41 ? -4.889 -6.985 7.907 1.00 13.66 ? 41 GLY B O 1
744
+ ATOM 331 N N . ARG A 1 42 ? -3.088 -5.656 7.916 1.00 8.28 ? 42 ARG B N 1
745
+ ATOM 332 C CA . ARG A 1 42 ? -3.811 -4.598 8.608 1.00 11.88 ? 42 ARG B CA 1
746
+ ATOM 333 C C . ARG A 1 42 ? -3.766 -3.256 7.871 1.00 11.21 ? 42 ARG B C 1
747
+ ATOM 334 O O . ARG A 1 42 ? -4.694 -2.449 7.984 1.00 11.31 ? 42 ARG B O 1
748
+ ATOM 335 C CB . ARG A 1 42 ? -3.295 -4.437 10.044 1.00 12.51 ? 42 ARG B CB 1
749
+ ATOM 336 C CG . ARG A 1 42 ? -3.774 -5.520 11.011 1.00 16.77 ? 42 ARG B CG 1
750
+ ATOM 337 C CD . ARG A 1 42 ? -5.276 -5.429 11.272 1.00 15.39 ? 42 ARG B CD 1
751
+ ATOM 338 N NE . ARG A 1 42 ? -5.741 -6.442 12.214 1.00 9.79 ? 42 ARG B NE 1
752
+ ATOM 339 C CZ . ARG A 1 42 ? -7.022 -6.688 12.475 1.00 12.27 ? 42 ARG B CZ 1
753
+ ATOM 340 N NH1 . ARG A 1 42 ? -7.977 -5.993 11.863 1.00 9.69 ? 42 ARG B NH1 1
754
+ ATOM 341 N NH2 . ARG A 1 42 ? -7.355 -7.632 13.346 1.00 8.64 ? 42 ARG B NH2 1
755
+ ATOM 342 N N . HIS A 1 43 ? -2.690 -3.003 7.137 1.00 6.60 ? 43 HIS B N 1
756
+ ATOM 343 C CA . HIS A 1 43 ? -2.573 -1.730 6.437 1.00 9.71 ? 43 HIS B CA 1
757
+ ATOM 344 C C . HIS A 1 43 ? -2.697 -1.940 4.933 1.00 8.42 ? 43 HIS B C 1
758
+ ATOM 345 O O . HIS A 1 43 ? -2.453 -3.044 4.421 1.00 6.84 ? 43 HIS B O 1
759
+ ATOM 346 C CB . HIS A 1 43 ? -1.249 -1.035 6.769 1.00 12.59 ? 43 HIS B CB 1
760
+ ATOM 347 C CG . HIS A 1 43 ? -1.096 -0.682 8.216 1.00 15.42 ? 43 HIS B CG 1
761
+ ATOM 348 N ND1 . HIS A 1 43 ? -0.345 -1.440 9.093 1.00 14.83 ? 43 HIS B ND1 1
762
+ ATOM 349 C CD2 . HIS A 1 43 ? -1.598 0.347 8.941 1.00 17.64 ? 43 HIS B CD2 1
763
+ ATOM 350 C CE1 . HIS A 1 43 ? -0.391 -0.890 10.295 1.00 17.82 ? 43 HIS B CE1 1
764
+ ATOM 351 N NE2 . HIS A 1 43 ? -1.141 0.197 10.230 1.00 23.39 ? 43 HIS B NE2 1
765
+ ATOM 352 N N . GLY A 1 44 ? -3.064 -0.883 4.220 1.00 5.30 ? 44 GLY B N 1
766
+ ATOM 353 C CA . GLY A 1 44 ? -3.244 -1.005 2.789 1.00 6.97 ? 44 GLY B CA 1
767
+ ATOM 354 C C . GLY A 1 44 ? -3.398 0.349 2.145 1.00 8.71 ? 44 GLY B C 1
768
+ ATOM 355 O O . GLY A 1 44 ? -3.284 1.376 2.828 1.00 7.30 ? 44 GLY B O 1
769
+ ATOM 356 N N . ILE A 1 45 ? -3.656 0.347 0.834 1.00 7.97 ? 45 ILE B N 1
770
+ ATOM 357 C CA . ILE A 1 45 ? -3.827 1.565 0.066 1.00 4.81 ? 45 ILE B CA 1
771
+ ATOM 358 C C . ILE A 1 45 ? -5.032 1.409 -0.846 1.00 7.42 ? 45 ILE B C 1
772
+ ATOM 359 O O . ILE A 1 45 ? -5.098 0.478 -1.662 1.00 7.04 ? 45 ILE B O 1
773
+ ATOM 360 C CB . ILE A 1 45 ? -2.599 1.833 -0.824 1.00 9.32 ? 45 ILE B CB 1
774
+ ATOM 361 C CG1 . ILE A 1 45 ? -1.339 2.048 0.025 1.00 7.60 ? 45 ILE B CG1 1
775
+ ATOM 362 C CG2 . ILE A 1 45 ? -2.850 3.029 -1.748 1.00 6.83 ? 45 ILE B CG2 1
776
+ ATOM 363 C CD1 . ILE A 1 45 ? -0.031 2.020 -0.802 1.00 7.90 ? 45 ILE B CD1 1
777
+ ATOM 364 N N . VAL A 1 46 ? -5.987 2.319 -0.722 1.00 5.38 ? 46 VAL B N 1
778
+ ATOM 365 C CA . VAL A 1 46 ? -7.088 2.355 -1.663 1.00 7.31 ? 46 VAL B CA 1
779
+ ATOM 366 C C . VAL A 1 46 ? -6.827 3.496 -2.642 1.00 5.43 ? 46 VAL B C 1
780
+ ATOM 367 O O . VAL A 1 46 ? -6.443 4.591 -2.229 1.00 4.73 ? 46 VAL B O 1
781
+ ATOM 368 C CB . VAL A 1 46 ? -8.435 2.538 -0.950 1.00 6.38 ? 46 VAL B CB 1
782
+ ATOM 369 C CG1 . VAL A 1 46 ? -9.575 2.556 -1.958 1.00 4.82 ? 46 VAL B CG1 1
783
+ ATOM 370 C CG2 . VAL A 1 46 ? -8.648 1.417 0.054 1.00 5.69 ? 46 VAL B CG2 1
784
+ ATOM 371 N N . ARG A 1 47 ? -7.001 3.230 -3.936 1.00 4.64 ? 47 ARG B N 1
785
+ ATOM 372 C CA . ARG A 1 47 ? -6.740 4.243 -4.960 1.00 6.47 ? 47 ARG B CA 1
786
+ ATOM 373 C C . ARG A 1 47 ? -8.016 4.659 -5.694 1.00 5.52 ? 47 ARG B C 1
787
+ ATOM 374 O O . ARG A 1 47 ? -8.730 3.823 -6.238 1.00 4.71 ? 47 ARG B O 1
788
+ ATOM 375 C CB . ARG A 1 47 ? -5.675 3.750 -5.952 1.00 6.28 ? 47 ARG B CB 1
789
+ ATOM 376 C CG . ARG A 1 47 ? -4.252 3.764 -5.390 1.00 9.71 ? 47 ARG B CG 1
790
+ ATOM 377 C CD . ARG A 1 47 ? -3.261 3.058 -6.336 1.00 11.60 ? 47 ARG B CD 1
791
+ ATOM 378 N NE . ARG A 1 47 ? -1.880 3.163 -5.858 1.00 17.40 ? 47 ARG B NE 1
792
+ ATOM 379 C CZ . ARG A 1 47 ? -1.279 2.267 -5.075 1.00 16.92 ? 47 ARG B CZ 1
793
+ ATOM 380 N NH1 . ARG A 1 47 ? -1.931 1.184 -4.651 1.00 12.97 ? 47 ARG B NH1 1
794
+ ATOM 381 N NH2 . ARG A 1 47 ? -0.020 2.450 -4.711 1.00 18.26 ? 47 ARG B NH2 1
795
+ ATOM 382 N N . VAL A 1 48 ? -8.306 5.954 -5.680 1.00 8.33 ? 48 VAL B N 1
796
+ ATOM 383 C CA . VAL A 1 48 ? -9.478 6.493 -6.360 1.00 6.54 ? 48 VAL B CA 1
797
+ ATOM 384 C C . VAL A 1 48 ? -8.923 7.382 -7.467 1.00 10.41 ? 48 VAL B C 1
798
+ ATOM 385 O O . VAL A 1 48 ? -8.236 8.367 -7.182 1.00 9.91 ? 48 VAL B O 1
799
+ ATOM 386 C CB . VAL A 1 48 ? -10.372 7.267 -5.375 1.00 8.42 ? 48 VAL B CB 1
800
+ ATOM 387 C CG1 . VAL A 1 48 ? -11.653 7.771 -6.041 1.00 5.68 ? 48 VAL B CG1 1
801
+ ATOM 388 C CG2 . VAL A 1 48 ? -10.717 6.370 -4.167 1.00 6.06 ? 48 VAL B CG2 1
802
+ ATOM 389 N N . ASP A 1 49 ? -9.166 6.993 -8.723 1.00 10.45 ? 49 ASP B N 1
803
+ ATOM 390 C CA . ASP A 1 49 ? -8.600 7.689 -9.879 1.00 9.06 ? 49 ASP B CA 1
804
+ ATOM 391 C C . ASP A 1 49 ? -7.098 7.902 -9.712 1.00 11.23 ? 49 ASP B C 1
805
+ ATOM 392 O O . ASP A 1 49 ? -6.592 9.006 -9.926 1.00 13.31 ? 49 ASP B O 1
806
+ ATOM 393 C CB . ASP A 1 49 ? -9.328 9.016 -10.125 1.00 11.23 ? 49 ASP B CB 1
807
+ ATOM 394 C CG . ASP A 1 49 ? -10.786 8.813 -10.571 1.00 14.71 ? 49 ASP B CG 1
808
+ ATOM 395 O OD1 . ASP A 1 49 ? -11.080 7.736 -11.126 1.00 13.84 ? 49 ASP B OD1 1
809
+ ATOM 396 O OD2 . ASP A 1 49 ? -11.640 9.721 -10.379 1.00 17.19 ? 49 ASP B OD2 1
810
+ ATOM 397 N N . ARG A 1 50 ? -6.411 6.835 -9.293 1.00 9.89 ? 50 ARG B N 1
811
+ ATOM 398 C CA . ARG A 1 50 ? -4.956 6.825 -9.047 1.00 13.62 ? 50 ARG B CA 1
812
+ ATOM 399 C C . ARG A 1 50 ? -4.468 7.561 -7.776 1.00 10.44 ? 50 ARG B C 1
813
+ ATOM 400 O O . ARG A 1 50 ? -3.276 7.542 -7.464 1.00 12.05 ? 50 ARG B O 1
814
+ ATOM 401 C CB . ARG A 1 50 ? -4.155 7.260 -10.292 1.00 12.39 ? 50 ARG B CB 1
815
+ ATOM 402 C CG . ARG A 1 50 ? -4.449 6.417 -11.538 1.00 14.85 ? 50 ARG B CG 1
816
+ ATOM 403 C CD . ARG A 1 50 ? -3.617 6.851 -12.769 1.00 15.74 ? 50 ARG B CD 1
817
+ ATOM 404 N NE . ARG A 1 50 ? -2.187 6.855 -12.484 1.00 23.79 ? 50 ARG B NE 1
818
+ ATOM 405 C CZ . ARG A 1 50 ? -1.401 7.920 -12.595 1.00 17.71 ? 50 ARG B CZ 1
819
+ ATOM 406 N NH1 . ARG A 1 50 ? -1.891 9.077 -13.017 1.00 18.96 ? 50 ARG B NH1 1
820
+ ATOM 407 N NH2 . ARG A 1 50 ? -0.117 7.823 -12.295 1.00 29.26 ? 50 ARG B NH2 1
821
+ ATOM 408 N N . VAL A 1 51 ? -5.381 8.172 -7.027 1.00 9.06 ? 51 VAL B N 1
822
+ ATOM 409 C CA . VAL A 1 51 ? -4.999 8.877 -5.804 1.00 7.41 ? 51 VAL B CA 1
823
+ ATOM 410 C C . VAL A 1 51 ? -4.962 7.910 -4.620 1.00 9.08 ? 51 VAL B C 1
824
+ ATOM 411 O O . VAL A 1 51 ? -5.982 7.334 -4.247 1.00 8.76 ? 51 VAL B O 1
825
+ ATOM 412 C CB . VAL A 1 51 ? -5.957 10.041 -5.505 1.00 12.98 ? 51 VAL B CB 1
826
+ ATOM 413 C CG1 . VAL A 1 51 ? -5.569 10.735 -4.204 1.00 7.83 ? 51 VAL B CG1 1
827
+ ATOM 414 C CG2 . VAL A 1 51 ? -5.941 11.034 -6.672 1.00 10.87 ? 51 VAL B CG2 1
828
+ ATOM 415 N N . PRO A 1 52 ? -3.772 7.714 -4.042 1.00 11.09 ? 52 PRO B N 1
829
+ ATOM 416 C CA . PRO A 1 52 ? -3.595 6.719 -2.978 1.00 9.65 ? 52 PRO B CA 1
830
+ ATOM 417 C C . PRO A 1 52 ? -4.083 7.221 -1.622 1.00 9.89 ? 52 PRO B C 1
831
+ ATOM 418 O O . PRO A 1 52 ? -3.704 8.316 -1.204 1.00 11.51 ? 52 PRO B O 1
832
+ ATOM 419 C CB . PRO A 1 52 ? -2.071 6.496 -2.967 1.00 9.04 ? 52 PRO B CB 1
833
+ ATOM 420 C CG . PRO A 1 52 ? -1.498 7.778 -3.454 1.00 9.36 ? 52 PRO B CG 1
834
+ ATOM 421 C CD . PRO A 1 52 ? -2.494 8.339 -4.445 1.00 8.07 ? 52 PRO B CD 1
835
+ ATOM 422 N N . LEU A 1 53 ? -4.932 6.437 -0.956 1.00 8.43 ? 53 LEU B N 1
836
+ ATOM 423 C CA . LEU A 1 53 ? -5.380 6.763 0.396 1.00 9.81 ? 53 LEU B CA 1
837
+ ATOM 424 C C . LEU A 1 53 ? -4.857 5.725 1.390 1.00 9.34 ? 53 LEU B C 1
838
+ ATOM 425 O O . LEU A 1 53 ? -5.101 4.520 1.223 1.00 8.22 ? 53 LEU B O 1
839
+ ATOM 426 C CB . LEU A 1 53 ? -6.917 6.794 0.463 1.00 9.35 ? 53 LEU B CB 1
840
+ ATOM 427 C CG . LEU A 1 53 ? -7.670 7.670 -0.551 1.00 9.81 ? 53 LEU B CG 1
841
+ ATOM 428 C CD1 . LEU A 1 53 ? -9.185 7.406 -0.555 1.00 7.12 ? 53 LEU B CD1 1
842
+ ATOM 429 C CD2 . LEU A 1 53 ? -7.393 9.138 -0.278 1.00 9.78 ? 53 LEU B CD2 1
843
+ ATOM 430 N N . ALA A 1 54 ? -4.156 6.185 2.427 1.00 8.44 ? 54 ALA B N 1
844
+ ATOM 431 C CA . ALA A 1 54 ? -3.696 5.299 3.497 1.00 8.22 ? 54 ALA B CA 1
845
+ ATOM 432 C C . ALA A 1 54 ? -4.874 4.565 4.123 1.00 9.66 ? 54 ALA B C 1
846
+ ATOM 433 O O . ALA A 1 54 ? -5.859 5.189 4.526 1.00 10.44 ? 54 ALA B O 1
847
+ ATOM 434 C CB . ALA A 1 54 ? -2.950 6.090 4.562 1.00 8.25 ? 54 ALA B CB 1
848
+ ATOM 435 N N . SER A 1 55 ? -4.780 3.242 4.228 1.00 7.83 ? 55 SER B N 1
849
+ ATOM 436 C CA . SER A 1 55 ? -5.923 2.486 4.723 1.00 8.17 ? 55 SER B CA 1
850
+ ATOM 437 C C . SER A 1 55 ? -5.557 1.475 5.788 1.00 8.10 ? 55 SER B C 1
851
+ ATOM 438 O O . SER A 1 55 ? -4.430 0.957 5.816 1.00 6.95 ? 55 SER B O 1
852
+ ATOM 439 C CB . SER A 1 55 ? -6.650 1.786 3.576 1.00 5.83 ? 55 SER B CB 1
853
+ ATOM 440 O OG . SER A 1 55 ? -7.027 2.719 2.582 1.00 8.37 ? 55 SER B OG 1
854
+ ATOM 441 N N . LYS A 1 56 ? -6.541 1.182 6.636 1.00 4.73 ? 56 LYS B N 1
855
+ ATOM 442 C CA . LYS A 1 56 ? -6.359 0.333 7.794 1.00 6.80 ? 56 LYS B CA 1
856
+ ATOM 443 C C . LYS A 1 56 ? -7.561 -0.607 7.884 1.00 6.40 ? 56 LYS B C 1
857
+ ATOM 444 O O . LYS A 1 56 ? -8.709 -0.159 7.784 1.00 6.57 ? 56 LYS B O 1
858
+ ATOM 445 C CB . LYS A 1 56 ? -6.294 1.229 9.031 1.00 11.66 ? 56 LYS B CB 1
859
+ ATOM 446 C CG . LYS A 1 56 ? -5.739 0.607 10.292 1.00 23.79 ? 56 LYS B CG 1
860
+ ATOM 447 C CD . LYS A 1 56 ? -5.536 1.689 11.366 1.00 21.80 ? 56 LYS B CD 1
861
+ ATOM 448 C CE . LYS A 1 56 ? -4.681 2.832 10.827 1.00 29.36 ? 56 LYS B CE 1
862
+ ATOM 449 N NZ . LYS A 1 56 ? -3.745 3.395 11.859 1.00 35.88 ? 56 LYS B NZ 1
863
+ ATOM 450 N N . LEU A 1 57 ? -7.311 -1.905 8.056 1.00 5.16 ? 57 LEU B N 1
864
+ ATOM 451 C CA . LEU A 1 57 ? -8.396 -2.880 8.237 1.00 8.21 ? 57 LEU B CA 1
865
+ ATOM 452 C C . LEU A 1 57 ? -8.728 -3.026 9.720 1.00 7.63 ? 57 LEU B C 1
866
+ ATOM 453 O O . LEU A 1 57 ? -7.887 -3.486 10.496 1.00 6.31 ? 57 LEU B O 1
867
+ ATOM 454 C CB . LEU A 1 57 ? -8.002 -4.253 7.666 1.00 7.48 ? 57 LEU B CB 1
868
+ ATOM 455 C CG . LEU A 1 57 ? -9.071 -5.358 7.693 1.00 9.24 ? 57 LEU B CG 1
869
+ ATOM 456 C CD1 . LEU A 1 57 ? -10.240 -5.025 6.742 1.00 5.26 ? 57 LEU B CD1 1
870
+ ATOM 457 C CD2 . LEU A 1 57 ? -8.464 -6.723 7.354 1.00 8.94 ? 57 LEU B CD2 1
871
+ ATOM 458 N N . VAL A 1 58 ? -9.943 -2.637 10.115 1.00 8.10 ? 58 VAL B N 1
872
+ ATOM 459 C CA . VAL A 1 58 ? -10.321 -2.657 11.530 1.00 6.69 ? 58 VAL B CA 1
873
+ ATOM 460 C C . VAL A 1 58 ? -11.413 -3.675 11.848 1.00 7.68 ? 58 VAL B C 1
874
+ ATOM 461 O O . VAL A 1 58 ? -12.201 -4.057 10.974 1.00 6.76 ? 58 VAL B O 1
875
+ ATOM 462 C CB . VAL A 1 58 ? -10.723 -1.254 12.044 1.00 9.34 ? 58 VAL B CB 1
876
+ ATOM 463 C CG1 . VAL A 1 58 ? -9.606 -0.269 11.762 1.00 6.91 ? 58 VAL B CG1 1
877
+ ATOM 464 C CG2 . VAL A 1 58 ? -12.053 -0.787 11.410 1.00 6.50 ? 58 VAL B CG2 1
878
+ ATOM 465 N N . ASP A 1 59 ? -11.445 -4.104 13.110 1.00 9.08 ? 59 ASP B N 1
879
+ ATOM 466 C CA . ASP A 1 59 ? -12.400 -5.094 13.599 1.00 7.81 ? 59 ASP B CA 1
880
+ ATOM 467 C C . ASP A 1 59 ? -13.642 -4.455 14.243 1.00 9.60 ? 59 ASP B C 1
881
+ ATOM 468 O O . ASP A 1 59 ? -13.564 -3.837 15.316 1.00 9.78 ? 59 ASP B O 1
882
+ ATOM 469 C CB . ASP A 1 59 ? -11.716 -6.046 14.609 1.00 8.36 ? 59 ASP B CB 1
883
+ ATOM 470 C CG . ASP A 1 59 ? -10.625 -6.912 13.969 1.00 11.18 ? 59 ASP B CG 1
884
+ ATOM 471 O OD1 . ASP A 1 59 ? -10.561 -7.001 12.722 1.00 11.04 ? 59 ASP B OD1 1
885
+ ATOM 472 O OD2 . ASP A 1 59 ? -9.829 -7.524 14.714 1.00 13.94 ? 59 ASP B OD2 1
886
+ ATOM 473 N N . LEU A 1 60 ? -14.790 -4.628 13.593 1.00 6.80 ? 60 LEU B N 1
887
+ ATOM 474 C CA . LEU A 1 60 ? -16.052 -4.086 14.075 1.00 5.71 ? 60 LEU B CA 1
888
+ ATOM 475 C C . LEU A 1 60 ? -16.544 -4.883 15.295 1.00 8.81 ? 60 LEU B C 1
889
+ ATOM 476 O O . LEU A 1 60 ? -16.321 -6.094 15.386 1.00 8.33 ? 60 LEU B O 1
890
+ ATOM 477 C CB . LEU A 1 60 ? -17.089 -4.131 12.947 1.00 7.64 ? 60 LEU B CB 1
891
+ ATOM 478 C CG . LEU A 1 60 ? -16.815 -3.245 11.726 1.00 9.10 ? 60 LEU B CG 1
892
+ ATOM 479 C CD1 . LEU A 1 60 ? -17.854 -3.470 10.608 1.00 5.22 ? 60 LEU B CD1 1
893
+ ATOM 480 C CD2 . LEU A 1 60 ? -16.793 -1.775 12.152 1.00 6.89 ? 60 LEU B CD2 1
894
+ ATOM 481 N N . PRO A 1 61 ? -17.213 -4.209 16.240 1.00 6.73 ? 61 PRO B N 1
895
+ ATOM 482 C CA . PRO A 1 61 ? -17.682 -4.862 17.473 1.00 10.61 ? 61 PRO B CA 1
896
+ ATOM 483 C C . PRO A 1 61 ? -18.918 -5.744 17.252 1.00 8.06 ? 61 PRO B C 1
897
+ ATOM 484 O O . PRO A 1 61 ? -18.993 -6.832 17.823 1.00 8.88 ? 61 PRO B O 1
898
+ ATOM 485 C CB . PRO A 1 61 ? -18.044 -3.674 18.371 1.00 10.14 ? 61 PRO B CB 1
899
+ ATOM 486 C CG . PRO A 1 61 ? -18.472 -2.603 17.392 1.00 10.63 ? 61 PRO B CG 1
900
+ ATOM 487 C CD . PRO A 1 61 ? -17.584 -2.783 16.186 1.00 8.50 ? 61 PRO B CD 1
901
+ ATOM 488 N N . CYS A 1 62 ? -19.863 -5.295 16.429 1.00 9.08 ? 62 CYS B N 1
902
+ ATOM 489 C CA . CYS A 1 62 ? -21.102 -6.049 16.233 1.00 10.57 ? 62 CYS B CA 1
903
+ ATOM 490 C C . CYS A 1 62 ? -21.019 -7.004 15.061 1.00 10.50 ? 62 CYS B C 1
904
+ ATOM 491 O O . CYS A 1 62 ? -20.424 -6.676 14.033 1.00 9.40 ? 62 CYS B O 1
905
+ ATOM 492 C CB . CYS A 1 62 ? -22.274 -5.098 16.014 1.00 10.65 ? 62 CYS B CB 1
906
+ ATOM 493 S SG . CYS A 1 62 ? -22.587 -4.095 17.469 1.00 13.28 ? 62 CYS B SG 1
907
+ ATOM 494 N N . VAL A 1 63 ? -21.610 -8.189 15.198 1.00 9.07 ? 63 VAL B N 1
908
+ ATOM 495 C CA . VAL A 1 63 ? -21.749 -9.013 14.012 1.00 8.34 ? 63 VAL B CA 1
909
+ ATOM 496 C C . VAL A 1 63 ? -22.801 -8.398 13.097 1.00 7.70 ? 63 VAL B C 1
910
+ ATOM 497 O O . VAL A 1 63 ? -23.854 -7.937 13.533 1.00 8.22 ? 63 VAL B O 1
911
+ ATOM 498 C CB . VAL A 1 63 ? -21.977 -10.528 14.289 1.00 8.81 ? 63 VAL B CB 1
912
+ ATOM 499 C CG1 . VAL A 1 63 ? -22.279 -10.792 15.728 1.00 12.47 ? 63 VAL B CG1 1
913
+ ATOM 500 C CG2 . VAL A 1 63 ? -23.042 -11.094 13.372 1.00 9.67 ? 63 VAL B CG2 1
914
+ ATOM 501 N N . MET A 1 64 ? -22.474 -8.354 11.821 1.00 7.57 ? 64 MET B N 1
915
+ ATOM 502 C CA . MET A 1 64 ? -23.353 -7.778 10.836 1.00 7.93 ? 64 MET B CA 1
916
+ ATOM 503 C C . MET A 1 64 ? -23.562 -8.824 9.746 1.00 9.03 ? 64 MET B C 1
917
+ ATOM 504 O O . MET A 1 64 ? -22.611 -9.489 9.325 1.00 13.93 ? 64 MET B O 1
918
+ ATOM 505 C CB . MET A 1 64 ? -22.698 -6.510 10.291 1.00 7.76 ? 64 MET B CB 1
919
+ ATOM 506 C CG . MET A 1 64 ? -23.532 -5.711 9.321 1.00 16.52 ? 64 MET B CG 1
920
+ ATOM 507 S SD . MET A 1 64 ? -22.633 -4.187 8.919 1.00 33.16 ? 64 MET B SD 1
921
+ ATOM 508 C CE . MET A 1 64 ? -22.211 -3.668 10.551 1.00 19.82 ? 64 MET B CE 1
922
+ ATOM 509 N N . GLU A 1 65 ? -24.808 -9.013 9.328 1.00 12.13 ? 65 GLU B N 1
923
+ ATOM 510 C CA . GLU A 1 65 ? -25.132 -9.962 8.256 1.00 9.00 ? 65 GLU B CA 1
924
+ ATOM 511 C C . GLU A 1 65 ? -25.527 -9.188 7.028 1.00 7.58 ? 65 GLU B C 1
925
+ ATOM 512 O O . GLU A 1 65 ? -26.173 -8.140 7.152 1.00 7.73 ? 65 GLU B O 1
926
+ ATOM 513 C CB . GLU A 1 65 ? -26.324 -10.844 8.666 1.00 6.58 ? 65 GLU B CB 1
927
+ ATOM 514 C CG . GLU A 1 65 ? -26.025 -11.744 9.851 1.00 12.98 ? 65 GLU B CG 1
928
+ ATOM 515 C CD . GLU A 1 65 ? -27.208 -12.598 10.287 1.00 17.68 ? 65 GLU B CD 1
929
+ ATOM 516 O OE1 . GLU A 1 65 ? -28.371 -12.142 10.139 1.00 15.14 ? 65 GLU B OE1 1
930
+ ATOM 517 O OE2 . GLU A 1 65 ? -26.962 -13.719 10.805 1.00 15.30 ? 65 GLU B OE2 1
931
+ ATOM 518 N N . SER A 1 66 ? -25.150 -9.687 5.850 1.00 5.34 ? 66 SER B N 1
932
+ ATOM 519 C CA . SER A 1 66 ? -25.786 -9.224 4.621 1.00 6.11 ? 66 SER B CA 1
933
+ ATOM 520 C C . SER A 1 66 ? -26.804 -10.269 4.208 1.00 5.05 ? 66 SER B C 1
934
+ ATOM 521 O O . SER A 1 66 ? -26.512 -11.471 4.204 1.00 5.42 ? 66 SER B O 1
935
+ ATOM 522 C CB . SER A 1 66 ? -24.775 -8.968 3.494 1.00 5.66 ? 66 SER B CB 1
936
+ ATOM 523 O OG . SER A 1 66 ? -24.107 -10.157 3.117 1.00 9.80 ? 66 SER B OG 1
937
+ ATOM 524 N N . LEU A 1 67 ? -28.010 -9.816 3.888 1.00 4.24 ? 67 LEU B N 1
938
+ ATOM 525 C CA . LEU A 1 67 ? -29.057 -10.733 3.487 1.00 5.76 ? 67 LEU B CA 1
939
+ ATOM 526 C C . LEU A 1 67 ? -29.622 -10.326 2.126 1.00 6.63 ? 67 LEU B C 1
940
+ ATOM 527 O O . LEU A 1 67 ? -29.856 -9.133 1.863 1.00 6.12 ? 67 LEU B O 1
941
+ ATOM 528 C CB . LEU A 1 67 ? -30.157 -10.791 4.550 1.00 5.80 ? 67 LEU B CB 1
942
+ ATOM 529 C CG . LEU A 1 67 ? -29.744 -11.193 5.971 1.00 6.09 ? 67 LEU B CG 1
943
+ ATOM 530 C CD1 . LEU A 1 67 ? -29.558 -9.992 6.875 1.00 9.90 ? 67 LEU B CD1 1
944
+ ATOM 531 C CD2 . LEU A 1 67 ? -30.784 -12.117 6.573 1.00 14.35 ? 67 LEU B CD2 1
945
+ ATOM 532 N N . LYS A 1 68 ? -29.815 -11.308 1.253 1.00 4.53 ? 68 LYS B N 1
946
+ ATOM 533 C CA . LYS A 1 68 ? -30.338 -11.027 -0.079 1.00 7.74 ? 68 LYS B CA 1
947
+ ATOM 534 C C . LYS A 1 68 ? -31.806 -11.390 -0.146 1.00 7.58 ? 68 LYS B C 1
948
+ ATOM 535 O O . LYS A 1 68 ? -32.274 -12.260 0.600 1.00 7.47 ? 68 LYS B O 1
949
+ ATOM 536 C CB . LYS A 1 68 ? -29.554 -11.786 -1.162 1.00 6.90 ? 68 LYS B CB 1
950
+ ATOM 537 C CG . LYS A 1 68 ? -29.776 -13.294 -1.197 1.00 5.56 ? 68 LYS B CG 1
951
+ ATOM 538 C CD . LYS A 1 68 ? -28.861 -13.957 -2.249 1.00 7.36 ? 68 LYS B CD 1
952
+ ATOM 539 C CE . LYS A 1 68 ? -29.026 -13.310 -3.629 1.00 10.93 ? 68 LYS B CE 1
953
+ ATOM 540 N NZ . LYS A 1 68 ? -28.070 -13.862 -4.635 1.00 7.30 ? 68 LYS B NZ 1
954
+ ATOM 541 N N . THR A 1 69 ? -32.538 -10.722 -1.027 1.00 5.96 ? 69 THR B N 1
955
+ ATOM 542 C CA . THR A 1 69 ? -33.965 -10.986 -1.139 1.00 10.16 ? 69 THR B CA 1
956
+ ATOM 543 C C . THR A 1 69 ? -34.454 -10.794 -2.574 1.00 12.62 ? 69 THR B C 1
957
+ ATOM 544 O O . THR A 1 69 ? -33.889 -10.002 -3.331 1.00 9.19 ? 69 THR B O 1
958
+ ATOM 545 C CB . THR A 1 69 ? -34.787 -10.081 -0.192 1.00 9.13 ? 69 THR B CB 1
959
+ ATOM 546 O OG1 . THR A 1 69 ? -36.186 -10.383 -0.329 1.00 13.09 ? 69 THR B OG1 1
960
+ ATOM 547 C CG2 . THR A 1 69 ? -34.557 -8.606 -0.510 1.00 6.57 ? 69 THR B CG2 1
961
+ ATOM 548 N N . ILE A 1 70 ? -35.502 -11.526 -2.935 1.00 8.74 ? 70 ILE B N 1
962
+ ATOM 549 C CA . ILE A 1 70 ? -36.123 -11.375 -4.241 1.00 10.95 ? 70 ILE B CA 1
963
+ ATOM 550 C C . ILE A 1 70 ? -37.472 -10.665 -4.091 1.00 13.54 ? 70 ILE B C 1
964
+ ATOM 551 O O . ILE A 1 70 ? -37.807 -9.781 -4.878 1.00 18.41 ? 70 ILE B O 1
965
+ ATOM 552 C CB . ILE A 1 70 ? -36.343 -12.736 -4.932 1.00 14.09 ? 70 ILE B CB 1
966
+ ATOM 553 C CG1 . ILE A 1 70 ? -35.074 -13.602 -4.880 1.00 11.40 ? 70 ILE B CG1 1
967
+ ATOM 554 C CG2 . ILE A 1 70 ? -36.860 -12.539 -6.378 1.00 14.33 ? 70 ILE B CG2 1
968
+ ATOM 555 C CD1 . ILE A 1 70 ? -33.834 -12.963 -5.520 1.00 14.97 ? 70 ILE B CD1 1
969
+ ATOM 556 N N . ASP A 1 71 ? -38.233 -11.040 -3.064 1.00 11.43 ? 71 ASP B N 1
970
+ ATOM 557 C CA . ASP A 1 71 ? -39.571 -10.495 -2.861 1.00 10.88 ? 71 ASP B CA 1
971
+ ATOM 558 C C . ASP A 1 71 ? -39.668 -9.442 -1.749 1.00 15.11 ? 71 ASP B C 1
972
+ ATOM 559 O O . ASP A 1 71 ? -40.758 -8.919 -1.482 1.00 13.49 ? 71 ASP B O 1
973
+ ATOM 560 C CB . ASP A 1 71 ? -40.556 -11.638 -2.572 1.00 12.60 ? 71 ASP B CB 1
974
+ ATOM 561 C CG . ASP A 1 71 ? -40.337 -12.291 -1.199 1.00 15.94 ? 71 ASP B CG 1
975
+ ATOM 562 O OD1 . ASP A 1 71 ? -39.367 -11.954 -0.467 1.00 11.73 ? 71 ASP B OD1 1
976
+ ATOM 563 O OD2 . ASP A 1 71 ? -41.156 -13.165 -0.848 1.00 23.96 ? 71 ASP B OD2 1
977
+ ATOM 564 N N . LYS A 1 72 ? -38.551 -9.172 -1.072 1.00 11.87 ? 72 LYS B N 1
978
+ ATOM 565 C CA . LYS A 1 72 ? -38.531 -8.215 0.049 1.00 11.27 ? 72 LYS B CA 1
979
+ ATOM 566 C C . LYS A 1 72 ? -39.300 -8.664 1.306 1.00 11.08 ? 72 LYS B C 1
980
+ ATOM 567 O O . LYS A 1 72 ? -39.558 -7.849 2.213 1.00 11.77 ? 72 LYS B O 1
981
+ ATOM 568 C CB . LYS A 1 72 ? -38.987 -6.817 -0.396 1.00 9.09 ? 72 LYS B CB 1
982
+ ATOM 569 C CG . LYS A 1 72 ? -37.966 -6.090 -1.283 1.00 15.10 ? 72 LYS B CG 1
983
+ ATOM 570 C CD . LYS A 1 72 ? -38.297 -4.608 -1.386 1.00 15.17 ? 72 LYS B CD 1
984
+ ATOM 571 C CE . LYS A 1 72 ? -37.255 -3.860 -2.197 1.00 23.94 ? 72 LYS B CE 1
985
+ ATOM 572 N NZ . LYS A 1 72 ? -37.397 -4.150 -3.645 1.00 26.59 ? 72 LYS B NZ 1
986
+ ATOM 573 N N . LYS A 1 73 ? -39.646 -9.951 1.368 1.00 8.25 ? 73 LYS B N 1
987
+ ATOM 574 C CA . LYS A 1 73 ? -40.322 -10.502 2.543 1.00 12.71 ? 73 LYS B CA 1
988
+ ATOM 575 C C . LYS A 1 73 ? -39.534 -11.680 3.141 1.00 15.15 ? 73 LYS B C 1
989
+ ATOM 576 O O . LYS A 1 73 ? -39.426 -11.818 4.371 1.00 14.10 ? 73 LYS B O 1
990
+ ATOM 577 C CB . LYS A 1 73 ? -41.756 -10.927 2.197 1.00 15.10 ? 73 LYS B CB 1
991
+ ATOM 578 C CG . LYS A 1 73 ? -42.628 -9.802 1.615 1.00 20.40 ? 73 LYS B CG 1
992
+ ATOM 579 C CD . LYS A 1 73 ? -44.058 -10.275 1.362 1.00 28.28 ? 73 LYS B CD 1
993
+ ATOM 580 C CE . LYS A 1 73 ? -44.739 -9.445 0.269 1.00 39.66 ? 73 LYS B CE 1
994
+ ATOM 581 N NZ . LYS A 1 73 ? -44.742 -7.982 0.569 1.00 31.82 ? 73 LYS B NZ 1
995
+ ATOM 582 N N . THR A 1 74 ? -38.990 -12.530 2.271 1.00 9.83 ? 74 THR B N 1
996
+ ATOM 583 C CA . THR A 1 74 ? -38.104 -13.611 2.707 1.00 9.73 ? 74 THR B CA 1
997
+ ATOM 584 C C . THR A 1 74 ? -36.644 -13.258 2.403 1.00 10.06 ? 74 THR B C 1
998
+ ATOM 585 O O . THR A 1 74 ? -36.320 -12.807 1.298 1.00 8.16 ? 74 THR B O 1
999
+ ATOM 586 C CB . THR A 1 74 ? -38.497 -14.939 2.056 1.00 10.54 ? 74 THR B CB 1
1000
+ ATOM 587 O OG1 . THR A 1 74 ? -39.822 -15.288 2.487 1.00 13.73 ? 74 THR B OG1 1
1001
+ ATOM 588 C CG2 . THR A 1 74 ? -37.518 -16.047 2.449 1.00 10.24 ? 74 THR B CG2 1
1002
+ ATOM 589 N N . PHE A 1 75 ? -35.767 -13.434 3.389 1.00 9.82 ? 75 PHE B N 1
1003
+ ATOM 590 C CA . PHE A 1 75 ? -34.369 -13.006 3.246 1.00 6.54 ? 75 PHE B CA 1
1004
+ ATOM 591 C C . PHE A 1 75 ? -33.399 -14.160 3.480 1.00 8.52 ? 75 PHE B C 1
1005
+ ATOM 592 O O . PHE A 1 75 ? -33.635 -14.985 4.362 1.00 9.72 ? 75 PHE B O 1
1006
+ ATOM 593 C CB . PHE A 1 75 ? -34.072 -11.868 4.228 1.00 5.16 ? 75 PHE B CB 1
1007
+ ATOM 594 C CG . PHE A 1 75 ? -34.831 -10.599 3.926 1.00 7.67 ? 75 PHE B CG 1
1008
+ ATOM 595 C CD1 . PHE A 1 75 ? -36.174 -10.470 4.277 1.00 5.91 ? 75 PHE B CD1 1
1009
+ ATOM 596 C CD2 . PHE A 1 75 ? -34.204 -9.541 3.273 1.00 5.60 ? 75 PHE B CD2 1
1010
+ ATOM 597 C CE1 . PHE A 1 75 ? -36.880 -9.304 3.985 1.00 6.74 ? 75 PHE B CE1 1
1011
+ ATOM 598 C CE2 . PHE A 1 75 ? -34.893 -8.382 2.985 1.00 7.15 ? 75 PHE B CE2 1
1012
+ ATOM 599 C CZ . PHE A 1 75 ? -36.237 -8.261 3.341 1.00 13.17 ? 75 PHE B CZ 1
1013
+ ATOM 600 N N . TYR A 1 76 ? -32.308 -14.204 2.712 1.00 5.50 ? 76 TYR B N 1
1014
+ ATOM 601 C CA . TYR A 1 76 ? -31.311 -15.269 2.831 1.00 5.80 ? 76 TYR B CA 1
1015
+ ATOM 602 C C . TYR A 1 76 ? -29.949 -14.692 3.204 1.00 6.43 ? 76 TYR B C 1
1016
+ ATOM 603 O O . TYR A 1 76 ? -29.445 -13.794 2.532 1.00 6.38 ? 76 TYR B O 1
1017
+ ATOM 604 C CB . TYR A 1 76 ? -31.193 -16.049 1.509 1.00 7.50 ? 76 TYR B CB 1
1018
+ ATOM 605 C CG . TYR A 1 76 ? -32.522 -16.568 0.989 1.00 10.31 ? 76 TYR B CG 1
1019
+ ATOM 606 C CD1 . TYR A 1 76 ? -32.991 -17.824 1.357 1.00 9.03 ? 76 TYR B CD1 1
1020
+ ATOM 607 C CD2 . TYR A 1 76 ? -33.302 -15.795 0.134 1.00 8.34 ? 76 TYR B CD2 1
1021
+ ATOM 608 C CE1 . TYR A 1 76 ? -34.214 -18.298 0.895 1.00 13.04 ? 76 TYR B CE1 1
1022
+ ATOM 609 C CE2 . TYR A 1 76 ? -34.521 -16.260 -0.340 1.00 10.23 ? 76 TYR B CE2 1
1023
+ ATOM 610 C CZ . TYR A 1 76 ? -34.970 -17.510 0.043 1.00 11.65 ? 76 TYR B CZ 1
1024
+ ATOM 611 O OH . TYR A 1 76 ? -36.181 -17.973 -0.426 1.00 16.24 ? 76 TYR B OH 1
1025
+ ATOM 612 N N . LYS A 1 77 ? -29.349 -15.208 4.270 1.00 5.56 ? 77 LYS B N 1
1026
+ ATOM 613 C CA . LYS A 1 77 ? -28.047 -14.725 4.713 1.00 6.79 ? 77 LYS B CA 1
1027
+ ATOM 614 C C . LYS A 1 77 ? -26.954 -15.063 3.689 1.00 4.12 ? 77 LYS B C 1
1028
+ ATOM 615 O O . LYS A 1 77 ? -26.782 -16.229 3.327 1.00 2.62 ? 77 LYS B O 1
1029
+ ATOM 616 C CB . LYS A 1 77 ? -27.714 -15.342 6.078 1.00 4.61 ? 77 LYS B CB 1
1030
+ ATOM 617 C CG . LYS A 1 77 ? -26.320 -15.011 6.609 1.00 6.37 ? 77 LYS B CG 1
1031
+ ATOM 618 C CD . LYS A 1 77 ? -26.203 -15.513 8.048 1.00 5.88 ? 77 LYS B CD 1
1032
+ ATOM 619 C CE . LYS A 1 77 ? -24.978 -14.963 8.725 1.00 11.82 ? 77 LYS B CE 1
1033
+ ATOM 620 N NZ . LYS A 1 77 ? -24.889 -15.367 10.161 1.00 14.50 ? 77 LYS B NZ 1
1034
+ ATOM 621 N N . THR A 1 78 ? -26.224 -14.057 3.212 1.00 3.69 ? 78 THR B N 1
1035
+ ATOM 622 C CA . THR A 1 78 ? -25.106 -14.347 2.310 1.00 4.16 ? 78 THR B CA 1
1036
+ ATOM 623 C C . THR A 1 78 ? -23.746 -14.341 3.010 1.00 4.90 ? 78 THR B C 1
1037
+ ATOM 624 O O . THR A 1 78 ? -22.799 -14.970 2.537 1.00 3.99 ? 78 THR B O 1
1038
+ ATOM 625 C CB . THR A 1 78 ? -25.077 -13.410 1.067 1.00 6.78 ? 78 THR B CB 1
1039
+ ATOM 626 O OG1 . THR A 1 78 ? -24.443 -12.166 1.398 1.00 6.02 ? 78 THR B OG1 1
1040
+ ATOM 627 C CG2 . THR A 1 78 ? -26.505 -13.150 0.534 1.00 4.47 ? 78 THR B CG2 1
1041
+ ATOM 628 N N . ALA A 1 79 ? -23.641 -13.647 4.143 1.00 5.64 ? 79 ALA B N 1
1042
+ ATOM 629 C CA . ALA A 1 79 ? -22.337 -13.522 4.802 1.00 4.85 ? 79 ALA B CA 1
1043
+ ATOM 630 C C . ALA A 1 79 ? -22.406 -12.926 6.201 1.00 6.34 ? 79 ALA B C 1
1044
+ ATOM 631 O O . ALA A 1 79 ? -23.367 -12.230 6.523 1.00 5.31 ? 79 ALA B O 1
1045
+ ATOM 632 C CB . ALA A 1 79 ? -21.392 -12.677 3.946 1.00 3.29 ? 79 ALA B CB 1
1046
+ ATOM 633 N N . ASP A 1 80 ? -21.373 -13.205 7.010 1.00 5.66 ? 80 ASP B N 1
1047
+ ATOM 634 C CA . ASP A 1 80 ? -21.097 -12.452 8.231 1.00 6.19 ? 80 ASP B CA 1
1048
+ ATOM 635 C C . ASP A 1 80 ? -20.070 -11.360 7.920 1.00 7.28 ? 80 ASP B C 1
1049
+ ATOM 636 O O . ASP A 1 80 ? -19.045 -11.633 7.307 1.00 8.56 ? 80 ASP B O 1
1050
+ ATOM 637 C CB . ASP A 1 80 ? -20.517 -13.355 9.329 1.00 6.67 ? 80 ASP B CB 1
1051
+ ATOM 638 C CG . ASP A 1 80 ? -21.517 -14.350 9.869 1.00 10.51 ? 80 ASP B CG 1
1052
+ ATOM 639 O OD1 . ASP A 1 80 ? -22.607 -13.912 10.303 1.00 10.05 ? 80 ASP B OD1 1
1053
+ ATOM 640 O OD2 . ASP A 1 80 ? -21.207 -15.571 9.859 1.00 9.34 ? 80 ASP B OD2 1
1054
+ ATOM 641 N N . ILE A 1 81 ? -20.341 -10.133 8.351 1.00 6.92 ? 81 ILE B N 1
1055
+ ATOM 642 C CA . ILE A 1 81 ? -19.412 -9.031 8.158 1.00 6.07 ? 81 ILE B CA 1
1056
+ ATOM 643 C C . ILE A 1 81 ? -18.933 -8.533 9.517 1.00 9.99 ? 81 ILE B C 1
1057
+ ATOM 644 O O . ILE A 1 81 ? -19.754 -8.234 10.392 1.00 5.97 ? 81 ILE B O 1
1058
+ ATOM 645 C CB . ILE A 1 81 ? -20.084 -7.881 7.409 1.00 6.08 ? 81 ILE B CB 1
1059
+ ATOM 646 C CG1 . ILE A 1 81 ? -20.452 -8.336 5.992 1.00 4.83 ? 81 ILE B CG1 1
1060
+ ATOM 647 C CG2 . ILE A 1 81 ? -19.171 -6.673 7.368 1.00 4.59 ? 81 ILE B CG2 1
1061
+ ATOM 648 C CD1 . ILE A 1 81 ? -21.419 -7.442 5.299 1.00 3.33 ? 81 ILE B CD1 1
1062
+ ATOM 649 N N . CYS A 1 82 ? -17.617 -8.442 9.704 1.00 4.25 ? 82 CYS B N 1
1063
+ ATOM 650 C CA . CYS A 1 82 ? -17.098 -8.058 11.005 1.00 6.31 ? 82 CYS B CA 1
1064
+ ATOM 651 C C . CYS A 1 82 ? -15.885 -7.138 10.903 1.00 6.07 ? 82 CYS B C 1
1065
+ ATOM 652 O O . CYS A 1 82 ? -15.301 -6.776 11.924 1.00 8.49 ? 82 CYS B O 1
1066
+ ATOM 653 C CB . CYS A 1 82 ? -16.722 -9.306 11.797 1.00 6.54 ? 82 CYS B CB 1
1067
+ ATOM 654 S SG . CYS A 1 82 ? -15.421 -10.270 10.972 1.00 6.36 ? 82 CYS B SG 1
1068
+ ATOM 655 N N . GLN A 1 83 ? -15.504 -6.770 9.679 1.00 7.10 ? 83 GLN B N 1
1069
+ ATOM 656 C CA . GLN A 1 83 ? -14.355 -5.878 9.464 1.00 6.63 ? 83 GLN B CA 1
1070
+ ATOM 657 C C . GLN A 1 83 ? -14.656 -4.738 8.493 1.00 7.78 ? 83 GLN B C 1
1071
+ ATOM 658 O O . GLN A 1 83 ? -15.539 -4.853 7.630 1.00 5.50 ? 83 GLN B O 1
1072
+ ATOM 659 C CB . GLN A 1 83 ? -13.116 -6.662 8.987 1.00 5.14 ? 83 GLN B CB 1
1073
+ ATOM 660 C CG . GLN A 1 83 ? -12.502 -7.562 10.077 1.00 6.70 ? 83 GLN B CG 1
1074
+ ATOM 661 C CD . GLN A 1 83 ? -11.359 -8.425 9.566 1.00 7.29 ? 83 GLN B CD 1
1075
+ ATOM 662 O OE1 . GLN A 1 83 ? -11.439 -9.020 8.480 1.00 7.89 ? 83 GLN B OE1 1
1076
+ ATOM 663 N NE2 . GLN A 1 83 ? -10.290 -8.511 10.353 1.00 6.98 ? 83 GLN B NE2 1
1077
+ ATOM 664 N N . MET A 1 84 ? -13.905 -3.644 8.645 1.00 6.11 ? 84 MET B N 1
1078
+ ATOM 665 C CA . MET A 1 84 ? -14.048 -2.459 7.810 1.00 5.77 ? 84 MET B CA 1
1079
+ ATOM 666 C C . MET A 1 84 ? -12.670 -1.950 7.351 1.00 6.68 ? 84 MET B C 1
1080
+ ATOM 667 O O . MET A 1 84 ? -11.723 -1.856 8.146 1.00 6.43 ? 84 MET B O 1
1081
+ ATOM 668 C CB . MET A 1 84 ? -14.800 -1.359 8.575 1.00 4.35 ? 84 MET B CB 1
1082
+ ATOM 669 C CG . MET A 1 84 ? -15.038 -0.066 7.785 1.00 4.65 ? 84 MET B CG 1
1083
+ ATOM 670 S SD . MET A 1 84 ? -16.253 1.015 8.612 1.00 8.73 ? 84 MET B SD 1
1084
+ ATOM 671 C CE . MET A 1 84 ? -15.322 1.505 10.073 1.00 7.26 ? 84 MET B CE 1
1085
+ ATOM 672 N N . LEU A 1 85 ? -12.553 -1.635 6.068 1.00 3.81 ? 85 LEU B N 1
1086
+ ATOM 673 C CA . LEU A 1 85 ? -11.335 -1.033 5.556 1.00 5.07 ? 85 LEU B CA 1
1087
+ ATOM 674 C C . LEU A 1 85 ? -11.531 0.473 5.572 1.00 5.36 ? 85 LEU B C 1
1088
+ ATOM 675 O O . LEU A 1 85 ? -12.366 1.000 4.836 1.00 7.18 ? 85 LEU B O 1
1089
+ ATOM 676 C CB . LEU A 1 85 ? -11.047 -1.518 4.133 1.00 3.12 ? 85 LEU B CB 1
1090
+ ATOM 677 C CG . LEU A 1 85 ? -9.697 -1.108 3.562 1.00 4.83 ? 85 LEU B CG 1
1091
+ ATOM 678 C CD1 . LEU A 1 85 ? -8.578 -1.570 4.509 1.00 3.88 ? 85 LEU B CD1 1
1092
+ ATOM 679 C CD2 . LEU A 1 85 ? -9.522 -1.690 2.149 1.00 2.05 ? 85 LEU B CD2 1
1093
+ ATOM 680 N N . VAL A 1 86 ? -10.774 1.165 6.417 1.00 5.82 ? 86 VAL B N 1
1094
+ ATOM 681 C CA . VAL A 1 86 ? -10.966 2.599 6.608 1.00 6.08 ? 86 VAL B CA 1
1095
+ ATOM 682 C C . VAL A 1 86 ? -9.869 3.388 5.919 1.00 6.84 ? 86 VAL B C 1
1096
+ ATOM 683 O O . VAL A 1 86 ? -8.705 3.289 6.304 1.00 6.31 ? 86 VAL B O 1
1097
+ ATOM 684 C CB . VAL A 1 86 ? -10.973 2.963 8.106 1.00 8.07 ? 86 VAL B CB 1
1098
+ ATOM 685 C CG1 . VAL A 1 86 ? -10.952 4.483 8.285 1.00 3.64 ? 86 VAL B CG1 1
1099
+ ATOM 686 C CG2 . VAL A 1 86 ? -12.197 2.362 8.778 1.00 5.60 ? 86 VAL B CG2 1
1100
+ ATOM 687 N N . SER A 1 87 ? -10.243 4.176 4.910 1.00 7.72 ? 87 SER B N 1
1101
+ ATOM 688 C CA . SER A 1 87 ? -9.281 4.982 4.158 1.00 8.99 ? 87 SER B CA 1
1102
+ ATOM 689 C C . SER A 1 87 ? -9.302 6.426 4.633 1.00 10.12 ? 87 SER B C 1
1103
+ ATOM 690 O O . SER A 1 87 ? -10.366 7.022 4.773 1.00 9.99 ? 87 SER B O 1
1104
+ ATOM 691 C CB . SER A 1 87 ? -9.619 4.962 2.661 1.00 6.59 ? 87 SER B CB 1
1105
+ ATOM 692 O OG . SER A 1 87 ? -9.616 3.641 2.162 1.00 8.14 ? 87 SER B OG 1
1106
+ ATOM 693 N N . THR A 1 88 ? -8.129 7.006 4.842 1.00 11.10 ? 88 THR B N 1
1107
+ ATOM 694 C CA . THR A 1 88 ? -8.059 8.401 5.268 1.00 12.68 ? 88 THR B CA 1
1108
+ ATOM 695 C C . THR A 1 88 ? -7.239 9.214 4.271 1.00 12.51 ? 88 THR B C 1
1109
+ ATOM 696 O O . THR A 1 88 ? -6.537 8.647 3.425 1.00 10.56 ? 88 THR B O 1
1110
+ ATOM 697 C CB . THR A 1 88 ? -7.468 8.517 6.679 1.00 12.59 ? 88 THR B CB 1
1111
+ ATOM 698 O OG1 . THR A 1 88 ? -6.232 7.791 6.733 1.00 17.10 ? 88 THR B OG1 1
1112
+ ATOM 699 C CG2 . THR A 1 88 ? -8.429 7.915 7.692 1.00 9.91 ? 88 THR B CG2 1
1113
+ ATOM 700 N N . VAL A 1 89 ? -7.329 10.538 4.360 1.00 13.34 ? 89 VAL B N 1
1114
+ ATOM 701 C CA . VAL A 1 89 ? -6.609 11.392 3.419 1.00 18.58 ? 89 VAL B CA 1
1115
+ ATOM 702 C C . VAL A 1 89 ? -5.158 11.649 3.863 1.00 22.64 ? 89 VAL B C 1
1116
+ ATOM 703 O O . VAL A 1 89 ? -4.282 11.921 3.038 1.00 36.44 ? 89 VAL B O 1
1117
+ ATOM 704 C CB . VAL A 1 89 ? -7.384 12.699 3.113 1.00 20.69 ? 89 VAL B CB 1
1118
+ ATOM 705 C CG1 . VAL A 1 89 ? -7.034 13.782 4.107 1.00 30.52 ? 89 VAL B CG1 1
1119
+ ATOM 706 C CG2 . VAL A 1 89 ? -7.088 13.166 1.705 1.00 30.04 ? 89 VAL B CG2 1
1120
+ ATOM 707 N N . ASP A 1 90 ? -4.901 11.542 5.164 1.00 26.99 ? 90 ASP B N 1
1121
+ ATOM 708 C CA . ASP A 1 90 ? -3.524 11.530 5.648 1.00 33.53 ? 90 ASP B CA 1
1122
+ ATOM 709 C C . ASP A 1 90 ? -3.141 10.145 6.161 1.00 32.23 ? 90 ASP B C 1
1123
+ ATOM 710 O O . ASP A 1 90 ? -3.983 9.238 6.237 1.00 27.21 ? 90 ASP B O 1
1124
+ ATOM 711 C CB . ASP A 1 90 ? -3.281 12.583 6.737 1.00 35.05 ? 90 ASP B CB 1
1125
+ ATOM 712 C CG . ASP A 1 90 ? -4.556 13.010 7.449 1.00 52.20 ? 90 ASP B CG 1
1126
+ ATOM 713 O OD1 . ASP A 1 90 ? -5.023 14.139 7.171 1.00 56.74 ? 90 ASP B OD1 1
1127
+ ATOM 714 O OD2 . ASP A 1 90 ? -5.081 12.233 8.287 1.00 51.09 ? 90 ASP B OD2 1
1128
+ ATOM 715 N N . GLY A 1 91 ? -1.867 9.988 6.501 1.00 29.62 ? 91 GLY B N 1
1129
+ ATOM 716 C CA . GLY A 1 91 ? -1.372 8.735 7.031 1.00 24.66 ? 91 GLY B CA 1
1130
+ ATOM 717 C C . GLY A 1 91 ? -0.280 8.148 6.163 1.00 20.57 ? 91 GLY B C 1
1131
+ ATOM 718 O O . GLY A 1 91 ? -0.190 8.445 4.970 1.00 24.99 ? 91 GLY B O 1
1132
+ ATOM 719 N N . ASP A 1 92 ? 0.545 7.305 6.771 1.00 21.51 ? 92 ASP B N 1
1133
+ ATOM 720 C CA . ASP A 1 92 ? 1.594 6.591 6.061 1.00 20.44 ? 92 ASP B CA 1
1134
+ ATOM 721 C C . ASP A 1 92 ? 0.963 5.613 5.062 1.00 16.07 ? 92 ASP B C 1
1135
+ ATOM 722 O O . ASP A 1 92 ? 0.167 4.756 5.436 1.00 16.85 ? 92 ASP B O 1
1136
+ ATOM 723 C CB . ASP A 1 92 ? 2.452 5.828 7.081 1.00 27.62 ? 92 ASP B CB 1
1137
+ ATOM 724 C CG . ASP A 1 92 ? 3.906 5.656 6.637 1.00 42.58 ? 92 ASP B CG 1
1138
+ ATOM 725 O OD1 . ASP A 1 92 ? 4.801 5.751 7.512 1.00 47.01 ? 92 ASP B OD1 1
1139
+ ATOM 726 O OD2 . ASP A 1 92 ? 4.157 5.420 5.426 1.00 41.45 ? 92 ASP B OD2 1
1140
+ ATOM 727 N N . LEU A 1 93 ? 1.302 5.753 3.790 1.00 14.69 ? 93 LEU B N 1
1141
+ ATOM 728 C CA . LEU A 1 93 ? 0.911 4.767 2.790 1.00 17.56 ? 93 LEU B CA 1
1142
+ ATOM 729 C C . LEU A 1 93 ? 1.608 3.425 3.043 1.00 18.10 ? 93 LEU B C 1
1143
+ ATOM 730 O O . LEU A 1 93 ? 1.036 2.362 2.785 1.00 14.21 ? 93 LEU B O 1
1144
+ ATOM 731 C CB . LEU A 1 93 ? 1.267 5.267 1.394 1.00 12.94 ? 93 LEU B CB 1
1145
+ ATOM 732 C CG . LEU A 1 93 ? 0.536 6.515 0.903 1.00 15.22 ? 93 LEU B CG 1
1146
+ ATOM 733 C CD1 . LEU A 1 93 ? 1.001 6.844 -0.498 1.00 11.21 ? 93 LEU B CD1 1
1147
+ ATOM 734 C CD2 . LEU A 1 93 ? -0.962 6.304 0.911 1.00 9.75 ? 93 LEU B CD2 1
1148
+ ATOM 735 N N . TYR A 1 94 ? 2.845 3.494 3.543 1.00 21.39 ? 94 TYR B N 1
1149
+ ATOM 736 C CA . TYR A 1 94 ? 3.662 2.317 3.849 1.00 22.66 ? 94 TYR B CA 1
1150
+ ATOM 737 C C . TYR A 1 94 ? 4.188 2.361 5.289 1.00 25.51 ? 94 TYR B C 1
1151
+ ATOM 738 O O . TYR A 1 94 ? 5.351 2.687 5.521 1.00 31.74 ? 94 TYR B O 1
1152
+ ATOM 739 C CB . TYR A 1 94 ? 4.840 2.225 2.871 1.00 14.67 ? 94 TYR B CB 1
1153
+ ATOM 740 C CG . TYR A 1 94 ? 4.424 1.938 1.451 1.00 14.73 ? 94 TYR B CG 1
1154
+ ATOM 741 C CD1 . TYR A 1 94 ? 4.139 0.638 1.043 1.00 17.23 ? 94 TYR B CD1 1
1155
+ ATOM 742 C CD2 . TYR A 1 94 ? 4.312 2.956 0.514 1.00 10.17 ? 94 TYR B CD2 1
1156
+ ATOM 743 C CE1 . TYR A 1 94 ? 3.756 0.364 -0.258 1.00 11.60 ? 94 TYR B CE1 1
1157
+ ATOM 744 C CE2 . TYR A 1 94 ? 3.921 2.687 -0.784 1.00 8.12 ? 94 TYR B CE2 1
1158
+ ATOM 745 C CZ . TYR A 1 94 ? 3.653 1.389 -1.161 1.00 9.14 ? 94 TYR B CZ 1
1159
+ ATOM 746 O OH . TYR A 1 94 ? 3.260 1.107 -2.454 1.00 19.27 ? 94 TYR B OH 1
1160
+ ATOM 747 N N . PRO A 1 95 ? 3.331 2.011 6.262 1.00 24.36 ? 95 PRO B N 1
1161
+ ATOM 748 C CA . PRO A 1 95 ? 3.668 2.099 7.689 1.00 32.02 ? 95 PRO B CA 1
1162
+ ATOM 749 C C . PRO A 1 95 ? 4.700 1.046 8.081 1.00 42.50 ? 95 PRO B C 1
1163
+ ATOM 750 O O . PRO A 1 95 ? 4.498 -0.129 7.753 1.00 43.92 ? 95 PRO B O 1
1164
+ ATOM 751 C CB . PRO A 1 95 ? 2.337 1.788 8.391 1.00 31.00 ? 95 PRO B CB 1
1165
+ ATOM 752 C CG . PRO A 1 95 ? 1.280 1.688 7.286 1.00 27.15 ? 95 PRO B CG 1
1166
+ ATOM 753 C CD . PRO A 1 95 ? 2.036 1.351 6.042 1.00 24.52 ? 95 PRO B CD 1
1167
+ ATOM 754 N N . PRO A 1 96 ? 5.775 1.455 8.787 1.00 43.45 ? 96 PRO B N 1
1168
+ ATOM 755 C CA . PRO A 1 96 ? 6.858 0.573 9.258 1.00 46.00 ? 96 PRO B CA 1
1169
+ ATOM 756 C C . PRO A 1 96 ? 6.360 -0.663 10.018 1.00 51.50 ? 96 PRO B C 1
1170
+ ATOM 757 O O . PRO A 1 96 ? 7.074 -1.671 10.098 1.00 52.61 ? 96 PRO B O 1
1171
+ ATOM 758 C CB . PRO A 1 96 ? 7.661 1.478 10.207 1.00 35.35 ? 96 PRO B CB 1
1172
+ ATOM 759 C CG . PRO A 1 96 ? 6.743 2.636 10.524 1.00 39.59 ? 96 PRO B CG 1
1173
+ ATOM 760 C CD . PRO A 1 96 ? 5.956 2.836 9.268 1.00 36.82 ? 96 PRO B CD 1
1174
+ ATOM 761 N N . LYS A 1 97 ? -5.128 -3.762 18.212 1.00 33.69 ? 97 LYS B N 1
1175
+ ATOM 762 C CA . LYS A 1 97 ? -5.570 -2.907 19.319 1.00 36.75 ? 97 LYS B CA 1
1176
+ ATOM 763 C C . LYS A 1 97 ? -5.955 -1.530 18.794 1.00 33.68 ? 97 LYS B C 1
1177
+ ATOM 764 O O . LYS A 1 97 ? -7.057 -1.031 19.039 1.00 26.77 ? 97 LYS B O 1
1178
+ ATOM 765 C CB . LYS A 1 97 ? -4.475 -2.793 20.372 1.00 46.18 ? 97 LYS B CB 1
1179
+ ATOM 766 C CG . LYS A 1 97 ? -4.133 -4.118 21.043 1.00 53.36 ? 97 LYS B CG 1
1180
+ ATOM 767 C CD . LYS A 1 97 ? -3.207 -3.912 22.242 1.00 47.36 ? 97 LYS B CD 1
1181
+ ATOM 768 C CE . LYS A 1 97 ? -1.904 -3.237 21.828 1.00 46.39 ? 97 LYS B CE 1
1182
+ ATOM 769 N NZ . LYS A 1 97 ? -1.124 -2.742 23.002 1.00 40.09 ? 97 LYS B NZ 1
1183
+ ATOM 770 N N . LYS A 1 98 ? -5.037 -0.928 18.048 1.00 35.04 ? 98 LYS B N 1
1184
+ ATOM 771 C CA . LYS A 1 98 ? -5.353 0.216 17.207 1.00 26.22 ? 98 LYS B CA 1
1185
+ ATOM 772 C C . LYS A 1 98 ? -6.204 -0.253 16.020 1.00 29.41 ? 98 LYS B C 1
1186
+ ATOM 773 O O . LYS A 1 98 ? -6.658 0.566 15.206 1.00 32.28 ? 98 LYS B O 1
1187
+ ATOM 774 C CB . LYS A 1 98 ? -4.054 0.859 16.710 1.00 35.23 ? 98 LYS B CB 1
1188
+ ATOM 775 C CG . LYS A 1 98 ? -3.034 -0.163 16.212 1.00 37.88 ? 98 LYS B CG 1
1189
+ ATOM 776 C CD . LYS A 1 98 ? -1.639 0.438 16.022 1.00 46.03 ? 98 LYS B CD 1
1190
+ ATOM 777 C CE . LYS A 1 98 ? -1.224 0.444 14.549 1.00 36.44 ? 98 LYS B CE 1
1191
+ ATOM 778 N NZ . LYS A 1 98 ? 0.176 -0.037 14.359 1.00 46.19 ? 98 LYS B NZ 1
1192
+ ATOM 779 N N . PHE A 1 99 ? -6.409 -1.571 15.920 1.00 22.15 ? 99 PHE B N 1
1193
+ ATOM 780 C CA . PHE A 1 99 ? -7.248 -2.150 14.865 1.00 22.10 ? 99 PHE B CA 1
1194
+ ATOM 781 C C . PHE A 1 99 ? -8.602 -2.585 15.404 1.00 18.16 ? 99 PHE B C 1
1195
+ ATOM 782 O O . PHE A 1 99 ? -9.368 -3.262 14.714 1.00 17.77 ? 99 PHE B O 1
1196
+ ATOM 783 C CB . PHE A 1 99 ? -6.544 -3.327 14.183 1.00 17.98 ? 99 PHE B CB 1
1197
+ ATOM 784 C CG . PHE A 1 99 ? -5.135 -3.018 13.772 1.00 20.23 ? 99 PHE B CG 1
1198
+ ATOM 785 C CD1 . PHE A 1 99 ? -4.880 -2.042 12.817 1.00 17.39 ? 99 PHE B CD1 1
1199
+ ATOM 786 C CD2 . PHE A 1 99 ? -4.067 -3.682 14.356 1.00 20.31 ? 99 PHE B CD2 1
1200
+ ATOM 787 C CE1 . PHE A 1 99 ? -3.580 -1.734 12.438 1.00 22.22 ? 99 PHE B CE1 1
1201
+ ATOM 788 C CE2 . PHE A 1 99 ? -2.761 -3.385 13.986 1.00 27.05 ? 99 PHE B CE2 1
1202
+ ATOM 789 C CZ . PHE A 1 99 ? -2.518 -2.410 13.023 1.00 22.51 ? 99 PHE B CZ 1
1203
+ ATOM 790 N N . ILE A 1 100 ? -8.903 -2.195 16.636 1.00 15.32 ? 100 ILE B N 1
1204
+ ATOM 791 C CA . ILE A 1 100 ? -10.224 -2.466 17.184 1.00 13.46 ? 100 ILE B CA 1
1205
+ ATOM 792 C C . ILE A 1 100 ? -11.119 -1.244 17.035 1.00 13.08 ? 100 ILE B C 1
1206
+ ATOM 793 O O . ILE A 1 100 ? -10.818 -0.175 17.582 1.00 11.44 ? 100 ILE B O 1
1207
+ ATOM 794 C CB . ILE A 1 100 ? -10.143 -2.901 18.650 1.00 12.61 ? 100 ILE B CB 1
1208
+ ATOM 795 C CG1 . ILE A 1 100 ? -9.378 -4.223 18.738 1.00 15.75 ? 100 ILE B CG1 1
1209
+ ATOM 796 C CG2 . ILE A 1 100 ? -11.543 -3.054 19.245 1.00 11.06 ? 100 ILE B CG2 1
1210
+ ATOM 797 C CD1 . ILE A 1 100 ? -8.983 -4.619 20.137 1.00 24.01 ? 100 ILE B CD1 1
1211
+ ATOM 798 N N . TRP A 1 101 ? -12.207 -1.398 16.283 1.00 8.54 ? 101 TRP B N 1
1212
+ ATOM 799 C CA . TRP A 1 101 ? -13.174 -0.317 16.118 1.00 8.86 ? 101 TRP B CA 1
1213
+ ATOM 800 C C . TRP A 1 101 ? -14.172 -0.341 17.288 1.00 10.14 ? 101 TRP B C 1
1214
+ ATOM 801 O O . TRP A 1 101 ? -14.617 -1.410 17.711 1.00 8.54 ? 101 TRP B O 1
1215
+ ATOM 802 C CB . TRP A 1 101 ? -13.887 -0.456 14.771 1.00 6.16 ? 101 TRP B CB 1
1216
+ ATOM 803 C CG . TRP A 1 101 ? -14.505 0.829 14.246 1.00 8.47 ? 101 TRP B CG 1
1217
+ ATOM 804 C CD1 . TRP A 1 101 ? -15.841 1.142 14.183 1.00 7.02 ? 101 TRP B CD1 1
1218
+ ATOM 805 C CD2 . TRP A 1 101 ? -13.804 1.954 13.693 1.00 7.71 ? 101 TRP B CD2 1
1219
+ ATOM 806 N NE1 . TRP A 1 101 ? -16.006 2.396 13.634 1.00 8.11 ? 101 TRP B NE1 1
1220
+ ATOM 807 C CE2 . TRP A 1 101 ? -14.770 2.912 13.322 1.00 6.80 ? 101 TRP B CE2 1
1221
+ ATOM 808 C CE3 . TRP A 1 101 ? -12.447 2.246 13.483 1.00 12.02 ? 101 TRP B CE3 1
1222
+ ATOM 809 C CZ2 . TRP A 1 101 ? -14.425 4.144 12.750 1.00 5.23 ? 101 TRP B CZ2 1
1223
+ ATOM 810 C CZ3 . TRP A 1 101 ? -12.104 3.466 12.909 1.00 9.56 ? 101 TRP B CZ3 1
1224
+ ATOM 811 C CH2 . TRP A 1 101 ? -13.094 4.403 12.554 1.00 5.30 ? 101 TRP B CH2 1
1225
+ ATOM 812 N N . ASN A 1 102 ? -14.513 0.834 17.809 1.00 9.71 ? 102 ASN B N 1
1226
+ ATOM 813 C CA . ASN A 1 102 ? -15.318 0.935 19.026 1.00 8.71 ? 102 ASN B CA 1
1227
+ ATOM 814 C C . ASN A 1 102 ? -16.795 1.177 18.783 1.00 11.36 ? 102 ASN B C 1
1228
+ ATOM 815 O O . ASN A 1 102 ? -17.586 1.157 19.727 1.00 8.42 ? 102 ASN B O 1
1229
+ ATOM 816 C CB . ASN A 1 102 ? -14.801 2.077 19.902 1.00 12.51 ? 102 ASN B CB 1
1230
+ ATOM 817 C CG . ASN A 1 102 ? -13.517 1.726 20.618 1.00 17.28 ? 102 ASN B CG 1
1231
+ ATOM 818 O OD1 . ASN A 1 102 ? -13.257 0.562 20.911 1.00 14.74 ? 102 ASN B OD1 1
1232
+ ATOM 819 N ND2 . ASN A 1 102 ? -12.700 2.734 20.895 1.00 21.69 ? 102 ASN B ND2 1
1233
+ ATOM 820 N N . HIS A 1 103 ? -17.157 1.445 17.530 1.00 9.08 ? 103 HIS B N 1
1234
+ ATOM 821 C CA . HIS A 1 103 ? -18.524 1.817 17.213 1.00 11.34 ? 103 HIS B CA 1
1235
+ ATOM 822 C C . HIS A 1 103 ? -19.133 0.827 16.238 1.00 11.02 ? 103 HIS B C 1
1236
+ ATOM 823 O O . HIS A 1 103 ? -18.428 0.253 15.393 1.00 10.65 ? 103 HIS B O 1
1237
+ ATOM 824 C CB . HIS A 1 103 ? -18.569 3.229 16.611 1.00 9.98 ? 103 HIS B CB 1
1238
+ ATOM 825 C CG . HIS A 1 103 ? -17.700 4.213 17.328 1.00 14.36 ? 103 HIS B CG 1
1239
+ ATOM 826 N ND1 . HIS A 1 103 ? -17.909 4.565 18.646 1.00 11.89 ? 103 HIS B ND1 1
1240
+ ATOM 827 C CD2 . HIS A 1 103 ? -16.604 4.902 16.920 1.00 8.25 ? 103 HIS B CD2 1
1241
+ ATOM 828 C CE1 . HIS A 1 103 ? -16.979 5.431 19.018 1.00 15.74 ? 103 HIS B CE1 1
1242
+ ATOM 829 N NE2 . HIS A 1 103 ? -16.178 5.652 17.989 1.00 11.33 ? 103 HIS B NE2 1
1243
+ ATOM 830 N N . GLY A 1 104 ? -20.441 0.619 16.359 1.00 8.66 ? 104 GLY B N 1
1244
+ ATOM 831 C CA . GLY A 1 104 ? -21.173 -0.050 15.306 1.00 9.21 ? 104 GLY B CA 1
1245
+ ATOM 832 C C . GLY A 1 104 ? -21.242 0.893 14.117 1.00 9.04 ? 104 GLY B C 1
1246
+ ATOM 833 O O . GLY A 1 104 ? -20.888 2.076 14.219 1.00 10.02 ? 104 GLY B O 1
1247
+ ATOM 834 N N . ILE A 1 105 ? -21.698 0.374 12.985 1.00 8.73 ? 105 ILE B N 1
1248
+ ATOM 835 C CA . ILE A 1 105 ? -21.927 1.187 11.801 1.00 9.76 ? 105 ILE B CA 1
1249
+ ATOM 836 C C . ILE A 1 105 ? -23.095 2.176 11.980 1.00 9.86 ? 105 ILE B C 1
1250
+ ATOM 837 O O . ILE A 1 105 ? -23.023 3.319 11.525 1.00 12.32 ? 105 ILE B O 1
1251
+ ATOM 838 C CB . ILE A 1 105 ? -22.206 0.282 10.599 1.00 9.80 ? 105 ILE B CB 1
1252
+ ATOM 839 C CG1 . ILE A 1 105 ? -20.941 -0.500 10.241 1.00 12.91 ? 105 ILE B CG1 1
1253
+ ATOM 840 C CG2 . ILE A 1 105 ? -22.712 1.090 9.412 1.00 11.07 ? 105 ILE B CG2 1
1254
+ ATOM 841 C CD1 . ILE A 1 105 ? -19.744 0.386 9.961 1.00 11.45 ? 105 ILE B CD1 1
1255
+ ATOM 842 N N . THR A 1 106 ? -24.158 1.734 12.648 1.00 6.21 ? 106 THR B N 1
1256
+ ATOM 843 C CA . THR A 1 106 ? -25.371 2.542 12.783 1.00 10.70 ? 106 THR B CA 1
1257
+ ATOM 844 C C . THR A 1 106 ? -25.305 3.508 13.957 1.00 10.19 ? 106 THR B C 1
1258
+ ATOM 845 O O . THR A 1 106 ? -24.555 3.286 14.917 1.00 9.77 ? 106 THR B O 1
1259
+ ATOM 846 C CB . THR A 1 106 ? -26.594 1.656 12.986 1.00 8.56 ? 106 THR B CB 1
1260
+ ATOM 847 O OG1 . THR A 1 106 ? -26.382 0.837 14.140 1.00 10.11 ? 106 THR B OG1 1
1261
+ ATOM 848 C CG2 . THR A 1 106 ? -26.806 0.764 11.785 1.00 6.38 ? 106 THR B CG2 1
1262
+ ATOM 849 N N . LEU A 1 107 ? -26.110 4.566 13.881 1.00 8.71 ? 107 LEU B N 1
1263
+ ATOM 850 C CA . LEU A 1 107 ? -26.133 5.614 14.909 1.00 10.46 ? 107 LEU B CA 1
1264
+ ATOM 851 C C . LEU A 1 107 ? -26.279 5.144 16.369 1.00 11.85 ? 107 LEU B C 1
1265
+ ATOM 852 O O . LEU A 1 107 ? -25.533 5.597 17.230 1.00 13.42 ? 107 LEU B O 1
1266
+ ATOM 853 C CB . LEU A 1 107 ? -27.212 6.659 14.592 1.00 16.62 ? 107 LEU B CB 1
1267
+ ATOM 854 C CG . LEU A 1 107 ? -26.913 7.895 13.731 1.00 18.22 ? 107 LEU B CG 1
1268
+ ATOM 855 C CD1 . LEU A 1 107 ? -25.470 7.968 13.318 1.00 6.91 ? 107 LEU B CD1 1
1269
+ ATOM 856 C CD2 . LEU A 1 107 ? -27.835 7.939 12.525 1.00 12.80 ? 107 LEU B CD2 1
1270
+ ATOM 857 N N . PRO A 1 108 ? -27.247 4.257 16.661 1.00 9.82 ? 108 PRO B N 1
1271
+ ATOM 858 C CA . PRO A 1 108 ? -27.439 3.972 18.086 1.00 11.47 ? 108 PRO B CA 1
1272
+ ATOM 859 C C . PRO A 1 108 ? -26.324 3.120 18.681 1.00 11.17 ? 108 PRO B C 1
1273
+ ATOM 860 O O . PRO A 1 108 ? -26.240 3.027 19.898 1.00 8.82 ? 108 PRO B O 1
1274
+ ATOM 861 C CB . PRO A 1 108 ? -28.757 3.183 18.119 1.00 10.43 ? 108 PRO B CB 1
1275
+ ATOM 862 C CG . PRO A 1 108 ? -29.402 3.431 16.805 1.00 12.02 ? 108 PRO B CG 1
1276
+ ATOM 863 C CD . PRO A 1 108 ? -28.293 3.636 15.831 1.00 8.08 ? 108 PRO B CD 1
1277
+ ATOM 864 N N . LEU A 1 109 ? -25.496 2.503 17.846 1.00 10.04 ? 109 LEU B N 1
1278
+ ATOM 865 C CA . LEU A 1 109 ? -24.435 1.649 18.362 1.00 11.09 ? 109 LEU B CA 1
1279
+ ATOM 866 C C . LEU A 1 109 ? -23.119 2.402 18.501 1.00 9.40 ? 109 LEU B C 1
1280
+ ATOM 867 O O . LEU A 1 109 ? -22.051 1.803 18.483 1.00 9.28 ? 109 LEU B O 1
1281
+ ATOM 868 C CB . LEU A 1 109 ? -24.269 0.391 17.503 1.00 6.47 ? 109 LEU B CB 1
1282
+ ATOM 869 C CG . LEU A 1 109 ? -25.580 -0.393 17.474 1.00 8.91 ? 109 LEU B CG 1
1283
+ ATOM 870 C CD1 . LEU A 1 109 ? -25.464 -1.664 16.643 1.00 9.34 ? 109 LEU B CD1 1
1284
+ ATOM 871 C CD2 . LEU A 1 109 ? -26.041 -0.712 18.906 1.00 6.92 ? 109 LEU B CD2 1
1285
+ ATOM 872 N N . LYS A 1 110 ? -23.201 3.720 18.639 1.00 11.10 ? 110 LYS B N 1
1286
+ ATOM 873 C CA . LYS A 1 110 ? -22.025 4.513 18.983 1.00 13.93 ? 110 LYS B CA 1
1287
+ ATOM 874 C C . LYS A 1 110 ? -21.520 4.061 20.339 1.00 10.84 ? 110 LYS B C 1
1288
+ ATOM 875 O O . LYS A 1 110 ? -22.308 3.888 21.265 1.00 12.03 ? 110 LYS B O 1
1289
+ ATOM 876 C CB . LYS A 1 110 ? -22.393 5.988 19.067 1.00 15.40 ? 110 LYS B CB 1
1290
+ ATOM 877 C CG . LYS A 1 110 ? -21.718 6.829 18.021 1.00 25.75 ? 110 LYS B CG 1
1291
+ ATOM 878 C CD . LYS A 1 110 ? -20.258 6.993 18.322 1.00 21.55 ? 110 LYS B CD 1
1292
+ ATOM 879 C CE . LYS A 1 110 ? -19.530 7.498 17.092 1.00 25.33 ? 110 LYS B CE 1
1293
+ ATOM 880 N NZ . LYS A 1 110 ? -19.098 8.906 17.226 1.00 27.28 ? 110 LYS B NZ 1
1294
+ ATOM 881 N N . ASN A 1 111 ? -20.212 3.870 20.452 1.00 11.27 ? 111 ASN B N 1
1295
+ ATOM 882 C CA . ASN A 1 111 ? -19.619 3.410 21.704 1.00 14.87 ? 111 ASN B CA 1
1296
+ ATOM 883 C C . ASN A 1 111 ? -20.173 2.069 22.202 1.00 13.69 ? 111 ASN B C 1
1297
+ ATOM 884 O O . ASN A 1 111 ? -20.214 1.877 23.422 1.00 11.35 ? 111 ASN B O 1
1298
+ ATOM 885 C CB . ASN A 1 111 ? -19.819 4.463 22.816 1.00 12.28 ? 111 ASN B CB 1
1299
+ ATOM 886 C CG . ASN A 1 111 ? -19.313 5.848 22.425 1.00 13.02 ? 111 ASN B CG 1
1300
+ ATOM 887 O OD1 . ASN A 1 111 ? -18.140 6.030 22.091 1.00 15.76 ? 111 ASN B OD1 1
1301
+ ATOM 888 N ND2 . ASN A 1 111 ? -20.196 6.829 22.476 1.00 13.67 ? 111 ASN B ND2 1
1302
+ ATOM 889 N N . VAL A 1 112 ? -20.590 1.156 21.304 1.00 9.22 ? 112 VAL B N 1
1303
+ ATOM 890 C CA . VAL A 1 112 ? -21.209 -0.112 21.748 1.00 12.65 ? 112 VAL B CA 1
1304
+ ATOM 891 C C . VAL A 1 112 ? -20.336 -0.862 22.717 1.00 9.80 ? 112 VAL B C 1
1305
+ ATOM 892 O O . VAL A 1 112 ? -20.834 -1.377 23.715 1.00 10.87 ? 112 VAL B O 1
1306
+ ATOM 893 C CB . VAL A 1 112 ? -21.455 -1.197 20.648 1.00 13.63 ? 112 VAL B CB 1
1307
+ ATOM 894 C CG1 . VAL A 1 112 ? -22.899 -1.590 20.580 1.00 5.45 ? 112 VAL B CG1 1
1308
+ ATOM 895 C CG2 . VAL A 1 112 ? -20.846 -0.845 19.312 1.00 10.88 ? 112 VAL B CG2 1
1309
+ ATOM 896 N N . ARG A 1 113 ? -19.051 -0.976 22.389 1.00 9.22 ? 113 ARG B N 1
1310
+ ATOM 897 C CA . ARG A 1 113 ? -18.131 -1.750 23.224 1.00 14.64 ? 113 ARG B CA 1
1311
+ ATOM 898 C C . ARG A 1 113 ? -18.097 -1.250 24.660 1.00 10.93 ? 113 ARG B C 1
1312
+ ATOM 899 O O . ARG A 1 113 ? -18.139 -2.040 25.599 1.00 17.88 ? 113 ARG B O 1
1313
+ ATOM 900 C CB . ARG A 1 113 ? -16.718 -1.715 22.664 1.00 12.06 ? 113 ARG B CB 1
1314
+ ATOM 901 C CG . ARG A 1 113 ? -16.518 -2.555 21.437 1.00 16.80 ? 113 ARG B CG 1
1315
+ ATOM 902 C CD . ARG A 1 113 ? -15.034 -2.894 21.261 1.00 12.69 ? 113 ARG B CD 1
1316
+ ATOM 903 N NE . ARG A 1 113 ? -14.731 -3.212 19.867 1.00 17.91 ? 113 ARG B NE 1
1317
+ ATOM 904 C CZ . ARG A 1 113 ? -14.783 -4.434 19.341 1.00 15.24 ? 113 ARG B CZ 1
1318
+ ATOM 905 N NH1 . ARG A 1 113 ? -15.128 -5.478 20.094 1.00 12.17 ? 113 ARG B NH1 1
1319
+ ATOM 906 N NH2 . ARG A 1 113 ? -14.478 -4.611 18.058 1.00 9.61 ? 113 ARG B NH2 1
1320
+ ATOM 907 N N . LYS A 1 114 ? -18.020 0.066 24.822 1.00 14.11 ? 114 LYS B N 1
1321
+ ATOM 908 C CA . LYS A 1 114 ? -17.870 0.661 26.146 1.00 15.06 ? 114 LYS B CA 1
1322
+ ATOM 909 C C . LYS A 1 114 ? -19.180 0.885 26.883 1.00 14.89 ? 114 LYS B C 1
1323
+ ATOM 910 O O . LYS A 1 114 ? -19.194 0.909 28.105 1.00 21.38 ? 114 LYS B O 1
1324
+ ATOM 911 C CB . LYS A 1 114 ? -17.119 1.992 26.038 1.00 17.51 ? 114 LYS B CB 1
1325
+ ATOM 912 C CG . LYS A 1 114 ? -15.682 1.844 25.544 1.00 20.32 ? 114 LYS B CG 1
1326
+ ATOM 913 C CD . LYS A 1 114 ? -14.968 3.183 25.498 1.00 25.90 ? 114 LYS B CD 1
1327
+ ATOM 914 C CE . LYS A 1 114 ? -13.607 3.042 24.819 1.00 32.30 ? 114 LYS B CE 1
1328
+ ATOM 915 N NZ . LYS A 1 114 ? -13.101 4.363 24.336 1.00 37.65 ? 114 LYS B NZ 1
1329
+ ATOM 916 N N . ARG A 1 115 ? -20.278 1.076 26.157 1.00 10.89 ? 115 ARG B N 1
1330
+ ATOM 917 C CA . ARG A 1 115 ? -21.528 1.466 26.807 1.00 11.34 ? 115 ARG B CA 1
1331
+ ATOM 918 C C . ARG A 1 115 ? -22.614 0.384 26.762 1.00 9.61 ? 115 ARG B C 1
1332
+ ATOM 919 O O . ARG A 1 115 ? -23.458 0.320 27.648 1.00 12.86 ? 115 ARG B O 1
1333
+ ATOM 920 C CB . ARG A 1 115 ? -22.068 2.761 26.180 1.00 15.50 ? 115 ARG B CB 1
1334
+ ATOM 921 C CG . ARG A 1 115 ? -23.363 3.279 26.811 1.00 18.47 ? 115 ARG B CG 1
1335
+ ATOM 922 C CD . ARG A 1 115 ? -24.041 4.369 25.966 1.00 20.93 ? 115 ARG B CD 1
1336
+ ATOM 923 N NE . ARG A 1 115 ? -25.062 3.847 25.048 1.00 17.34 ? 115 ARG B NE 1
1337
+ ATOM 924 C CZ . ARG A 1 115 ? -26.298 3.486 25.411 1.00 19.60 ? 115 ARG B CZ 1
1338
+ ATOM 925 N NH1 . ARG A 1 115 ? -26.677 3.565 26.686 1.00 18.02 ? 115 ARG B NH1 1
1339
+ ATOM 926 N NH2 . ARG A 1 115 ? -27.166 3.036 24.499 1.00 13.18 ? 115 ARG B NH2 1
1340
+ ATOM 927 N N . ARG A 1 116 ? -22.604 -0.465 25.736 1.00 10.94 ? 116 ARG B N 1
1341
+ ATOM 928 C CA . ARG A 1 116 ? -23.788 -1.288 25.472 1.00 11.61 ? 116 ARG B CA 1
1342
+ ATOM 929 C C . ARG A 1 116 ? -23.510 -2.777 25.343 1.00 9.49 ? 116 ARG B C 1
1343
+ ATOM 930 O O . ARG A 1 116 ? -24.317 -3.515 24.753 1.00 7.80 ? 116 ARG B O 1
1344
+ ATOM 931 C CB . ARG A 1 116 ? -24.514 -0.784 24.220 1.00 7.57 ? 116 ARG B CB 1
1345
+ ATOM 932 C CG . ARG A 1 116 ? -26.027 -0.623 24.398 1.00 10.21 ? 116 ARG B CG 1
1346
+ ATOM 933 C CD . ARG A 1 116 ? -26.702 -0.234 23.075 1.00 7.82 ? 116 ARG B CD 1
1347
+ ATOM 934 N NE . ARG A 1 116 ? -28.154 -0.213 23.201 1.00 7.09 ? 116 ARG B NE 1
1348
+ ATOM 935 C CZ . ARG A 1 116 ? -28.923 -1.298 23.123 1.00 6.74 ? 116 ARG B CZ 1
1349
+ ATOM 936 N NH1 . ARG A 1 116 ? -28.367 -2.484 22.927 1.00 6.67 ? 116 ARG B NH1 1
1350
+ ATOM 937 N NH2 . ARG A 1 116 ? -30.244 -1.203 23.258 1.00 7.75 ? 116 ARG B NH2 1
1351
+ ATOM 938 N N . PHE A 1 117 ? -22.375 -3.205 25.890 1.00 8.94 ? 117 PHE B N 1
1352
+ ATOM 939 C CA . PHE A 1 117 ? -21.970 -4.605 25.855 1.00 10.79 ? 117 PHE B CA 1
1353
+ ATOM 940 C C . PHE A 1 117 ? -21.680 -5.013 27.291 1.00 11.45 ? 117 PHE B C 1
1354
+ ATOM 941 O O . PHE A 1 117 ? -20.722 -4.516 27.891 1.00 12.82 ? 117 PHE B O 1
1355
+ ATOM 942 C CB . PHE A 1 117 ? -20.685 -4.785 25.032 1.00 11.78 ? 117 PHE B CB 1
1356
+ ATOM 943 C CG . PHE A 1 117 ? -20.902 -5.045 23.542 1.00 13.57 ? 117 PHE B CG 1
1357
+ ATOM 944 C CD1 . PHE A 1 117 ? -22.176 -5.148 22.999 1.00 9.62 ? 117 PHE B CD1 1
1358
+ ATOM 945 C CD2 . PHE A 1 117 ? -19.802 -5.192 22.694 1.00 9.07 ? 117 PHE B CD2 1
1359
+ ATOM 946 C CE1 . PHE A 1 117 ? -22.351 -5.386 21.636 1.00 8.69 ? 117 PHE B CE1 1
1360
+ ATOM 947 C CE2 . PHE A 1 117 ? -19.969 -5.435 21.341 1.00 10.42 ? 117 PHE B CE2 1
1361
+ ATOM 948 C CZ . PHE A 1 117 ? -21.245 -5.532 20.811 1.00 8.15 ? 117 PHE B CZ 1
1362
+ ATOM 949 N N . ARG A 1 118 ? -22.509 -5.892 27.850 1.00 11.84 ? 118 ARG B N 1
1363
+ ATOM 950 C CA . ARG A 1 118 ? -22.187 -6.529 29.120 1.00 15.02 ? 118 ARG B CA 1
1364
+ ATOM 951 C C . ARG A 1 118 ? -20.757 -7.092 29.042 1.00 16.86 ? 118 ARG B C 1
1365
+ ATOM 952 O O . ARG A 1 118 ? -20.422 -7.818 28.108 1.00 14.41 ? 118 ARG B O 1
1366
+ ATOM 953 C CB . ARG A 1 118 ? -23.181 -7.652 29.434 1.00 12.76 ? 118 ARG B CB 1
1367
+ ATOM 954 C CG . ARG A 1 118 ? -23.082 -8.184 30.871 1.00 16.15 ? 118 ARG B CG 1
1368
+ ATOM 955 C CD . ARG A 1 118 ? -23.804 -9.528 31.031 1.00 15.17 ? 118 ARG B CD 1
1369
+ ATOM 956 N NE . ARG A 1 118 ? -23.105 -10.572 30.288 1.00 23.59 ? 118 ARG B NE 1
1370
+ ATOM 957 C CZ . ARG A 1 118 ? -22.097 -11.287 30.789 1.00 22.73 ? 118 ARG B CZ 1
1371
+ ATOM 958 N NH1 . ARG A 1 118 ? -21.686 -11.080 32.042 1.00 22.23 ? 118 ARG B NH1 1
1372
+ ATOM 959 N NH2 . ARG A 1 118 ? -21.498 -12.209 30.040 1.00 17.69 ? 118 ARG B NH2 1
1373
+ ATOM 960 N N . LYS A 1 119 ? -19.910 -6.738 30.006 1.00 13.67 ? 119 LYS B N 1
1374
+ ATOM 961 C CA . LYS A 1 119 ? -18.536 -7.230 30.010 1.00 16.45 ? 119 LYS B CA 1
1375
+ ATOM 962 C C . LYS A 1 119 ? -18.400 -8.525 30.803 1.00 18.86 ? 119 LYS B C 1
1376
+ ATOM 963 O O . LYS A 1 119 ? -19.086 -8.728 31.807 1.00 17.63 ? 119 LYS B O 1
1377
+ ATOM 964 C CB . LYS A 1 119 ? -17.575 -6.152 30.520 1.00 14.80 ? 119 LYS B CB 1
1378
+ ATOM 965 C CG . LYS A 1 119 ? -17.233 -5.137 29.428 1.00 23.81 ? 119 LYS B CG 1
1379
+ ATOM 966 C CD . LYS A 1 119 ? -16.688 -3.837 29.991 1.00 31.64 ? 119 LYS B CD 1
1380
+ ATOM 967 C CE . LYS A 1 119 ? -16.161 -2.938 28.867 1.00 38.73 ? 119 LYS B CE 1
1381
+ ATOM 968 N NZ . LYS A 1 119 ? -15.617 -1.636 29.377 1.00 45.42 ? 119 LYS B NZ 1
1382
+ ATOM 969 N N . THR A 1 120 ? -17.524 -9.404 30.325 1.00 15.95 ? 120 THR B N 1
1383
+ ATOM 970 C CA . THR A 1 120 ? -17.319 -10.715 30.927 1.00 20.39 ? 120 THR B CA 1
1384
+ ATOM 971 C C . THR A 1 120 ? -16.576 -10.661 32.266 1.00 17.85 ? 120 THR B C 1
1385
+ ATOM 972 O O . THR A 1 120 ? -15.578 -9.964 32.411 1.00 15.73 ? 120 THR B O 1
1386
+ ATOM 973 C CB . THR A 1 120 ? -16.563 -11.641 29.962 1.00 22.85 ? 120 THR B CB 1
1387
+ ATOM 974 O OG1 . THR A 1 120 ? -17.364 -11.855 28.794 1.00 31.25 ? 120 THR B OG1 1
1388
+ ATOM 975 C CG2 . THR A 1 120 ? -16.252 -12.989 30.624 1.00 20.24 ? 120 THR B CG2 1
1389
+ ATOM 976 N N . ALA A 1 121 ? -17.089 -11.416 33.232 1.00 23.81 ? 121 ALA B N 1
1390
+ ATOM 977 C CA . ALA A 1 121 ? -16.486 -11.555 34.557 1.00 26.49 ? 121 ALA B CA 1
1391
+ ATOM 978 C C . ALA A 1 121 ? -15.659 -12.844 34.634 1.00 26.11 ? 121 ALA B C 1
1392
+ ATOM 979 O O . ALA A 1 121 ? -16.215 -13.937 34.484 1.00 22.70 ? 121 ALA B O 1
1393
+ ATOM 980 C CB . ALA A 1 121 ? -17.594 -11.577 35.615 1.00 19.69 ? 121 ALA B CB 1
1394
+ ATOM 981 N N . LYS A 1 122 ? -14.347 -12.729 34.869 1.00 31.15 ? 122 LYS B N 1
1395
+ ATOM 982 C CA . LYS A 1 122 ? -13.463 -13.910 34.912 1.00 28.84 ? 122 LYS B CA 1
1396
+ ATOM 983 C C . LYS A 1 122 ? -13.584 -14.740 36.206 1.00 30.95 ? 122 LYS B C 1
1397
+ ATOM 984 O O . LYS A 1 122 ? -14.208 -14.303 37.175 1.00 38.99 ? 122 LYS B O 1
1398
+ ATOM 985 C CB . LYS A 1 122 ? -12.000 -13.503 34.724 1.00 26.86 ? 122 LYS B CB 1
1399
+ ATOM 986 C CG . LYS A 1 122 ? -11.713 -12.591 33.539 1.00 30.42 ? 122 LYS B CG 1
1400
+ ATOM 987 C CD . LYS A 1 122 ? -12.075 -13.239 32.211 1.00 34.90 ? 122 LYS B CD 1
1401
+ ATOM 988 C CE . LYS A 1 122 ? -11.131 -12.806 31.091 1.00 34.10 ? 122 LYS B CE 1
1402
+ ATOM 989 N NZ . LYS A 1 122 ? -9.829 -13.542 31.140 1.00 36.09 ? 122 LYS B NZ 1
1403
+ ATOM 990 N N . LYS A 1 123 ? -12.988 -15.936 36.194 1.00 34.25 ? 123 LYS B N 1
1404
+ ATOM 991 C CA . LYS A 1 123 ? -12.854 -16.829 37.365 1.00 32.86 ? 123 LYS B CA 1
1405
+ ATOM 992 C C . LYS A 1 123 ? -14.147 -17.518 37.828 1.00 43.12 ? 123 LYS B C 1
1406
+ ATOM 993 O O . LYS A 1 123 ? -14.133 -18.683 38.260 1.00 40.20 ? 123 LYS B O 1
1407
+ ATOM 994 C CB . LYS A 1 123 ? -12.142 -16.133 38.543 1.00 36.76 ? 123 LYS B CB 1
1408
+ ATOM 995 C CG . LYS A 1 123 ? -13.051 -15.751 39.717 1.00 36.30 ? 123 LYS B CG 1
1409
+ ATOM 996 C CD . LYS A 1 123 ? -12.239 -15.376 40.957 1.00 41.13 ? 123 LYS B CD 1
1410
+ ATOM 997 C CE . LYS A 1 123 ? -11.568 -16.607 41.561 1.00 37.74 ? 123 LYS B CE 1
1411
+ ATOM 998 N NZ . LYS A 1 123 ? -12.561 -17.703 41.811 1.00 43.51 ? 123 LYS B NZ 1
1412
+ #
1413
+ loop_
1414
+ _pdbx_audit_revision_history.ordinal
1415
+ _pdbx_audit_revision_history.data_content_type
1416
+ _pdbx_audit_revision_history.major_revision
1417
+ _pdbx_audit_revision_history.minor_revision
1418
+ _pdbx_audit_revision_history.revision_date
1419
+ 1 'Structure model' 1 0 2014-12-03
1420
+ 2 'Structure model' 1 1 2014-12-17
1421
+ #
mmcifs/4RGY_A.cif ADDED
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The diff for this file is too large to render. See raw diff
 
mmcifs/4RHJ_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/4RHO_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/4RHZ_A.cif ADDED
The diff for this file is too large to render. See raw diff
 
mmcifs/4RHZ_B.cif ADDED
@@ -0,0 +1,1454 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_4RHZ_B
2
+ #
3
+ _pdbx_database_status.entry_id 4RHZ_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
21
+ ;TVYNATFTINFYNEGEWGGPEPYGYIKAYLTNPDHDFEIWKQDDWGKSTPERSTYTQTIKISSDTGSPINQMCFYGDVKE
22
+ YDVGNADDILAYPSQKVCSTPGVTVRLDGDEKGSYVTIKYSLTPA
23
+ ;
24
+ _entity_poly.pdbx_seq_one_letter_code_can
25
+ ;TVYNATFTINFYNEGEWGGPEPYGYIKAYLTNPDHDFEIWKQDDWGKSTPERSTYTQTIKISSDTGSPINQMCFYGDVKE
26
+ YDVGNADDILAYPSQKVCSTPGVTVRLDGDEKGSYVTIKYSLTPA
27
+ ;
28
+ _entity_poly.pdbx_strand_id B
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 THR n
37
+ 1 2 VAL n
38
+ 1 3 TYR n
39
+ 1 4 ASN n
40
+ 1 5 ALA n
41
+ 1 6 THR n
42
+ 1 7 PHE n
43
+ 1 8 THR n
44
+ 1 9 ILE n
45
+ 1 10 ASN n
46
+ 1 11 PHE n
47
+ 1 12 TYR n
48
+ 1 13 ASN n
49
+ 1 14 GLU n
50
+ 1 15 GLY n
51
+ 1 16 GLU n
52
+ 1 17 TRP n
53
+ 1 18 GLY n
54
+ 1 19 GLY n
55
+ 1 20 PRO n
56
+ 1 21 GLU n
57
+ 1 22 PRO n
58
+ 1 23 TYR n
59
+ 1 24 GLY n
60
+ 1 25 TYR n
61
+ 1 26 ILE n
62
+ 1 27 LYS n
63
+ 1 28 ALA n
64
+ 1 29 TYR n
65
+ 1 30 LEU n
66
+ 1 31 THR n
67
+ 1 32 ASN n
68
+ 1 33 PRO n
69
+ 1 34 ASP n
70
+ 1 35 HIS n
71
+ 1 36 ASP n
72
+ 1 37 PHE n
73
+ 1 38 GLU n
74
+ 1 39 ILE n
75
+ 1 40 TRP n
76
+ 1 41 LYS n
77
+ 1 42 GLN n
78
+ 1 43 ASP n
79
+ 1 44 ASP n
80
+ 1 45 TRP n
81
+ 1 46 GLY n
82
+ 1 47 LYS n
83
+ 1 48 SER n
84
+ 1 49 THR n
85
+ 1 50 PRO n
86
+ 1 51 GLU n
87
+ 1 52 ARG n
88
+ 1 53 SER n
89
+ 1 54 THR n
90
+ 1 55 TYR n
91
+ 1 56 THR n
92
+ 1 57 GLN n
93
+ 1 58 THR n
94
+ 1 59 ILE n
95
+ 1 60 LYS n
96
+ 1 61 ILE n
97
+ 1 62 SER n
98
+ 1 63 SER n
99
+ 1 64 ASP n
100
+ 1 65 THR n
101
+ 1 66 GLY n
102
+ 1 67 SER n
103
+ 1 68 PRO n
104
+ 1 69 ILE n
105
+ 1 70 ASN n
106
+ 1 71 GLN n
107
+ 1 72 MET n
108
+ 1 73 CYS n
109
+ 1 74 PHE n
110
+ 1 75 TYR n
111
+ 1 76 GLY n
112
+ 1 77 ASP n
113
+ 1 78 VAL n
114
+ 1 79 LYS n
115
+ 1 80 GLU n
116
+ 1 81 TYR n
117
+ 1 82 ASP n
118
+ 1 83 VAL n
119
+ 1 84 GLY n
120
+ 1 85 ASN n
121
+ 1 86 ALA n
122
+ 1 87 ASP n
123
+ 1 88 ASP n
124
+ 1 89 ILE n
125
+ 1 90 LEU n
126
+ 1 91 ALA n
127
+ 1 92 TYR n
128
+ 1 93 PRO n
129
+ 1 94 SER n
130
+ 1 95 GLN n
131
+ 1 96 LYS n
132
+ 1 97 VAL n
133
+ 1 98 CYS n
134
+ 1 99 SER n
135
+ 1 100 THR n
136
+ 1 101 PRO n
137
+ 1 102 GLY n
138
+ 1 103 VAL n
139
+ 1 104 THR n
140
+ 1 105 VAL n
141
+ 1 106 ARG n
142
+ 1 107 LEU n
143
+ 1 108 ASP n
144
+ 1 109 GLY n
145
+ 1 110 ASP n
146
+ 1 111 GLU n
147
+ 1 112 LYS n
148
+ 1 113 GLY n
149
+ 1 114 SER n
150
+ 1 115 TYR n
151
+ 1 116 VAL n
152
+ 1 117 THR n
153
+ 1 118 ILE n
154
+ 1 119 LYS n
155
+ 1 120 TYR n
156
+ 1 121 SER n
157
+ 1 122 LEU n
158
+ 1 123 THR n
159
+ 1 124 PRO n
160
+ 1 125 ALA n
161
+ #
162
+ _entity.id 1
163
+ _entity.type polymer
164
+ _entity.src_method man
165
+ _entity.pdbx_description ?
166
+ _entity.formula_weight 14060.338
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 THR 1 1 1 THR THR B . n
187
+ A 1 2 VAL 2 2 2 VAL VAL B . n
188
+ A 1 3 TYR 3 3 3 TYR TYR B . n
189
+ A 1 4 ASN 4 4 4 ASN ASN B . n
190
+ A 1 5 ALA 5 5 5 ALA ALA B . n
191
+ A 1 6 THR 6 6 6 THR THR B . n
192
+ A 1 7 PHE 7 7 7 PHE PHE B . n
193
+ A 1 8 THR 8 8 8 THR THR B . n
194
+ A 1 9 ILE 9 9 9 ILE ILE B . n
195
+ A 1 10 ASN 10 10 10 ASN ASN B . n
196
+ A 1 11 PHE 11 11 11 PHE PHE B . n
197
+ A 1 12 TYR 12 12 12 TYR TYR B . n
198
+ A 1 13 ASN 13 13 13 ASN ASN B . n
199
+ A 1 14 GLU 14 14 14 GLU GLU B . n
200
+ A 1 15 GLY 15 15 15 GLY GLY B . n
201
+ A 1 16 GLU 16 16 16 GLU GLU B . n
202
+ A 1 17 TRP 17 17 17 TRP TRP B . n
203
+ A 1 18 GLY 18 18 18 GLY GLY B . n
204
+ A 1 19 GLY 19 19 19 GLY GLY B . n
205
+ A 1 20 PRO 20 20 20 PRO PRO B . n
206
+ A 1 21 GLU 21 21 21 GLU GLU B . n
207
+ A 1 22 PRO 22 22 22 PRO PRO B . n
208
+ A 1 23 TYR 23 23 23 TYR TYR B . n
209
+ A 1 24 GLY 24 24 24 GLY GLY B . n
210
+ A 1 25 TYR 25 25 25 TYR TYR B . n
211
+ A 1 26 ILE 26 26 26 ILE ILE B . n
212
+ A 1 27 LYS 27 27 27 LYS LYS B . n
213
+ A 1 28 ALA 28 28 28 ALA ALA B . n
214
+ A 1 29 TYR 29 29 29 TYR TYR B . n
215
+ A 1 30 LEU 30 30 30 LEU LEU B . n
216
+ A 1 31 THR 31 31 31 THR THR B . n
217
+ A 1 32 ASN 32 32 32 ASN ASN B . n
218
+ A 1 33 PRO 33 33 33 PRO PRO B . n
219
+ A 1 34 ASP 34 34 34 ASP ASP B . n
220
+ A 1 35 HIS 35 35 35 HIS HIS B . n
221
+ A 1 36 ASP 36 36 36 ASP ASP B . n
222
+ A 1 37 PHE 37 37 37 PHE PHE B . n
223
+ A 1 38 GLU 38 38 38 GLU GLU B . n
224
+ A 1 39 ILE 39 39 39 ILE ILE B . n
225
+ A 1 40 TRP 40 40 40 TRP TRP B . n
226
+ A 1 41 LYS 41 41 41 LYS LYS B . n
227
+ A 1 42 GLN 42 42 42 GLN GLN B . n
228
+ A 1 43 ASP 43 43 43 ASP ASP B . n
229
+ A 1 44 ASP 44 44 44 ASP ASP B . n
230
+ A 1 45 TRP 45 45 45 TRP TRP B . n
231
+ A 1 46 GLY 46 46 46 GLY GLY B . n
232
+ A 1 47 LYS 47 47 47 LYS LYS B . n
233
+ A 1 48 SER 48 48 48 SER SER B . n
234
+ A 1 49 THR 49 49 49 THR THR B . n
235
+ A 1 50 PRO 50 50 50 PRO PRO B . n
236
+ A 1 51 GLU 51 51 51 GLU GLU B . n
237
+ A 1 52 ARG 52 52 52 ARG ARG B . n
238
+ A 1 53 SER 53 53 53 SER SER B . n
239
+ A 1 54 THR 54 54 54 THR THR B . n
240
+ A 1 55 TYR 55 55 55 TYR TYR B . n
241
+ A 1 56 THR 56 56 56 THR THR B . n
242
+ A 1 57 GLN 57 57 57 GLN GLN B . n
243
+ A 1 58 THR 58 58 58 THR THR B . n
244
+ A 1 59 ILE 59 59 59 ILE ILE B . n
245
+ A 1 60 LYS 60 60 60 LYS LYS B . n
246
+ A 1 61 ILE 61 61 61 ILE ILE B . n
247
+ A 1 62 SER 62 62 62 SER SER B . n
248
+ A 1 63 SER 63 63 63 SER SER B . n
249
+ A 1 64 ASP 64 64 64 ASP ASP B . n
250
+ A 1 65 THR 65 65 65 THR THR B . n
251
+ A 1 66 GLY 66 66 66 GLY GLY B . n
252
+ A 1 67 SER 67 67 67 SER SER B . n
253
+ A 1 68 PRO 68 68 68 PRO PRO B . n
254
+ A 1 69 ILE 69 69 69 ILE ILE B . n
255
+ A 1 70 ASN 70 70 70 ASN ASN B . n
256
+ A 1 71 GLN 71 71 71 GLN GLN B . n
257
+ A 1 72 MET 72 72 72 MET MET B . n
258
+ A 1 73 CYS 73 73 73 CYS CYS B . n
259
+ A 1 74 PHE 74 74 74 PHE PHE B . n
260
+ A 1 75 TYR 75 75 75 TYR TYR B . n
261
+ A 1 76 GLY 76 76 76 GLY GLY B . n
262
+ A 1 77 ASP 77 77 77 ASP ASP B . n
263
+ A 1 78 VAL 78 78 78 VAL VAL B . n
264
+ A 1 79 LYS 79 79 79 LYS LYS B . n
265
+ A 1 80 GLU 80 80 80 GLU GLU B . n
266
+ A 1 81 TYR 81 81 81 TYR TYR B . n
267
+ A 1 82 ASP 82 82 82 ASP ASP B . n
268
+ A 1 83 VAL 83 83 83 VAL VAL B . n
269
+ A 1 84 GLY 84 84 84 GLY GLY B . n
270
+ A 1 85 ASN 85 85 85 ASN ASN B . n
271
+ A 1 86 ALA 86 86 86 ALA ALA B . n
272
+ A 1 87 ASP 87 87 87 ASP ASP B . n
273
+ A 1 88 ASP 88 88 88 ASP ASP B . n
274
+ A 1 89 ILE 89 89 89 ILE ILE B . n
275
+ A 1 90 LEU 90 90 90 LEU LEU B . n
276
+ A 1 91 ALA 91 91 91 ALA ALA B . n
277
+ A 1 92 TYR 92 92 92 TYR TYR B . n
278
+ A 1 93 PRO 93 93 93 PRO PRO B . n
279
+ A 1 94 SER 94 94 94 SER SER B . n
280
+ A 1 95 GLN 95 95 95 GLN GLN B . n
281
+ A 1 96 LYS 96 96 96 LYS LYS B . n
282
+ A 1 97 VAL 97 97 97 VAL VAL B . n
283
+ A 1 98 CYS 98 98 98 CYS CYS B . n
284
+ A 1 99 SER 99 99 99 SER SER B . n
285
+ A 1 100 THR 100 100 100 THR THR B . n
286
+ A 1 101 PRO 101 101 101 PRO PRO B . n
287
+ A 1 102 GLY 102 102 102 GLY GLY B . n
288
+ A 1 103 VAL 103 103 103 VAL VAL B . n
289
+ A 1 104 THR 104 104 104 THR THR B . n
290
+ A 1 105 VAL 105 105 105 VAL VAL B . n
291
+ A 1 106 ARG 106 106 106 ARG ARG B . n
292
+ A 1 107 LEU 107 107 107 LEU LEU B . n
293
+ A 1 108 ASP 108 108 108 ASP ASP B . n
294
+ A 1 109 GLY 109 109 109 GLY GLY B . n
295
+ A 1 110 ASP 110 110 110 ASP ASP B . n
296
+ A 1 111 GLU 111 111 111 GLU GLU B . n
297
+ A 1 112 LYS 112 112 112 LYS LYS B . n
298
+ A 1 113 GLY 113 113 113 GLY GLY B . n
299
+ A 1 114 SER 114 114 114 SER SER B . n
300
+ A 1 115 TYR 115 115 115 TYR TYR B . n
301
+ A 1 116 VAL 116 116 116 VAL VAL B . n
302
+ A 1 117 THR 117 117 117 THR THR B . n
303
+ A 1 118 ILE 118 118 118 ILE ILE B . n
304
+ A 1 119 LYS 119 119 119 LYS LYS B . n
305
+ A 1 120 TYR 120 120 120 TYR TYR B . n
306
+ A 1 121 SER 121 121 121 SER SER B . n
307
+ A 1 122 LEU 122 122 122 LEU LEU B . n
308
+ A 1 123 THR 123 123 123 THR THR B . n
309
+ A 1 124 PRO 124 124 124 PRO PRO B . n
310
+ A 1 125 ALA 125 125 125 ALA ALA B . 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 4RHZ_B
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
+ _pdbx_validate_close_contact.id 1
362
+ _pdbx_validate_close_contact.PDB_model_num 1
363
+ _pdbx_validate_close_contact.auth_atom_id_1 SG
364
+ _pdbx_validate_close_contact.auth_asym_id_1 B
365
+ _pdbx_validate_close_contact.auth_comp_id_1 CYS
366
+ _pdbx_validate_close_contact.auth_seq_id_1 73
367
+ _pdbx_validate_close_contact.PDB_ins_code_1 ?
368
+ _pdbx_validate_close_contact.label_alt_id_1 ?
369
+ _pdbx_validate_close_contact.auth_atom_id_2 SG
370
+ _pdbx_validate_close_contact.auth_asym_id_2 B
371
+ _pdbx_validate_close_contact.auth_comp_id_2 CYS
372
+ _pdbx_validate_close_contact.auth_seq_id_2 98
373
+ _pdbx_validate_close_contact.PDB_ins_code_2 ?
374
+ _pdbx_validate_close_contact.label_alt_id_2 ?
375
+ _pdbx_validate_close_contact.dist 2.07
376
+ #
377
+ loop_
378
+ _pdbx_validate_rmsd_angle.id
379
+ _pdbx_validate_rmsd_angle.PDB_model_num
380
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
381
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
382
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
383
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
384
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
385
+ _pdbx_validate_rmsd_angle.label_alt_id_1
386
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
387
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
388
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
389
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
390
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
391
+ _pdbx_validate_rmsd_angle.label_alt_id_2
392
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
393
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
394
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
395
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
396
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
397
+ _pdbx_validate_rmsd_angle.label_alt_id_3
398
+ _pdbx_validate_rmsd_angle.angle_value
399
+ _pdbx_validate_rmsd_angle.angle_target_value
400
+ _pdbx_validate_rmsd_angle.angle_deviation
401
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
402
+ _pdbx_validate_rmsd_angle.linker_flag
403
+ 1 1 CB B ASP 64 ? ? CA B ASP 64 ? ? C B ASP 64 ? ? 97.82 110.40 -12.58 2.00 N
404
+ 2 1 CG B MET 72 ? ? SD B MET 72 ? ? CE B MET 72 ? ? 111.56 100.20 11.36 1.60 N
405
+ #
406
+ loop_
407
+ _pdbx_validate_torsion.id
408
+ _pdbx_validate_torsion.PDB_model_num
409
+ _pdbx_validate_torsion.auth_comp_id
410
+ _pdbx_validate_torsion.auth_asym_id
411
+ _pdbx_validate_torsion.auth_seq_id
412
+ _pdbx_validate_torsion.PDB_ins_code
413
+ _pdbx_validate_torsion.label_alt_id
414
+ _pdbx_validate_torsion.phi
415
+ _pdbx_validate_torsion.psi
416
+ 1 1 GLU B 16 ? ? -52.88 -7.15
417
+ 2 1 GLU B 21 ? ? -118.92 68.01
418
+ 3 1 LEU B 30 ? ? -79.10 -72.40
419
+ 4 1 HIS B 35 ? ? -96.90 58.35
420
+ 5 1 ASP B 82 ? ? -68.82 83.19
421
+ 6 1 ASN B 85 ? ? -129.65 -52.93
422
+ #
423
+ loop_
424
+ _atom_type.symbol
425
+ C
426
+ N
427
+ O
428
+ S
429
+ #
430
+ _entry.id 4RHZ_B
431
+ #
432
+ loop_
433
+ _atom_site.group_PDB
434
+ _atom_site.id
435
+ _atom_site.type_symbol
436
+ _atom_site.label_atom_id
437
+ _atom_site.label_alt_id
438
+ _atom_site.label_comp_id
439
+ _atom_site.label_asym_id
440
+ _atom_site.label_entity_id
441
+ _atom_site.label_seq_id
442
+ _atom_site.pdbx_PDB_ins_code
443
+ _atom_site.Cartn_x
444
+ _atom_site.Cartn_y
445
+ _atom_site.Cartn_z
446
+ _atom_site.occupancy
447
+ _atom_site.B_iso_or_equiv
448
+ _atom_site.pdbx_formal_charge
449
+ _atom_site.auth_seq_id
450
+ _atom_site.auth_comp_id
451
+ _atom_site.auth_asym_id
452
+ _atom_site.auth_atom_id
453
+ _atom_site.pdbx_PDB_model_num
454
+ ATOM 1 N N . THR A 1 1 ? -2.356 37.554 -57.280 1.00 42.90 ? 1 THR B N 1
455
+ ATOM 2 C CA . THR A 1 1 ? -2.765 37.728 -55.836 1.00 42.78 ? 1 THR B CA 1
456
+ ATOM 3 C C . THR A 1 1 ? -2.652 39.186 -55.362 1.00 40.87 ? 1 THR B C 1
457
+ ATOM 4 O O . THR A 1 1 ? -1.675 39.864 -55.656 1.00 40.73 ? 1 THR B O 1
458
+ ATOM 5 C CB . THR A 1 1 ? -1.839 36.860 -54.957 1.00 44.48 ? 1 THR B CB 1
459
+ ATOM 6 O OG1 . THR A 1 1 ? -1.849 35.529 -55.476 1.00 45.57 ? 1 THR B OG1 1
460
+ ATOM 7 C CG2 . THR A 1 1 ? -2.258 36.878 -53.429 1.00 43.02 ? 1 THR B CG2 1
461
+ ATOM 8 N N . VAL A 1 2 ? -3.646 39.663 -54.621 1.00 39.38 ? 2 VAL B N 1
462
+ ATOM 9 C CA . VAL A 1 2 ? -3.635 41.020 -54.091 1.00 37.18 ? 2 VAL B CA 1
463
+ ATOM 10 C C . VAL A 1 2 ? -3.083 40.951 -52.637 1.00 39.60 ? 2 VAL B C 1
464
+ ATOM 11 O O . VAL A 1 2 ? -3.358 39.988 -51.909 1.00 39.90 ? 2 VAL B O 1
465
+ ATOM 12 C CB . VAL A 1 2 ? -5.049 41.612 -54.151 1.00 36.97 ? 2 VAL B CB 1
466
+ ATOM 13 C CG1 . VAL A 1 2 ? -5.102 42.961 -53.440 1.00 32.02 ? 2 VAL B CG1 1
467
+ ATOM 14 C CG2 . VAL A 1 2 ? -5.552 41.728 -55.679 1.00 32.91 ? 2 VAL B CG2 1
468
+ ATOM 15 N N . TYR A 1 3 ? -2.318 41.962 -52.227 1.00 39.16 ? 3 TYR B N 1
469
+ ATOM 16 C CA . TYR A 1 3 ? -1.737 42.022 -50.882 1.00 39.93 ? 3 TYR B CA 1
470
+ ATOM 17 C C . TYR A 1 3 ? -2.123 43.235 -50.095 1.00 39.60 ? 3 TYR B C 1
471
+ ATOM 18 O O . TYR A 1 3 ? -2.314 44.324 -50.641 1.00 39.67 ? 3 TYR B O 1
472
+ ATOM 19 C CB . TYR A 1 3 ? -0.226 41.947 -50.923 1.00 38.32 ? 3 TYR B CB 1
473
+ ATOM 20 C CG . TYR A 1 3 ? 0.256 40.653 -51.496 1.00 41.39 ? 3 TYR B CG 1
474
+ ATOM 21 C CD1 . TYR A 1 3 ? 0.445 39.542 -50.673 1.00 41.48 ? 3 TYR B CD1 1
475
+ ATOM 22 C CD2 . TYR A 1 3 ? 0.521 40.518 -52.886 1.00 39.02 ? 3 TYR B CD2 1
476
+ ATOM 23 C CE1 . TYR A 1 3 ? 0.889 38.324 -51.202 1.00 40.74 ? 3 TYR B CE1 1
477
+ ATOM 24 C CE2 . TYR A 1 3 ? 0.952 39.338 -53.411 1.00 38.80 ? 3 TYR B CE2 1
478
+ ATOM 25 C CZ . TYR A 1 3 ? 1.139 38.230 -52.554 1.00 44.33 ? 3 TYR B CZ 1
479
+ ATOM 26 O OH . TYR A 1 3 ? 1.579 37.018 -53.053 1.00 48.63 ? 3 TYR B OH 1
480
+ ATOM 27 N N . ASN A 1 4 ? -2.263 43.031 -48.794 1.00 39.84 ? 4 ASN B N 1
481
+ ATOM 28 C CA . ASN A 1 4 ? -2.405 44.141 -47.862 1.00 39.63 ? 4 ASN B CA 1
482
+ ATOM 29 C C . ASN A 1 4 ? -0.971 44.566 -47.640 1.00 37.86 ? 4 ASN B C 1
483
+ ATOM 30 O O . ASN A 1 4 ? -0.154 43.779 -47.294 1.00 37.98 ? 4 ASN B O 1
484
+ ATOM 31 C CB . ASN A 1 4 ? -3.121 43.679 -46.557 1.00 39.99 ? 4 ASN B CB 1
485
+ ATOM 32 C CG . ASN A 1 4 ? -4.678 43.665 -46.695 1.00 44.00 ? 4 ASN B CG 1
486
+ ATOM 33 O OD1 . ASN A 1 4 ? -5.254 44.610 -47.218 1.00 53.31 ? 4 ASN B OD1 1
487
+ ATOM 34 N ND2 . ASN A 1 4 ? -5.346 42.637 -46.176 1.00 45.23 ? 4 ASN B ND2 1
488
+ ATOM 35 N N . ALA A 1 5 ? -0.648 45.807 -47.939 1.00 37.34 ? 5 ALA B N 1
489
+ ATOM 36 C CA . ALA A 1 5 ? 0.689 46.316 -47.696 1.00 35.93 ? 5 ALA B CA 1
490
+ ATOM 37 C C . ALA A 1 5 ? 0.603 47.401 -46.625 1.00 35.11 ? 5 ALA B C 1
491
+ ATOM 38 O O . ALA A 1 5 ? -0.195 48.333 -46.747 1.00 34.26 ? 5 ALA B O 1
492
+ ATOM 39 C CB . ALA A 1 5 ? 1.332 46.846 -48.967 1.00 34.80 ? 5 ALA B CB 1
493
+ ATOM 40 N N . THR A 1 6 ? 1.444 47.261 -45.591 1.00 33.91 ? 6 THR B N 1
494
+ ATOM 41 C CA . THR A 1 6 ? 1.412 48.139 -44.410 1.00 32.32 ? 6 THR B CA 1
495
+ ATOM 42 C C . THR A 1 6 ? 2.748 48.860 -44.334 1.00 31.29 ? 6 THR B C 1
496
+ ATOM 43 O O . THR A 1 6 ? 3.782 48.250 -44.286 1.00 30.24 ? 6 THR B O 1
497
+ ATOM 44 C CB . THR A 1 6 ? 1.104 47.323 -43.080 1.00 34.75 ? 6 THR B CB 1
498
+ ATOM 45 O OG1 . THR A 1 6 ? -0.173 46.647 -43.198 1.00 35.47 ? 6 THR B OG1 1
499
+ ATOM 46 C CG2 . THR A 1 6 ? 1.104 48.256 -41.757 1.00 32.31 ? 6 THR B CG2 1
500
+ ATOM 47 N N . PHE A 1 7 ? 2.684 50.182 -44.407 1.00 30.71 ? 7 PHE B N 1
501
+ ATOM 48 C CA . PHE A 1 7 ? 3.791 51.050 -44.528 1.00 30.72 ? 7 PHE B CA 1
502
+ ATOM 49 C C . PHE A 1 7 ? 3.935 51.721 -43.201 1.00 30.93 ? 7 PHE B C 1
503
+ ATOM 50 O O . PHE A 1 7 ? 2.943 52.224 -42.656 1.00 29.85 ? 7 PHE B O 1
504
+ ATOM 51 C CB . PHE A 1 7 ? 3.488 52.116 -45.635 1.00 30.66 ? 7 PHE B CB 1
505
+ ATOM 52 C CG . PHE A 1 7 ? 3.302 51.486 -47.001 1.00 32.95 ? 7 PHE B CG 1
506
+ ATOM 53 C CD1 . PHE A 1 7 ? 2.020 51.196 -47.491 1.00 31.14 ? 7 PHE B CD1 1
507
+ ATOM 54 C CD2 . PHE A 1 7 ? 4.402 51.064 -47.734 1.00 31.49 ? 7 PHE B CD2 1
508
+ ATOM 55 C CE1 . PHE A 1 7 ? 1.851 50.556 -48.691 1.00 31.47 ? 7 PHE B CE1 1
509
+ ATOM 56 C CE2 . PHE A 1 7 ? 4.253 50.416 -48.960 1.00 26.85 ? 7 PHE B CE2 1
510
+ ATOM 57 C CZ . PHE A 1 7 ? 2.977 50.172 -49.447 1.00 30.01 ? 7 PHE B CZ 1
511
+ ATOM 58 N N . THR A 1 8 ? 5.166 51.768 -42.678 1.00 30.72 ? 8 THR B N 1
512
+ ATOM 59 C CA . THR A 1 8 ? 5.359 52.531 -41.429 1.00 31.05 ? 8 THR B CA 1
513
+ ATOM 60 C C . THR A 1 8 ? 6.374 53.568 -41.700 1.00 29.77 ? 8 THR B C 1
514
+ ATOM 61 O O . THR A 1 8 ? 7.493 53.239 -41.978 1.00 29.99 ? 8 THR B O 1
515
+ ATOM 62 C CB . THR A 1 8 ? 5.871 51.633 -40.290 1.00 31.88 ? 8 THR B CB 1
516
+ ATOM 63 O OG1 . THR A 1 8 ? 4.944 50.573 -40.133 1.00 31.92 ? 8 THR B OG1 1
517
+ ATOM 64 C CG2 . THR A 1 8 ? 5.970 52.420 -38.985 1.00 32.84 ? 8 THR B CG2 1
518
+ ATOM 65 N N . ILE A 1 9 ? 5.991 54.814 -41.578 1.00 29.24 ? 9 ILE B N 1
519
+ ATOM 66 C CA . ILE A 1 9 ? 6.817 55.852 -41.985 1.00 30.08 ? 9 ILE B CA 1
520
+ ATOM 67 C C . ILE A 1 9 ? 7.207 56.679 -40.770 1.00 32.58 ? 9 ILE B C 1
521
+ ATOM 68 O O . ILE A 1 9 ? 6.322 57.026 -39.956 1.00 32.75 ? 9 ILE B O 1
522
+ ATOM 69 C CB . ILE A 1 9 ? 6.002 56.781 -42.924 1.00 30.57 ? 9 ILE B CB 1
523
+ ATOM 70 C CG1 . ILE A 1 9 ? 5.397 55.975 -44.118 1.00 28.20 ? 9 ILE B CG1 1
524
+ ATOM 71 C CG2 . ILE A 1 9 ? 6.814 57.959 -43.313 1.00 27.35 ? 9 ILE B CG2 1
525
+ ATOM 72 C CD1 . ILE A 1 9 ? 4.555 56.822 -45.050 1.00 29.73 ? 9 ILE B CD1 1
526
+ ATOM 73 N N . ASN A 1 10 ? 8.509 57.042 -40.674 1.00 32.97 ? 10 ASN B N 1
527
+ ATOM 74 C CA . ASN A 1 10 ? 8.991 57.894 -39.611 1.00 32.79 ? 10 ASN B CA 1
528
+ ATOM 75 C C . ASN A 1 10 ? 9.652 59.110 -40.126 1.00 32.80 ? 10 ASN B C 1
529
+ ATOM 76 O O . ASN A 1 10 ? 10.466 59.012 -41.050 1.00 32.64 ? 10 ASN B O 1
530
+ ATOM 77 C CB . ASN A 1 10 ? 9.968 57.105 -38.759 1.00 34.60 ? 10 ASN B CB 1
531
+ ATOM 78 C CG . ASN A 1 10 ? 9.250 56.271 -37.746 1.00 36.04 ? 10 ASN B CG 1
532
+ ATOM 79 O OD1 . ASN A 1 10 ? 8.762 56.812 -36.782 1.00 45.12 ? 10 ASN B OD1 1
533
+ ATOM 80 N ND2 . ASN A 1 10 ? 9.114 54.973 -37.982 1.00 35.98 ? 10 ASN B ND2 1
534
+ ATOM 81 N N . PHE A 1 11 ? 9.315 60.259 -39.520 1.00 32.08 ? 11 PHE B N 1
535
+ ATOM 82 C CA . PHE A 1 11 ? 9.813 61.544 -39.920 1.00 32.25 ? 11 PHE B CA 1
536
+ ATOM 83 C C . PHE A 1 11 ? 10.812 62.082 -38.889 1.00 33.68 ? 11 PHE B C 1
537
+ ATOM 84 O O . PHE A 1 11 ? 10.578 61.961 -37.725 1.00 34.28 ? 11 PHE B O 1
538
+ ATOM 85 C CB . PHE A 1 11 ? 8.654 62.515 -40.028 1.00 31.46 ? 11 PHE B CB 1
539
+ ATOM 86 C CG . PHE A 1 11 ? 7.537 62.067 -40.980 1.00 32.58 ? 11 PHE B CG 1
540
+ ATOM 87 C CD1 . PHE A 1 11 ? 6.484 61.261 -40.520 1.00 28.33 ? 11 PHE B CD1 1
541
+ ATOM 88 C CD2 . PHE A 1 11 ? 7.529 62.507 -42.332 1.00 30.44 ? 11 PHE B CD2 1
542
+ ATOM 89 C CE1 . PHE A 1 11 ? 5.446 60.879 -41.392 1.00 33.42 ? 11 PHE B CE1 1
543
+ ATOM 90 C CE2 . PHE A 1 11 ? 6.513 62.155 -43.198 1.00 30.95 ? 11 PHE B CE2 1
544
+ ATOM 91 C CZ . PHE A 1 11 ? 5.446 61.332 -42.745 1.00 31.77 ? 11 PHE B CZ 1
545
+ ATOM 92 N N . TYR A 1 12 ? 11.895 62.741 -39.322 1.00 35.02 ? 12 TYR B N 1
546
+ ATOM 93 C CA . TYR A 1 12 ? 12.943 63.206 -38.430 1.00 34.60 ? 12 TYR B CA 1
547
+ ATOM 94 C C . TYR A 1 12 ? 13.337 64.573 -38.889 1.00 36.03 ? 12 TYR B C 1
548
+ ATOM 95 O O . TYR A 1 12 ? 13.452 64.773 -40.108 1.00 34.69 ? 12 TYR B O 1
549
+ ATOM 96 C CB . TYR A 1 12 ? 14.155 62.285 -38.505 1.00 34.00 ? 12 TYR B CB 1
550
+ ATOM 97 C CG . TYR A 1 12 ? 13.870 60.910 -38.057 1.00 32.97 ? 12 TYR B CG 1
551
+ ATOM 98 C CD1 . TYR A 1 12 ? 14.012 60.540 -36.699 1.00 34.08 ? 12 TYR B CD1 1
552
+ ATOM 99 C CD2 . TYR A 1 12 ? 13.443 59.961 -38.963 1.00 27.53 ? 12 TYR B CD2 1
553
+ ATOM 100 C CE1 . TYR A 1 12 ? 13.713 59.179 -36.260 1.00 30.92 ? 12 TYR B CE1 1
554
+ ATOM 101 C CE2 . TYR A 1 12 ? 13.198 58.657 -38.579 1.00 31.02 ? 12 TYR B CE2 1
555
+ ATOM 102 C CZ . TYR A 1 12 ? 13.309 58.257 -37.211 1.00 33.52 ? 12 TYR B CZ 1
556
+ ATOM 103 O OH . TYR A 1 12 ? 13.034 56.924 -36.868 1.00 30.91 ? 12 TYR B OH 1
557
+ ATOM 104 N N . ASN A 1 13 ? 13.535 65.507 -37.940 1.00 37.30 ? 13 ASN B N 1
558
+ ATOM 105 C CA . ASN A 1 13 ? 14.022 66.887 -38.218 1.00 41.57 ? 13 ASN B CA 1
559
+ ATOM 106 C C . ASN A 1 13 ? 14.575 67.381 -36.883 1.00 45.17 ? 13 ASN B C 1
560
+ ATOM 107 O O . ASN A 1 13 ? 13.790 67.635 -35.983 1.00 46.78 ? 13 ASN B O 1
561
+ ATOM 108 C CB . ASN A 1 13 ? 12.868 67.777 -38.672 1.00 39.89 ? 13 ASN B CB 1
562
+ ATOM 109 C CG . ASN A 1 13 ? 13.301 69.117 -39.346 1.00 40.93 ? 13 ASN B CG 1
563
+ ATOM 110 O OD1 . ASN A 1 13 ? 14.443 69.358 -39.777 1.00 37.05 ? 13 ASN B OD1 1
564
+ ATOM 111 N ND2 . ASN A 1 13 ? 12.322 69.987 -39.483 1.00 42.05 ? 13 ASN B ND2 1
565
+ ATOM 112 N N . GLU A 1 14 ? 15.903 67.419 -36.714 1.00 48.43 ? 14 GLU B N 1
566
+ ATOM 113 C CA . GLU A 1 14 ? 16.533 67.873 -35.461 1.00 52.26 ? 14 GLU B CA 1
567
+ ATOM 114 C C . GLU A 1 14 ? 16.134 69.323 -35.152 1.00 55.72 ? 14 GLU B C 1
568
+ ATOM 115 O O . GLU A 1 14 ? 16.346 70.210 -35.980 1.00 56.14 ? 14 GLU B O 1
569
+ ATOM 116 C CB . GLU A 1 14 ? 18.036 67.835 -35.566 1.00 50.12 ? 14 GLU B CB 1
570
+ ATOM 117 C CG . GLU A 1 14 ? 18.659 67.313 -34.301 1.00 50.77 ? 14 GLU B CG 1
571
+ ATOM 118 C CD . GLU A 1 14 ? 20.165 67.520 -34.222 1.00 45.60 ? 14 GLU B CD 1
572
+ ATOM 119 O OE1 . GLU A 1 14 ? 20.646 68.640 -34.102 1.00 42.41 ? 14 GLU B OE1 1
573
+ ATOM 120 O OE2 . GLU A 1 14 ? 20.881 66.521 -34.212 1.00 53.78 ? 14 GLU B OE2 1
574
+ ATOM 121 N N . GLY A 1 15 ? 15.548 69.571 -33.994 1.00 59.79 ? 15 GLY B N 1
575
+ ATOM 122 C CA . GLY A 1 15 ? 14.988 70.919 -33.716 1.00 65.95 ? 15 GLY B CA 1
576
+ ATOM 123 C C . GLY A 1 15 ? 13.950 70.804 -32.628 1.00 70.02 ? 15 GLY B C 1
577
+ ATOM 124 O O . GLY A 1 15 ? 12.811 70.359 -32.877 1.00 71.32 ? 15 GLY B O 1
578
+ ATOM 125 N N . GLU A 1 16 ? 14.345 71.255 -31.438 1.00 73.26 ? 16 GLU B N 1
579
+ ATOM 126 C CA . GLU A 1 16 ? 13.857 70.756 -30.119 1.00 76.40 ? 16 GLU B CA 1
580
+ ATOM 127 C C . GLU A 1 16 ? 12.345 70.646 -29.702 1.00 77.15 ? 16 GLU B C 1
581
+ ATOM 128 O O . GLU A 1 16 ? 12.066 70.041 -28.640 1.00 78.14 ? 16 GLU B O 1
582
+ ATOM 129 C CB . GLU A 1 16 ? 14.712 71.414 -29.001 1.00 76.89 ? 16 GLU B CB 1
583
+ ATOM 130 C CG . GLU A 1 16 ? 14.330 71.166 -27.497 1.00 80.87 ? 16 GLU B CG 1
584
+ ATOM 131 C CD . GLU A 1 16 ? 14.852 69.841 -26.925 1.00 84.75 ? 16 GLU B CD 1
585
+ ATOM 132 O OE1 . GLU A 1 16 ? 15.612 69.888 -25.903 1.00 84.31 ? 16 GLU B OE1 1
586
+ ATOM 133 O OE2 . GLU A 1 16 ? 14.493 68.772 -27.502 1.00 85.12 ? 16 GLU B OE2 1
587
+ ATOM 134 N N . TRP A 1 17 ? 11.365 71.135 -30.474 1.00 77.58 ? 17 TRP B N 1
588
+ ATOM 135 C CA . TRP A 1 17 ? 9.963 71.108 -29.904 1.00 77.51 ? 17 TRP B CA 1
589
+ ATOM 136 C C . TRP A 1 17 ? 8.945 70.011 -30.318 1.00 76.02 ? 17 TRP B C 1
590
+ ATOM 137 O O . TRP A 1 17 ? 8.158 70.174 -31.275 1.00 76.22 ? 17 TRP B O 1
591
+ ATOM 138 C CB . TRP A 1 17 ? 9.345 72.521 -29.869 1.00 78.60 ? 17 TRP B CB 1
592
+ ATOM 139 C CG . TRP A 1 17 ? 10.284 73.474 -29.126 1.00 83.26 ? 17 TRP B CG 1
593
+ ATOM 140 C CD1 . TRP A 1 17 ? 10.832 74.645 -29.612 1.00 85.09 ? 17 TRP B CD1 1
594
+ ATOM 141 C CD2 . TRP A 1 17 ? 10.856 73.277 -27.799 1.00 85.38 ? 17 TRP B CD2 1
595
+ ATOM 142 N NE1 . TRP A 1 17 ? 11.667 75.201 -28.654 1.00 87.67 ? 17 TRP B NE1 1
596
+ ATOM 143 C CE2 . TRP A 1 17 ? 11.706 74.389 -27.542 1.00 86.17 ? 17 TRP B CE2 1
597
+ ATOM 144 C CE3 . TRP A 1 17 ? 10.719 72.279 -26.805 1.00 85.20 ? 17 TRP B CE3 1
598
+ ATOM 145 C CZ2 . TRP A 1 17 ? 12.421 74.534 -26.324 1.00 85.02 ? 17 TRP B CZ2 1
599
+ ATOM 146 C CZ3 . TRP A 1 17 ? 11.428 72.425 -25.600 1.00 85.17 ? 17 TRP B CZ3 1
600
+ ATOM 147 C CH2 . TRP A 1 17 ? 12.267 73.549 -25.376 1.00 83.86 ? 17 TRP B CH2 1
601
+ ATOM 148 N N . GLY A 1 18 ? 8.962 68.902 -29.568 1.00 73.92 ? 18 GLY B N 1
602
+ ATOM 149 C CA . GLY A 1 18 ? 8.162 67.720 -29.916 1.00 71.17 ? 18 GLY B CA 1
603
+ ATOM 150 C C . GLY A 1 18 ? 8.510 67.224 -31.324 1.00 69.16 ? 18 GLY B C 1
604
+ ATOM 151 O O . GLY A 1 18 ? 9.678 67.277 -31.754 1.00 69.26 ? 18 GLY B O 1
605
+ ATOM 152 N N . GLY A 1 19 ? 7.493 66.788 -32.063 1.00 66.54 ? 19 GLY B N 1
606
+ ATOM 153 C CA . GLY A 1 19 ? 7.712 66.158 -33.362 1.00 62.25 ? 19 GLY B CA 1
607
+ ATOM 154 C C . GLY A 1 19 ? 7.796 67.135 -34.514 1.00 58.98 ? 19 GLY B C 1
608
+ ATOM 155 O O . GLY A 1 19 ? 7.536 68.329 -34.371 1.00 58.92 ? 19 GLY B O 1
609
+ ATOM 156 N N . PRO A 1 20 ? 8.162 66.630 -35.687 1.00 56.53 ? 20 PRO B N 1
610
+ ATOM 157 C CA . PRO A 1 20 ? 8.121 67.536 -36.823 1.00 53.85 ? 20 PRO B CA 1
611
+ ATOM 158 C C . PRO A 1 20 ? 6.685 67.727 -37.385 1.00 51.67 ? 20 PRO B C 1
612
+ ATOM 159 O O . PRO A 1 20 ? 5.728 67.036 -36.947 1.00 50.06 ? 20 PRO B O 1
613
+ ATOM 160 C CB . PRO A 1 20 ? 9.086 66.890 -37.826 1.00 53.77 ? 20 PRO B CB 1
614
+ ATOM 161 C CG . PRO A 1 20 ? 9.414 65.539 -37.300 1.00 54.82 ? 20 PRO B CG 1
615
+ ATOM 162 C CD . PRO A 1 20 ? 8.623 65.285 -36.054 1.00 56.30 ? 20 PRO B CD 1
616
+ ATOM 163 N N . GLU A 1 21 ? 6.548 68.682 -38.312 1.00 48.72 ? 21 GLU B N 1
617
+ ATOM 164 C CA . GLU A 1 21 ? 5.282 68.984 -38.954 1.00 47.37 ? 21 GLU B CA 1
618
+ ATOM 165 C C . GLU A 1 21 ? 5.350 68.765 -40.459 1.00 44.49 ? 21 GLU B C 1
619
+ ATOM 166 O O . GLU A 1 21 ? 5.310 69.709 -41.260 1.00 43.03 ? 21 GLU B O 1
620
+ ATOM 167 C CB . GLU A 1 21 ? 4.832 70.395 -38.578 1.00 47.47 ? 21 GLU B CB 1
621
+ ATOM 168 C CG . GLU A 1 21 ? 4.227 70.353 -37.175 1.00 53.65 ? 21 GLU B CG 1
622
+ ATOM 169 C CD . GLU A 1 21 ? 4.803 71.404 -36.248 1.00 59.84 ? 21 GLU B CD 1
623
+ ATOM 170 O OE1 . GLU A 1 21 ? 5.281 70.997 -35.152 1.00 61.35 ? 21 GLU B OE1 1
624
+ ATOM 171 O OE2 . GLU A 1 21 ? 4.776 72.610 -36.628 1.00 58.91 ? 21 GLU B OE2 1
625
+ ATOM 172 N N . PRO A 1 22 ? 5.483 67.499 -40.851 1.00 42.94 ? 22 PRO B N 1
626
+ ATOM 173 C CA . PRO A 1 22 ? 5.832 67.317 -42.280 1.00 41.64 ? 22 PRO B CA 1
627
+ ATOM 174 C C . PRO A 1 22 ? 4.639 67.640 -43.190 1.00 41.06 ? 22 PRO B C 1
628
+ ATOM 175 O O . PRO A 1 22 ? 3.506 67.279 -42.836 1.00 40.77 ? 22 PRO B O 1
629
+ ATOM 176 C CB . PRO A 1 22 ? 6.153 65.824 -42.350 1.00 41.74 ? 22 PRO B CB 1
630
+ ATOM 177 C CG . PRO A 1 22 ? 5.369 65.211 -41.224 1.00 42.34 ? 22 PRO B CG 1
631
+ ATOM 178 C CD . PRO A 1 22 ? 5.457 66.228 -40.108 1.00 40.79 ? 22 PRO B CD 1
632
+ ATOM 179 N N . TYR A 1 23 ? 4.862 68.339 -44.302 1.00 38.65 ? 23 TYR B N 1
633
+ ATOM 180 C CA . TYR A 1 23 ? 3.862 68.362 -45.347 1.00 38.11 ? 23 TYR B CA 1
634
+ ATOM 181 C C . TYR A 1 23 ? 4.494 67.932 -46.667 1.00 37.42 ? 23 TYR B C 1
635
+ ATOM 182 O O . TYR A 1 23 ? 5.703 68.087 -46.862 1.00 38.69 ? 23 TYR B O 1
636
+ ATOM 183 C CB . TYR A 1 23 ? 3.244 69.745 -45.531 1.00 37.87 ? 23 TYR B CB 1
637
+ ATOM 184 C CG . TYR A 1 23 ? 4.192 70.812 -46.057 1.00 39.37 ? 23 TYR B CG 1
638
+ ATOM 185 C CD1 . TYR A 1 23 ? 4.257 71.103 -47.422 1.00 39.75 ? 23 TYR B CD1 1
639
+ ATOM 186 C CD2 . TYR A 1 23 ? 4.998 71.567 -45.180 1.00 39.00 ? 23 TYR B CD2 1
640
+ ATOM 187 C CE1 . TYR A 1 23 ? 5.114 72.103 -47.922 1.00 42.10 ? 23 TYR B CE1 1
641
+ ATOM 188 C CE2 . TYR A 1 23 ? 5.858 72.576 -45.666 1.00 37.16 ? 23 TYR B CE2 1
642
+ ATOM 189 C CZ . TYR A 1 23 ? 5.928 72.829 -47.027 1.00 43.08 ? 23 TYR B CZ 1
643
+ ATOM 190 O OH . TYR A 1 23 ? 6.790 73.827 -47.514 1.00 46.15 ? 23 TYR B OH 1
644
+ ATOM 191 N N . GLY A 1 24 ? 3.667 67.416 -47.576 1.00 36.78 ? 24 GLY B N 1
645
+ ATOM 192 C CA . GLY A 1 24 ? 4.056 67.104 -48.965 1.00 34.57 ? 24 GLY B CA 1
646
+ ATOM 193 C C . GLY A 1 24 ? 3.454 65.752 -49.284 1.00 34.29 ? 24 GLY B C 1
647
+ ATOM 194 O O . GLY A 1 24 ? 2.273 65.536 -49.003 1.00 35.21 ? 24 GLY B O 1
648
+ ATOM 195 N N . TYR A 1 25 ? 4.263 64.810 -49.795 1.00 32.60 ? 25 TYR B N 1
649
+ ATOM 196 C CA . TYR A 1 25 ? 3.770 63.479 -50.113 1.00 30.55 ? 25 TYR B CA 1
650
+ ATOM 197 C C . TYR A 1 25 ? 4.928 62.493 -50.068 1.00 29.76 ? 25 TYR B C 1
651
+ ATOM 198 O O . TYR A 1 25 ? 6.079 62.890 -50.181 1.00 28.39 ? 25 TYR B O 1
652
+ ATOM 199 C CB . TYR A 1 25 ? 3.081 63.471 -51.539 1.00 30.14 ? 25 TYR B CB 1
653
+ ATOM 200 C CG . TYR A 1 25 ? 4.032 63.792 -52.693 1.00 31.03 ? 25 TYR B CG 1
654
+ ATOM 201 C CD1 . TYR A 1 25 ? 4.896 62.796 -53.224 1.00 26.97 ? 25 TYR B CD1 1
655
+ ATOM 202 C CD2 . TYR A 1 25 ? 4.109 65.078 -53.225 1.00 30.85 ? 25 TYR B CD2 1
656
+ ATOM 203 C CE1 . TYR A 1 25 ? 5.790 63.087 -54.259 1.00 29.84 ? 25 TYR B CE1 1
657
+ ATOM 204 C CE2 . TYR A 1 25 ? 4.998 65.377 -54.324 1.00 30.19 ? 25 TYR B CE2 1
658
+ ATOM 205 C CZ . TYR A 1 25 ? 5.840 64.374 -54.783 1.00 32.73 ? 25 TYR B CZ 1
659
+ ATOM 206 O OH . TYR A 1 25 ? 6.728 64.610 -55.802 1.00 37.45 ? 25 TYR B OH 1
660
+ ATOM 207 N N . ILE A 1 26 ? 4.603 61.209 -49.954 1.00 29.40 ? 26 ILE B N 1
661
+ ATOM 208 C CA . ILE A 1 26 ? 5.519 60.119 -50.213 1.00 29.02 ? 26 ILE B CA 1
662
+ ATOM 209 C C . ILE A 1 26 ? 4.763 59.108 -51.103 1.00 30.19 ? 26 ILE B C 1
663
+ ATOM 210 O O . ILE A 1 26 ? 3.544 58.808 -50.898 1.00 30.37 ? 26 ILE B O 1
664
+ ATOM 211 C CB . ILE A 1 26 ? 6.013 59.429 -48.898 1.00 29.87 ? 26 ILE B CB 1
665
+ ATOM 212 C CG1 . ILE A 1 26 ? 6.805 60.441 -48.019 1.00 29.54 ? 26 ILE B CG1 1
666
+ ATOM 213 C CG2 . ILE A 1 26 ? 6.882 58.151 -49.177 1.00 27.78 ? 26 ILE B CG2 1
667
+ ATOM 214 C CD1 . ILE A 1 26 ? 6.791 60.059 -46.518 1.00 28.08 ? 26 ILE B CD1 1
668
+ ATOM 215 N N . LYS A 1 27 ? 5.465 58.585 -52.090 1.00 29.42 ? 27 LYS B N 1
669
+ ATOM 216 C CA . LYS A 1 27 ? 4.852 57.657 -53.034 1.00 30.68 ? 27 LYS B CA 1
670
+ ATOM 217 C C . LYS A 1 27 ? 5.702 56.430 -53.182 1.00 29.97 ? 27 LYS B C 1
671
+ ATOM 218 O O . LYS A 1 27 ? 6.889 56.474 -52.940 1.00 31.16 ? 27 LYS B O 1
672
+ ATOM 219 C CB . LYS A 1 27 ? 4.727 58.293 -54.406 1.00 29.47 ? 27 LYS B CB 1
673
+ ATOM 220 C CG . LYS A 1 27 ? 3.730 59.437 -54.410 1.00 34.37 ? 27 LYS B CG 1
674
+ ATOM 221 C CD . LYS A 1 27 ? 3.647 60.045 -55.805 1.00 37.49 ? 27 LYS B CD 1
675
+ ATOM 222 C CE . LYS A 1 27 ? 2.751 61.274 -55.794 1.00 41.86 ? 27 LYS B CE 1
676
+ ATOM 223 N NZ . LYS A 1 27 ? 2.717 61.877 -57.173 1.00 47.26 ? 27 LYS B NZ 1
677
+ ATOM 224 N N . ALA A 1 28 ? 5.084 55.368 -53.635 1.00 29.29 ? 28 ALA B N 1
678
+ ATOM 225 C CA . ALA A 1 28 ? 5.756 54.134 -53.902 1.00 29.47 ? 28 ALA B CA 1
679
+ ATOM 226 C C . ALA A 1 28 ? 5.389 53.633 -55.323 1.00 28.77 ? 28 ALA B C 1
680
+ ATOM 227 O O . ALA A 1 28 ? 4.367 54.079 -55.909 1.00 27.38 ? 28 ALA B O 1
681
+ ATOM 228 C CB . ALA A 1 28 ? 5.289 53.139 -52.888 1.00 28.88 ? 28 ALA B CB 1
682
+ ATOM 229 N N . TYR A 1 29 ? 6.159 52.670 -55.818 1.00 27.85 ? 29 TYR B N 1
683
+ ATOM 230 C CA . TYR A 1 29 ? 5.778 51.899 -56.990 1.00 28.47 ? 29 TYR B CA 1
684
+ ATOM 231 C C . TYR A 1 29 ? 6.510 50.588 -56.907 1.00 30.03 ? 29 TYR B C 1
685
+ ATOM 232 O O . TYR A 1 29 ? 7.567 50.510 -56.256 1.00 31.12 ? 29 TYR B O 1
686
+ ATOM 233 C CB . TYR A 1 29 ? 6.156 52.641 -58.315 1.00 27.53 ? 29 TYR B CB 1
687
+ ATOM 234 C CG . TYR A 1 29 ? 7.660 52.956 -58.550 1.00 28.30 ? 29 TYR B CG 1
688
+ ATOM 235 C CD1 . TYR A 1 29 ? 8.454 52.104 -59.266 1.00 30.77 ? 29 TYR B CD1 1
689
+ ATOM 236 C CD2 . TYR A 1 29 ? 8.226 54.128 -58.114 1.00 25.91 ? 29 TYR B CD2 1
690
+ ATOM 237 C CE1 . TYR A 1 29 ? 9.818 52.355 -59.473 1.00 30.36 ? 29 TYR B CE1 1
691
+ ATOM 238 C CE2 . TYR A 1 29 ? 9.569 54.429 -58.360 1.00 26.57 ? 29 TYR B CE2 1
692
+ ATOM 239 C CZ . TYR A 1 29 ? 10.354 53.521 -59.040 1.00 27.42 ? 29 TYR B CZ 1
693
+ ATOM 240 O OH . TYR A 1 29 ? 11.690 53.748 -59.278 1.00 24.06 ? 29 TYR B OH 1
694
+ ATOM 241 N N . LEU A 1 30 ? 6.022 49.569 -57.595 1.00 30.57 ? 30 LEU B N 1
695
+ ATOM 242 C CA . LEU A 1 30 ? 6.731 48.309 -57.647 1.00 32.48 ? 30 LEU B CA 1
696
+ ATOM 243 C C . LEU A 1 30 ? 7.899 48.301 -58.628 1.00 33.64 ? 30 LEU B C 1
697
+ ATOM 244 O O . LEU A 1 30 ? 9.085 48.322 -58.213 1.00 33.41 ? 30 LEU B O 1
698
+ ATOM 245 C CB . LEU A 1 30 ? 5.779 47.150 -57.935 1.00 33.00 ? 30 LEU B CB 1
699
+ ATOM 246 C CG . LEU A 1 30 ? 4.994 46.624 -56.710 1.00 35.43 ? 30 LEU B CG 1
700
+ ATOM 247 C CD1 . LEU A 1 30 ? 4.498 47.689 -55.764 1.00 32.83 ? 30 LEU B CD1 1
701
+ ATOM 248 C CD2 . LEU A 1 30 ? 3.772 45.731 -57.138 1.00 35.79 ? 30 LEU B CD2 1
702
+ ATOM 249 N N . THR A 1 31 ? 7.593 48.283 -59.925 1.00 34.31 ? 31 THR B N 1
703
+ ATOM 250 C CA . THR A 1 31 ? 8.683 48.153 -60.902 1.00 33.46 ? 31 THR B CA 1
704
+ ATOM 251 C C . THR A 1 31 ? 8.636 49.209 -61.943 1.00 33.18 ? 31 THR B C 1
705
+ ATOM 252 O O . THR A 1 31 ? 9.669 49.473 -62.592 1.00 32.88 ? 31 THR B O 1
706
+ ATOM 253 C CB . THR A 1 31 ? 8.692 46.802 -61.568 1.00 33.99 ? 31 THR B CB 1
707
+ ATOM 254 O OG1 . THR A 1 31 ? 7.385 46.537 -62.038 1.00 37.66 ? 31 THR B OG1 1
708
+ ATOM 255 C CG2 . THR A 1 31 ? 9.034 45.652 -60.508 1.00 34.36 ? 31 THR B CG2 1
709
+ ATOM 256 N N . ASN A 1 32 ? 7.450 49.809 -62.112 1.00 32.64 ? 32 ASN B N 1
710
+ ATOM 257 C CA . ASN A 1 32 ? 7.229 50.845 -63.116 1.00 31.85 ? 32 ASN B CA 1
711
+ ATOM 258 C C . ASN A 1 32 ? 7.072 52.207 -62.486 1.00 30.33 ? 32 ASN B C 1
712
+ ATOM 259 O O . ASN A 1 32 ? 6.088 52.479 -61.866 1.00 29.43 ? 32 ASN B O 1
713
+ ATOM 260 C CB . ASN A 1 32 ? 5.983 50.515 -64.012 1.00 30.95 ? 32 ASN B CB 1
714
+ ATOM 261 C CG . ASN A 1 32 ? 5.845 51.512 -65.221 1.00 32.44 ? 32 ASN B CG 1
715
+ ATOM 262 O OD1 . ASN A 1 32 ? 6.190 52.718 -65.101 1.00 27.38 ? 32 ASN B OD1 1
716
+ ATOM 263 N ND2 . ASN A 1 32 ? 5.350 50.994 -66.402 1.00 30.49 ? 32 ASN B ND2 1
717
+ ATOM 264 N N . PRO A 1 33 ? 8.015 53.099 -62.704 1.00 31.22 ? 33 PRO B N 1
718
+ ATOM 265 C CA . PRO A 1 33 ? 7.962 54.410 -61.990 1.00 32.39 ? 33 PRO B CA 1
719
+ ATOM 266 C C . PRO A 1 33 ? 6.719 55.255 -62.317 1.00 34.29 ? 33 PRO B C 1
720
+ ATOM 267 O O . PRO A 1 33 ? 6.365 56.161 -61.505 1.00 34.20 ? 33 PRO B O 1
721
+ ATOM 268 C CB . PRO A 1 33 ? 9.195 55.153 -62.515 1.00 31.23 ? 33 PRO B CB 1
722
+ ATOM 269 C CG . PRO A 1 33 ? 10.136 54.081 -62.854 1.00 31.69 ? 33 PRO B CG 1
723
+ ATOM 270 C CD . PRO A 1 33 ? 9.286 52.916 -63.423 1.00 30.60 ? 33 PRO B CD 1
724
+ ATOM 271 N N . ASP A 1 34 ? 6.072 55.001 -63.479 1.00 32.62 ? 34 ASP B N 1
725
+ ATOM 272 C CA . ASP A 1 34 ? 4.841 55.717 -63.750 1.00 33.24 ? 34 ASP B CA 1
726
+ ATOM 273 C C . ASP A 1 34 ? 3.673 55.156 -62.964 1.00 32.22 ? 34 ASP B C 1
727
+ ATOM 274 O O . ASP A 1 34 ? 2.647 55.785 -62.957 1.00 33.51 ? 34 ASP B O 1
728
+ ATOM 275 C CB . ASP A 1 34 ? 4.401 55.602 -65.227 1.00 34.19 ? 34 ASP B CB 1
729
+ ATOM 276 C CG . ASP A 1 34 ? 5.389 56.222 -66.235 1.00 36.97 ? 34 ASP B CG 1
730
+ ATOM 277 O OD1 . ASP A 1 34 ? 5.460 55.670 -67.378 1.00 35.88 ? 34 ASP B OD1 1
731
+ ATOM 278 O OD2 . ASP A 1 34 ? 6.019 57.236 -65.911 1.00 34.95 ? 34 ASP B OD2 1
732
+ ATOM 279 N N . HIS A 1 35 ? 3.748 53.937 -62.443 1.00 30.89 ? 35 HIS B N 1
733
+ ATOM 280 C CA . HIS A 1 35 ? 2.644 53.381 -61.653 1.00 31.43 ? 35 HIS B CA 1
734
+ ATOM 281 C C . HIS A 1 35 ? 2.875 53.558 -60.161 1.00 31.43 ? 35 HIS B C 1
735
+ ATOM 282 O O . HIS A 1 35 ? 2.883 52.588 -59.381 1.00 32.05 ? 35 HIS B O 1
736
+ ATOM 283 C CB . HIS A 1 35 ? 2.417 51.917 -62.003 1.00 31.10 ? 35 HIS B CB 1
737
+ ATOM 284 C CG . HIS A 1 35 ? 2.100 51.712 -63.457 1.00 34.38 ? 35 HIS B CG 1
738
+ ATOM 285 N ND1 . HIS A 1 35 ? 2.170 50.479 -64.074 1.00 34.40 ? 35 HIS B ND1 1
739
+ ATOM 286 C CD2 . HIS A 1 35 ? 1.705 52.600 -64.412 1.00 28.93 ? 35 HIS B CD2 1
740
+ ATOM 287 C CE1 . HIS A 1 35 ? 1.830 50.616 -65.342 1.00 35.60 ? 35 HIS B CE1 1
741
+ ATOM 288 N NE2 . HIS A 1 35 ? 1.565 51.896 -65.567 1.00 33.30 ? 35 HIS B NE2 1
742
+ ATOM 289 N N . ASP A 1 36 ? 3.030 54.809 -59.764 1.00 30.68 ? 36 ASP B N 1
743
+ ATOM 290 C CA . ASP A 1 36 ? 3.297 55.098 -58.398 1.00 32.27 ? 36 ASP B CA 1
744
+ ATOM 291 C C . ASP A 1 36 ? 2.010 55.466 -57.664 1.00 33.02 ? 36 ASP B C 1
745
+ ATOM 292 O O . ASP A 1 36 ? 1.002 55.837 -58.261 1.00 32.71 ? 36 ASP B O 1
746
+ ATOM 293 C CB . ASP A 1 36 ? 4.335 56.205 -58.279 1.00 30.52 ? 36 ASP B CB 1
747
+ ATOM 294 C CG . ASP A 1 36 ? 3.866 57.483 -58.917 1.00 34.78 ? 36 ASP B CG 1
748
+ ATOM 295 O OD1 . ASP A 1 36 ? 4.540 58.521 -58.752 1.00 37.51 ? 36 ASP B OD1 1
749
+ ATOM 296 O OD2 . ASP A 1 36 ? 2.816 57.470 -59.586 1.00 34.42 ? 36 ASP B OD2 1
750
+ ATOM 297 N N . PHE A 1 37 ? 2.058 55.386 -56.346 1.00 33.46 ? 37 PHE B N 1
751
+ ATOM 298 C CA . PHE A 1 37 ? 0.865 55.660 -55.571 1.00 33.13 ? 37 PHE B CA 1
752
+ ATOM 299 C C . PHE A 1 37 ? 1.248 56.301 -54.257 1.00 33.68 ? 37 PHE B C 1
753
+ ATOM 300 O O . PHE A 1 37 ? 2.329 56.035 -53.753 1.00 33.14 ? 37 PHE B O 1
754
+ ATOM 301 C CB . PHE A 1 37 ? 0.066 54.371 -55.414 1.00 32.24 ? 37 PHE B CB 1
755
+ ATOM 302 C CG . PHE A 1 37 ? 0.857 53.188 -54.929 1.00 29.92 ? 37 PHE B CG 1
756
+ ATOM 303 C CD1 . PHE A 1 37 ? 0.911 52.893 -53.571 1.00 28.70 ? 37 PHE B CD1 1
757
+ ATOM 304 C CD2 . PHE A 1 37 ? 1.480 52.330 -55.815 1.00 28.61 ? 37 PHE B CD2 1
758
+ ATOM 305 C CE1 . PHE A 1 37 ? 1.604 51.797 -53.081 1.00 27.26 ? 37 PHE B CE1 1
759
+ ATOM 306 C CE2 . PHE A 1 37 ? 2.182 51.205 -55.371 1.00 28.74 ? 37 PHE B CE2 1
760
+ ATOM 307 C CZ . PHE A 1 37 ? 2.269 50.944 -53.969 1.00 29.40 ? 37 PHE B CZ 1
761
+ ATOM 308 N N . GLU A 1 38 ? 0.416 57.188 -53.740 1.00 34.44 ? 38 GLU B N 1
762
+ ATOM 309 C CA . GLU A 1 38 ? 0.695 57.751 -52.429 1.00 37.03 ? 38 GLU B CA 1
763
+ ATOM 310 C C . GLU A 1 38 ? 0.466 56.810 -51.281 1.00 36.32 ? 38 GLU B C 1
764
+ ATOM 311 O O . GLU A 1 38 ? -0.533 56.072 -51.238 1.00 36.44 ? 38 GLU B O 1
765
+ ATOM 312 C CB . GLU A 1 38 ? 0.009 59.083 -52.110 1.00 37.76 ? 38 GLU B CB 1
766
+ ATOM 313 C CG . GLU A 1 38 ? -1.257 59.324 -52.763 1.00 47.45 ? 38 GLU B CG 1
767
+ ATOM 314 C CD . GLU A 1 38 ? -1.048 59.837 -54.170 1.00 55.98 ? 38 GLU B CD 1
768
+ ATOM 315 O OE1 . GLU A 1 38 ? -1.292 59.003 -55.092 1.00 59.55 ? 38 GLU B OE1 1
769
+ ATOM 316 O OE2 . GLU A 1 38 ? -0.657 61.036 -54.331 1.00 59.03 ? 38 GLU B OE2 1
770
+ ATOM 317 N N . ILE A 1 39 ? 1.448 56.813 -50.390 1.00 35.10 ? 39 ILE B N 1
771
+ ATOM 318 C CA . ILE A 1 39 ? 1.325 56.148 -49.099 1.00 35.44 ? 39 ILE B CA 1
772
+ ATOM 319 C C . ILE A 1 39 ? 1.202 57.169 -47.961 1.00 35.58 ? 39 ILE B C 1
773
+ ATOM 320 O O . ILE A 1 39 ? 0.878 56.813 -46.836 1.00 35.83 ? 39 ILE B O 1
774
+ ATOM 321 C CB . ILE A 1 39 ? 2.476 55.097 -48.878 1.00 34.91 ? 39 ILE B CB 1
775
+ ATOM 322 C CG1 . ILE A 1 39 ? 3.837 55.782 -48.661 1.00 33.39 ? 39 ILE B CG1 1
776
+ ATOM 323 C CG2 . ILE A 1 39 ? 2.480 54.128 -50.071 1.00 35.63 ? 39 ILE B CG2 1
777
+ ATOM 324 C CD1 . ILE A 1 39 ? 4.986 54.849 -48.114 1.00 31.69 ? 39 ILE B CD1 1
778
+ ATOM 325 N N . TRP A 1 40 ? 1.411 58.440 -48.279 1.00 34.98 ? 40 TRP B N 1
779
+ ATOM 326 C CA . TRP A 1 40 ? 1.233 59.481 -47.317 1.00 35.07 ? 40 TRP B CA 1
780
+ ATOM 327 C C . TRP A 1 40 ? 1.170 60.800 -48.036 1.00 35.81 ? 40 TRP B C 1
781
+ ATOM 328 O O . TRP A 1 40 ? 1.953 61.052 -48.948 1.00 35.39 ? 40 TRP B O 1
782
+ ATOM 329 C CB . TRP A 1 40 ? 2.409 59.526 -46.319 1.00 35.35 ? 40 TRP B CB 1
783
+ ATOM 330 C CG . TRP A 1 40 ? 2.380 60.710 -45.409 1.00 32.17 ? 40 TRP B CG 1
784
+ ATOM 331 C CD1 . TRP A 1 40 ? 1.725 60.794 -44.210 1.00 33.48 ? 40 TRP B CD1 1
785
+ ATOM 332 C CD2 . TRP A 1 40 ? 3.015 61.989 -45.614 1.00 32.91 ? 40 TRP B CD2 1
786
+ ATOM 333 N NE1 . TRP A 1 40 ? 1.891 62.056 -43.662 1.00 32.64 ? 40 TRP B NE1 1
787
+ ATOM 334 C CE2 . TRP A 1 40 ? 2.708 62.794 -44.477 1.00 34.05 ? 40 TRP B CE2 1
788
+ ATOM 335 C CE3 . TRP A 1 40 ? 3.828 62.528 -46.637 1.00 31.69 ? 40 TRP B CE3 1
789
+ ATOM 336 C CZ2 . TRP A 1 40 ? 3.165 64.118 -44.340 1.00 34.69 ? 40 TRP B CZ2 1
790
+ ATOM 337 C CZ3 . TRP A 1 40 ? 4.316 63.811 -46.506 1.00 31.87 ? 40 TRP B CZ3 1
791
+ ATOM 338 C CH2 . TRP A 1 40 ? 3.966 64.620 -45.345 1.00 36.94 ? 40 TRP B CH2 1
792
+ ATOM 339 N N . LYS A 1 41 ? 0.298 61.678 -47.549 1.00 37.96 ? 41 LYS B N 1
793
+ ATOM 340 C CA . LYS A 1 41 ? 0.046 62.998 -48.146 1.00 40.81 ? 41 LYS B CA 1
794
+ ATOM 341 C C . LYS A 1 41 ? -0.447 63.971 -47.053 1.00 42.08 ? 41 LYS B C 1
795
+ ATOM 342 O O . LYS A 1 41 ? -1.324 63.623 -46.243 1.00 43.23 ? 41 LYS B O 1
796
+ ATOM 343 C CB . LYS A 1 41 ? -1.034 62.867 -49.231 1.00 40.54 ? 41 LYS B CB 1
797
+ ATOM 344 C CG . LYS A 1 41 ? -1.197 64.100 -50.124 1.00 45.75 ? 41 LYS B CG 1
798
+ ATOM 345 C CD . LYS A 1 41 ? -2.372 63.870 -51.097 1.00 54.59 ? 41 LYS B CD 1
799
+ ATOM 346 C CE . LYS A 1 41 ? -2.725 65.181 -51.840 1.00 59.90 ? 41 LYS B CE 1
800
+ ATOM 347 N NZ . LYS A 1 41 ? -1.837 65.391 -53.046 1.00 63.31 ? 41 LYS B NZ 1
801
+ ATOM 348 N N . GLN A 1 42 ? 0.117 65.167 -46.998 1.00 43.04 ? 42 GLN B N 1
802
+ ATOM 349 C CA . GLN A 1 42 ? -0.403 66.178 -46.097 1.00 44.41 ? 42 GLN B CA 1
803
+ ATOM 350 C C . GLN A 1 42 ? -0.122 67.494 -46.763 1.00 46.16 ? 42 GLN B C 1
804
+ ATOM 351 O O . GLN A 1 42 ? 1.045 67.797 -47.070 1.00 45.08 ? 42 GLN B O 1
805
+ ATOM 352 C CB . GLN A 1 42 ? 0.278 66.114 -44.705 1.00 44.75 ? 42 GLN B CB 1
806
+ ATOM 353 C CG . GLN A 1 42 ? 0.002 67.345 -43.775 1.00 43.71 ? 42 GLN B CG 1
807
+ ATOM 354 C CD . GLN A 1 42 ? -1.490 67.517 -43.502 1.00 47.20 ? 42 GLN B CD 1
808
+ ATOM 355 O OE1 . GLN A 1 42 ? -2.133 66.650 -42.879 1.00 47.96 ? 42 GLN B OE1 1
809
+ ATOM 356 N NE2 . GLN A 1 42 ? -2.059 68.631 -43.981 1.00 48.81 ? 42 GLN B NE2 1
810
+ ATOM 357 N N . ASP A 1 43 ? -1.186 68.271 -47.010 1.00 48.21 ? 43 ASP B N 1
811
+ ATOM 358 C CA . ASP A 1 43 ? -1.045 69.596 -47.595 1.00 50.18 ? 43 ASP B CA 1
812
+ ATOM 359 C C . ASP A 1 43 ? -0.456 70.575 -46.620 1.00 51.32 ? 43 ASP B C 1
813
+ ATOM 360 O O . ASP A 1 43 ? -0.625 70.448 -45.405 1.00 50.64 ? 43 ASP B O 1
814
+ ATOM 361 C CB . ASP A 1 43 ? -2.366 70.122 -48.112 1.00 51.16 ? 43 ASP B CB 1
815
+ ATOM 362 C CG . ASP A 1 43 ? -2.912 69.293 -49.239 1.00 53.88 ? 43 ASP B CG 1
816
+ ATOM 363 O OD1 . ASP A 1 43 ? -4.141 69.269 -49.316 1.00 57.44 ? 43 ASP B OD1 1
817
+ ATOM 364 O OD2 . ASP A 1 43 ? -2.140 68.655 -50.011 1.00 53.37 ? 43 ASP B OD2 1
818
+ ATOM 365 N N . ASP A 1 44 ? 0.257 71.537 -47.188 1.00 53.40 ? 44 ASP B N 1
819
+ ATOM 366 C CA . ASP A 1 44 ? 0.933 72.583 -46.446 1.00 56.50 ? 44 ASP B CA 1
820
+ ATOM 367 C C . ASP A 1 44 ? -0.089 73.508 -45.830 1.00 58.96 ? 44 ASP B C 1
821
+ ATOM 368 O O . ASP A 1 44 ? -0.679 74.373 -46.547 1.00 59.07 ? 44 ASP B O 1
822
+ ATOM 369 C CB . ASP A 1 44 ? 1.821 73.405 -47.395 1.00 56.31 ? 44 ASP B CB 1
823
+ ATOM 370 C CG . ASP A 1 44 ? 2.428 74.637 -46.731 1.00 57.78 ? 44 ASP B CG 1
824
+ ATOM 371 O OD1 . ASP A 1 44 ? 2.250 74.834 -45.499 1.00 59.31 ? 44 ASP B OD1 1
825
+ ATOM 372 O OD2 . ASP A 1 44 ? 3.091 75.421 -47.466 1.00 59.01 ? 44 ASP B OD2 1
826
+ ATOM 373 N N . TRP A 1 45 ? -0.280 73.351 -44.524 1.00 60.93 ? 45 TRP B N 1
827
+ ATOM 374 C CA . TRP A 1 45 ? -1.086 74.308 -43.757 1.00 63.63 ? 45 TRP B CA 1
828
+ ATOM 375 C C . TRP A 1 45 ? -0.219 75.228 -42.898 1.00 65.78 ? 45 TRP B C 1
829
+ ATOM 376 O O . TRP A 1 45 ? -0.718 75.780 -41.907 1.00 66.46 ? 45 TRP B O 1
830
+ ATOM 377 C CB . TRP A 1 45 ? -2.112 73.609 -42.838 1.00 62.79 ? 45 TRP B CB 1
831
+ ATOM 378 C CG . TRP A 1 45 ? -3.060 72.726 -43.538 1.00 60.70 ? 45 TRP B CG 1
832
+ ATOM 379 C CD1 . TRP A 1 45 ? -3.416 72.780 -44.863 1.00 61.52 ? 45 TRP B CD1 1
833
+ ATOM 380 C CD2 . TRP A 1 45 ? -3.802 71.650 -42.964 1.00 58.45 ? 45 TRP B CD2 1
834
+ ATOM 381 N NE1 . TRP A 1 45 ? -4.313 71.770 -45.154 1.00 59.44 ? 45 TRP B NE1 1
835
+ ATOM 382 C CE2 . TRP A 1 45 ? -4.571 71.069 -44.002 1.00 58.88 ? 45 TRP B CE2 1
836
+ ATOM 383 C CE3 . TRP A 1 45 ? -3.874 71.096 -41.674 1.00 57.45 ? 45 TRP B CE3 1
837
+ ATOM 384 C CZ2 . TRP A 1 45 ? -5.429 69.975 -43.778 1.00 58.69 ? 45 TRP B CZ2 1
838
+ ATOM 385 C CZ3 . TRP A 1 45 ? -4.710 69.997 -41.460 1.00 54.87 ? 45 TRP B CZ3 1
839
+ ATOM 386 C CH2 . TRP A 1 45 ? -5.472 69.449 -42.508 1.00 55.12 ? 45 TRP B CH2 1
840
+ ATOM 387 N N . GLY A 1 46 ? 1.060 75.396 -43.248 1.00 67.88 ? 46 GLY B N 1
841
+ ATOM 388 C CA . GLY A 1 46 ? 1.983 76.147 -42.354 1.00 70.21 ? 46 GLY B CA 1
842
+ ATOM 389 C C . GLY A 1 46 ? 1.760 75.810 -40.858 1.00 71.43 ? 46 GLY B C 1
843
+ ATOM 390 O O . GLY A 1 46 ? 1.611 74.626 -40.479 1.00 71.59 ? 46 GLY B O 1
844
+ ATOM 391 N N . LYS A 1 47 ? 1.700 76.844 -40.013 1.00 71.84 ? 47 LYS B N 1
845
+ ATOM 392 C CA . LYS A 1 47 ? 1.498 76.698 -38.536 1.00 72.32 ? 47 LYS B CA 1
846
+ ATOM 393 C C . LYS A 1 47 ? 0.410 75.693 -38.063 1.00 71.41 ? 47 LYS B C 1
847
+ ATOM 394 O O . LYS A 1 47 ? 0.496 75.153 -36.959 1.00 71.03 ? 47 LYS B O 1
848
+ ATOM 395 C CB . LYS A 1 47 ? 1.312 78.090 -37.852 1.00 73.19 ? 47 LYS B CB 1
849
+ ATOM 396 C CG . LYS A 1 47 ? 0.754 79.237 -38.764 1.00 75.61 ? 47 LYS B CG 1
850
+ ATOM 397 C CD . LYS A 1 47 ? -0.785 79.148 -38.954 1.00 80.08 ? 47 LYS B CD 1
851
+ ATOM 398 C CE . LYS A 1 47 ? -1.278 79.962 -40.161 1.00 82.28 ? 47 LYS B CE 1
852
+ ATOM 399 N NZ . LYS A 1 47 ? -1.157 81.446 -39.937 1.00 83.30 ? 47 LYS B NZ 1
853
+ ATOM 400 N N . SER A 1 48 ? -0.585 75.436 -38.911 1.00 69.98 ? 48 SER B N 1
854
+ ATOM 401 C CA . SER A 1 48 ? -1.626 74.460 -38.618 1.00 68.72 ? 48 SER B CA 1
855
+ ATOM 402 C C . SER A 1 48 ? -1.268 73.024 -39.080 1.00 66.82 ? 48 SER B C 1
856
+ ATOM 403 O O . SER A 1 48 ? -2.055 72.074 -38.855 1.00 66.09 ? 48 SER B O 1
857
+ ATOM 404 C CB . SER A 1 48 ? -2.954 74.896 -39.285 1.00 69.63 ? 48 SER B CB 1
858
+ ATOM 405 O OG . SER A 1 48 ? -3.552 76.017 -38.626 1.00 72.44 ? 48 SER B OG 1
859
+ ATOM 406 N N . THR A 1 49 ? -0.124 72.861 -39.751 1.00 63.92 ? 49 THR B N 1
860
+ ATOM 407 C CA . THR A 1 49 ? 0.257 71.530 -40.246 1.00 61.92 ? 49 THR B CA 1
861
+ ATOM 408 C C . THR A 1 49 ? 0.386 70.593 -39.043 1.00 60.10 ? 49 THR B C 1
862
+ ATOM 409 O O . THR A 1 49 ? 0.974 70.961 -38.032 1.00 60.80 ? 49 THR B O 1
863
+ ATOM 410 C CB . THR A 1 49 ? 1.536 71.560 -41.132 1.00 61.76 ? 49 THR B CB 1
864
+ ATOM 411 O OG1 . THR A 1 49 ? 1.339 72.448 -42.251 1.00 62.12 ? 49 THR B OG1 1
865
+ ATOM 412 C CG2 . THR A 1 49 ? 1.895 70.166 -41.645 1.00 60.98 ? 49 THR B CG2 1
866
+ ATOM 413 N N . PRO A 1 50 ? -0.221 69.408 -39.125 1.00 58.09 ? 50 PRO B N 1
867
+ ATOM 414 C CA . PRO A 1 50 ? -0.138 68.475 -37.995 1.00 56.90 ? 50 PRO B CA 1
868
+ ATOM 415 C C . PRO A 1 50 ? 1.270 67.942 -37.635 1.00 56.68 ? 50 PRO B C 1
869
+ ATOM 416 O O . PRO A 1 50 ? 2.162 67.772 -38.507 1.00 55.70 ? 50 PRO B O 1
870
+ ATOM 417 C CB . PRO A 1 50 ? -1.038 67.305 -38.412 1.00 56.90 ? 50 PRO B CB 1
871
+ ATOM 418 C CG . PRO A 1 50 ? -1.720 67.703 -39.685 1.00 55.57 ? 50 PRO B CG 1
872
+ ATOM 419 C CD . PRO A 1 50 ? -1.077 68.922 -40.227 1.00 57.29 ? 50 PRO B CD 1
873
+ ATOM 420 N N . GLU A 1 51 ? 1.443 67.707 -36.330 1.00 55.80 ? 51 GLU B N 1
874
+ ATOM 421 C CA . GLU A 1 51 ? 2.611 67.066 -35.782 1.00 54.92 ? 51 GLU B CA 1
875
+ ATOM 422 C C . GLU A 1 51 ? 2.520 65.606 -36.194 1.00 53.76 ? 51 GLU B C 1
876
+ ATOM 423 O O . GLU A 1 51 ? 1.465 64.979 -36.078 1.00 53.65 ? 51 GLU B O 1
877
+ ATOM 424 C CB . GLU A 1 51 ? 2.662 67.201 -34.242 1.00 54.93 ? 51 GLU B CB 1
878
+ ATOM 425 C CG . GLU A 1 51 ? 3.939 66.572 -33.599 1.00 57.17 ? 51 GLU B CG 1
879
+ ATOM 426 C CD . GLU A 1 51 ? 4.051 66.754 -32.038 1.00 61.44 ? 51 GLU B CD 1
880
+ ATOM 427 O OE1 . GLU A 1 51 ? 4.464 65.775 -31.362 1.00 63.55 ? 51 GLU B OE1 1
881
+ ATOM 428 O OE2 . GLU A 1 51 ? 3.769 67.858 -31.501 1.00 59.11 ? 51 GLU B OE2 1
882
+ ATOM 429 N N . ARG A 1 52 ? 3.621 65.064 -36.698 1.00 51.74 ? 52 ARG B N 1
883
+ ATOM 430 C CA . ARG A 1 52 ? 3.600 63.691 -37.122 1.00 49.79 ? 52 ARG B CA 1
884
+ ATOM 431 C C . ARG A 1 52 ? 4.984 63.143 -37.013 1.00 48.08 ? 52 ARG B C 1
885
+ ATOM 432 O O . ARG A 1 52 ? 5.882 63.586 -37.723 1.00 48.30 ? 52 ARG B O 1
886
+ ATOM 433 C CB . ARG A 1 52 ? 3.067 63.576 -38.572 1.00 49.76 ? 52 ARG B CB 1
887
+ ATOM 434 C CG . ARG A 1 52 ? 2.969 62.140 -39.099 1.00 51.31 ? 52 ARG B CG 1
888
+ ATOM 435 C CD . ARG A 1 52 ? 1.802 61.365 -38.509 1.00 56.39 ? 52 ARG B CD 1
889
+ ATOM 436 N NE . ARG A 1 52 ? 0.588 62.128 -38.707 1.00 62.85 ? 52 ARG B NE 1
890
+ ATOM 437 C CZ . ARG A 1 52 ? -0.656 61.685 -38.527 1.00 69.36 ? 52 ARG B CZ 1
891
+ ATOM 438 N NH1 . ARG A 1 52 ? -0.903 60.412 -38.164 1.00 71.54 ? 52 ARG B NH1 1
892
+ ATOM 439 N NH2 . ARG A 1 52 ? -1.664 62.532 -38.743 1.00 69.10 ? 52 ARG B NH2 1
893
+ ATOM 440 N N . SER A 1 53 ? 5.185 62.178 -36.137 1.00 46.78 ? 53 SER B N 1
894
+ ATOM 441 C CA . SER A 1 53 ? 6.503 61.567 -36.097 0.50 46.61 ? 53 SER B CA 1
895
+ ATOM 442 C C . SER A 1 53 ? 6.501 60.160 -36.747 1.00 46.43 ? 53 SER B C 1
896
+ ATOM 443 O O . SER A 1 53 ? 7.478 59.780 -37.393 1.00 46.04 ? 53 SER B O 1
897
+ ATOM 444 C CB . SER A 1 53 ? 7.163 61.659 -34.682 0.50 46.30 ? 53 SER B CB 1
898
+ ATOM 445 O OG . SER A 1 53 ? 6.845 60.585 -33.822 0.50 43.77 ? 53 SER B OG 1
899
+ ATOM 446 N N . THR A 1 54 ? 5.407 59.430 -36.584 1.00 46.05 ? 54 THR B N 1
900
+ ATOM 447 C CA . THR A 1 54 ? 5.217 58.124 -37.183 0.50 46.27 ? 54 THR B CA 1
901
+ ATOM 448 C C . THR A 1 54 ? 3.822 58.129 -37.779 1.00 46.89 ? 54 THR B C 1
902
+ ATOM 449 O O . THR A 1 54 ? 2.928 58.748 -37.206 1.00 47.12 ? 54 THR B O 1
903
+ ATOM 450 C CB . THR A 1 54 ? 5.279 57.002 -36.145 0.50 45.99 ? 54 THR B CB 1
904
+ ATOM 451 O OG1 . THR A 1 54 ? 6.344 57.264 -35.219 0.50 47.23 ? 54 THR B OG1 1
905
+ ATOM 452 C CG2 . THR A 1 54 ? 5.487 55.689 -36.820 0.50 42.27 ? 54 THR B CG2 1
906
+ ATOM 453 N N . TYR A 1 55 ? 3.660 57.440 -38.910 1.00 45.99 ? 55 TYR B N 1
907
+ ATOM 454 C CA . TYR A 1 55 ? 2.443 57.372 -39.667 1.00 45.21 ? 55 TYR B CA 1
908
+ ATOM 455 C C . TYR A 1 55 ? 2.386 55.952 -40.153 1.00 45.12 ? 55 TYR B C 1
909
+ ATOM 456 O O . TYR A 1 55 ? 3.370 55.424 -40.660 1.00 44.28 ? 55 TYR B O 1
910
+ ATOM 457 C CB . TYR A 1 55 ? 2.511 58.315 -40.884 1.00 45.81 ? 55 TYR B CB 1
911
+ ATOM 458 C CG . TYR A 1 55 ? 1.261 58.271 -41.705 1.00 48.74 ? 55 TYR B CG 1
912
+ ATOM 459 C CD1 . TYR A 1 55 ? 0.137 58.954 -41.284 1.00 50.69 ? 55 TYR B CD1 1
913
+ ATOM 460 C CD2 . TYR A 1 55 ? 1.168 57.489 -42.880 1.00 50.60 ? 55 TYR B CD2 1
914
+ ATOM 461 C CE1 . TYR A 1 55 ? -1.042 58.897 -41.980 1.00 52.75 ? 55 TYR B CE1 1
915
+ ATOM 462 C CE2 . TYR A 1 55 ? -0.030 57.437 -43.614 1.00 49.24 ? 55 TYR B CE2 1
916
+ ATOM 463 C CZ . TYR A 1 55 ? -1.128 58.139 -43.148 1.00 55.56 ? 55 TYR B CZ 1
917
+ ATOM 464 O OH . TYR A 1 55 ? -2.347 58.142 -43.820 1.00 60.64 ? 55 TYR B OH 1
918
+ ATOM 465 N N . THR A 1 56 ? 1.228 55.342 -40.009 1.00 45.21 ? 56 THR B N 1
919
+ ATOM 466 C CA . THR A 1 56 ? 1.020 53.978 -40.446 0.50 45.64 ? 56 THR B CA 1
920
+ ATOM 467 C C . THR A 1 56 ? -0.182 53.941 -41.389 1.00 46.58 ? 56 THR B C 1
921
+ ATOM 468 O O . THR A 1 56 ? -1.167 54.670 -41.186 1.00 47.13 ? 56 THR B O 1
922
+ ATOM 469 C CB . THR A 1 56 ? 0.829 53.061 -39.248 0.50 45.50 ? 56 THR B CB 1
923
+ ATOM 470 O OG1 . THR A 1 56 ? 1.893 53.306 -38.323 0.50 44.46 ? 56 THR B OG1 1
924
+ ATOM 471 C CG2 . THR A 1 56 ? 0.847 51.603 -39.658 0.50 44.98 ? 56 THR B CG2 1
925
+ ATOM 472 N N . GLN A 1 57 ? -0.072 53.122 -42.441 1.00 46.82 ? 57 GLN B N 1
926
+ ATOM 473 C CA . GLN A 1 57 ? -1.083 52.985 -43.495 1.00 46.89 ? 57 GLN B CA 1
927
+ ATOM 474 C C . GLN A 1 57 ? -1.054 51.602 -44.110 1.00 45.30 ? 57 GLN B C 1
928
+ ATOM 475 O O . GLN A 1 57 ? 0.039 51.059 -44.347 1.00 43.95 ? 57 GLN B O 1
929
+ ATOM 476 C CB . GLN A 1 57 ? -0.755 53.941 -44.618 1.00 47.21 ? 57 GLN B CB 1
930
+ ATOM 477 C CG . GLN A 1 57 ? -1.720 55.003 -44.657 1.00 54.70 ? 57 GLN B CG 1
931
+ ATOM 478 C CD . GLN A 1 57 ? -2.587 54.945 -45.868 1.00 56.89 ? 57 GLN B CD 1
932
+ ATOM 479 O OE1 . GLN A 1 57 ? -3.733 54.535 -45.808 1.00 57.51 ? 57 GLN B OE1 1
933
+ ATOM 480 N NE2 . GLN A 1 57 ? -2.053 55.409 -46.968 1.00 59.34 ? 57 GLN B NE2 1
934
+ ATOM 481 N N . THR A 1 58 ? -2.243 51.062 -44.395 1.00 43.66 ? 58 THR B N 1
935
+ ATOM 482 C CA . THR A 1 58 ? -2.391 49.824 -45.129 1.00 42.90 ? 58 THR B CA 1
936
+ ATOM 483 C C . THR A 1 58 ? -3.193 50.073 -46.397 1.00 42.33 ? 58 THR B C 1
937
+ ATOM 484 O O . THR A 1 58 ? -4.182 50.806 -46.385 1.00 42.97 ? 58 THR B O 1
938
+ ATOM 485 C CB . THR A 1 58 ? -2.986 48.710 -44.258 1.00 42.81 ? 58 THR B CB 1
939
+ ATOM 486 O OG1 . THR A 1 58 ? -2.148 48.563 -43.127 1.00 43.73 ? 58 THR B OG1 1
940
+ ATOM 487 C CG2 . THR A 1 58 ? -3.001 47.324 -45.020 1.00 42.06 ? 58 THR B CG2 1
941
+ ATOM 488 N N . ILE A 1 59 ? -2.739 49.450 -47.478 1.00 41.66 ? 59 ILE B N 1
942
+ ATOM 489 C CA . ILE A 1 59 ? -3.188 49.722 -48.858 0.50 40.89 ? 59 ILE B CA 1
943
+ ATOM 490 C C . ILE A 1 59 ? -3.300 48.376 -49.547 1.00 40.34 ? 59 ILE B C 1
944
+ ATOM 491 O O . ILE A 1 59 ? -2.500 47.456 -49.284 1.00 41.12 ? 59 ILE B O 1
945
+ ATOM 492 C CB . ILE A 1 59 ? -2.088 50.501 -49.662 0.50 40.50 ? 59 ILE B CB 1
946
+ ATOM 493 C CG1 . ILE A 1 59 ? -1.856 51.890 -49.117 0.50 41.04 ? 59 ILE B CG1 1
947
+ ATOM 494 C CG2 . ILE A 1 59 ? -2.481 50.713 -51.103 0.50 41.38 ? 59 ILE B CG2 1
948
+ ATOM 495 C CD1 . ILE A 1 59 ? -0.898 52.645 -49.977 0.50 40.10 ? 59 ILE B CD1 1
949
+ ATOM 496 N N . LYS A 1 60 ? -4.231 48.222 -50.468 1.00 39.11 ? 60 LYS B N 1
950
+ ATOM 497 C CA . LYS A 1 60 ? -4.226 46.951 -51.186 1.00 37.00 ? 60 LYS B CA 1
951
+ ATOM 498 C C . LYS A 1 60 ? -3.461 47.084 -52.476 1.00 36.09 ? 60 LYS B C 1
952
+ ATOM 499 O O . LYS A 1 60 ? -3.630 48.069 -53.197 1.00 34.50 ? 60 LYS B O 1
953
+ ATOM 500 C CB . LYS A 1 60 ? -5.647 46.510 -51.419 1.00 39.40 ? 60 LYS B CB 1
954
+ ATOM 501 C CG . LYS A 1 60 ? -6.196 45.672 -50.260 1.00 40.53 ? 60 LYS B CG 1
955
+ ATOM 502 C CD . LYS A 1 60 ? -7.332 46.346 -49.577 1.00 51.24 ? 60 LYS B CD 1
956
+ ATOM 503 C CE . LYS A 1 60 ? -8.038 45.359 -48.625 1.00 53.54 ? 60 LYS B CE 1
957
+ ATOM 504 N NZ . LYS A 1 60 ? -8.566 44.192 -49.421 1.00 59.10 ? 60 LYS B NZ 1
958
+ ATOM 505 N N . ILE A 1 61 ? -2.594 46.117 -52.778 1.00 34.79 ? 61 ILE B N 1
959
+ ATOM 506 C CA . ILE A 1 61 ? -1.729 46.250 -53.913 1.00 34.17 ? 61 ILE B CA 1
960
+ ATOM 507 C C . ILE A 1 61 ? -1.458 44.933 -54.632 1.00 34.38 ? 61 ILE B C 1
961
+ ATOM 508 O O . ILE A 1 61 ? -1.653 43.878 -54.068 1.00 34.06 ? 61 ILE B O 1
962
+ ATOM 509 C CB . ILE A 1 61 ? -0.362 46.892 -53.559 1.00 34.16 ? 61 ILE B CB 1
963
+ ATOM 510 C CG1 . ILE A 1 61 ? 0.483 45.970 -52.729 1.00 34.10 ? 61 ILE B CG1 1
964
+ ATOM 511 C CG2 . ILE A 1 61 ? -0.503 48.303 -52.921 1.00 34.10 ? 61 ILE B CG2 1
965
+ ATOM 512 C CD1 . ILE A 1 61 ? 1.876 46.566 -52.471 1.00 36.02 ? 61 ILE B CD1 1
966
+ ATOM 513 N N . SER A 1 62 ? -1.028 45.011 -55.882 1.00 33.27 ? 62 SER B N 1
967
+ ATOM 514 C CA . SER A 1 62 ? -0.648 43.827 -56.646 1.00 34.06 ? 62 SER B CA 1
968
+ ATOM 515 C C . SER A 1 62 ? 0.341 44.221 -57.690 1.00 33.70 ? 62 SER B C 1
969
+ ATOM 516 O O . SER A 1 62 ? 0.479 45.427 -58.022 1.00 34.75 ? 62 SER B O 1
970
+ ATOM 517 C CB . SER A 1 62 ? -1.870 43.170 -57.303 1.00 34.96 ? 62 SER B CB 1
971
+ ATOM 518 O OG . SER A 1 62 ? -2.462 44.064 -58.243 1.00 38.13 ? 62 SER B OG 1
972
+ ATOM 519 N N . SER A 1 63 ? 1.015 43.226 -58.196 1.00 35.18 ? 63 SER B N 1
973
+ ATOM 520 C CA . SER A 1 63 ? 1.977 43.372 -59.233 1.00 37.84 ? 63 SER B CA 1
974
+ ATOM 521 C C . SER A 1 63 ? 1.398 43.131 -60.610 1.00 40.07 ? 63 SER B C 1
975
+ ATOM 522 O O . SER A 1 63 ? 0.261 42.777 -60.780 1.00 38.79 ? 63 SER B O 1
976
+ ATOM 523 C CB . SER A 1 63 ? 3.134 42.455 -58.990 1.00 37.39 ? 63 SER B CB 1
977
+ ATOM 524 O OG . SER A 1 63 ? 2.815 41.156 -59.316 1.00 39.46 ? 63 SER B OG 1
978
+ ATOM 525 N N . ASP A 1 64 ? 2.261 43.260 -61.582 1.00 44.01 ? 64 ASP B N 1
979
+ ATOM 526 C CA . ASP A 1 64 ? 1.952 43.120 -62.967 1.00 47.99 ? 64 ASP B CA 1
980
+ ATOM 527 C C . ASP A 1 64 ? 1.395 41.780 -63.249 1.00 48.08 ? 64 ASP B C 1
981
+ ATOM 528 O O . ASP A 1 64 ? 0.467 41.636 -63.985 1.00 49.46 ? 64 ASP B O 1
982
+ ATOM 529 C CB . ASP A 1 64 ? 3.307 42.914 -63.591 1.00 49.90 ? 64 ASP B CB 1
983
+ ATOM 530 C CG . ASP A 1 64 ? 3.687 43.951 -64.471 1.00 54.99 ? 64 ASP B CG 1
984
+ ATOM 531 O OD1 . ASP A 1 64 ? 4.872 44.040 -64.745 1.00 61.94 ? 64 ASP B OD1 1
985
+ ATOM 532 O OD2 . ASP A 1 64 ? 2.811 44.686 -64.888 1.00 69.10 ? 64 ASP B OD2 1
986
+ ATOM 533 N N . THR A 1 65 ? 2.016 40.792 -62.653 1.00 48.06 ? 65 THR B N 1
987
+ ATOM 534 C CA . THR A 1 65 ? 1.691 39.418 -62.840 1.00 48.36 ? 65 THR B CA 1
988
+ ATOM 535 C C . THR A 1 65 ? 0.925 38.798 -61.731 1.00 47.45 ? 65 THR B C 1
989
+ ATOM 536 O O . THR A 1 65 ? 0.575 37.667 -61.796 1.00 48.52 ? 65 THR B O 1
990
+ ATOM 537 C CB . THR A 1 65 ? 2.996 38.684 -62.915 1.00 49.70 ? 65 THR B CB 1
991
+ ATOM 538 O OG1 . THR A 1 65 ? 3.817 39.091 -61.821 1.00 48.86 ? 65 THR B OG1 1
992
+ ATOM 539 C CG2 . THR A 1 65 ? 3.698 39.080 -64.154 1.00 48.32 ? 65 THR B CG2 1
993
+ ATOM 540 N N . GLY A 1 66 ? 0.664 39.541 -60.696 1.00 46.13 ? 66 GLY B N 1
994
+ ATOM 541 C CA . GLY A 1 66 ? -0.010 38.983 -59.528 1.00 44.33 ? 66 GLY B CA 1
995
+ ATOM 542 C C . GLY A 1 66 ? 0.940 38.120 -58.713 1.00 44.59 ? 66 GLY B C 1
996
+ ATOM 543 O O . GLY A 1 66 ? 0.539 37.531 -57.716 1.00 45.05 ? 66 GLY B O 1
997
+ ATOM 544 N N . SER A 1 67 ? 2.202 38.031 -59.120 1.00 43.68 ? 67 SER B N 1
998
+ ATOM 545 C CA . SER A 1 67 ? 3.190 37.308 -58.336 1.00 44.41 ? 67 SER B CA 1
999
+ ATOM 546 C C . SER A 1 67 ? 3.499 37.985 -56.994 1.00 43.44 ? 67 SER B C 1
1000
+ ATOM 547 O O . SER A 1 67 ? 3.059 39.142 -56.776 1.00 41.89 ? 67 SER B O 1
1001
+ ATOM 548 C CB . SER A 1 67 ? 4.467 37.188 -59.137 1.00 44.26 ? 67 SER B CB 1
1002
+ ATOM 549 O OG . SER A 1 67 ? 4.307 35.994 -59.867 1.00 49.31 ? 67 SER B OG 1
1003
+ ATOM 550 N N . PRO A 1 68 ? 4.230 37.271 -56.093 1.00 42.71 ? 68 PRO B N 1
1004
+ ATOM 551 C CA . PRO A 1 68 ? 4.605 37.958 -54.820 1.00 42.01 ? 68 PRO B CA 1
1005
+ ATOM 552 C C . PRO A 1 68 ? 5.498 39.197 -55.082 1.00 41.04 ? 68 PRO B C 1
1006
+ ATOM 553 O O . PRO A 1 68 ? 6.285 39.223 -56.022 1.00 40.17 ? 68 PRO B O 1
1007
+ ATOM 554 C CB . PRO A 1 68 ? 5.345 36.861 -54.002 1.00 41.93 ? 68 PRO B CB 1
1008
+ ATOM 555 C CG . PRO A 1 68 ? 4.857 35.502 -54.599 1.00 42.03 ? 68 PRO B CG 1
1009
+ ATOM 556 C CD . PRO A 1 68 ? 4.569 35.816 -56.078 1.00 42.71 ? 68 PRO B CD 1
1010
+ ATOM 557 N N . ILE A 1 69 ? 5.351 40.210 -54.245 1.00 41.20 ? 69 ILE B N 1
1011
+ ATOM 558 C CA . ILE A 1 69 ? 6.124 41.453 -54.336 1.00 41.42 ? 69 ILE B CA 1
1012
+ ATOM 559 C C . ILE A 1 69 ? 7.472 41.352 -53.567 1.00 41.42 ? 69 ILE B C 1
1013
+ ATOM 560 O O . ILE A 1 69 ? 7.510 41.173 -52.347 1.00 43.84 ? 69 ILE B O 1
1014
+ ATOM 561 C CB . ILE A 1 69 ? 5.250 42.605 -53.805 1.00 41.07 ? 69 ILE B CB 1
1015
+ ATOM 562 C CG1 . ILE A 1 69 ? 3.916 42.557 -54.569 1.00 42.15 ? 69 ILE B CG1 1
1016
+ ATOM 563 C CG2 . ILE A 1 69 ? 5.984 43.920 -53.891 1.00 38.80 ? 69 ILE B CG2 1
1017
+ ATOM 564 C CD1 . ILE A 1 69 ? 2.751 43.260 -53.944 1.00 43.62 ? 69 ILE B CD1 1
1018
+ ATOM 565 N N . ASN A 1 70 ? 8.555 41.500 -54.304 1.00 40.52 ? 70 ASN B N 1
1019
+ ATOM 566 C CA . ASN A 1 70 ? 9.945 41.330 -53.926 0.50 40.33 ? 70 ASN B CA 1
1020
+ ATOM 567 C C . ASN A 1 70 ? 10.634 42.692 -53.778 1.00 39.59 ? 70 ASN B C 1
1021
+ ATOM 568 O O . ASN A 1 70 ? 11.774 42.772 -53.349 1.00 40.67 ? 70 ASN B O 1
1022
+ ATOM 569 C CB . ASN A 1 70 ? 10.635 40.578 -55.088 0.50 40.61 ? 70 ASN B CB 1
1023
+ ATOM 570 C CG . ASN A 1 70 ? 10.447 41.303 -56.466 0.50 41.59 ? 70 ASN B CG 1
1024
+ ATOM 571 O OD1 . ASN A 1 70 ? 9.316 41.583 -56.912 0.50 40.64 ? 70 ASN B OD1 1
1025
+ ATOM 572 N ND2 . ASN A 1 70 ? 11.560 41.605 -57.122 0.50 42.15 ? 70 ASN B ND2 1
1026
+ ATOM 573 N N . GLN A 1 71 ? 9.961 43.749 -54.214 1.00 37.19 ? 71 GLN B N 1
1027
+ ATOM 574 C CA . GLN A 1 71 ? 10.618 45.032 -54.455 1.00 35.95 ? 71 GLN B CA 1
1028
+ ATOM 575 C C . GLN A 1 71 ? 9.646 46.198 -54.342 1.00 34.57 ? 71 GLN B C 1
1029
+ ATOM 576 O O . GLN A 1 71 ? 8.543 46.144 -54.862 1.00 33.10 ? 71 GLN B O 1
1030
+ ATOM 577 C CB . GLN A 1 71 ? 11.221 45.053 -55.890 1.00 35.39 ? 71 GLN B CB 1
1031
+ ATOM 578 C CG . GLN A 1 71 ? 11.876 46.342 -56.349 1.00 38.34 ? 71 GLN B CG 1
1032
+ ATOM 579 C CD . GLN A 1 71 ? 12.526 46.235 -57.780 1.00 44.75 ? 71 GLN B CD 1
1033
+ ATOM 580 O OE1 . GLN A 1 71 ? 13.390 45.371 -58.047 1.00 49.93 ? 71 GLN B OE1 1
1034
+ ATOM 581 N NE2 . GLN A 1 71 ? 12.088 47.103 -58.683 1.00 41.24 ? 71 GLN B NE2 1
1035
+ ATOM 582 N N . MET A 1 72 ? 10.090 47.307 -53.752 1.00 33.40 ? 72 MET B N 1
1036
+ ATOM 583 C CA . MET A 1 72 ? 9.250 48.451 -53.729 1.00 32.00 ? 72 MET B CA 1
1037
+ ATOM 584 C C . MET A 1 72 ? 10.143 49.632 -53.672 1.00 31.62 ? 72 MET B C 1
1038
+ ATOM 585 O O . MET A 1 72 ? 11.190 49.577 -53.005 1.00 32.27 ? 72 MET B O 1
1039
+ ATOM 586 C CB . MET A 1 72 ? 8.303 48.296 -52.525 1.00 33.44 ? 72 MET B CB 1
1040
+ ATOM 587 C CG . MET A 1 72 ? 7.354 49.430 -52.360 1.00 36.20 ? 72 MET B CG 1
1041
+ ATOM 588 S SD . MET A 1 72 ? 5.605 49.010 -51.975 1.00 43.63 ? 72 MET B SD 1
1042
+ ATOM 589 C CE . MET A 1 72 ? 5.435 47.378 -51.552 1.00 28.31 ? 72 MET B CE 1
1043
+ ATOM 590 N N . CYS A 1 73 ? 9.782 50.703 -54.386 1.00 29.86 ? 73 CYS B N 1
1044
+ ATOM 591 C CA . CYS A 1 73 ? 10.643 51.825 -54.528 1.00 28.18 ? 73 CYS B CA 1
1045
+ ATOM 592 C C . CYS A 1 73 ? 9.924 53.007 -53.982 1.00 27.95 ? 73 CYS B C 1
1046
+ ATOM 593 O O . CYS A 1 73 ? 8.725 53.093 -54.157 1.00 29.57 ? 73 CYS B O 1
1047
+ ATOM 594 C CB . CYS A 1 73 ? 11.014 52.019 -56.011 1.00 28.70 ? 73 CYS B CB 1
1048
+ ATOM 595 S SG . CYS A 1 73 ? 11.953 50.625 -56.688 1.00 31.37 ? 73 CYS B SG 1
1049
+ ATOM 596 N N . PHE A 1 74 ? 10.616 53.945 -53.317 1.00 26.91 ? 74 PHE B N 1
1050
+ ATOM 597 C CA . PHE A 1 74 ? 9.892 54.996 -52.596 1.00 25.22 ? 74 PHE B CA 1
1051
+ ATOM 598 C C . PHE A 1 74 ? 10.536 56.315 -52.901 1.00 25.86 ? 74 PHE B C 1
1052
+ ATOM 599 O O . PHE A 1 74 ? 11.760 56.373 -53.104 1.00 26.77 ? 74 PHE B O 1
1053
+ ATOM 600 C CB . PHE A 1 74 ? 9.964 54.769 -51.071 1.00 24.57 ? 74 PHE B CB 1
1054
+ ATOM 601 C CG . PHE A 1 74 ? 9.363 53.485 -50.596 1.00 24.86 ? 74 PHE B CG 1
1055
+ ATOM 602 C CD1 . PHE A 1 74 ? 10.156 52.351 -50.432 1.00 27.46 ? 74 PHE B CD1 1
1056
+ ATOM 603 C CD2 . PHE A 1 74 ? 8.018 53.412 -50.255 1.00 24.76 ? 74 PHE B CD2 1
1057
+ ATOM 604 C CE1 . PHE A 1 74 ? 9.602 51.126 -49.994 1.00 27.65 ? 74 PHE B CE1 1
1058
+ ATOM 605 C CE2 . PHE A 1 74 ? 7.435 52.196 -49.734 1.00 25.22 ? 74 PHE B CE2 1
1059
+ ATOM 606 C CZ . PHE A 1 74 ? 8.206 51.043 -49.646 1.00 22.22 ? 74 PHE B CZ 1
1060
+ ATOM 607 N N . TYR A 1 75 ? 9.766 57.393 -52.863 1.00 25.75 ? 75 TYR B N 1
1061
+ ATOM 608 C CA . TYR A 1 75 ? 10.368 58.741 -52.891 1.00 26.11 ? 75 TYR B CA 1
1062
+ ATOM 609 C C . TYR A 1 75 ? 9.412 59.718 -52.337 1.00 25.57 ? 75 TYR B C 1
1063
+ ATOM 610 O O . TYR A 1 75 ? 8.222 59.428 -52.244 1.00 27.00 ? 75 TYR B O 1
1064
+ ATOM 611 C CB . TYR A 1 75 ? 10.704 59.165 -54.321 1.00 27.69 ? 75 TYR B CB 1
1065
+ ATOM 612 C CG . TYR A 1 75 ? 9.507 59.353 -55.291 1.00 26.36 ? 75 TYR B CG 1
1066
+ ATOM 613 C CD1 . TYR A 1 75 ? 9.086 60.618 -55.625 1.00 27.18 ? 75 TYR B CD1 1
1067
+ ATOM 614 C CD2 . TYR A 1 75 ? 8.864 58.266 -55.890 1.00 27.89 ? 75 TYR B CD2 1
1068
+ ATOM 615 C CE1 . TYR A 1 75 ? 8.062 60.826 -56.536 1.00 25.70 ? 75 TYR B CE1 1
1069
+ ATOM 616 C CE2 . TYR A 1 75 ? 7.808 58.462 -56.796 1.00 27.95 ? 75 TYR B CE2 1
1070
+ ATOM 617 C CZ . TYR A 1 75 ? 7.452 59.755 -57.109 1.00 29.78 ? 75 TYR B CZ 1
1071
+ ATOM 618 O OH . TYR A 1 75 ? 6.462 60.045 -57.980 1.00 33.70 ? 75 TYR B OH 1
1072
+ ATOM 619 N N . GLY A 1 76 ? 9.907 60.897 -52.025 1.00 26.10 ? 76 GLY B N 1
1073
+ ATOM 620 C CA . GLY A 1 76 ? 9.105 61.833 -51.298 1.00 25.97 ? 76 GLY B CA 1
1074
+ ATOM 621 C C . GLY A 1 76 ? 9.524 63.244 -51.613 1.00 27.40 ? 76 GLY B C 1
1075
+ ATOM 622 O O . GLY A 1 76 ? 10.706 63.508 -51.953 1.00 27.28 ? 76 GLY B O 1
1076
+ ATOM 623 N N . ASP A 1 77 ? 8.547 64.137 -51.504 1.00 27.26 ? 77 ASP B N 1
1077
+ ATOM 624 C CA . ASP A 1 77 ? 8.764 65.561 -51.450 1.00 30.96 ? 77 ASP B CA 1
1078
+ ATOM 625 C C . ASP A 1 77 ? 8.206 65.973 -50.094 1.00 31.55 ? 77 ASP B C 1
1079
+ ATOM 626 O O . ASP A 1 77 ? 6.998 66.193 -49.954 1.00 32.44 ? 77 ASP B O 1
1080
+ ATOM 627 C CB . ASP A 1 77 ? 7.924 66.289 -52.537 1.00 30.02 ? 77 ASP B CB 1
1081
+ ATOM 628 C CG . ASP A 1 77 ? 8.244 67.777 -52.626 1.00 34.21 ? 77 ASP B CG 1
1082
+ ATOM 629 O OD1 . ASP A 1 77 ? 8.794 68.396 -51.670 1.00 34.09 ? 77 ASP B OD1 1
1083
+ ATOM 630 O OD2 . ASP A 1 77 ? 8.058 68.317 -53.737 1.00 38.83 ? 77 ASP B OD2 1
1084
+ ATOM 631 N N . VAL A 1 78 ? 9.065 66.060 -49.095 1.00 33.17 ? 78 VAL B N 1
1085
+ ATOM 632 C CA . VAL A 1 78 ? 8.621 66.222 -47.697 1.00 33.45 ? 78 VAL B CA 1
1086
+ ATOM 633 C C . VAL A 1 78 ? 9.354 67.399 -47.106 1.00 36.07 ? 78 VAL B C 1
1087
+ ATOM 634 O O . VAL A 1 78 ? 10.573 67.449 -47.128 1.00 36.31 ? 78 VAL B O 1
1088
+ ATOM 635 C CB . VAL A 1 78 ? 8.896 64.933 -46.866 1.00 33.18 ? 78 VAL B CB 1
1089
+ ATOM 636 C CG1 . VAL A 1 78 ? 8.381 65.065 -45.406 1.00 29.29 ? 78 VAL B CG1 1
1090
+ ATOM 637 C CG2 . VAL A 1 78 ? 8.282 63.717 -47.550 1.00 28.95 ? 78 VAL B CG2 1
1091
+ ATOM 638 N N . LYS A 1 79 ? 8.573 68.316 -46.566 1.00 39.96 ? 79 LYS B N 1
1092
+ ATOM 639 C CA . LYS A 1 79 ? 9.047 69.535 -45.979 1.00 42.67 ? 79 LYS B CA 1
1093
+ ATOM 640 C C . LYS A 1 79 ? 8.540 69.962 -44.618 1.00 46.18 ? 79 LYS B C 1
1094
+ ATOM 641 O O . LYS A 1 79 ? 7.482 69.626 -44.090 1.00 46.78 ? 79 LYS B O 1
1095
+ ATOM 642 C CB . LYS A 1 79 ? 8.812 70.711 -46.912 1.00 42.86 ? 79 LYS B CB 1
1096
+ ATOM 643 C CG . LYS A 1 79 ? 9.571 70.694 -48.168 1.00 43.93 ? 79 LYS B CG 1
1097
+ ATOM 644 C CD . LYS A 1 79 ? 9.207 71.830 -49.019 1.00 45.60 ? 79 LYS B CD 1
1098
+ ATOM 645 C CE . LYS A 1 79 ? 9.440 71.501 -50.427 1.00 49.50 ? 79 LYS B CE 1
1099
+ ATOM 646 N NZ . LYS A 1 79 ? 9.683 72.676 -51.217 1.00 54.64 ? 79 LYS B NZ 1
1100
+ ATOM 647 N N . GLU A 1 80 ? 9.392 70.773 -44.070 1.00 50.08 ? 80 GLU B N 1
1101
+ ATOM 648 C CA . GLU A 1 80 ? 9.123 71.529 -42.903 1.00 55.11 ? 80 GLU B CA 1
1102
+ ATOM 649 C C . GLU A 1 80 ? 9.197 72.998 -43.183 1.00 58.56 ? 80 GLU B C 1
1103
+ ATOM 650 O O . GLU A 1 80 ? 10.155 73.630 -43.869 1.00 57.70 ? 80 GLU B O 1
1104
+ ATOM 651 C CB . GLU A 1 80 ? 9.731 71.065 -41.611 1.00 54.48 ? 80 GLU B CB 1
1105
+ ATOM 652 C CG . GLU A 1 80 ? 8.681 71.014 -40.556 1.00 56.70 ? 80 GLU B CG 1
1106
+ ATOM 653 C CD . GLU A 1 80 ? 9.221 70.717 -39.200 1.00 55.61 ? 80 GLU B CD 1
1107
+ ATOM 654 O OE1 . GLU A 1 80 ? 9.228 69.574 -38.791 1.00 51.39 ? 80 GLU B OE1 1
1108
+ ATOM 655 O OE2 . GLU A 1 80 ? 9.637 71.642 -38.533 1.00 63.24 ? 80 GLU B OE2 1
1109
+ ATOM 656 N N . TYR A 1 81 ? 8.190 73.518 -42.492 1.00 63.77 ? 81 TYR B N 1
1110
+ ATOM 657 C CA . TYR A 1 81 ? 7.588 74.822 -42.496 1.00 68.81 ? 81 TYR B CA 1
1111
+ ATOM 658 C C . TYR A 1 81 ? 8.565 75.895 -42.301 1.00 70.71 ? 81 TYR B C 1
1112
+ ATOM 659 O O . TYR A 1 81 ? 9.423 75.843 -41.459 1.00 70.96 ? 81 TYR B O 1
1113
+ ATOM 660 C CB . TYR A 1 81 ? 6.602 74.923 -41.320 1.00 70.42 ? 81 TYR B CB 1
1114
+ ATOM 661 C CG . TYR A 1 81 ? 7.053 74.269 -39.996 1.00 74.14 ? 81 TYR B CG 1
1115
+ ATOM 662 C CD1 . TYR A 1 81 ? 6.845 72.926 -39.771 1.00 77.68 ? 81 TYR B CD1 1
1116
+ ATOM 663 C CD2 . TYR A 1 81 ? 7.660 74.992 -38.985 1.00 77.70 ? 81 TYR B CD2 1
1117
+ ATOM 664 C CE1 . TYR A 1 81 ? 7.235 72.311 -38.606 1.00 79.26 ? 81 TYR B CE1 1
1118
+ ATOM 665 C CE2 . TYR A 1 81 ? 8.046 74.370 -37.794 1.00 80.52 ? 81 TYR B CE2 1
1119
+ ATOM 666 C CZ . TYR A 1 81 ? 7.824 73.015 -37.620 1.00 81.28 ? 81 TYR B CZ 1
1120
+ ATOM 667 O OH . TYR A 1 81 ? 8.186 72.327 -36.481 1.00 80.58 ? 81 TYR B OH 1
1121
+ ATOM 668 N N . ASP A 1 82 ? 8.326 76.938 -43.049 1.00 73.79 ? 82 ASP B N 1
1122
+ ATOM 669 C CA . ASP A 1 82 ? 9.175 78.067 -43.217 1.00 77.34 ? 82 ASP B CA 1
1123
+ ATOM 670 C C . ASP A 1 82 ? 9.251 78.883 -41.950 1.00 79.33 ? 82 ASP B C 1
1124
+ ATOM 671 O O . ASP A 1 82 ? 8.535 79.857 -41.824 1.00 80.16 ? 82 ASP B O 1
1125
+ ATOM 672 C CB . ASP A 1 82 ? 8.369 78.918 -44.185 1.00 77.99 ? 82 ASP B CB 1
1126
+ ATOM 673 C CG . ASP A 1 82 ? 6.818 78.769 -43.954 1.00 78.71 ? 82 ASP B CG 1
1127
+ ATOM 674 O OD1 . ASP A 1 82 ? 6.018 79.094 -44.848 1.00 77.47 ? 82 ASP B OD1 1
1128
+ ATOM 675 O OD2 . ASP A 1 82 ? 6.385 78.315 -42.875 1.00 78.73 ? 82 ASP B OD2 1
1129
+ ATOM 676 N N . VAL A 1 83 ? 10.100 78.524 -40.988 1.00 80.84 ? 83 VAL B N 1
1130
+ ATOM 677 C CA . VAL A 1 83 ? 10.015 79.344 -39.796 1.00 82.17 ? 83 VAL B CA 1
1131
+ ATOM 678 C C . VAL A 1 83 ? 10.053 80.810 -40.215 1.00 82.25 ? 83 VAL B C 1
1132
+ ATOM 679 O O . VAL A 1 83 ? 9.294 81.632 -39.712 1.00 82.37 ? 83 VAL B O 1
1133
+ ATOM 680 C CB . VAL A 1 83 ? 10.979 78.873 -38.652 1.00 82.55 ? 83 VAL B CB 1
1134
+ ATOM 681 C CG1 . VAL A 1 83 ? 10.952 79.815 -37.477 1.00 82.63 ? 83 VAL B CG1 1
1135
+ ATOM 682 C CG2 . VAL A 1 83 ? 10.564 77.499 -38.179 1.00 82.38 ? 83 VAL B CG2 1
1136
+ ATOM 683 N N . GLY A 1 84 ? 10.915 81.117 -41.173 1.00 82.13 ? 84 GLY B N 1
1137
+ ATOM 684 C CA . GLY A 1 84 ? 10.992 82.468 -41.669 1.00 81.71 ? 84 GLY B CA 1
1138
+ ATOM 685 C C . GLY A 1 84 ? 10.427 82.416 -43.049 1.00 81.47 ? 84 GLY B C 1
1139
+ ATOM 686 O O . GLY A 1 84 ? 9.290 82.763 -43.275 1.00 81.76 ? 84 GLY B O 1
1140
+ ATOM 687 N N . ASN A 1 85 ? 11.210 81.922 -43.983 1.00 81.10 ? 85 ASN B N 1
1141
+ ATOM 688 C CA . ASN A 1 85 ? 10.696 81.730 -45.323 1.00 80.02 ? 85 ASN B CA 1
1142
+ ATOM 689 C C . ASN A 1 85 ? 10.941 80.352 -45.907 1.00 77.97 ? 85 ASN B C 1
1143
+ ATOM 690 O O . ASN A 1 85 ? 10.016 79.693 -46.355 1.00 78.19 ? 85 ASN B O 1
1144
+ ATOM 691 C CB . ASN A 1 85 ? 11.280 82.743 -46.279 1.00 80.78 ? 85 ASN B CB 1
1145
+ ATOM 692 C CG . ASN A 1 85 ? 11.073 82.348 -47.701 1.00 83.52 ? 85 ASN B CG 1
1146
+ ATOM 693 O OD1 . ASN A 1 85 ? 9.991 81.929 -48.083 1.00 84.79 ? 85 ASN B OD1 1
1147
+ ATOM 694 N ND2 . ASN A 1 85 ? 12.117 82.445 -48.496 1.00 85.35 ? 85 ASN B ND2 1
1148
+ ATOM 695 N N . ALA A 1 86 ? 12.212 79.958 -45.870 1.00 74.25 ? 86 ALA B N 1
1149
+ ATOM 696 C CA . ALA A 1 86 ? 12.832 78.751 -46.532 1.00 70.55 ? 86 ALA B CA 1
1150
+ ATOM 697 C C . ALA A 1 86 ? 12.640 77.425 -45.772 1.00 67.25 ? 86 ALA B C 1
1151
+ ATOM 698 O O . ALA A 1 86 ? 13.032 77.256 -44.615 1.00 67.60 ? 86 ALA B O 1
1152
+ ATOM 699 C CB . ALA A 1 86 ? 14.310 78.986 -46.869 1.00 70.88 ? 86 ALA B CB 1
1153
+ ATOM 700 N N . ASP A 1 87 ? 11.991 76.485 -46.427 1.00 63.22 ? 87 ASP B N 1
1154
+ ATOM 701 C CA . ASP A 1 87 ? 11.524 75.289 -45.736 1.00 59.09 ? 87 ASP B CA 1
1155
+ ATOM 702 C C . ASP A 1 87 ? 12.649 74.290 -45.499 1.00 54.48 ? 87 ASP B C 1
1156
+ ATOM 703 O O . ASP A 1 87 ? 13.571 74.193 -46.304 1.00 53.81 ? 87 ASP B O 1
1157
+ ATOM 704 C CB . ASP A 1 87 ? 10.388 74.628 -46.529 1.00 60.19 ? 87 ASP B CB 1
1158
+ ATOM 705 C CG . ASP A 1 87 ? 9.299 75.603 -46.890 1.00 63.29 ? 87 ASP B CG 1
1159
+ ATOM 706 O OD1 . ASP A 1 87 ? 8.168 75.498 -46.328 1.00 64.73 ? 87 ASP B OD1 1
1160
+ ATOM 707 O OD2 . ASP A 1 87 ? 9.603 76.481 -47.744 1.00 69.27 ? 87 ASP B OD2 1
1161
+ ATOM 708 N N . ASP A 1 88 ? 12.580 73.618 -44.354 1.00 49.15 ? 88 ASP B N 1
1162
+ ATOM 709 C CA . ASP A 1 88 ? 13.330 72.414 -44.089 1.00 45.53 ? 88 ASP B CA 1
1163
+ ATOM 710 C C . ASP A 1 88 ? 12.948 71.338 -45.121 1.00 43.22 ? 88 ASP B C 1
1164
+ ATOM 711 O O . ASP A 1 88 ? 11.748 71.162 -45.415 1.00 41.64 ? 88 ASP B O 1
1165
+ ATOM 712 C CB . ASP A 1 88 ? 12.984 71.887 -42.684 1.00 45.68 ? 88 ASP B CB 1
1166
+ ATOM 713 C CG . ASP A 1 88 ? 13.776 72.598 -41.565 1.00 45.86 ? 88 ASP B CG 1
1167
+ ATOM 714 O OD1 . ASP A 1 88 ? 14.503 73.564 -41.861 1.00 42.19 ? 88 ASP B OD1 1
1168
+ ATOM 715 O OD2 . ASP A 1 88 ? 13.692 72.179 -40.383 1.00 48.86 ? 88 ASP B OD2 1
1169
+ ATOM 716 N N . ILE A 1 89 ? 13.939 70.631 -45.670 1.00 38.39 ? 89 ILE B N 1
1170
+ ATOM 717 C CA . ILE A 1 89 ? 13.613 69.515 -46.531 1.00 35.37 ? 89 ILE B CA 1
1171
+ ATOM 718 C C . ILE A 1 89 ? 13.978 68.239 -45.836 1.00 34.52 ? 89 ILE B C 1
1172
+ ATOM 719 O O . ILE A 1 89 ? 15.121 68.110 -45.401 1.00 35.23 ? 89 ILE B O 1
1173
+ ATOM 720 C CB . ILE A 1 89 ? 14.285 69.693 -47.941 1.00 35.50 ? 89 ILE B CB 1
1174
+ ATOM 721 C CG1 . ILE A 1 89 ? 13.630 70.904 -48.654 1.00 36.19 ? 89 ILE B CG1 1
1175
+ ATOM 722 C CG2 . ILE A 1 89 ? 14.091 68.485 -48.768 1.00 32.14 ? 89 ILE B CG2 1
1176
+ ATOM 723 C CD1 . ILE A 1 89 ? 14.558 71.759 -49.224 1.00 33.54 ? 89 ILE B CD1 1
1177
+ ATOM 724 N N . LEU A 1 90 ? 13.017 67.318 -45.712 1.00 33.12 ? 90 LEU B N 1
1178
+ ATOM 725 C CA . LEU A 1 90 ? 13.184 65.990 -45.154 1.00 31.67 ? 90 LEU B CA 1
1179
+ ATOM 726 C C . LEU A 1 90 ? 13.355 64.936 -46.273 1.00 33.26 ? 90 LEU B C 1
1180
+ ATOM 727 O O . LEU A 1 90 ? 13.888 63.820 -45.984 1.00 32.58 ? 90 LEU B O 1
1181
+ ATOM 728 C CB . LEU A 1 90 ? 11.958 65.581 -44.317 1.00 32.52 ? 90 LEU B CB 1
1182
+ ATOM 729 C CG . LEU A 1 90 ? 11.761 66.117 -42.867 1.00 34.01 ? 90 LEU B CG 1
1183
+ ATOM 730 C CD1 . LEU A 1 90 ? 11.829 67.630 -42.878 1.00 31.22 ? 90 LEU B CD1 1
1184
+ ATOM 731 C CD2 . LEU A 1 90 ? 10.456 65.660 -42.161 1.00 30.75 ? 90 LEU B CD2 1
1185
+ ATOM 732 N N . ALA A 1 91 ? 12.912 65.256 -47.517 1.00 31.71 ? 91 ALA B N 1
1186
+ ATOM 733 C CA . ALA A 1 91 ? 13.075 64.330 -48.669 1.00 31.84 ? 91 ALA B CA 1
1187
+ ATOM 734 C C . ALA A 1 91 ? 12.876 65.102 -49.983 1.00 32.52 ? 91 ALA B C 1
1188
+ ATOM 735 O O . ALA A 1 91 ? 12.015 65.990 -50.040 1.00 33.08 ? 91 ALA B O 1
1189
+ ATOM 736 C CB . ALA A 1 91 ? 12.115 63.150 -48.606 1.00 29.65 ? 91 ALA B CB 1
1190
+ ATOM 737 N N . TYR A 1 92 ? 13.694 64.776 -50.981 1.00 30.46 ? 92 TYR B N 1
1191
+ ATOM 738 C CA . TYR A 1 92 ? 13.618 65.373 -52.287 1.00 30.36 ? 92 TYR B CA 1
1192
+ ATOM 739 C C . TYR A 1 92 ? 13.081 64.341 -53.258 1.00 30.15 ? 92 TYR B C 1
1193
+ ATOM 740 O O . TYR A 1 92 ? 13.446 63.165 -53.185 1.00 29.49 ? 92 TYR B O 1
1194
+ ATOM 741 C CB . TYR A 1 92 ? 14.980 65.793 -52.782 1.00 30.56 ? 92 TYR B CB 1
1195
+ ATOM 742 C CG . TYR A 1 92 ? 15.718 66.908 -52.042 1.00 30.72 ? 92 TYR B CG 1
1196
+ ATOM 743 C CD1 . TYR A 1 92 ? 16.535 66.630 -50.950 1.00 28.53 ? 92 TYR B CD1 1
1197
+ ATOM 744 C CD2 . TYR A 1 92 ? 15.669 68.212 -52.508 1.00 31.83 ? 92 TYR B CD2 1
1198
+ ATOM 745 C CE1 . TYR A 1 92 ? 17.283 67.646 -50.294 1.00 29.29 ? 92 TYR B CE1 1
1199
+ ATOM 746 C CE2 . TYR A 1 92 ? 16.405 69.216 -51.894 1.00 33.02 ? 92 TYR B CE2 1
1200
+ ATOM 747 C CZ . TYR A 1 92 ? 17.241 68.912 -50.779 1.00 35.56 ? 92 TYR B CZ 1
1201
+ ATOM 748 O OH . TYR A 1 92 ? 17.974 69.934 -50.150 1.00 37.62 ? 92 TYR B OH 1
1202
+ ATOM 749 N N . PRO A 1 93 ? 12.194 64.772 -54.164 1.00 30.20 ? 93 PRO B N 1
1203
+ ATOM 750 C CA . PRO A 1 93 ? 11.555 63.745 -54.961 1.00 30.09 ? 93 PRO B CA 1
1204
+ ATOM 751 C C . PRO A 1 93 ? 12.449 63.215 -56.074 1.00 30.03 ? 93 PRO B C 1
1205
+ ATOM 752 O O . PRO A 1 93 ? 12.122 62.227 -56.642 1.00 31.38 ? 93 PRO B O 1
1206
+ ATOM 753 C CB . PRO A 1 93 ? 10.281 64.432 -55.528 1.00 30.47 ? 93 PRO B CB 1
1207
+ ATOM 754 C CG . PRO A 1 93 ? 10.644 65.936 -55.656 1.00 31.63 ? 93 PRO B CG 1
1208
+ ATOM 755 C CD . PRO A 1 93 ? 11.551 66.106 -54.313 1.00 31.32 ? 93 PRO B CD 1
1209
+ ATOM 756 N N . SER A 1 94 ? 13.595 63.791 -56.356 1.00 30.08 ? 94 SER B N 1
1210
+ ATOM 757 C CA . SER A 1 94 ? 14.407 63.142 -57.326 1.00 31.90 ? 94 SER B CA 1
1211
+ ATOM 758 C C . SER A 1 94 ? 15.047 61.859 -56.751 1.00 32.51 ? 94 SER B C 1
1212
+ ATOM 759 O O . SER A 1 94 ? 15.650 61.072 -57.488 1.00 33.44 ? 94 SER B O 1
1213
+ ATOM 760 C CB . SER A 1 94 ? 15.489 64.094 -57.844 1.00 32.52 ? 94 SER B CB 1
1214
+ ATOM 761 O OG . SER A 1 94 ? 16.285 64.475 -56.725 1.00 37.83 ? 94 SER B OG 1
1215
+ ATOM 762 N N . GLN A 1 95 ? 14.940 61.617 -55.455 1.00 31.80 ? 95 GLN B N 1
1216
+ ATOM 763 C CA . GLN A 1 95 ? 15.682 60.485 -54.911 1.00 30.06 ? 95 GLN B CA 1
1217
+ ATOM 764 C C . GLN A 1 95 ? 14.746 59.319 -54.677 1.00 29.32 ? 95 GLN B C 1
1218
+ ATOM 765 O O . GLN A 1 95 ? 13.909 59.393 -53.754 1.00 29.47 ? 95 GLN B O 1
1219
+ ATOM 766 C CB . GLN A 1 95 ? 16.375 60.868 -53.570 1.00 30.03 ? 95 GLN B CB 1
1220
+ ATOM 767 C CG . GLN A 1 95 ? 16.943 59.612 -52.856 1.00 29.04 ? 95 GLN B CG 1
1221
+ ATOM 768 C CD . GLN A 1 95 ? 17.466 59.893 -51.436 1.00 32.21 ? 95 GLN B CD 1
1222
+ ATOM 769 O OE1 . GLN A 1 95 ? 16.716 60.265 -50.524 1.00 33.36 ? 95 GLN B OE1 1
1223
+ ATOM 770 N NE2 . GLN A 1 95 ? 18.748 59.719 -51.262 1.00 28.87 ? 95 GLN B NE2 1
1224
+ ATOM 771 N N . LYS A 1 96 ? 14.953 58.236 -55.434 1.00 25.84 ? 96 LYS B N 1
1225
+ ATOM 772 C CA . LYS A 1 96 ? 14.226 57.016 -55.317 1.00 26.32 ? 96 LYS B CA 1
1226
+ ATOM 773 C C . LYS A 1 96 ? 15.060 55.953 -54.621 1.00 27.05 ? 96 LYS B C 1
1227
+ ATOM 774 O O . LYS A 1 96 ? 16.243 55.734 -55.006 1.00 26.49 ? 96 LYS B O 1
1228
+ ATOM 775 C CB . LYS A 1 96 ? 13.864 56.473 -56.728 1.00 28.09 ? 96 LYS B CB 1
1229
+ ATOM 776 C CG . LYS A 1 96 ? 12.532 57.056 -57.271 1.00 27.07 ? 96 LYS B CG 1
1230
+ ATOM 777 C CD . LYS A 1 96 ? 12.768 58.459 -57.831 1.00 27.35 ? 96 LYS B CD 1
1231
+ ATOM 778 C CE . LYS A 1 96 ? 11.486 59.004 -58.567 1.00 28.04 ? 96 LYS B CE 1
1232
+ ATOM 779 N NZ . LYS A 1 96 ? 11.587 60.507 -58.759 1.00 26.22 ? 96 LYS B NZ 1
1233
+ ATOM 780 N N . VAL A 1 97 ? 14.492 55.298 -53.591 1.00 27.03 ? 97 VAL B N 1
1234
+ ATOM 781 C CA . VAL A 1 97 ? 15.239 54.193 -52.894 1.00 25.37 ? 97 VAL B CA 1
1235
+ ATOM 782 C C . VAL A 1 97 ? 14.326 53.018 -52.776 1.00 26.37 ? 97 VAL B C 1
1236
+ ATOM 783 O O . VAL A 1 97 ? 13.206 53.179 -52.315 1.00 27.61 ? 97 VAL B O 1
1237
+ ATOM 784 C CB . VAL A 1 97 ? 15.793 54.621 -51.441 1.00 26.60 ? 97 VAL B CB 1
1238
+ ATOM 785 C CG1 . VAL A 1 97 ? 16.784 53.571 -50.869 1.00 24.11 ? 97 VAL B CG1 1
1239
+ ATOM 786 C CG2 . VAL A 1 97 ? 16.527 55.987 -51.512 1.00 22.29 ? 97 VAL B CG2 1
1240
+ ATOM 787 N N . CYS A 1 98 ? 14.787 51.836 -53.183 1.00 25.32 ? 98 CYS B N 1
1241
+ ATOM 788 C CA . CYS A 1 98 ? 13.966 50.636 -53.168 1.00 26.95 ? 98 CYS B CA 1
1242
+ ATOM 789 C C . CYS A 1 98 ? 14.475 49.637 -52.075 1.00 26.95 ? 98 CYS B C 1
1243
+ ATOM 790 O O . CYS A 1 98 ? 15.630 49.654 -51.726 1.00 25.99 ? 98 CYS B O 1
1244
+ ATOM 791 C CB . CYS A 1 98 ? 14.072 49.929 -54.575 1.00 27.21 ? 98 CYS B CB 1
1245
+ ATOM 792 S SG . CYS A 1 98 ? 13.834 51.151 -55.996 1.00 31.65 ? 98 CYS B SG 1
1246
+ ATOM 793 N N . SER A 1 99 ? 13.624 48.722 -51.634 1.00 27.93 ? 99 SER B N 1
1247
+ ATOM 794 C CA . SER A 1 99 ? 14.060 47.605 -50.815 1.00 30.73 ? 99 SER B CA 1
1248
+ ATOM 795 C C . SER A 1 99 ? 13.116 46.409 -50.980 1.00 31.74 ? 99 SER B C 1
1249
+ ATOM 796 O O . SER A 1 99 ? 11.995 46.566 -51.430 1.00 33.54 ? 99 SER B O 1
1250
+ ATOM 797 C CB . SER A 1 99 ? 14.009 48.030 -49.334 1.00 30.55 ? 99 SER B CB 1
1251
+ ATOM 798 O OG . SER A 1 99 ? 12.691 48.476 -49.025 1.00 28.36 ? 99 SER B OG 1
1252
+ ATOM 799 N N . THR A 1 100 ? 13.559 45.233 -50.566 1.00 33.04 ? 100 THR B N 1
1253
+ ATOM 800 C CA . THR A 1 100 ? 12.674 44.096 -50.302 1.00 35.43 ? 100 THR B CA 1
1254
+ ATOM 801 C C . THR A 1 100 ? 11.870 44.273 -48.977 1.00 36.14 ? 100 THR B C 1
1255
+ ATOM 802 O O . THR A 1 100 ? 12.285 45.021 -48.116 1.00 36.61 ? 100 THR B O 1
1256
+ ATOM 803 C CB . THR A 1 100 ? 13.533 42.853 -50.101 1.00 36.97 ? 100 THR B CB 1
1257
+ ATOM 804 O OG1 . THR A 1 100 ? 14.442 43.128 -49.016 1.00 37.19 ? 100 THR B OG1 1
1258
+ ATOM 805 C CG2 . THR A 1 100 ? 14.365 42.536 -51.386 1.00 34.71 ? 100 THR B CG2 1
1259
+ ATOM 806 N N . PRO A 1 101 ? 10.705 43.600 -48.821 1.00 37.14 ? 101 PRO B N 1
1260
+ ATOM 807 C CA . PRO A 1 101 ? 9.954 43.785 -47.559 1.00 38.38 ? 101 PRO B CA 1
1261
+ ATOM 808 C C . PRO A 1 101 ? 10.781 43.249 -46.382 1.00 38.06 ? 101 PRO B C 1
1262
+ ATOM 809 O O . PRO A 1 101 ? 11.363 42.188 -46.494 1.00 35.61 ? 101 PRO B O 1
1263
+ ATOM 810 C CB . PRO A 1 101 ? 8.690 42.915 -47.757 1.00 38.49 ? 101 PRO B CB 1
1264
+ ATOM 811 C CG . PRO A 1 101 ? 9.065 41.917 -48.801 1.00 38.49 ? 101 PRO B CG 1
1265
+ ATOM 812 C CD . PRO A 1 101 ? 10.098 42.553 -49.685 1.00 37.62 ? 101 PRO B CD 1
1266
+ ATOM 813 N N . GLY A 1 102 ? 10.889 44.016 -45.305 1.00 38.67 ? 102 GLY B N 1
1267
+ ATOM 814 C CA . GLY A 1 102 ? 11.761 43.573 -44.202 1.00 38.29 ? 102 GLY B CA 1
1268
+ ATOM 815 C C . GLY A 1 102 ? 13.008 44.412 -44.187 1.00 38.20 ? 102 GLY B C 1
1269
+ ATOM 816 O O . GLY A 1 102 ? 13.750 44.385 -43.185 1.00 40.09 ? 102 GLY B O 1
1270
+ ATOM 817 N N . VAL A 1 103 ? 13.284 45.140 -45.285 1.00 34.42 ? 103 VAL B N 1
1271
+ ATOM 818 C CA . VAL A 1 103 ? 14.367 46.102 -45.264 1.00 30.67 ? 103 VAL B CA 1
1272
+ ATOM 819 C C . VAL A 1 103 ? 13.726 47.455 -45.362 1.00 31.91 ? 103 VAL B C 1
1273
+ ATOM 820 O O . VAL A 1 103 ? 12.694 47.619 -46.097 1.00 31.74 ? 103 VAL B O 1
1274
+ ATOM 821 C CB . VAL A 1 103 ? 15.338 45.892 -46.392 1.00 31.10 ? 103 VAL B CB 1
1275
+ ATOM 822 C CG1 . VAL A 1 103 ? 16.387 47.011 -46.466 1.00 28.29 ? 103 VAL B CG1 1
1276
+ ATOM 823 C CG2 . VAL A 1 103 ? 16.023 44.480 -46.312 1.00 28.09 ? 103 VAL B CG2 1
1277
+ ATOM 824 N N . THR A 1 104 ? 14.272 48.410 -44.597 1.00 30.33 ? 104 THR B N 1
1278
+ ATOM 825 C CA . THR A 1 104 ? 13.697 49.719 -44.476 1.00 29.51 ? 104 THR B CA 1
1279
+ ATOM 826 C C . THR A 1 104 ? 14.507 50.646 -45.375 1.00 29.93 ? 104 THR B C 1
1280
+ ATOM 827 O O . THR A 1 104 ? 15.709 50.416 -45.561 1.00 29.88 ? 104 THR B O 1
1281
+ ATOM 828 C CB . THR A 1 104 ? 13.760 50.139 -42.993 1.00 29.73 ? 104 THR B CB 1
1282
+ ATOM 829 O OG1 . THR A 1 104 ? 12.694 49.478 -42.304 1.00 32.75 ? 104 THR B OG1 1
1283
+ ATOM 830 C CG2 . THR A 1 104 ? 13.625 51.608 -42.766 1.00 26.78 ? 104 THR B CG2 1
1284
+ ATOM 831 N N . VAL A 1 105 ? 13.885 51.695 -45.930 1.00 28.88 ? 105 VAL B N 1
1285
+ ATOM 832 C CA . VAL A 1 105 ? 14.663 52.657 -46.691 1.00 27.65 ? 105 VAL B CA 1
1286
+ ATOM 833 C C . VAL A 1 105 ? 14.684 54.011 -45.999 1.00 27.46 ? 105 VAL B C 1
1287
+ ATOM 834 O O . VAL A 1 105 ? 13.720 54.373 -45.344 1.00 27.47 ? 105 VAL B O 1
1288
+ ATOM 835 C CB . VAL A 1 105 ? 14.113 52.909 -48.218 1.00 27.85 ? 105 VAL B CB 1
1289
+ ATOM 836 C CG1 . VAL A 1 105 ? 13.965 51.655 -49.025 1.00 26.67 ? 105 VAL B CG1 1
1290
+ ATOM 837 C CG2 . VAL A 1 105 ? 12.831 53.757 -48.217 1.00 23.10 ? 105 VAL B CG2 1
1291
+ ATOM 838 N N . ARG A 1 106 ? 15.747 54.768 -46.257 1.00 26.56 ? 106 ARG B N 1
1292
+ ATOM 839 C CA . ARG A 1 106 ? 15.842 56.155 -45.866 1.00 26.71 ? 106 ARG B CA 1
1293
+ ATOM 840 C C . ARG A 1 106 ? 15.855 57.093 -47.101 1.00 27.51 ? 106 ARG B C 1
1294
+ ATOM 841 O O . ARG A 1 106 ? 16.695 56.911 -48.036 1.00 27.43 ? 106 ARG B O 1
1295
+ ATOM 842 C CB . ARG A 1 106 ? 17.171 56.350 -45.100 1.00 25.92 ? 106 ARG B CB 1
1296
+ ATOM 843 C CG . ARG A 1 106 ? 17.472 57.743 -44.751 1.00 25.40 ? 106 ARG B CG 1
1297
+ ATOM 844 C CD . ARG A 1 106 ? 18.630 57.882 -43.725 1.00 24.62 ? 106 ARG B CD 1
1298
+ ATOM 845 N NE . ARG A 1 106 ? 19.065 59.284 -43.673 1.00 26.24 ? 106 ARG B NE 1
1299
+ ATOM 846 C CZ . ARG A 1 106 ? 19.686 59.885 -42.638 1.00 30.40 ? 106 ARG B CZ 1
1300
+ ATOM 847 N NH1 . ARG A 1 106 ? 19.921 59.224 -41.473 1.00 27.61 ? 106 ARG B NH1 1
1301
+ ATOM 848 N NH2 . ARG A 1 106 ? 20.030 61.179 -42.759 1.00 21.79 ? 106 ARG B NH2 1
1302
+ ATOM 849 N N . LEU A 1 107 ? 15.006 58.118 -47.050 1.00 27.25 ? 107 LEU B N 1
1303
+ ATOM 850 C CA . LEU A 1 107 ? 15.064 59.224 -47.956 1.00 28.19 ? 107 LEU B CA 1
1304
+ ATOM 851 C C . LEU A 1 107 ? 15.757 60.370 -47.237 1.00 28.76 ? 107 LEU B C 1
1305
+ ATOM 852 O O . LEU A 1 107 ? 15.315 60.699 -46.129 1.00 28.91 ? 107 LEU B O 1
1306
+ ATOM 853 C CB . LEU A 1 107 ? 13.627 59.640 -48.335 1.00 27.35 ? 107 LEU B CB 1
1307
+ ATOM 854 C CG . LEU A 1 107 ? 12.695 58.516 -48.792 1.00 26.20 ? 107 LEU B CG 1
1308
+ ATOM 855 C CD1 . LEU A 1 107 ? 11.356 59.123 -49.306 1.00 28.30 ? 107 LEU B CD1 1
1309
+ ATOM 856 C CD2 . LEU A 1 107 ? 13.380 57.731 -49.887 1.00 22.11 ? 107 LEU B CD2 1
1310
+ ATOM 857 N N . ASP A 1 108 ? 16.805 60.966 -47.846 1.00 28.14 ? 108 ASP B N 1
1311
+ ATOM 858 C CA . ASP A 1 108 ? 17.599 62.001 -47.190 1.00 30.43 ? 108 ASP B CA 1
1312
+ ATOM 859 C C . ASP A 1 108 ? 17.109 63.402 -47.421 1.00 31.09 ? 108 ASP B C 1
1313
+ ATOM 860 O O . ASP A 1 108 ? 16.632 63.755 -48.518 1.00 30.74 ? 108 ASP B O 1
1314
+ ATOM 861 C CB . ASP A 1 108 ? 19.132 61.926 -47.579 1.00 28.59 ? 108 ASP B CB 1
1315
+ ATOM 862 C CG . ASP A 1 108 ? 19.682 60.547 -47.382 1.00 32.93 ? 108 ASP B CG 1
1316
+ ATOM 863 O OD1 . ASP A 1 108 ? 20.016 59.829 -48.398 1.00 31.59 ? 108 ASP B OD1 1
1317
+ ATOM 864 O OD2 . ASP A 1 108 ? 19.684 60.122 -46.192 1.00 36.68 ? 108 ASP B OD2 1
1318
+ ATOM 865 N N . GLY A 1 109 ? 17.319 64.242 -46.409 1.00 31.55 ? 109 GLY B N 1
1319
+ ATOM 866 C CA . GLY A 1 109 ? 16.863 65.652 -46.477 1.00 30.01 ? 109 GLY B CA 1
1320
+ ATOM 867 C C . GLY A 1 109 ? 18.044 66.560 -46.670 1.00 29.56 ? 109 GLY B C 1
1321
+ ATOM 868 O O . GLY A 1 109 ? 19.090 66.135 -47.161 1.00 28.84 ? 109 GLY B O 1
1322
+ ATOM 869 N N . ASP A 1 110 ? 17.900 67.822 -46.278 1.00 29.77 ? 110 ASP B N 1
1323
+ ATOM 870 C CA . ASP A 1 110 ? 18.933 68.787 -46.559 1.00 29.26 ? 110 ASP B CA 1
1324
+ ATOM 871 C C . ASP A 1 110 ? 19.936 68.864 -45.424 1.00 28.87 ? 110 ASP B C 1
1325
+ ATOM 872 O O . ASP A 1 110 ? 20.913 69.665 -45.490 1.00 29.41 ? 110 ASP B O 1
1326
+ ATOM 873 C CB . ASP A 1 110 ? 18.348 70.173 -46.952 1.00 30.23 ? 110 ASP B CB 1
1327
+ ATOM 874 C CG . ASP A 1 110 ? 17.450 70.772 -45.845 1.00 32.75 ? 110 ASP B CG 1
1328
+ ATOM 875 O OD1 . ASP A 1 110 ? 17.279 70.125 -44.780 1.00 31.21 ? 110 ASP B OD1 1
1329
+ ATOM 876 O OD2 . ASP A 1 110 ? 16.951 71.901 -46.040 1.00 34.73 ? 110 ASP B OD2 1
1330
+ ATOM 877 N N . GLU A 1 111 ? 19.779 67.992 -44.446 1.00 27.61 ? 111 GLU B N 1
1331
+ ATOM 878 C CA . GLU A 1 111 ? 20.735 67.934 -43.304 1.00 30.25 ? 111 GLU B CA 1
1332
+ ATOM 879 C C . GLU A 1 111 ? 20.733 66.521 -42.819 1.00 29.89 ? 111 GLU B C 1
1333
+ ATOM 880 O O . GLU A 1 111 ? 19.736 65.793 -43.089 1.00 29.13 ? 111 GLU B O 1
1334
+ ATOM 881 C CB . GLU A 1 111 ? 20.290 68.799 -42.092 1.00 30.11 ? 111 GLU B CB 1
1335
+ ATOM 882 C CG . GLU A 1 111 ? 20.112 70.258 -42.389 1.00 32.90 ? 111 GLU B CG 1
1336
+ ATOM 883 C CD . GLU A 1 111 ? 19.919 71.110 -41.073 1.00 39.29 ? 111 GLU B CD 1
1337
+ ATOM 884 O OE1 . GLU A 1 111 ? 18.944 71.843 -41.005 1.00 40.33 ? 111 GLU B OE1 1
1338
+ ATOM 885 O OE2 . GLU A 1 111 ? 20.735 71.045 -40.126 1.00 37.01 ? 111 GLU B OE2 1
1339
+ ATOM 886 N N . LYS A 1 112 ? 21.798 66.127 -42.101 1.00 30.07 ? 112 LYS B N 1
1340
+ ATOM 887 C CA . LYS A 1 112 ? 21.857 64.733 -41.648 1.00 32.60 ? 112 LYS B CA 1
1341
+ ATOM 888 C C . LYS A 1 112 ? 20.752 64.344 -40.689 1.00 31.99 ? 112 LYS B C 1
1342
+ ATOM 889 O O . LYS A 1 112 ? 20.454 63.151 -40.586 1.00 32.98 ? 112 LYS B O 1
1343
+ ATOM 890 C CB . LYS A 1 112 ? 23.203 64.341 -41.018 1.00 33.66 ? 112 LYS B CB 1
1344
+ ATOM 891 C CG . LYS A 1 112 ? 23.586 65.140 -39.785 1.00 39.25 ? 112 LYS B CG 1
1345
+ ATOM 892 C CD . LYS A 1 112 ? 25.043 64.749 -39.309 1.00 45.37 ? 112 LYS B CD 1
1346
+ ATOM 893 C CE . LYS A 1 112 ? 25.573 65.784 -38.277 1.00 50.28 ? 112 LYS B CE 1
1347
+ ATOM 894 N NZ . LYS A 1 112 ? 27.077 65.742 -38.107 1.00 55.95 ? 112 LYS B NZ 1
1348
+ ATOM 895 N N . GLY A 1 113 ? 20.198 65.307 -39.956 1.00 31.00 ? 113 GLY B N 1
1349
+ ATOM 896 C CA . GLY A 1 113 ? 19.147 64.991 -38.977 1.00 33.00 ? 113 GLY B CA 1
1350
+ ATOM 897 C C . GLY A 1 113 ? 17.704 65.284 -39.466 1.00 34.77 ? 113 GLY B C 1
1351
+ ATOM 898 O O . GLY A 1 113 ? 16.739 65.130 -38.693 1.00 34.92 ? 113 GLY B O 1
1352
+ ATOM 899 N N . SER A 1 114 ? 17.568 65.683 -40.755 1.00 33.82 ? 114 SER B N 1
1353
+ ATOM 900 C CA . SER A 1 114 ? 16.286 65.786 -41.454 1.00 32.88 ? 114 SER B CA 1
1354
+ ATOM 901 C C . SER A 1 114 ? 16.197 64.681 -42.548 1.00 34.04 ? 114 SER B C 1
1355
+ ATOM 902 O O . SER A 1 114 ? 16.957 64.702 -43.564 1.00 34.15 ? 114 SER B O 1
1356
+ ATOM 903 C CB . SER A 1 114 ? 16.167 67.163 -42.102 1.00 32.78 ? 114 SER B CB 1
1357
+ ATOM 904 O OG . SER A 1 114 ? 16.384 68.216 -41.178 1.00 29.35 ? 114 SER B OG 1
1358
+ ATOM 905 N N . TYR A 1 115 ? 15.280 63.721 -42.361 1.00 33.34 ? 115 TYR B N 1
1359
+ ATOM 906 C CA . TYR A 1 115 ? 15.152 62.591 -43.274 1.00 32.35 ? 115 TYR B CA 1
1360
+ ATOM 907 C C . TYR A 1 115 ? 13.894 61.822 -42.981 1.00 32.04 ? 115 TYR B C 1
1361
+ ATOM 908 O O . TYR A 1 115 ? 13.248 62.117 -41.987 1.00 31.80 ? 115 TYR B O 1
1362
+ ATOM 909 C CB . TYR A 1 115 ? 16.352 61.658 -43.112 1.00 32.12 ? 115 TYR B CB 1
1363
+ ATOM 910 C CG . TYR A 1 115 ? 16.521 60.979 -41.753 1.00 31.77 ? 115 TYR B CG 1
1364
+ ATOM 911 C CD1 . TYR A 1 115 ? 16.085 59.677 -41.527 1.00 31.40 ? 115 TYR B CD1 1
1365
+ ATOM 912 C CD2 . TYR A 1 115 ? 17.238 61.605 -40.725 1.00 34.91 ? 115 TYR B CD2 1
1366
+ ATOM 913 C CE1 . TYR A 1 115 ? 16.298 59.039 -40.243 1.00 35.42 ? 115 TYR B CE1 1
1367
+ ATOM 914 C CE2 . TYR A 1 115 ? 17.454 60.963 -39.436 1.00 28.63 ? 115 TYR B CE2 1
1368
+ ATOM 915 C CZ . TYR A 1 115 ? 16.969 59.742 -39.212 1.00 31.46 ? 115 TYR B CZ 1
1369
+ ATOM 916 O OH . TYR A 1 115 ? 17.242 59.150 -38.012 1.00 33.72 ? 115 TYR B OH 1
1370
+ ATOM 917 N N . VAL A 1 116 ? 13.579 60.790 -43.787 1.00 29.93 ? 116 VAL B N 1
1371
+ ATOM 918 C CA . VAL A 1 116 ? 12.393 59.974 -43.563 1.00 28.05 ? 116 VAL B CA 1
1372
+ ATOM 919 C C . VAL A 1 116 ? 12.772 58.528 -43.714 1.00 28.22 ? 116 VAL B C 1
1373
+ ATOM 920 O O . VAL A 1 116 ? 13.671 58.252 -44.527 1.00 27.89 ? 116 VAL B O 1
1374
+ ATOM 921 C CB . VAL A 1 116 ? 11.343 60.289 -44.656 1.00 28.81 ? 116 VAL B CB 1
1375
+ ATOM 922 C CG1 . VAL A 1 116 ? 10.148 59.410 -44.531 1.00 27.32 ? 116 VAL B CG1 1
1376
+ ATOM 923 C CG2 . VAL A 1 116 ? 10.895 61.735 -44.564 1.00 26.39 ? 116 VAL B CG2 1
1377
+ ATOM 924 N N . THR A 1 117 ? 12.131 57.600 -42.978 1.00 25.96 ? 117 THR B N 1
1378
+ ATOM 925 C CA . THR A 1 117 ? 12.382 56.224 -43.214 1.00 25.24 ? 117 THR B CA 1
1379
+ ATOM 926 C C . THR A 1 117 ? 11.047 55.490 -43.497 1.00 26.89 ? 117 THR B C 1
1380
+ ATOM 927 O O . THR A 1 117 ? 9.976 55.940 -43.058 1.00 27.36 ? 117 THR B O 1
1381
+ ATOM 928 C CB . THR A 1 117 ? 13.067 55.526 -42.018 1.00 28.30 ? 117 THR B CB 1
1382
+ ATOM 929 O OG1 . THR A 1 117 ? 12.147 55.378 -40.933 1.00 30.92 ? 117 THR B OG1 1
1383
+ ATOM 930 C CG2 . THR A 1 117 ? 14.400 56.183 -41.568 1.00 24.00 ? 117 THR B CG2 1
1384
+ ATOM 931 N N . ILE A 1 118 ? 11.076 54.373 -44.245 1.00 26.33 ? 118 ILE B N 1
1385
+ ATOM 932 C CA . ILE A 1 118 ? 9.859 53.685 -44.557 1.00 25.65 ? 118 ILE B CA 1
1386
+ ATOM 933 C C . ILE A 1 118 ? 10.114 52.228 -44.460 1.00 27.36 ? 118 ILE B C 1
1387
+ ATOM 934 O O . ILE A 1 118 ? 11.078 51.707 -45.017 1.00 28.28 ? 118 ILE B O 1
1388
+ ATOM 935 C CB . ILE A 1 118 ? 9.373 53.974 -46.046 1.00 26.97 ? 118 ILE B CB 1
1389
+ ATOM 936 C CG1 . ILE A 1 118 ? 8.948 55.412 -46.231 1.00 27.71 ? 118 ILE B CG1 1
1390
+ ATOM 937 C CG2 . ILE A 1 118 ? 8.072 53.229 -46.380 1.00 23.45 ? 118 ILE B CG2 1
1391
+ ATOM 938 C CD1 . ILE A 1 118 ? 9.917 56.193 -46.853 1.00 29.66 ? 118 ILE B CD1 1
1392
+ ATOM 939 N N . LYS A 1 119 ? 9.209 51.533 -43.808 1.00 27.94 ? 119 LYS B N 1
1393
+ ATOM 940 C CA . LYS A 1 119 ? 9.306 50.104 -43.618 1.00 29.67 ? 119 LYS B CA 1
1394
+ ATOM 941 C C . LYS A 1 119 ? 8.019 49.570 -44.159 1.00 29.50 ? 119 LYS B C 1
1395
+ ATOM 942 O O . LYS A 1 119 ? 7.036 50.273 -44.053 1.00 30.75 ? 119 LYS B O 1
1396
+ ATOM 943 C CB . LYS A 1 119 ? 9.282 49.920 -42.106 1.00 30.20 ? 119 LYS B CB 1
1397
+ ATOM 944 C CG . LYS A 1 119 ? 8.959 48.581 -41.637 1.00 34.61 ? 119 LYS B CG 1
1398
+ ATOM 945 C CD . LYS A 1 119 ? 8.644 48.604 -40.128 1.00 38.93 ? 119 LYS B CD 1
1399
+ ATOM 946 C CE . LYS A 1 119 ? 8.468 47.167 -39.645 1.00 42.75 ? 119 LYS B CE 1
1400
+ ATOM 947 N NZ . LYS A 1 119 ? 7.939 47.148 -38.241 1.00 48.43 ? 119 LYS B NZ 1
1401
+ ATOM 948 N N . TYR A 1 120 ? 7.990 48.370 -44.749 1.00 30.75 ? 120 TYR B N 1
1402
+ ATOM 949 C CA . TYR A 1 120 ? 6.727 47.867 -45.235 1.00 32.99 ? 120 TYR B CA 1
1403
+ ATOM 950 C C . TYR A 1 120 ? 6.675 46.390 -45.070 1.00 34.52 ? 120 TYR B C 1
1404
+ ATOM 951 O O . TYR A 1 120 ? 7.718 45.782 -45.046 1.00 35.12 ? 120 TYR B O 1
1405
+ ATOM 952 C CB . TYR A 1 120 ? 6.490 48.236 -46.726 1.00 32.86 ? 120 TYR B CB 1
1406
+ ATOM 953 C CG . TYR A 1 120 ? 7.331 47.522 -47.774 1.00 31.94 ? 120 TYR B CG 1
1407
+ ATOM 954 C CD1 . TYR A 1 120 ? 6.775 46.519 -48.565 1.00 27.18 ? 120 TYR B CD1 1
1408
+ ATOM 955 C CD2 . TYR A 1 120 ? 8.666 47.882 -48.001 1.00 31.28 ? 120 TYR B CD2 1
1409
+ ATOM 956 C CE1 . TYR A 1 120 ? 7.525 45.866 -49.555 1.00 27.48 ? 120 TYR B CE1 1
1410
+ ATOM 957 C CE2 . TYR A 1 120 ? 9.420 47.268 -49.047 1.00 28.23 ? 120 TYR B CE2 1
1411
+ ATOM 958 C CZ . TYR A 1 120 ? 8.836 46.264 -49.808 1.00 31.96 ? 120 TYR B CZ 1
1412
+ ATOM 959 O OH . TYR A 1 120 ? 9.598 45.624 -50.789 1.00 30.14 ? 120 TYR B OH 1
1413
+ ATOM 960 N N . SER A 1 121 ? 5.460 45.834 -44.994 1.00 36.01 ? 121 SER B N 1
1414
+ ATOM 961 C CA . SER A 1 121 ? 5.261 44.391 -44.940 1.00 37.67 ? 121 SER B CA 1
1415
+ ATOM 962 C C . SER A 1 121 ? 3.989 44.024 -45.690 1.00 38.90 ? 121 SER B C 1
1416
+ ATOM 963 O O . SER A 1 121 ? 3.106 44.870 -45.890 1.00 40.37 ? 121 SER B O 1
1417
+ ATOM 964 C CB . SER A 1 121 ? 5.137 43.893 -43.474 1.00 37.93 ? 121 SER B CB 1
1418
+ ATOM 965 O OG . SER A 1 121 ? 4.072 44.539 -42.791 1.00 36.98 ? 121 SER B OG 1
1419
+ ATOM 966 N N . LEU A 1 122 ? 3.878 42.755 -46.053 1.00 41.08 ? 122 LEU B N 1
1420
+ ATOM 967 C CA . LEU A 1 122 ? 2.761 42.233 -46.893 1.00 43.47 ? 122 LEU B CA 1
1421
+ ATOM 968 C C . LEU A 1 122 ? 2.145 40.957 -46.335 1.00 44.39 ? 122 LEU B C 1
1422
+ ATOM 969 O O . LEU A 1 122 ? 2.901 40.073 -45.889 1.00 44.30 ? 122 LEU B O 1
1423
+ ATOM 970 C CB . LEU A 1 122 ? 3.325 41.805 -48.259 1.00 42.50 ? 122 LEU B CB 1
1424
+ ATOM 971 C CG . LEU A 1 122 ? 4.224 42.881 -48.854 1.00 43.15 ? 122 LEU B CG 1
1425
+ ATOM 972 C CD1 . LEU A 1 122 ? 5.094 42.317 -49.946 1.00 42.21 ? 122 LEU B CD1 1
1426
+ ATOM 973 C CD2 . LEU A 1 122 ? 3.322 44.010 -49.346 1.00 41.86 ? 122 LEU B CD2 1
1427
+ ATOM 974 N N . THR A 1 123 ? 0.812 40.859 -46.447 1.00 44.87 ? 123 THR B N 1
1428
+ ATOM 975 C CA . THR A 1 123 ? 0.046 39.629 -46.189 0.50 45.48 ? 123 THR B CA 1
1429
+ ATOM 976 C C . THR A 1 123 ? -1.027 39.519 -47.253 1.00 46.34 ? 123 THR B C 1
1430
+ ATOM 977 O O . THR A 1 123 ? -1.588 40.532 -47.639 1.00 46.23 ? 123 THR B O 1
1431
+ ATOM 978 C CB . THR A 1 123 ? -0.706 39.618 -44.808 0.50 45.32 ? 123 THR B CB 1
1432
+ ATOM 979 O OG1 . THR A 1 123 ? -1.474 40.828 -44.626 0.50 41.77 ? 123 THR B OG1 1
1433
+ ATOM 980 C CG2 . THR A 1 123 ? 0.272 39.421 -43.669 0.50 46.34 ? 123 THR B CG2 1
1434
+ ATOM 981 N N . PRO A 1 124 ? -1.326 38.290 -47.721 1.00 46.81 ? 124 PRO B N 1
1435
+ ATOM 982 C CA . PRO A 1 124 ? -2.400 38.087 -48.694 1.00 48.16 ? 124 PRO B CA 1
1436
+ ATOM 983 C C . PRO A 1 124 ? -3.644 38.795 -48.235 1.00 48.80 ? 124 PRO B C 1
1437
+ ATOM 984 O O . PRO A 1 124 ? -3.950 38.762 -47.028 1.00 49.83 ? 124 PRO B O 1
1438
+ ATOM 985 C CB . PRO A 1 124 ? -2.653 36.581 -48.604 1.00 47.92 ? 124 PRO B CB 1
1439
+ ATOM 986 C CG . PRO A 1 124 ? -1.307 36.003 -48.291 1.00 47.27 ? 124 PRO B CG 1
1440
+ ATOM 987 C CD . PRO A 1 124 ? -0.509 37.067 -47.571 1.00 47.29 ? 124 PRO B CD 1
1441
+ ATOM 988 N N . ALA A 1 125 ? -4.321 39.479 -49.149 1.00 48.30 ? 125 ALA B N 1
1442
+ ATOM 989 C CA . ALA A 1 125 ? -5.535 40.192 -48.783 1.00 48.86 ? 125 ALA B CA 1
1443
+ ATOM 990 C C . ALA A 1 125 ? -6.672 39.186 -48.823 1.00 49.34 ? 125 ALA B C 1
1444
+ ATOM 991 O O . ALA A 1 125 ? -6.601 38.125 -49.488 1.00 48.27 ? 125 ALA B O 1
1445
+ ATOM 992 C CB . ALA A 1 125 ? -5.839 41.379 -49.747 1.00 49.27 ? 125 ALA B CB 1
1446
+ ATOM 993 O OXT . ALA A 1 125 ? -7.677 39.493 -48.173 1.00 49.63 ? 125 ALA B OXT 1
1447
+ #
1448
+ loop_
1449
+ _pdbx_audit_revision_history.ordinal 1
1450
+ _pdbx_audit_revision_history.data_content_type 'Structure model'
1451
+ _pdbx_audit_revision_history.major_revision 1
1452
+ _pdbx_audit_revision_history.minor_revision 0
1453
+ _pdbx_audit_revision_history.revision_date 2015-10-28
1454
+ #
mmcifs/4RI1_A.cif ADDED
The diff for this file is too large to render. See raw diff