pytme 0.2.2__cp311-cp311-macosx_14_0_arm64.whl → 0.2.4__cp311-cp311-macosx_14_0_arm64.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (86) hide show
  1. {pytme-0.2.2.data → pytme-0.2.4.data}/scripts/match_template.py +97 -148
  2. {pytme-0.2.2.data → pytme-0.2.4.data}/scripts/postprocess.py +20 -29
  3. pytme-0.2.4.data/scripts/preprocess.py +148 -0
  4. {pytme-0.2.2.data → pytme-0.2.4.data}/scripts/preprocessor_gui.py +15 -23
  5. {pytme-0.2.2.dist-info → pytme-0.2.4.dist-info}/METADATA +11 -10
  6. pytme-0.2.4.dist-info/RECORD +119 -0
  7. {pytme-0.2.2.dist-info → pytme-0.2.4.dist-info}/WHEEL +1 -1
  8. {pytme-0.2.2.dist-info → pytme-0.2.4.dist-info}/top_level.txt +1 -0
  9. pytme-0.2.2.data/scripts/preprocess.py → scripts/eval.py +1 -1
  10. scripts/match_template.py +97 -148
  11. scripts/postprocess.py +20 -29
  12. scripts/preprocess.py +116 -61
  13. scripts/preprocessor_gui.py +15 -23
  14. tests/__init__.py +0 -0
  15. tests/data/.DS_Store +0 -0
  16. tests/data/Blurring/.DS_Store +0 -0
  17. tests/data/Blurring/blob_width18.npy +0 -0
  18. tests/data/Blurring/edgegaussian_sigma3.npy +0 -0
  19. tests/data/Blurring/gaussian_sigma2.npy +0 -0
  20. tests/data/Blurring/hamming_width6.npy +0 -0
  21. tests/data/Blurring/kaiserb_width18.npy +0 -0
  22. tests/data/Blurring/localgaussian_sigma0510.npy +0 -0
  23. tests/data/Blurring/mean_size5.npy +0 -0
  24. tests/data/Blurring/ntree_sigma0510.npy +0 -0
  25. tests/data/Blurring/rank_rank3.npy +0 -0
  26. tests/data/Maps/.DS_Store +0 -0
  27. tests/data/Maps/emd_8621.mrc.gz +0 -0
  28. tests/data/README.md +2 -0
  29. tests/data/Raw/.DS_Store +0 -0
  30. tests/data/Raw/em_map.map +0 -0
  31. tests/data/Structures/.DS_Store +0 -0
  32. tests/data/Structures/1pdj.cif +3339 -0
  33. tests/data/Structures/1pdj.pdb +1429 -0
  34. tests/data/Structures/5khe.cif +3685 -0
  35. tests/data/Structures/5khe.ent +2210 -0
  36. tests/data/Structures/5khe.pdb +2210 -0
  37. tests/data/Structures/5uz4.cif +70548 -0
  38. tests/preprocessing/__init__.py +0 -0
  39. tests/preprocessing/test_compose.py +76 -0
  40. tests/preprocessing/test_frequency_filters.py +178 -0
  41. tests/preprocessing/test_preprocessor.py +136 -0
  42. tests/preprocessing/test_utils.py +79 -0
  43. tests/test_analyzer.py +310 -0
  44. tests/test_backends.py +375 -0
  45. tests/test_density.py +508 -0
  46. tests/test_extensions.py +130 -0
  47. tests/test_matching_cli.py +283 -0
  48. tests/test_matching_data.py +162 -0
  49. tests/test_matching_exhaustive.py +162 -0
  50. tests/test_matching_memory.py +30 -0
  51. tests/test_matching_optimization.py +276 -0
  52. tests/test_matching_utils.py +326 -0
  53. tests/test_orientations.py +173 -0
  54. tests/test_packaging.py +95 -0
  55. tests/test_parser.py +33 -0
  56. tests/test_structure.py +243 -0
  57. tme/__init__.py +0 -1
  58. tme/__version__.py +1 -1
  59. tme/analyzer.py +9 -6
  60. tme/backends/__init__.py +1 -1
  61. tme/backends/_jax_utils.py +10 -8
  62. tme/backends/cupy_backend.py +2 -7
  63. tme/backends/jax_backend.py +35 -20
  64. tme/backends/npfftw_backend.py +3 -2
  65. tme/backends/pytorch_backend.py +10 -7
  66. tme/data/scattering_factors.pickle +0 -0
  67. tme/density.py +26 -12
  68. tme/extensions.cpython-311-darwin.so +0 -0
  69. tme/external/bindings.cpp +332 -0
  70. tme/matching_data.py +33 -24
  71. tme/matching_exhaustive.py +39 -20
  72. tme/matching_scores.py +5 -2
  73. tme/matching_utils.py +8 -2
  74. tme/orientations.py +26 -9
  75. tme/preprocessing/_utils.py +14 -14
  76. tme/preprocessing/composable_filter.py +5 -4
  77. tme/preprocessing/compose.py +4 -4
  78. tme/preprocessing/frequency_filters.py +32 -35
  79. tme/preprocessing/tilt_series.py +210 -148
  80. tme/preprocessor.py +24 -246
  81. tme/structure.py +14 -14
  82. pytme-0.2.2.dist-info/RECORD +0 -74
  83. tme/matching_memory.py +0 -383
  84. {pytme-0.2.2.data → pytme-0.2.4.data}/scripts/estimate_ram_usage.py +0 -0
  85. {pytme-0.2.2.dist-info → pytme-0.2.4.dist-info}/LICENSE +0 -0
  86. {pytme-0.2.2.dist-info → pytme-0.2.4.dist-info}/entry_points.txt +0 -0
tests/data/Structures/5khe.cif ADDED
@@ -0,0 +1,3685 @@
1
+ data_5KHE
2
+ #
3
+ _entry.id 5KHE
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.320
7
+ _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
8
+ #
9
+ loop_
10
+ _database_2.database_id
11
+ _database_2.database_code
12
+ PDB 5KHE
13
+ WWPDB D_1000221654
14
+ EMDB EMD-8249
15
+ #
16
+ loop_
17
+ _pdbx_database_related.db_name
18
+ _pdbx_database_related.details
19
+ _pdbx_database_related.db_id
20
+ _pdbx_database_related.content_type
21
+ EMDB . EMD-8249 'associated EM volume'
22
+ EMDB . EMD-8248 'other EM volume'
23
+ EMDB . EMD-8250 'other EM volume'
24
+ EMDB . EMD-8251 'other EM volume'
25
+ PDB . 5KHC unspecified
26
+ PDB . 5KHF unspecified
27
+ #
28
+ _pdbx_database_status.status_code REL
29
+ _pdbx_database_status.status_code_sf ?
30
+ _pdbx_database_status.status_code_mr ?
31
+ _pdbx_database_status.entry_id 5KHE
32
+ _pdbx_database_status.recvd_initial_deposition_date 2016-06-14
33
+ _pdbx_database_status.SG_entry N
34
+ _pdbx_database_status.deposit_site RCSB
35
+ _pdbx_database_status.process_site RCSB
36
+ _pdbx_database_status.status_code_cs ?
37
+ _pdbx_database_status.methods_development_category ?
38
+ _pdbx_database_status.pdb_format_compatible Y
39
+ #
40
+ loop_
41
+ _audit_author.name
42
+ _audit_author.pdbx_ordinal
43
+ 'Mangala Prasad, V.' 1
44
+ 'Klose, T.' 2
45
+ 'Rossmann, M.G.' 3
46
+ #
47
+ _citation.abstract ?
48
+ _citation.abstract_id_CAS ?
49
+ _citation.book_id_ISBN ?
50
+ _citation.book_publisher ?
51
+ _citation.book_publisher_city ?
52
+ _citation.book_title ?
53
+ _citation.coordinate_linkage ?
54
+ _citation.country US
55
+ _citation.database_id_Medline ?
56
+ _citation.details ?
57
+ _citation.id primary
58
+ _citation.journal_abbrev 'PLoS Pathog.'
59
+ _citation.journal_id_ASTM ?
60
+ _citation.journal_id_CSD ?
61
+ _citation.journal_id_ISSN 1553-7374
62
+ _citation.journal_full ?
63
+ _citation.journal_issue ?
64
+ _citation.journal_volume 13
65
+ _citation.language ?
66
+ _citation.page_first e1006377
67
+ _citation.page_last e1006377
68
+ _citation.title
69
+ 'Assembly, maturation and three-dimensional helical structure of the teratogenic rubella virus.'
70
+ _citation.year 2017
71
+ _citation.database_id_CSD ?
72
+ _citation.pdbx_database_id_DOI 10.1371/journal.ppat.1006377
73
+ _citation.pdbx_database_id_PubMed 28575072
74
+ _citation.unpublished_flag ?
75
+ #
76
+ loop_
77
+ _citation_author.citation_id
78
+ _citation_author.name
79
+ _citation_author.ordinal
80
+ _citation_author.identifier_ORCID
81
+ primary 'Mangala Prasad, V.' 1 ?
82
+ primary 'Klose, T.' 2 ?
83
+ primary 'Rossmann, M.G.' 3 ?
84
+ #
85
+ loop_
86
+ _entity.id
87
+ _entity.type
88
+ _entity.src_method
89
+ _entity.pdbx_description
90
+ _entity.formula_weight
91
+ _entity.pdbx_number_of_molecules
92
+ _entity.pdbx_ec
93
+ _entity.pdbx_mutation
94
+ _entity.pdbx_fragment
95
+ _entity.details
96
+ 1 polymer man 'capsid protein' 30016.332 2 ? ? 'UNP residues 9-277' ?
97
+ 2 water nat water 18.015 35 ? ? ? ?
98
+ #
99
+ _entity_poly.entity_id 1
100
+ _entity_poly.type 'polypeptide(L)'
101
+ _entity_poly.nstd_linkage no
102
+ _entity_poly.nstd_monomer no
103
+ _entity_poly.pdbx_seq_one_letter_code
104
+ ;MEDLQKALEAQSRALRAELAAGASQSRRPRPPRQRDSSTSGDDSGRDSGGPRRRRGNRGRGQRRDWSRAPPPPEERQETR
105
+ SQTPAPKPSRAPPQQPQPPRMQTGRGGSAPRPELGPPTNPFQAAVARGLRPPLHDPDTEAPTEACVTSWLWSEGEGAVFY
106
+ RVDLHFTNLGTPPLDEDGRWDPALMYNPCGPEPPAHVVRAYNQPAGDVRGVWGKGERTYAEQDFRVGGTRWHRLLRMPVR
107
+ GLDGDSAPLPPHTTERIETRSARHPWRIR
108
+ ;
109
+ _entity_poly.pdbx_seq_one_letter_code_can
110
+ ;MEDLQKALEAQSRALRAELAAGASQSRRPRPPRQRDSSTSGDDSGRDSGGPRRRRGNRGRGQRRDWSRAPPPPEERQETR
111
+ SQTPAPKPSRAPPQQPQPPRMQTGRGGSAPRPELGPPTNPFQAAVARGLRPPLHDPDTEAPTEACVTSWLWSEGEGAVFY
112
+ RVDLHFTNLGTPPLDEDGRWDPALMYNPCGPEPPAHVVRAYNQPAGDVRGVWGKGERTYAEQDFRVGGTRWHRLLRMPVR
113
+ GLDGDSAPLPPHTTERIETRSARHPWRIR
114
+ ;
115
+ _entity_poly.pdbx_strand_id A,B
116
+ _entity_poly.pdbx_target_identifier ?
117
+ #
118
+ loop_
119
+ _entity_poly_seq.entity_id
120
+ _entity_poly_seq.num
121
+ _entity_poly_seq.mon_id
122
+ _entity_poly_seq.hetero
123
+ 1 1 MET n
124
+ 1 2 GLU n
125
+ 1 3 ASP n
126
+ 1 4 LEU n
127
+ 1 5 GLN n
128
+ 1 6 LYS n
129
+ 1 7 ALA n
130
+ 1 8 LEU n
131
+ 1 9 GLU n
132
+ 1 10 ALA n
133
+ 1 11 GLN n
134
+ 1 12 SER n
135
+ 1 13 ARG n
136
+ 1 14 ALA n
137
+ 1 15 LEU n
138
+ 1 16 ARG n
139
+ 1 17 ALA n
140
+ 1 18 GLU n
141
+ 1 19 LEU n
142
+ 1 20 ALA n
143
+ 1 21 ALA n
144
+ 1 22 GLY n
145
+ 1 23 ALA n
146
+ 1 24 SER n
147
+ 1 25 GLN n
148
+ 1 26 SER n
149
+ 1 27 ARG n
150
+ 1 28 ARG n
151
+ 1 29 PRO n
152
+ 1 30 ARG n
153
+ 1 31 PRO n
154
+ 1 32 PRO n
155
+ 1 33 ARG n
156
+ 1 34 GLN n
157
+ 1 35 ARG n
158
+ 1 36 ASP n
159
+ 1 37 SER n
160
+ 1 38 SER n
161
+ 1 39 THR n
162
+ 1 40 SER n
163
+ 1 41 GLY n
164
+ 1 42 ASP n
165
+ 1 43 ASP n
166
+ 1 44 SER n
167
+ 1 45 GLY n
168
+ 1 46 ARG n
169
+ 1 47 ASP n
170
+ 1 48 SER n
171
+ 1 49 GLY n
172
+ 1 50 GLY n
173
+ 1 51 PRO n
174
+ 1 52 ARG n
175
+ 1 53 ARG n
176
+ 1 54 ARG n
177
+ 1 55 ARG n
178
+ 1 56 GLY n
179
+ 1 57 ASN n
180
+ 1 58 ARG n
181
+ 1 59 GLY n
182
+ 1 60 ARG n
183
+ 1 61 GLY n
184
+ 1 62 GLN n
185
+ 1 63 ARG n
186
+ 1 64 ARG n
187
+ 1 65 ASP n
188
+ 1 66 TRP n
189
+ 1 67 SER n
190
+ 1 68 ARG n
191
+ 1 69 ALA n
192
+ 1 70 PRO n
193
+ 1 71 PRO n
194
+ 1 72 PRO n
195
+ 1 73 PRO n
196
+ 1 74 GLU n
197
+ 1 75 GLU n
198
+ 1 76 ARG n
199
+ 1 77 GLN n
200
+ 1 78 GLU n
201
+ 1 79 THR n
202
+ 1 80 ARG n
203
+ 1 81 SER n
204
+ 1 82 GLN n
205
+ 1 83 THR n
206
+ 1 84 PRO n
207
+ 1 85 ALA n
208
+ 1 86 PRO n
209
+ 1 87 LYS n
210
+ 1 88 PRO n
211
+ 1 89 SER n
212
+ 1 90 ARG n
213
+ 1 91 ALA n
214
+ 1 92 PRO n
215
+ 1 93 PRO n
216
+ 1 94 GLN n
217
+ 1 95 GLN n
218
+ 1 96 PRO n
219
+ 1 97 GLN n
220
+ 1 98 PRO n
221
+ 1 99 PRO n
222
+ 1 100 ARG n
223
+ 1 101 MET n
224
+ 1 102 GLN n
225
+ 1 103 THR n
226
+ 1 104 GLY n
227
+ 1 105 ARG n
228
+ 1 106 GLY n
229
+ 1 107 GLY n
230
+ 1 108 SER n
231
+ 1 109 ALA n
232
+ 1 110 PRO n
233
+ 1 111 ARG n
234
+ 1 112 PRO n
235
+ 1 113 GLU n
236
+ 1 114 LEU n
237
+ 1 115 GLY n
238
+ 1 116 PRO n
239
+ 1 117 PRO n
240
+ 1 118 THR n
241
+ 1 119 ASN n
242
+ 1 120 PRO n
243
+ 1 121 PHE n
244
+ 1 122 GLN n
245
+ 1 123 ALA n
246
+ 1 124 ALA n
247
+ 1 125 VAL n
248
+ 1 126 ALA n
249
+ 1 127 ARG n
250
+ 1 128 GLY n
251
+ 1 129 LEU n
252
+ 1 130 ARG n
253
+ 1 131 PRO n
254
+ 1 132 PRO n
255
+ 1 133 LEU n
256
+ 1 134 HIS n
257
+ 1 135 ASP n
258
+ 1 136 PRO n
259
+ 1 137 ASP n
260
+ 1 138 THR n
261
+ 1 139 GLU n
262
+ 1 140 ALA n
263
+ 1 141 PRO n
264
+ 1 142 THR n
265
+ 1 143 GLU n
266
+ 1 144 ALA n
267
+ 1 145 CYS n
268
+ 1 146 VAL n
269
+ 1 147 THR n
270
+ 1 148 SER n
271
+ 1 149 TRP n
272
+ 1 150 LEU n
273
+ 1 151 TRP n
274
+ 1 152 SER n
275
+ 1 153 GLU n
276
+ 1 154 GLY n
277
+ 1 155 GLU n
278
+ 1 156 GLY n
279
+ 1 157 ALA n
280
+ 1 158 VAL n
281
+ 1 159 PHE n
282
+ 1 160 TYR n
283
+ 1 161 ARG n
284
+ 1 162 VAL n
285
+ 1 163 ASP n
286
+ 1 164 LEU n
287
+ 1 165 HIS n
288
+ 1 166 PHE n
289
+ 1 167 THR n
290
+ 1 168 ASN n
291
+ 1 169 LEU n
292
+ 1 170 GLY n
293
+ 1 171 THR n
294
+ 1 172 PRO n
295
+ 1 173 PRO n
296
+ 1 174 LEU n
297
+ 1 175 ASP n
298
+ 1 176 GLU n
299
+ 1 177 ASP n
300
+ 1 178 GLY n
301
+ 1 179 ARG n
302
+ 1 180 TRP n
303
+ 1 181 ASP n
304
+ 1 182 PRO n
305
+ 1 183 ALA n
306
+ 1 184 LEU n
307
+ 1 185 MET n
308
+ 1 186 TYR n
309
+ 1 187 ASN n
310
+ 1 188 PRO n
311
+ 1 189 CYS n
312
+ 1 190 GLY n
313
+ 1 191 PRO n
314
+ 1 192 GLU n
315
+ 1 193 PRO n
316
+ 1 194 PRO n
317
+ 1 195 ALA n
318
+ 1 196 HIS n
319
+ 1 197 VAL n
320
+ 1 198 VAL n
321
+ 1 199 ARG n
322
+ 1 200 ALA n
323
+ 1 201 TYR n
324
+ 1 202 ASN n
325
+ 1 203 GLN n
326
+ 1 204 PRO n
327
+ 1 205 ALA n
328
+ 1 206 GLY n
329
+ 1 207 ASP n
330
+ 1 208 VAL n
331
+ 1 209 ARG n
332
+ 1 210 GLY n
333
+ 1 211 VAL n
334
+ 1 212 TRP n
335
+ 1 213 GLY n
336
+ 1 214 LYS n
337
+ 1 215 GLY n
338
+ 1 216 GLU n
339
+ 1 217 ARG n
340
+ 1 218 THR n
341
+ 1 219 TYR n
342
+ 1 220 ALA n
343
+ 1 221 GLU n
344
+ 1 222 GLN n
345
+ 1 223 ASP n
346
+ 1 224 PHE n
347
+ 1 225 ARG n
348
+ 1 226 VAL n
349
+ 1 227 GLY n
350
+ 1 228 GLY n
351
+ 1 229 THR n
352
+ 1 230 ARG n
353
+ 1 231 TRP n
354
+ 1 232 HIS n
355
+ 1 233 ARG n
356
+ 1 234 LEU n
357
+ 1 235 LEU n
358
+ 1 236 ARG n
359
+ 1 237 MET n
360
+ 1 238 PRO n
361
+ 1 239 VAL n
362
+ 1 240 ARG n
363
+ 1 241 GLY n
364
+ 1 242 LEU n
365
+ 1 243 ASP n
366
+ 1 244 GLY n
367
+ 1 245 ASP n
368
+ 1 246 SER n
369
+ 1 247 ALA n
370
+ 1 248 PRO n
371
+ 1 249 LEU n
372
+ 1 250 PRO n
373
+ 1 251 PRO n
374
+ 1 252 HIS n
375
+ 1 253 THR n
376
+ 1 254 THR n
377
+ 1 255 GLU n
378
+ 1 256 ARG n
379
+ 1 257 ILE n
380
+ 1 258 GLU n
381
+ 1 259 THR n
382
+ 1 260 ARG n
383
+ 1 261 SER n
384
+ 1 262 ALA n
385
+ 1 263 ARG n
386
+ 1 264 HIS n
387
+ 1 265 PRO n
388
+ 1 266 TRP n
389
+ 1 267 ARG n
390
+ 1 268 ILE n
391
+ 1 269 ARG n
392
+ #
393
+ _entity_src_gen.entity_id 1
394
+ _entity_src_gen.pdbx_src_id 1
395
+ _entity_src_gen.pdbx_alt_source_flag sample
396
+ _entity_src_gen.pdbx_seq_type 'Biological sequence'
397
+ _entity_src_gen.pdbx_beg_seq_num 1
398
+ _entity_src_gen.pdbx_end_seq_num 269
399
+ _entity_src_gen.gene_src_common_name RUBV
400
+ _entity_src_gen.gene_src_genus ?
401
+ _entity_src_gen.pdbx_gene_src_gene ?
402
+ _entity_src_gen.gene_src_species ?
403
+ _entity_src_gen.gene_src_strain ?
404
+ _entity_src_gen.gene_src_tissue ?
405
+ _entity_src_gen.gene_src_tissue_fraction ?
406
+ _entity_src_gen.gene_src_details ?
407
+ _entity_src_gen.pdbx_gene_src_fragment ?
408
+ _entity_src_gen.pdbx_gene_src_scientific_name 'Rubella virus'
409
+ _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 11041
410
+ _entity_src_gen.pdbx_gene_src_variant ?
411
+ _entity_src_gen.pdbx_gene_src_cell_line ?
412
+ _entity_src_gen.pdbx_gene_src_atcc ?
413
+ _entity_src_gen.pdbx_gene_src_organ ?
414
+ _entity_src_gen.pdbx_gene_src_organelle ?
415
+ _entity_src_gen.pdbx_gene_src_cell ?
416
+ _entity_src_gen.pdbx_gene_src_cellular_location ?
417
+ _entity_src_gen.host_org_common_name ?
418
+ _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli'
419
+ _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562
420
+ _entity_src_gen.host_org_genus ?
421
+ _entity_src_gen.pdbx_host_org_gene ?
422
+ _entity_src_gen.pdbx_host_org_organ ?
423
+ _entity_src_gen.host_org_species ?
424
+ _entity_src_gen.pdbx_host_org_tissue ?
425
+ _entity_src_gen.pdbx_host_org_tissue_fraction ?
426
+ _entity_src_gen.pdbx_host_org_strain ?
427
+ _entity_src_gen.pdbx_host_org_variant ?
428
+ _entity_src_gen.pdbx_host_org_cell_line ?
429
+ _entity_src_gen.pdbx_host_org_atcc ?
430
+ _entity_src_gen.pdbx_host_org_culture_collection ?
431
+ _entity_src_gen.pdbx_host_org_cell ?
432
+ _entity_src_gen.pdbx_host_org_organelle ?
433
+ _entity_src_gen.pdbx_host_org_cellular_location ?
434
+ _entity_src_gen.pdbx_host_org_vector_type ?
435
+ _entity_src_gen.pdbx_host_org_vector ?
436
+ _entity_src_gen.host_org_details ?
437
+ _entity_src_gen.expression_system_id ?
438
+ _entity_src_gen.plasmid_name ?
439
+ _entity_src_gen.plasmid_details ?
440
+ _entity_src_gen.pdbx_description ?
441
+ #
442
+ _struct_ref.id 1
443
+ _struct_ref.db_name UNP
444
+ _struct_ref.db_code POLS_RUBVT
445
+ _struct_ref.pdbx_db_accession P07566
446
+ _struct_ref.pdbx_db_isoform ?
447
+ _struct_ref.entity_id 1
448
+ _struct_ref.pdbx_seq_one_letter_code
449
+ ;MEDLQKALEAQSRALRAELAAGASQSRRPRPPRQRDSSTSGDDSGRDSGGPRRRRGNRGRGQRRDWSRAPPPPEERQETR
450
+ SQTPAPKPSRAPPQQPQPPRMQTGRGGSAPRPELGPPTNPFQAAVARGLRPPLHDPDTEAPTEACVTSWLWSEGEGAVFY
451
+ RVDLHFTNLGTPPLDEDGRWDPALMYNPCGPEPPAHVVRAYNQPAGDVRGVWGKGERTYAEQDFRVGGTRWHRLLRMPVR
452
+ GLDGDSAPLPPHTTERIETRSARHPWRIR
453
+ ;
454
+ _struct_ref.pdbx_align_begin 9
455
+ #
456
+ loop_
457
+ _struct_ref_seq.align_id
458
+ _struct_ref_seq.ref_id
459
+ _struct_ref_seq.pdbx_PDB_id_code
460
+ _struct_ref_seq.pdbx_strand_id
461
+ _struct_ref_seq.seq_align_beg
462
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code
463
+ _struct_ref_seq.seq_align_end
464
+ _struct_ref_seq.pdbx_seq_align_end_ins_code
465
+ _struct_ref_seq.pdbx_db_accession
466
+ _struct_ref_seq.db_align_beg
467
+ _struct_ref_seq.pdbx_db_align_beg_ins_code
468
+ _struct_ref_seq.db_align_end
469
+ _struct_ref_seq.pdbx_db_align_end_ins_code
470
+ _struct_ref_seq.pdbx_auth_seq_align_beg
471
+ _struct_ref_seq.pdbx_auth_seq_align_end
472
+ 1 1 5KHE A 1 ? 269 ? P07566 9 ? 277 ? -117 151
473
+ 2 1 5KHE B 1 ? 269 ? P07566 9 ? 277 ? -117 151
474
+ #
475
+ loop_
476
+ _chem_comp.id
477
+ _chem_comp.type
478
+ _chem_comp.mon_nstd_flag
479
+ _chem_comp.name
480
+ _chem_comp.pdbx_synonyms
481
+ _chem_comp.formula
482
+ _chem_comp.formula_weight
483
+ ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093
484
+ ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209
485
+ ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118
486
+ ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103
487
+ CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158
488
+ GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144
489
+ GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129
490
+ GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067
491
+ HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162
492
+ HOH non-polymer . WATER ? 'H2 O' 18.015
493
+ ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173
494
+ LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173
495
+ LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195
496
+ MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211
497
+ PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189
498
+ PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130
499
+ SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093
500
+ THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119
501
+ TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225
502
+ TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189
503
+ VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146
504
+ #
505
+ _exptl.absorpt_coefficient_mu ?
506
+ _exptl.absorpt_correction_T_max ?
507
+ _exptl.absorpt_correction_T_min ?
508
+ _exptl.absorpt_correction_type ?
509
+ _exptl.absorpt_process_details ?
510
+ _exptl.entry_id 5KHE
511
+ _exptl.crystals_number ?
512
+ _exptl.details ?
513
+ _exptl.method 'ELECTRON MICROSCOPY'
514
+ _exptl.method_details ?
515
+ #
516
+ _struct.entry_id 5KHE
517
+ _struct.title 'Fitted structure of rubella virus capsid protein'
518
+ _struct.pdbx_descriptor 'capsid protein'
519
+ _struct.pdbx_model_details ?
520
+ _struct.pdbx_formula_weight ?
521
+ _struct.pdbx_formula_weight_method ?
522
+ _struct.pdbx_model_type_details ?
523
+ _struct.pdbx_CASP_flag N
524
+ #
525
+ _struct_keywords.entry_id 5KHE
526
+ _struct_keywords.text 'rubella virus capsid protein, VIRAL PROTEIN'
527
+ _struct_keywords.pdbx_keywords 'VIRAL PROTEIN'
528
+ #
529
+ loop_
530
+ _struct_asym.id
531
+ _struct_asym.pdbx_blank_PDB_chainid_flag
532
+ _struct_asym.pdbx_modified
533
+ _struct_asym.entity_id
534
+ _struct_asym.details
535
+ A N N 1 ?
536
+ B N N 1 ?
537
+ C N N 2 ?
538
+ #
539
+ loop_
540
+ _struct_conf.conf_type_id
541
+ _struct_conf.id
542
+ _struct_conf.pdbx_PDB_helix_id
543
+ _struct_conf.beg_label_comp_id
544
+ _struct_conf.beg_label_asym_id
545
+ _struct_conf.beg_label_seq_id
546
+ _struct_conf.pdbx_beg_PDB_ins_code
547
+ _struct_conf.end_label_comp_id
548
+ _struct_conf.end_label_asym_id
549
+ _struct_conf.end_label_seq_id
550
+ _struct_conf.pdbx_end_PDB_ins_code
551
+ _struct_conf.beg_auth_comp_id
552
+ _struct_conf.beg_auth_asym_id
553
+ _struct_conf.beg_auth_seq_id
554
+ _struct_conf.end_auth_comp_id
555
+ _struct_conf.end_auth_asym_id
556
+ _struct_conf.end_auth_seq_id
557
+ _struct_conf.pdbx_PDB_helix_class
558
+ _struct_conf.details
559
+ _struct_conf.pdbx_PDB_helix_length
560
+ HELX_P HELX_P1 AA1 ASP A 181 ? TYR A 186 ? ASP A 63 TYR A 68 1 ? 6
561
+ HELX_P HELX_P2 AA2 PRO A 194 ? ASN A 202 ? PRO A 76 ASN A 84 1 ? 9
562
+ HELX_P HELX_P3 AA3 PRO B 194 ? GLN B 203 ? PRO B 76 GLN B 85 1 ? 10
563
+ #
564
+ _struct_conf_type.id HELX_P
565
+ _struct_conf_type.criteria ?
566
+ _struct_conf_type.reference ?
567
+ #
568
+ loop_
569
+ _struct_conn.id
570
+ _struct_conn.conn_type_id
571
+ _struct_conn.pdbx_leaving_atom_flag
572
+ _struct_conn.pdbx_PDB_id
573
+ _struct_conn.ptnr1_label_asym_id
574
+ _struct_conn.ptnr1_label_comp_id
575
+ _struct_conn.ptnr1_label_seq_id
576
+ _struct_conn.ptnr1_label_atom_id
577
+ _struct_conn.pdbx_ptnr1_label_alt_id
578
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
579
+ _struct_conn.pdbx_ptnr1_standard_comp_id
580
+ _struct_conn.ptnr1_symmetry
581
+ _struct_conn.ptnr2_label_asym_id
582
+ _struct_conn.ptnr2_label_comp_id
583
+ _struct_conn.ptnr2_label_seq_id
584
+ _struct_conn.ptnr2_label_atom_id
585
+ _struct_conn.pdbx_ptnr2_label_alt_id
586
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
587
+ _struct_conn.ptnr1_auth_asym_id
588
+ _struct_conn.ptnr1_auth_comp_id
589
+ _struct_conn.ptnr1_auth_seq_id
590
+ _struct_conn.ptnr2_auth_asym_id
591
+ _struct_conn.ptnr2_auth_comp_id
592
+ _struct_conn.ptnr2_auth_seq_id
593
+ _struct_conn.ptnr2_symmetry
594
+ _struct_conn.pdbx_ptnr3_label_atom_id
595
+ _struct_conn.pdbx_ptnr3_label_seq_id
596
+ _struct_conn.pdbx_ptnr3_label_comp_id
597
+ _struct_conn.pdbx_ptnr3_label_asym_id
598
+ _struct_conn.pdbx_ptnr3_label_alt_id
599
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
600
+ _struct_conn.details
601
+ _struct_conn.pdbx_dist_value
602
+ _struct_conn.pdbx_value_order
603
+ disulf1 disulf ? ? A CYS 145 SG ? ? ? 1_555 B CYS 189 SG ? ? A CYS 27 B CYS 71 1_555 ? ? ? ? ? ? ? 2.032 ?
604
+ disulf2 disulf ? ? A CYS 189 SG ? ? ? 1_555 B CYS 145 SG ? ? A CYS 71 B CYS 27 1_555 ? ? ? ? ? ? ? 2.038 ?
605
+ #
606
+ _struct_conn_type.id disulf
607
+ _struct_conn_type.criteria ?
608
+ _struct_conn_type.reference ?
609
+ #
610
+ loop_
611
+ _struct_mon_prot_cis.pdbx_id
612
+ _struct_mon_prot_cis.label_comp_id
613
+ _struct_mon_prot_cis.label_seq_id
614
+ _struct_mon_prot_cis.label_asym_id
615
+ _struct_mon_prot_cis.label_alt_id
616
+ _struct_mon_prot_cis.pdbx_PDB_ins_code
617
+ _struct_mon_prot_cis.auth_comp_id
618
+ _struct_mon_prot_cis.auth_seq_id
619
+ _struct_mon_prot_cis.auth_asym_id
620
+ _struct_mon_prot_cis.pdbx_label_comp_id_2
621
+ _struct_mon_prot_cis.pdbx_label_seq_id_2
622
+ _struct_mon_prot_cis.pdbx_label_asym_id_2
623
+ _struct_mon_prot_cis.pdbx_PDB_ins_code_2
624
+ _struct_mon_prot_cis.pdbx_auth_comp_id_2
625
+ _struct_mon_prot_cis.pdbx_auth_seq_id_2
626
+ _struct_mon_prot_cis.pdbx_auth_asym_id_2
627
+ _struct_mon_prot_cis.pdbx_PDB_model_num
628
+ _struct_mon_prot_cis.pdbx_omega_angle
629
+ 1 GLY 190 A . ? GLY 72 A PRO 191 A ? PRO 73 A 1 -0.63
630
+ 2 ASP 177 B . ? ASP 59 B GLY 178 B ? GLY 60 B 1 -9.90
631
+ 3 GLY 190 B . ? GLY 72 B PRO 191 B ? PRO 73 B 1 -7.84
632
+ 4 TRP 212 B . ? TRP 94 B GLY 213 B ? GLY 95 B 1 4.70
633
+ #
634
+ _struct_sheet.id AA1
635
+ _struct_sheet.type ?
636
+ _struct_sheet.number_strands 10
637
+ _struct_sheet.details ?
638
+ #
639
+ loop_
640
+ _struct_sheet_order.sheet_id
641
+ _struct_sheet_order.range_id_1
642
+ _struct_sheet_order.range_id_2
643
+ _struct_sheet_order.offset
644
+ _struct_sheet_order.sense
645
+ AA1 1 2 ? anti-parallel
646
+ AA1 2 3 ? anti-parallel
647
+ AA1 3 4 ? anti-parallel
648
+ AA1 4 5 ? anti-parallel
649
+ AA1 5 6 ? anti-parallel
650
+ AA1 6 7 ? anti-parallel
651
+ AA1 7 8 ? anti-parallel
652
+ AA1 8 9 ? anti-parallel
653
+ AA1 9 10 ? anti-parallel
654
+ #
655
+ loop_
656
+ _struct_sheet_range.sheet_id
657
+ _struct_sheet_range.id
658
+ _struct_sheet_range.beg_label_comp_id
659
+ _struct_sheet_range.beg_label_asym_id
660
+ _struct_sheet_range.beg_label_seq_id
661
+ _struct_sheet_range.pdbx_beg_PDB_ins_code
662
+ _struct_sheet_range.end_label_comp_id
663
+ _struct_sheet_range.end_label_asym_id
664
+ _struct_sheet_range.end_label_seq_id
665
+ _struct_sheet_range.pdbx_end_PDB_ins_code
666
+ _struct_sheet_range.beg_auth_comp_id
667
+ _struct_sheet_range.beg_auth_asym_id
668
+ _struct_sheet_range.beg_auth_seq_id
669
+ _struct_sheet_range.end_auth_comp_id
670
+ _struct_sheet_range.end_auth_asym_id
671
+ _struct_sheet_range.end_auth_seq_id
672
+ AA1 1 VAL A 208 ? TRP A 212 ? VAL A 90 TRP A 94
673
+ AA1 2 TYR A 219 ? VAL A 226 ? TYR A 101 VAL A 108
674
+ AA1 3 THR A 229 ? ARG A 236 ? THR A 111 ARG A 118
675
+ AA1 4 GLU A 143 ? SER A 152 ? GLU A 25 SER A 34
676
+ AA1 5 PHE A 159 ? ASN A 168 ? PHE A 41 ASN A 50
677
+ AA1 6 PHE B 159 ? ASN B 168 ? PHE B 41 ASN B 50
678
+ AA1 7 ALA B 144 ? SER B 152 ? ALA B 26 SER B 34
679
+ AA1 8 THR B 229 ? ARG B 236 ? THR B 111 ARG B 118
680
+ AA1 9 ARG B 217 ? VAL B 226 ? ARG B 99 VAL B 108
681
+ AA1 10 ARG B 209 ? GLY B 213 ? ARG B 91 GLY B 95
682
+ #
683
+ loop_
684
+ _pdbx_struct_sheet_hbond.sheet_id
685
+ _pdbx_struct_sheet_hbond.range_id_1
686
+ _pdbx_struct_sheet_hbond.range_id_2
687
+ _pdbx_struct_sheet_hbond.range_1_label_atom_id
688
+ _pdbx_struct_sheet_hbond.range_1_label_comp_id
689
+ _pdbx_struct_sheet_hbond.range_1_label_asym_id
690
+ _pdbx_struct_sheet_hbond.range_1_label_seq_id
691
+ _pdbx_struct_sheet_hbond.range_1_PDB_ins_code
692
+ _pdbx_struct_sheet_hbond.range_1_auth_atom_id
693
+ _pdbx_struct_sheet_hbond.range_1_auth_comp_id
694
+ _pdbx_struct_sheet_hbond.range_1_auth_asym_id
695
+ _pdbx_struct_sheet_hbond.range_1_auth_seq_id
696
+ _pdbx_struct_sheet_hbond.range_2_label_atom_id
697
+ _pdbx_struct_sheet_hbond.range_2_label_comp_id
698
+ _pdbx_struct_sheet_hbond.range_2_label_asym_id
699
+ _pdbx_struct_sheet_hbond.range_2_label_seq_id
700
+ _pdbx_struct_sheet_hbond.range_2_PDB_ins_code
701
+ _pdbx_struct_sheet_hbond.range_2_auth_atom_id
702
+ _pdbx_struct_sheet_hbond.range_2_auth_comp_id
703
+ _pdbx_struct_sheet_hbond.range_2_auth_asym_id
704
+ _pdbx_struct_sheet_hbond.range_2_auth_seq_id
705
+ AA1 1 2 N TRP A 212 ? N TRP A 94 O TYR A 219 ? O TYR A 101
706
+ AA1 2 3 N PHE A 224 ? N PHE A 106 O TRP A 231 ? O TRP A 113
707
+ AA1 3 4 O LEU A 234 ? O LEU A 116 N TRP A 149 ? N TRP A 31
708
+ AA1 4 5 N VAL A 146 ? N VAL A 28 O LEU A 164 ? O LEU A 46
709
+ AA1 5 6 N HIS A 165 ? N HIS A 47 O ASP B 163 ? O ASP B 45
710
+ AA1 6 7 O PHE B 166 ? O PHE B 48 N ALA B 144 ? N ALA B 26
711
+ AA1 7 8 N TRP B 151 ? N TRP B 33 O HIS B 232 ? O HIS B 114
712
+ AA1 8 9 O TRP B 231 ? O TRP B 113 N PHE B 224 ? N PHE B 106
713
+ AA1 9 10 O TYR B 219 ? O TYR B 101 N VAL B 211 ? N VAL B 93
714
+ #
715
+ _atom_sites.entry_id 5KHE
716
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
717
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
718
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
719
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
720
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
721
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
722
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
723
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
724
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
725
+ _atom_sites.fract_transf_vector[1] 0.00000
726
+ _atom_sites.fract_transf_vector[2] 0.00000
727
+ _atom_sites.fract_transf_vector[3] 0.00000
728
+ #
729
+ loop_
730
+ _atom_type.symbol
731
+ C
732
+ N
733
+ O
734
+ S
735
+ #
736
+ loop_
737
+ _atom_site.group_PDB
738
+ _atom_site.id
739
+ _atom_site.type_symbol
740
+ _atom_site.label_atom_id
741
+ _atom_site.label_alt_id
742
+ _atom_site.label_comp_id
743
+ _atom_site.label_asym_id
744
+ _atom_site.label_entity_id
745
+ _atom_site.label_seq_id
746
+ _atom_site.pdbx_PDB_ins_code
747
+ _atom_site.Cartn_x
748
+ _atom_site.Cartn_y
749
+ _atom_site.Cartn_z
750
+ _atom_site.occupancy
751
+ _atom_site.B_iso_or_equiv
752
+ _atom_site.pdbx_formal_charge
753
+ _atom_site.auth_seq_id
754
+ _atom_site.auth_comp_id
755
+ _atom_site.auth_asym_id
756
+ _atom_site.auth_atom_id
757
+ _atom_site.pdbx_PDB_model_num
758
+ ATOM 1 N N . THR A 1 142 ? -15.127 19.002 2.433 1.00 59.48 ? 24 THR A N 1
759
+ ATOM 2 C CA . THR A 1 142 ? -15.480 19.103 1.021 1.00 63.21 ? 24 THR A CA 1
760
+ ATOM 3 C C . THR A 1 142 ? -14.434 19.840 0.159 1.00 54.01 ? 24 THR A C 1
761
+ ATOM 4 O O . THR A 1 142 ? -14.043 20.979 0.454 1.00 38.66 ? 24 THR A O 1
762
+ ATOM 5 C CB . THR A 1 142 ? -16.844 19.802 0.873 1.00 20.00 ? 24 THR A CB 1
763
+ ATOM 6 O OG1 . THR A 1 142 ? -16.770 21.119 1.430 1.00 20.00 ? 24 THR A OG1 1
764
+ ATOM 7 C CG2 . THR A 1 142 ? -17.892 19.115 1.736 1.00 20.00 ? 24 THR A CG2 1
765
+ ATOM 8 N N . GLU A 1 143 ? -14.028 19.188 -0.930 1.00 55.11 ? 25 GLU A N 1
766
+ ATOM 9 C CA . GLU A 1 143 ? -12.782 19.526 -1.617 1.00 57.40 ? 25 GLU A CA 1
767
+ ATOM 10 C C . GLU A 1 143 ? -12.914 20.217 -2.968 1.00 48.69 ? 25 GLU A C 1
768
+ ATOM 11 O O . GLU A 1 143 ? -13.831 19.967 -3.742 1.00 58.07 ? 25 GLU A O 1
769
+ ATOM 12 C CB . GLU A 1 143 ? -11.894 18.280 -1.748 1.00 61.69 ? 25 GLU A CB 1
770
+ ATOM 13 N N . ALA A 1 144 ? -11.965 21.099 -3.221 1.00 38.25 ? 26 ALA A N 1
771
+ ATOM 14 C CA . ALA A 1 144 ? -11.775 21.719 -4.516 1.00 37.74 ? 26 ALA A CA 1
772
+ ATOM 15 C C . ALA A 1 144 ? -10.273 21.935 -4.681 1.00 33.01 ? 26 ALA A C 1
773
+ ATOM 16 O O . ALA A 1 144 ? -9.512 21.917 -3.704 1.00 29.85 ? 26 ALA A O 1
774
+ ATOM 17 C CB . ALA A 1 144 ? -12.513 23.038 -4.595 1.00 27.39 ? 26 ALA A CB 1
775
+ ATOM 18 N N . CYS A 1 145 ? -9.843 22.134 -5.913 1.00 25.57 ? 27 CYS A N 1
776
+ ATOM 19 C CA . CYS A 1 145 ? -8.434 22.317 -6.169 1.00 18.74 ? 27 CYS A CA 1
777
+ ATOM 20 C C . CYS A 1 145 ? -8.206 23.248 -7.357 1.00 26.09 ? 27 CYS A C 1
778
+ ATOM 21 O O . CYS A 1 145 ? -9.089 23.420 -8.199 1.00 24.46 ? 27 CYS A O 1
779
+ ATOM 22 C CB . CYS A 1 145 ? -7.773 20.972 -6.432 1.00 18.83 ? 27 CYS A CB 1
780
+ ATOM 23 S SG . CYS A 1 145 ? -5.967 21.117 -6.639 1.00 47.90 ? 27 CYS A SG 1
781
+ ATOM 24 N N . VAL A 1 146 ? -7.016 23.843 -7.420 1.00 19.35 ? 28 VAL A N 1
782
+ ATOM 25 C CA . VAL A 1 146 ? -6.657 24.706 -8.534 1.00 22.98 ? 28 VAL A CA 1
783
+ ATOM 26 C C . VAL A 1 146 ? -5.126 24.674 -8.620 1.00 25.67 ? 28 VAL A C 1
784
+ ATOM 27 O O . VAL A 1 146 ? -4.459 24.456 -7.604 1.00 19.10 ? 28 VAL A O 1
785
+ ATOM 28 C CB . VAL A 1 146 ? -7.240 26.133 -8.354 1.00 34.47 ? 28 VAL A CB 1
786
+ ATOM 29 C CG1 . VAL A 1 146 ? -6.637 26.821 -7.140 1.00 41.38 ? 28 VAL A CG1 1
787
+ ATOM 30 C CG2 . VAL A 1 146 ? -7.023 26.968 -9.581 1.00 28.18 ? 28 VAL A CG2 1
788
+ ATOM 31 N N . THR A 1 147 ? -4.569 24.840 -9.822 1.00 22.19 ? 29 THR A N 1
789
+ ATOM 32 C CA . THR A 1 147 ? -3.131 24.634 -10.011 1.00 25.02 ? 29 THR A CA 1
790
+ ATOM 33 C C . THR A 1 147 ? -2.368 25.896 -10.384 1.00 18.48 ? 29 THR A C 1
791
+ ATOM 34 O O . THR A 1 147 ? -2.821 26.681 -11.210 1.00 19.78 ? 29 THR A O 1
792
+ ATOM 35 C CB . THR A 1 147 ? -2.849 23.560 -11.095 1.00 29.40 ? 29 THR A CB 1
793
+ ATOM 36 O OG1 . THR A 1 147 ? -3.632 22.395 -10.830 1.00 17.72 ? 29 THR A OG1 1
794
+ ATOM 37 C CG2 . THR A 1 147 ? -1.385 23.163 -11.095 1.00 16.72 ? 29 THR A CG2 1
795
+ ATOM 38 N N . SER A 1 148 ? -1.197 26.072 -9.781 1.00 21.52 ? 30 SER A N 1
796
+ ATOM 39 C CA . SER A 1 148 ? -0.299 27.171 -10.137 1.00 19.49 ? 30 SER A CA 1
797
+ ATOM 40 C C . SER A 1 148 ? 0.986 26.622 -10.710 1.00 21.27 ? 30 SER A C 1
798
+ ATOM 41 O O . SER A 1 148 ? 1.248 25.436 -10.576 1.00 17.50 ? 30 SER A O 1
799
+ ATOM 42 C CB . SER A 1 148 ? 0.068 27.986 -8.901 1.00 24.20 ? 30 SER A CB 1
800
+ ATOM 43 O OG . SER A 1 148 ? -0.978 28.849 -8.523 1.00 32.45 ? 30 SER A OG 1
801
+ ATOM 44 N N . TRP A 1 149 ? 1.791 27.489 -11.326 1.00 15.74 ? 31 TRP A N 1
802
+ ATOM 45 C CA . TRP A 1 149 ? 3.158 27.150 -11.695 1.00 15.67 ? 31 TRP A CA 1
803
+ ATOM 46 C C . TRP A 1 149 ? 4.072 28.292 -11.306 1.00 15.57 ? 31 TRP A C 1
804
+ ATOM 47 O O . TRP A 1 149 ? 3.643 29.428 -11.191 1.00 31.08 ? 31 TRP A O 1
805
+ ATOM 48 C CB . TRP A 1 149 ? 3.285 26.849 -13.202 1.00 23.08 ? 31 TRP A CB 1
806
+ ATOM 49 C CG . TRP A 1 149 ? 2.785 25.481 -13.552 1.00 16.55 ? 31 TRP A CG 1
807
+ ATOM 50 C CD1 . TRP A 1 149 ? 3.519 24.341 -13.622 1.00 17.78 ? 31 TRP A CD1 1
808
+ ATOM 51 C CD2 . TRP A 1 149 ? 1.427 25.103 -13.828 1.00 20.87 ? 31 TRP A CD2 1
809
+ ATOM 52 N NE1 . TRP A 1 149 ? 2.710 23.269 -13.938 1.00 16.99 ? 31 TRP A NE1 1
810
+ ATOM 53 C CE2 . TRP A 1 149 ? 1.419 23.714 -14.073 1.00 23.13 ? 31 TRP A CE2 1
811
+ ATOM 54 C CE3 . TRP A 1 149 ? 0.222 25.807 -13.908 1.00 17.35 ? 31 TRP A CE3 1
812
+ ATOM 55 C CZ2 . TRP A 1 149 ? 0.255 23.015 -14.389 1.00 17.91 ? 31 TRP A CZ2 1
813
+ ATOM 56 C CZ3 . TRP A 1 149 ? -0.942 25.107 -14.225 1.00 20.21 ? 31 TRP A CZ3 1
814
+ ATOM 57 C CH2 . TRP A 1 149 ? -0.913 23.728 -14.457 1.00 28.34 ? 31 TRP A CH2 1
815
+ ATOM 58 N N . LEU A 1 150 ? 5.346 27.989 -11.132 1.00 17.48 ? 32 LEU A N 1
816
+ ATOM 59 C CA . LEU A 1 150 ? 6.285 28.947 -10.585 1.00 20.59 ? 32 LEU A CA 1
817
+ ATOM 60 C C . LEU A 1 150 ? 7.683 28.498 -10.983 1.00 25.66 ? 32 LEU A C 1
818
+ ATOM 61 O O . LEU A 1 150 ? 7.981 27.297 -11.001 1.00 30.07 ? 32 LEU A O 1
819
+ ATOM 62 C CB . LEU A 1 150 ? 6.161 28.970 -9.048 1.00 27.58 ? 32 LEU A CB 1
820
+ ATOM 63 C CG . LEU A 1 150 ? 7.271 29.663 -8.247 1.00 31.44 ? 32 LEU A CG 1
821
+ ATOM 64 C CD1 . LEU A 1 150 ? 6.984 31.140 -8.180 1.00 39.43 ? 32 LEU A CD1 1
822
+ ATOM 65 C CD2 . LEU A 1 150 ? 7.471 29.079 -6.839 1.00 20.11 ? 32 LEU A CD2 1
823
+ ATOM 66 N N . TRP A 1 151 ? 8.543 29.454 -11.298 1.00 17.33 ? 33 TRP A N 1
824
+ ATOM 67 C CA . TRP A 1 151 ? 9.900 29.132 -11.698 1.00 20.53 ? 33 TRP A CA 1
825
+ ATOM 68 C C . TRP A 1 151 ? 10.797 30.341 -11.579 1.00 23.13 ? 33 TRP A C 1
826
+ ATOM 69 O O . TRP A 1 151 ? 10.358 31.478 -11.742 1.00 25.47 ? 33 TRP A O 1
827
+ ATOM 70 C CB . TRP A 1 151 ? 9.944 28.566 -13.123 1.00 16.91 ? 33 TRP A CB 1
828
+ ATOM 71 C CG . TRP A 1 151 ? 9.636 29.535 -14.245 1.00 17.67 ? 33 TRP A CG 1
829
+ ATOM 72 C CD1 . TRP A 1 151 ? 10.541 30.332 -14.922 1.00 18.76 ? 33 TRP A CD1 1
830
+ ATOM 73 C CD2 . TRP A 1 151 ? 8.354 29.767 -14.872 1.00 17.69 ? 33 TRP A CD2 1
831
+ ATOM 74 N NE1 . TRP A 1 151 ? 9.885 31.049 -15.908 1.00 24.26 ? 33 TRP A NE1 1
832
+ ATOM 75 C CE2 . TRP A 1 151 ? 8.552 30.717 -15.901 1.00 18.57 ? 33 TRP A CE2 1
833
+ ATOM 76 C CE3 . TRP A 1 151 ? 7.061 29.269 -14.659 1.00 22.01 ? 33 TRP A CE3 1
834
+ ATOM 77 C CZ2 . TRP A 1 151 ? 7.501 31.173 -16.708 1.00 23.05 ? 33 TRP A CZ2 1
835
+ ATOM 78 C CZ3 . TRP A 1 151 ? 6.017 29.734 -15.465 1.00 17.86 ? 33 TRP A CZ3 1
836
+ ATOM 79 C CH2 . TRP A 1 151 ? 6.246 30.666 -16.476 1.00 18.77 ? 33 TRP A CH2 1
837
+ ATOM 80 N N . SER A 1 152 ? 12.058 30.082 -11.281 1.00 19.74 ? 34 SER A N 1
838
+ ATOM 81 C CA . SER A 1 152 ? 13.007 31.151 -11.077 1.00 25.46 ? 34 SER A CA 1
839
+ ATOM 82 C C . SER A 1 152 ? 13.965 31.203 -12.251 1.00 33.60 ? 34 SER A C 1
840
+ ATOM 83 O O . SER A 1 152 ? 13.917 30.349 -13.143 1.00 28.02 ? 34 SER A O 1
841
+ ATOM 84 C CB . SER A 1 152 ? 13.791 30.914 -9.783 1.00 23.72 ? 34 SER A CB 1
842
+ ATOM 85 O OG . SER A 1 152 ? 14.526 29.700 -9.853 1.00 29.38 ? 34 SER A OG 1
843
+ ATOM 86 N N . GLU A 1 153 ? 14.840 32.206 -12.215 1.00 36.13 ? 35 GLU A N 1
844
+ ATOM 87 C CA . GLU A 1 153 ? 15.872 32.410 -13.219 1.00 43.02 ? 35 GLU A CA 1
845
+ ATOM 88 C C . GLU A 1 153 ? 17.278 32.224 -12.650 1.00 46.53 ? 35 GLU A C 1
846
+ ATOM 89 O O . GLU A 1 153 ? 17.468 32.175 -11.433 1.00 53.09 ? 35 GLU A O 1
847
+ ATOM 90 C CB . GLU A 1 153 ? 15.752 33.817 -13.800 1.00 46.21 ? 35 GLU A CB 1
848
+ ATOM 91 C CG . GLU A 1 153 ? 14.377 34.142 -14.340 1.00 53.59 ? 35 GLU A CG 1
849
+ ATOM 92 C CD . GLU A 1 153 ? 14.377 35.349 -15.270 1.00 58.19 ? 35 GLU A CD 1
850
+ ATOM 93 O OE1 . GLU A 1 153 ? 15.467 35.898 -15.560 1.00 56.70 ? 35 GLU A OE1 1
851
+ ATOM 94 O OE2 . GLU A 1 153 ? 13.277 35.741 -15.715 1.00 57.46 ? 35 GLU A OE2 1
852
+ ATOM 95 N N . GLY A 1 154 ? 18.261 32.121 -13.541 1.00 47.53 ? 36 GLY A N 1
853
+ ATOM 96 C CA . GLY A 1 154 ? 19.662 32.083 -13.147 1.00 47.80 ? 36 GLY A CA 1
854
+ ATOM 97 C C . GLY A 1 154 ? 20.230 30.733 -12.731 1.00 47.27 ? 36 GLY A C 1
855
+ ATOM 98 O O . GLY A 1 154 ? 19.645 29.675 -12.980 1.00 45.02 ? 36 GLY A O 1
856
+ ATOM 99 N N . GLU A 1 155 ? 21.396 30.785 -12.099 1.00 48.42 ? 37 GLU A N 1
857
+ ATOM 100 C CA . GLU A 1 155 ? 22.057 29.597 -11.585 1.00 46.83 ? 37 GLU A CA 1
858
+ ATOM 101 C C . GLU A 1 155 ? 21.158 28.840 -10.609 1.00 45.67 ? 37 GLU A C 1
859
+ ATOM 102 O O . GLU A 1 155 ? 20.666 29.405 -9.628 1.00 49.36 ? 37 GLU A O 1
860
+ ATOM 103 C CB . GLU A 1 155 ? 23.369 29.997 -10.905 1.00 56.57 ? 37 GLU A CB 1
861
+ ATOM 104 C CG . GLU A 1 155 ? 23.795 29.100 -9.746 1.00 67.87 ? 37 GLU A CG 1
862
+ ATOM 105 C CD . GLU A 1 155 ? 24.418 27.792 -10.203 1.00 81.11 ? 37 GLU A CD 1
863
+ ATOM 106 O OE1 . GLU A 1 155 ? 24.376 26.811 -9.427 1.00 83.51 ? 37 GLU A OE1 1
864
+ ATOM 107 O OE2 . GLU A 1 155 ? 24.958 27.749 -11.333 1.00 86.03 ? 37 GLU A OE2 1
865
+ ATOM 108 N N . GLY A 1 156 ? 20.944 27.558 -10.884 1.00 45.17 ? 38 GLY A N 1
866
+ ATOM 109 C CA . GLY A 1 156 ? 20.134 26.717 -10.025 1.00 43.59 ? 38 GLY A CA 1
867
+ ATOM 110 C C . GLY A 1 156 ? 18.650 27.051 -10.055 1.00 41.12 ? 38 GLY A C 1
868
+ ATOM 111 O O . GLY A 1 156 ? 17.936 26.833 -9.069 1.00 41.26 ? 38 GLY A O 1
869
+ ATOM 112 N N . ALA A 1 157 ? 18.189 27.582 -11.183 1.00 32.95 ? 39 ALA A N 1
870
+ ATOM 113 C CA . ALA A 1 157 ? 16.776 27.882 -11.374 1.00 32.87 ? 39 ALA A CA 1
871
+ ATOM 114 C C . ALA A 1 157 ? 15.923 26.644 -11.093 1.00 33.36 ? 39 ALA A C 1
872
+ ATOM 115 O O . ALA A 1 157 ? 16.377 25.523 -11.278 1.00 37.37 ? 39 ALA A O 1
873
+ ATOM 116 C CB . ALA A 1 157 ? 16.531 28.391 -12.774 1.00 25.74 ? 39 ALA A CB 1
874
+ ATOM 117 N N . VAL A 1 158 ? 14.706 26.849 -10.610 1.00 26.12 ? 40 VAL A N 1
875
+ ATOM 118 C CA . VAL A 1 158 ? 13.814 25.735 -10.334 1.00 28.09 ? 40 VAL A CA 1
876
+ ATOM 119 C C . VAL A 1 158 ? 12.475 25.959 -11.016 1.00 27.28 ? 40 VAL A C 1
877
+ ATOM 120 O O . VAL A 1 158 ? 12.203 27.032 -11.527 1.00 33.25 ? 40 VAL A O 1
878
+ ATOM 121 C CB . VAL A 1 158 ? 13.556 25.560 -8.832 1.00 26.64 ? 40 VAL A CB 1
879
+ ATOM 122 C CG1 . VAL A 1 158 ? 14.864 25.440 -8.069 1.00 32.32 ? 40 VAL A CG1 1
880
+ ATOM 123 C CG2 . VAL A 1 158 ? 12.721 26.719 -8.297 1.00 30.52 ? 40 VAL A CG2 1
881
+ ATOM 124 N N . PHE A 1 159 ? 11.624 24.947 -10.977 1.00 24.30 ? 41 PHE A N 1
882
+ ATOM 125 C CA . PHE A 1 159 ? 10.366 24.944 -11.704 1.00 21.33 ? 41 PHE A CA 1
883
+ ATOM 126 C C . PHE A 1 159 ? 9.509 24.062 -10.864 1.00 19.81 ? 41 PHE A C 1
884
+ ATOM 127 O O . PHE A 1 159 ? 9.875 22.906 -10.634 1.00 20.81 ? 41 PHE A O 1
885
+ ATOM 128 C CB . PHE A 1 159 ? 10.572 24.295 -13.093 1.00 25.83 ? 41 PHE A CB 1
886
+ ATOM 129 C CG . PHE A 1 159 ? 9.332 24.262 -13.984 1.00 27.99 ? 41 PHE A CG 1
887
+ ATOM 130 C CD1 . PHE A 1 159 ? 8.227 25.046 -13.720 1.00 22.41 ? 41 PHE A CD1 1
888
+ ATOM 131 C CD2 . PHE A 1 159 ? 9.293 23.424 -15.097 1.00 27.90 ? 41 PHE A CD2 1
889
+ ATOM 132 C CE1 . PHE A 1 159 ? 7.114 24.994 -14.532 1.00 24.16 ? 41 PHE A CE1 1
890
+ ATOM 133 C CE2 . PHE A 1 159 ? 8.186 23.371 -15.912 1.00 21.46 ? 41 PHE A CE2 1
891
+ ATOM 134 C CZ . PHE A 1 159 ? 7.095 24.157 -15.631 1.00 28.28 ? 41 PHE A CZ 1
892
+ ATOM 135 N N . TYR A 1 160 ? 8.387 24.598 -10.391 1.00 15.47 ? 42 TYR A N 1
893
+ ATOM 136 C CA . TYR A 1 160 ? 7.445 23.809 -9.594 1.00 23.05 ? 42 TYR A CA 1
894
+ ATOM 137 C C . TYR A 1 160 ? 6.028 23.872 -10.127 1.00 15.17 ? 42 TYR A C 1
895
+ ATOM 138 O O . TYR A 1 160 ? 5.608 24.877 -10.678 1.00 15.20 ? 42 TYR A O 1
896
+ ATOM 139 C CB . TYR A 1 160 ? 7.447 24.231 -8.111 1.00 21.29 ? 42 TYR A CB 1
897
+ ATOM 140 C CG . TYR A 1 160 ? 8.631 23.718 -7.319 1.00 20.70 ? 42 TYR A CG 1
898
+ ATOM 141 C CD1 . TYR A 1 160 ? 9.881 24.305 -7.461 1.00 27.42 ? 42 TYR A CD1 1
899
+ ATOM 142 C CD2 . TYR A 1 160 ? 8.505 22.655 -6.438 1.00 22.48 ? 42 TYR A CD2 1
900
+ ATOM 143 C CE1 . TYR A 1 160 ? 10.968 23.852 -6.762 1.00 26.55 ? 42 TYR A CE1 1
901
+ ATOM 144 C CE2 . TYR A 1 160 ? 9.606 22.190 -5.714 1.00 17.12 ? 42 TYR A CE2 1
902
+ ATOM 145 C CZ . TYR A 1 160 ? 10.826 22.802 -5.889 1.00 23.77 ? 42 TYR A CZ 1
903
+ ATOM 146 O OH . TYR A 1 160 ? 11.932 22.383 -5.210 1.00 28.09 ? 42 TYR A OH 1
904
+ ATOM 147 N N . ARG A 1 161 ? 5.310 22.775 -9.964 1.00 16.23 ? 43 ARG A N 1
905
+ ATOM 148 C CA . ARG A 1 161 ? 3.855 22.790 -10.010 1.00 16.89 ? 43 ARG A CA 1
906
+ ATOM 149 C C . ARG A 1 161 ? 3.312 23.001 -8.582 1.00 21.73 ? 43 ARG A C 1
907
+ ATOM 150 O O . ARG A 1 161 ? 3.855 22.446 -7.616 1.00 17.24 ? 43 ARG A O 1
908
+ ATOM 151 C CB . ARG A 1 161 ? 3.335 21.454 -10.552 1.00 19.53 ? 43 ARG A CB 1
909
+ ATOM 152 C CG . ARG A 1 161 ? 1.801 21.356 -10.474 1.00 26.94 ? 43 ARG A CG 1
910
+ ATOM 153 C CD . ARG A 1 161 ? 1.298 19.964 -10.756 1.00 16.79 ? 43 ARG A CD 1
911
+ ATOM 154 N NE . ARG A 1 161 ? 0.995 19.802 -12.158 1.00 37.79 ? 43 ARG A NE 1
912
+ ATOM 155 C CZ . ARG A 1 161 ? -0.221 19.573 -12.638 1.00 36.23 ? 43 ARG A CZ 1
913
+ ATOM 156 N NH1 . ARG A 1 161 ? -1.253 19.461 -11.808 1.00 18.19 ? 43 ARG A NH1 1
914
+ ATOM 157 N NH2 . ARG A 1 161 ? -0.381 19.430 -13.953 1.00 24.88 ? 43 ARG A NH2 1
915
+ ATOM 158 N N . VAL A 1 162 ? 2.263 23.804 -8.425 1.00 24.32 ? 44 VAL A N 1
916
+ ATOM 159 C CA . VAL A 1 162 ? 1.596 23.890 -7.114 1.00 24.24 ? 44 VAL A CA 1
917
+ ATOM 160 C C . VAL A 1 162 ? 0.090 23.583 -7.161 1.00 27.10 ? 44 VAL A C 1
918
+ ATOM 161 O O . VAL A 1 162 ? -0.708 24.299 -7.774 1.00 15.13 ? 44 VAL A O 1
919
+ ATOM 162 C CB . VAL A 1 162 ? 1.821 25.245 -6.412 1.00 27.53 ? 44 VAL A CB 1
920
+ ATOM 163 C CG1 . VAL A 1 162 ? 1.274 25.193 -4.989 1.00 21.93 ? 44 VAL A CG1 1
921
+ ATOM 164 C CG2 . VAL A 1 162 ? 3.296 25.598 -6.390 1.00 27.57 ? 44 VAL A CG2 1
922
+ ATOM 165 N N . ASP A 1 163 ? -0.298 22.502 -6.510 1.00 15.11 ? 45 ASP A N 1
923
+ ATOM 166 C CA . ASP A 1 163 ? -1.698 22.143 -6.493 1.00 25.28 ? 45 ASP A CA 1
924
+ ATOM 167 C C . ASP A 1 163 ? -2.297 22.652 -5.177 1.00 29.11 ? 45 ASP A C 1
925
+ ATOM 168 O O . ASP A 1 163 ? -1.926 22.206 -4.086 1.00 32.22 ? 45 ASP A O 1
926
+ ATOM 169 C CB . ASP A 1 163 ? -1.852 20.629 -6.667 1.00 35.88 ? 45 ASP A CB 1
927
+ ATOM 170 C CG . ASP A 1 163 ? -1.478 20.158 -8.079 1.00 38.30 ? 45 ASP A CG 1
928
+ ATOM 171 O OD1 . ASP A 1 163 ? -1.929 20.801 -9.045 1.00 45.16 ? 45 ASP A OD1 1
929
+ ATOM 172 O OD2 . ASP A 1 163 ? -0.732 19.157 -8.226 1.00 36.40 ? 45 ASP A OD2 1
930
+ ATOM 173 N N . LEU A 1 164 ? -3.198 23.615 -5.284 1.00 24.04 ? 46 LEU A N 1
931
+ ATOM 174 C CA . LEU A 1 164 ? -3.785 24.207 -4.101 1.00 24.39 ? 46 LEU A CA 1
932
+ ATOM 175 C C . LEU A 1 164 ? -5.085 23.485 -3.775 1.00 35.07 ? 46 LEU A C 1
933
+ ATOM 176 O O . LEU A 1 164 ? -6.113 23.667 -4.452 1.00 34.07 ? 46 LEU A O 1
934
+ ATOM 177 C CB . LEU A 1 164 ? -4.018 25.710 -4.286 1.00 19.70 ? 46 LEU A CB 1
935
+ ATOM 178 C CG . LEU A 1 164 ? -2.763 26.593 -4.359 1.00 25.27 ? 46 LEU A CG 1
936
+ ATOM 179 C CD1 . LEU A 1 164 ? -2.105 26.533 -5.724 1.00 23.69 ? 46 LEU A CD1 1
937
+ ATOM 180 C CD2 . LEU A 1 164 ? -3.113 28.022 -4.036 1.00 27.13 ? 46 LEU A CD2 1
938
+ ATOM 181 N N . HIS A 1 165 ? -5.026 22.655 -2.740 1.00 16.16 ? 47 HIS A N 1
939
+ ATOM 182 C CA . HIS A 1 165 ? -6.183 21.878 -2.332 1.00 25.84 ? 47 HIS A CA 1
940
+ ATOM 183 C C . HIS A 1 165 ? -6.979 22.651 -1.301 1.00 23.37 ? 47 HIS A C 1
941
+ ATOM 184 O O . HIS A 1 165 ? -6.516 22.855 -0.182 1.00 18.19 ? 47 HIS A O 1
942
+ ATOM 185 C CB . HIS A 1 165 ? -5.766 20.509 -1.793 1.00 23.01 ? 47 HIS A CB 1
943
+ ATOM 186 C CG . HIS A 1 165 ? -5.208 19.594 -2.840 1.00 33.37 ? 47 HIS A CG 1
944
+ ATOM 187 N ND1 . HIS A 1 165 ? -5.975 18.647 -3.490 1.00 41.53 ? 47 HIS A ND1 1
945
+ ATOM 188 C CD2 . HIS A 1 165 ? -3.960 19.485 -3.359 1.00 29.93 ? 47 HIS A CD2 1
946
+ ATOM 189 C CE1 . HIS A 1 165 ? -5.221 17.994 -4.358 1.00 37.45 ? 47 HIS A CE1 1
947
+ ATOM 190 N NE2 . HIS A 1 165 ? -3.994 18.483 -4.299 1.00 30.80 ? 47 HIS A NE2 1
948
+ ATOM 191 N N . PHE A 1 166 ? -8.175 23.083 -1.699 1.00 19.56 ? 48 PHE A N 1
949
+ ATOM 192 C CA . PHE A 1 166 ? -9.054 23.854 -0.836 1.00 18.31 ? 48 PHE A CA 1
950
+ ATOM 193 C C . PHE A 1 166 ? -10.056 22.961 -0.128 1.00 28.65 ? 48 PHE A C 1
951
+ ATOM 194 O O . PHE A 1 166 ? -10.864 22.298 -0.776 1.00 28.95 ? 48 PHE A O 1
952
+ ATOM 195 C CB . PHE A 1 166 ? -9.828 24.888 -1.644 1.00 22.47 ? 48 PHE A CB 1
953
+ ATOM 196 C CG . PHE A 1 166 ? -9.035 26.103 -1.989 1.00 22.31 ? 48 PHE A CG 1
954
+ ATOM 197 C CD1 . PHE A 1 166 ? -7.949 26.017 -2.847 1.00 26.72 ? 48 PHE A CD1 1
955
+ ATOM 198 C CD2 . PHE A 1 166 ? -9.388 27.339 -1.477 1.00 25.11 ? 48 PHE A CD2 1
956
+ ATOM 199 C CE1 . PHE A 1 166 ? -7.213 27.147 -3.176 1.00 26.60 ? 48 PHE A CE1 1
957
+ ATOM 200 C CE2 . PHE A 1 166 ? -8.661 28.472 -1.800 1.00 25.05 ? 48 PHE A CE2 1
958
+ ATOM 201 C CZ . PHE A 1 166 ? -7.568 28.373 -2.657 1.00 25.13 ? 48 PHE A CZ 1
959
+ ATOM 202 N N . THR A 1 167 ? -10.028 22.975 1.202 1.00 28.67 ? 49 THR A N 1
960
+ ATOM 203 C CA . THR A 1 167 ? -10.991 22.218 1.985 1.00 23.44 ? 49 THR A CA 1
961
+ ATOM 204 C C . THR A 1 167 ? -11.872 23.133 2.812 1.00 26.62 ? 49 THR A C 1
962
+ ATOM 205 O O . THR A 1 167 ? -11.378 23.864 3.683 1.00 23.26 ? 49 THR A O 1
963
+ ATOM 206 C CB . THR A 1 167 ? -10.299 21.181 2.903 1.00 23.73 ? 49 THR A CB 1
964
+ ATOM 207 O OG1 . THR A 1 167 ? -9.744 20.136 2.096 1.00 23.84 ? 49 THR A OG1 1
965
+ ATOM 208 C CG2 . THR A 1 167 ? -11.291 20.567 3.877 1.00 30.21 ? 49 THR A CG2 1
966
+ ATOM 209 N N . ASN A 1 168 ? -13.176 23.071 2.534 1.00 21.13 ? 50 ASN A N 1
967
+ ATOM 210 C CA . ASN A 1 168 ? -14.198 23.767 3.316 1.00 21.87 ? 50 ASN A CA 1
968
+ ATOM 211 C C . ASN A 1 168 ? -14.472 23.095 4.664 1.00 28.03 ? 50 ASN A C 1
969
+ ATOM 212 O O . ASN A 1 168 ? -14.964 21.971 4.709 1.00 37.82 ? 50 ASN A O 1
970
+ ATOM 213 C CB . ASN A 1 168 ? -15.503 23.859 2.526 1.00 22.93 ? 50 ASN A CB 1
971
+ ATOM 214 C CG . ASN A 1 168 ? -16.462 24.876 3.105 1.00 34.75 ? 50 ASN A CG 1
972
+ ATOM 215 O OD1 . ASN A 1 168 ? -16.586 25.028 4.330 1.00 31.00 ? 50 ASN A OD1 1
973
+ ATOM 216 N ND2 . ASN A 1 168 ? -17.147 25.594 2.224 1.00 43.58 ? 50 ASN A ND2 1
974
+ ATOM 217 N N . LEU A 1 169 ? -14.179 23.799 5.757 1.00 23.12 ? 51 LEU A N 1
975
+ ATOM 218 C CA . LEU A 1 169 ? -14.300 23.234 7.091 1.00 26.07 ? 51 LEU A CA 1
976
+ ATOM 219 C C . LEU A 1 169 ? -15.649 23.544 7.729 1.00 35.55 ? 51 LEU A C 1
977
+ ATOM 220 O O . LEU A 1 169 ? -15.838 23.311 8.927 1.00 36.97 ? 51 LEU A O 1
978
+ ATOM 221 C CB . LEU A 1 169 ? -13.151 23.719 7.994 1.00 29.38 ? 51 LEU A CB 1
979
+ ATOM 222 C CG . LEU A 1 169 ? -11.745 23.391 7.465 1.00 35.54 ? 51 LEU A CG 1
980
+ ATOM 223 C CD1 . LEU A 1 169 ? -10.680 23.779 8.459 1.00 38.63 ? 51 LEU A CD1 1
981
+ ATOM 224 C CD2 . LEU A 1 169 ? -11.620 21.913 7.137 1.00 38.82 ? 51 LEU A CD2 1
982
+ ATOM 225 N N . GLY A 1 170 ? -16.585 24.059 6.933 1.00 36.78 ? 52 GLY A N 1
983
+ ATOM 226 C CA . GLY A 1 170 ? -17.924 24.350 7.426 1.00 39.82 ? 52 GLY A CA 1
984
+ ATOM 227 C C . GLY A 1 170 ? -17.928 25.436 8.488 1.00 43.64 ? 52 GLY A C 1
985
+ ATOM 228 O O . GLY A 1 170 ? -17.514 26.574 8.235 1.00 46.83 ? 52 GLY A O 1
986
+ ATOM 229 N N . THR A 1 171 ? -18.400 25.083 9.680 1.00 43.37 ? 53 THR A N 1
987
+ ATOM 230 C CA . THR A 1 171 ? -18.339 25.978 10.831 1.00 46.89 ? 53 THR A CA 1
988
+ ATOM 231 C C . THR A 1 171 ? -17.495 25.331 11.940 1.00 45.38 ? 53 THR A C 1
989
+ ATOM 232 O O . THR A 1 171 ? -17.998 24.538 12.735 1.00 44.11 ? 53 THR A O 1
990
+ ATOM 233 C CB . THR A 1 171 ? -19.751 26.296 11.375 1.00 49.06 ? 53 THR A CB 1
991
+ ATOM 234 O OG1 . THR A 1 171 ? -20.421 25.067 11.689 1.00 52.16 ? 53 THR A OG1 1
992
+ ATOM 235 C CG2 . THR A 1 171 ? -20.575 27.079 10.344 1.00 41.65 ? 53 THR A CG2 1
993
+ ATOM 236 N N . PRO A 1 172 ? -16.195 25.650 11.987 1.00 44.05 ? 54 PRO A N 1
994
+ ATOM 237 C CA . PRO A 1 172 ? -15.350 25.064 13.036 1.00 44.23 ? 54 PRO A CA 1
995
+ ATOM 238 C C . PRO A 1 172 ? -15.651 25.666 14.415 1.00 41.94 ? 54 PRO A C 1
996
+ ATOM 239 O O . PRO A 1 172 ? -16.249 26.744 14.492 1.00 48.02 ? 54 PRO A O 1
997
+ ATOM 240 C CB . PRO A 1 172 ? -13.933 25.433 12.580 1.00 48.28 ? 54 PRO A CB 1
998
+ ATOM 241 C CG . PRO A 1 172 ? -14.115 26.687 11.782 1.00 44.35 ? 54 PRO A CG 1
999
+ ATOM 242 C CD . PRO A 1 172 ? -15.436 26.522 11.074 1.00 44.18 ? 54 PRO A CD 1
1000
+ ATOM 243 N N . PRO A 1 173 ? -15.262 24.970 15.499 1.00 42.63 ? 55 PRO A N 1
1001
+ ATOM 244 C CA . PRO A 1 173 ? -15.366 25.569 16.839 1.00 52.68 ? 55 PRO A CA 1
1002
+ ATOM 245 C C . PRO A 1 173 ? -14.566 26.881 16.977 1.00 54.21 ? 55 PRO A C 1
1003
+ ATOM 246 O O . PRO A 1 173 ? -13.453 26.983 16.457 1.00 53.33 ? 55 PRO A O 1
1004
+ ATOM 247 C CB . PRO A 1 173 ? -14.806 24.474 17.767 1.00 48.46 ? 55 PRO A CB 1
1005
+ ATOM 248 C CG . PRO A 1 173 ? -14.134 23.474 16.865 1.00 42.58 ? 55 PRO A CG 1
1006
+ ATOM 249 C CD . PRO A 1 173 ? -14.866 23.554 15.560 1.00 38.58 ? 55 PRO A CD 1
1007
+ ATOM 250 N N . LEU A 1 174 ? -15.154 27.869 17.654 1.00 56.91 ? 56 LEU A N 1
1008
+ ATOM 251 C CA . LEU A 1 174 ? -14.540 29.193 17.839 1.00 58.98 ? 56 LEU A CA 1
1009
+ ATOM 252 C C . LEU A 1 174 ? -14.389 29.534 19.327 1.00 68.17 ? 56 LEU A C 1
1010
+ ATOM 253 O O . LEU A 1 174 ? -14.970 28.861 20.183 1.00 72.22 ? 56 LEU A O 1
1011
+ ATOM 254 C CB . LEU A 1 174 ? -15.372 30.275 17.131 1.00 45.01 ? 56 LEU A CB 1
1012
+ ATOM 255 C CG . LEU A 1 174 ? -15.575 30.077 15.618 1.00 44.43 ? 56 LEU A CG 1
1013
+ ATOM 256 C CD1 . LEU A 1 174 ? -16.711 30.936 15.058 1.00 40.43 ? 56 LEU A CD1 1
1014
+ ATOM 257 C CD2 . LEU A 1 174 ? -14.284 30.343 14.849 1.00 31.02 ? 56 LEU A CD2 1
1015
+ ATOM 258 N N . ASP A 1 175 ? -13.603 30.567 19.636 1.00 68.93 ? 57 ASP A N 1
1016
+ ATOM 259 C CA . ASP A 1 175 ? -13.424 31.007 21.025 1.00 78.63 ? 57 ASP A CA 1
1017
+ ATOM 260 C C . ASP A 1 175 ? -14.497 32.024 21.421 1.00 81.24 ? 57 ASP A C 1
1018
+ ATOM 261 O O . ASP A 1 175 ? -15.501 32.168 20.723 1.00 78.39 ? 57 ASP A O 1
1019
+ ATOM 262 C CB . ASP A 1 175 ? -12.007 31.572 21.256 1.00 80.16 ? 57 ASP A CB 1
1020
+ ATOM 263 C CG . ASP A 1 175 ? -11.737 32.862 20.479 1.00 77.76 ? 57 ASP A CG 1
1021
+ ATOM 264 O OD1 . ASP A 1 175 ? -12.527 33.191 19.575 1.00 78.88 ? 57 ASP A OD1 1
1022
+ ATOM 265 O OD2 . ASP A 1 175 ? -10.722 33.542 20.766 1.00 72.19 ? 57 ASP A OD2 1
1023
+ ATOM 266 N N . GLU A 1 176 ? -14.299 32.722 22.535 1.00 86.86 ? 58 GLU A N 1
1024
+ ATOM 267 C CA . GLU A 1 176 ? -15.143 33.878 22.839 1.00 99.82 ? 58 GLU A CA 1
1025
+ ATOM 268 C C . GLU A 1 176 ? -14.951 34.917 21.738 1.00 102.42 ? 58 GLU A C 1
1026
+ ATOM 269 O O . GLU A 1 176 ? -13.996 34.828 20.969 1.00 102.42 ? 58 GLU A O 1
1027
+ ATOM 270 C CB . GLU A 1 176 ? -14.788 34.483 24.200 1.00 108.19 ? 58 GLU A CB 1
1028
+ ATOM 271 C CG . GLU A 1 176 ? -15.595 33.933 25.369 1.00 115.15 ? 58 GLU A CG 1
1029
+ ATOM 272 C CD . GLU A 1 176 ? -15.070 32.607 25.891 1.00 118.29 ? 58 GLU A CD 1
1030
+ ATOM 273 O OE1 . GLU A 1 176 ? -14.998 31.633 25.106 1.00 119.23 ? 58 GLU A OE1 1
1031
+ ATOM 274 O OE2 . GLU A 1 176 ? -14.731 32.540 27.094 1.00 118.51 ? 58 GLU A OE2 1
1032
+ ATOM 275 N N . ASP A 1 177 ? -15.853 35.895 21.664 1.00 102.16 ? 59 ASP A N 1
1033
+ ATOM 276 C CA . ASP A 1 177 ? -15.849 36.891 20.583 1.00 96.24 ? 59 ASP A CA 1
1034
+ ATOM 277 C C . ASP A 1 177 ? -16.261 36.269 19.238 1.00 87.74 ? 59 ASP A C 1
1035
+ ATOM 278 O O . ASP A 1 177 ? -17.134 36.792 18.543 1.00 94.71 ? 59 ASP A O 1
1036
+ ATOM 279 C CB . ASP A 1 177 ? -14.493 37.620 20.461 1.00 94.01 ? 59 ASP A CB 1
1037
+ ATOM 280 C CG . ASP A 1 177 ? -13.956 38.117 21.805 1.00 95.19 ? 59 ASP A CG 1
1038
+ ATOM 281 O OD1 . ASP A 1 177 ? -13.282 37.335 22.512 1.00 94.38 ? 59 ASP A OD1 1
1039
+ ATOM 282 O OD2 . ASP A 1 177 ? -14.190 39.297 22.147 1.00 95.79 ? 59 ASP A OD2 1
1040
+ ATOM 283 N N . GLY A 1 178 ? -15.635 35.148 18.883 1.00 71.08 ? 60 GLY A N 1
1041
+ ATOM 284 C CA . GLY A 1 178 ? -15.974 34.418 17.673 1.00 58.68 ? 60 GLY A CA 1
1042
+ ATOM 285 C C . GLY A 1 178 ? -14.787 34.267 16.738 1.00 53.42 ? 60 GLY A C 1
1043
+ ATOM 286 O O . GLY A 1 178 ? -14.950 34.221 15.514 1.00 55.89 ? 60 GLY A O 1
1044
+ ATOM 287 N N . ARG A 1 179 ? -13.589 34.183 17.316 1.00 54.20 ? 61 ARG A N 1
1045
+ ATOM 288 C CA . ARG A 1 179 ? -12.348 34.155 16.536 1.00 53.83 ? 61 ARG A CA 1
1046
+ ATOM 289 C C . ARG A 1 179 ? -11.820 32.729 16.294 1.00 52.86 ? 61 ARG A C 1
1047
+ ATOM 290 O O . ARG A 1 179 ? -11.842 31.879 17.185 1.00 58.23 ? 61 ARG A O 1
1048
+ ATOM 291 C CB . ARG A 1 179 ? -11.264 34.997 17.222 1.00 53.43 ? 61 ARG A CB 1
1049
+ ATOM 292 C CG . ARG A 1 179 ? -11.782 36.066 18.185 1.00 67.31 ? 61 ARG A CG 1
1050
+ ATOM 293 C CD . ARG A 1 179 ? -12.369 37.262 17.455 1.00 75.61 ? 61 ARG A CD 1
1051
+ ATOM 294 N NE . ARG A 1 179 ? -11.492 37.730 16.385 1.00 83.99 ? 61 ARG A NE 1
1052
+ ATOM 295 C CZ . ARG A 1 179 ? -10.587 38.696 16.515 1.00 85.06 ? 61 ARG A CZ 1
1053
+ ATOM 296 N NH1 . ARG A 1 179 ? -10.432 39.313 17.679 1.00 80.50 ? 61 ARG A NH1 1
1054
+ ATOM 297 N NH2 . ARG A 1 179 ? -9.837 39.044 15.472 1.00 85.27 ? 61 ARG A NH2 1
1055
+ ATOM 298 N N . TRP A 1 180 ? -11.340 32.479 15.082 1.00 46.25 ? 62 TRP A N 1
1056
+ ATOM 299 C CA . TRP A 1 180 ? -10.706 31.210 14.736 1.00 36.72 ? 62 TRP A CA 1
1057
+ ATOM 300 C C . TRP A 1 180 ? -9.181 31.378 14.843 1.00 35.72 ? 62 TRP A C 1
1058
+ ATOM 301 O O . TRP A 1 180 ? -8.637 32.407 14.414 1.00 34.42 ? 62 TRP A O 1
1059
+ ATOM 302 C CB . TRP A 1 180 ? -11.082 30.862 13.301 1.00 33.51 ? 62 TRP A CB 1
1060
+ ATOM 303 C CG . TRP A 1 180 ? -11.004 29.417 12.946 1.00 32.22 ? 62 TRP A CG 1
1061
+ ATOM 304 C CD1 . TRP A 1 180 ? -11.209 28.354 13.777 1.00 27.29 ? 62 TRP A CD1 1
1062
+ ATOM 305 C CD2 . TRP A 1 180 ? -10.706 28.870 11.651 1.00 31.76 ? 62 TRP A CD2 1
1063
+ ATOM 306 N NE1 . TRP A 1 180 ? -11.063 27.175 13.072 1.00 23.30 ? 62 TRP A NE1 1
1064
+ ATOM 307 C CE2 . TRP A 1 180 ? -10.748 27.466 11.770 1.00 22.13 ? 62 TRP A CE2 1
1065
+ ATOM 308 C CE3 . TRP A 1 180 ? -10.403 29.434 10.403 1.00 32.25 ? 62 TRP A CE3 1
1066
+ ATOM 309 C CZ2 . TRP A 1 180 ? -10.509 26.617 10.693 1.00 21.42 ? 62 TRP A CZ2 1
1067
+ ATOM 310 C CZ3 . TRP A 1 180 ? -10.155 28.579 9.328 1.00 23.75 ? 62 TRP A CZ3 1
1068
+ ATOM 311 C CH2 . TRP A 1 180 ? -10.209 27.193 9.483 1.00 27.85 ? 62 TRP A CH2 1
1069
+ ATOM 312 N N . ASP A 1 181 ? -8.497 30.387 15.414 1.00 31.21 ? 63 ASP A N 1
1070
+ ATOM 313 C CA . ASP A 1 181 ? -7.026 30.403 15.517 1.00 28.68 ? 63 ASP A CA 1
1071
+ ATOM 314 C C . ASP A 1 181 ? -6.399 29.132 14.924 1.00 25.45 ? 63 ASP A C 1
1072
+ ATOM 315 O O . ASP A 1 181 ? -5.730 28.371 15.631 1.00 26.44 ? 63 ASP A O 1
1073
+ ATOM 316 C CB . ASP A 1 181 ? -6.606 30.541 16.983 1.00 38.62 ? 63 ASP A CB 1
1074
+ ATOM 317 C CG . ASP A 1 181 ? -5.189 31.062 17.143 1.00 45.61 ? 63 ASP A CG 1
1075
+ ATOM 318 O OD1 . ASP A 1 181 ? -4.394 30.909 16.191 1.00 43.17 ? 63 ASP A OD1 1
1076
+ ATOM 319 O OD2 . ASP A 1 181 ? -4.874 31.629 18.220 1.00 50.46 ? 63 ASP A OD2 1
1077
+ ATOM 320 N N . PRO A 1 182 ? -6.595 28.908 13.614 1.00 28.42 ? 64 PRO A N 1
1078
+ ATOM 321 C CA . PRO A 1 182 ? -6.255 27.624 12.995 1.00 26.91 ? 64 PRO A CA 1
1079
+ ATOM 322 C C . PRO A 1 182 ? -4.762 27.269 13.002 1.00 31.56 ? 64 PRO A C 1
1080
+ ATOM 323 O O . PRO A 1 182 ? -4.448 26.081 13.130 1.00 26.99 ? 64 PRO A O 1
1081
+ ATOM 324 C CB . PRO A 1 182 ? -6.759 27.793 11.561 1.00 24.97 ? 64 PRO A CB 1
1082
+ ATOM 325 C CG . PRO A 1 182 ? -6.680 29.269 11.302 1.00 22.59 ? 64 PRO A CG 1
1083
+ ATOM 326 C CD . PRO A 1 182 ? -7.011 29.915 12.617 1.00 32.51 ? 64 PRO A CD 1
1084
+ ATOM 327 N N . ALA A 1 183 ? -3.862 28.244 12.862 1.00 28.92 ? 65 ALA A N 1
1085
+ ATOM 328 C CA . ALA A 1 183 ? -2.420 27.935 12.875 1.00 29.91 ? 65 ALA A CA 1
1086
+ ATOM 329 C C . ALA A 1 183 ? -1.983 27.168 14.136 1.00 33.14 ? 65 ALA A C 1
1087
+ ATOM 330 O O . ALA A 1 183 ? -1.022 26.388 14.111 1.00 32.98 ? 65 ALA A O 1
1088
+ ATOM 331 C CB . ALA A 1 183 ? -1.597 29.197 12.705 1.00 20.67 ? 65 ALA A CB 1
1089
+ ATOM 332 N N . LEU A 1 184 ? -2.715 27.385 15.225 1.00 39.73 ? 66 LEU A N 1
1090
+ ATOM 333 C CA . LEU A 1 184 ? -2.452 26.726 16.498 1.00 38.19 ? 66 LEU A CA 1
1091
+ ATOM 334 C C . LEU A 1 184 ? -3.380 25.554 16.798 1.00 32.86 ? 66 LEU A C 1
1092
+ ATOM 335 O O . LEU A 1 184 ? -3.058 24.724 17.637 1.00 46.23 ? 66 LEU A O 1
1093
+ ATOM 336 C CB . LEU A 1 184 ? -2.520 27.740 17.648 1.00 39.98 ? 66 LEU A CB 1
1094
+ ATOM 337 C CG . LEU A 1 184 ? -1.218 28.533 17.777 1.00 45.92 ? 66 LEU A CG 1
1095
+ ATOM 338 C CD1 . LEU A 1 184 ? -1.352 29.724 18.730 1.00 47.47 ? 66 LEU A CD1 1
1096
+ ATOM 339 C CD2 . LEU A 1 184 ? -0.077 27.597 18.205 1.00 42.32 ? 66 LEU A CD2 1
1097
+ ATOM 340 N N . MET A 1 185 ? -4.531 25.487 16.139 1.00 27.58 ? 67 MET A N 1
1098
+ ATOM 341 C CA . MET A 1 185 ? -5.497 24.410 16.403 1.00 32.32 ? 67 MET A CA 1
1099
+ ATOM 342 C C . MET A 1 185 ? -5.182 23.127 15.619 1.00 27.68 ? 67 MET A C 1
1100
+ ATOM 343 O O . MET A 1 185 ? -5.263 22.024 16.163 1.00 31.82 ? 67 MET A O 1
1101
+ ATOM 344 C CB . MET A 1 185 ? -6.930 24.859 16.089 1.00 33.22 ? 67 MET A CB 1
1102
+ ATOM 345 C CG . MET A 1 185 ? -7.481 25.953 16.985 1.00 41.38 ? 67 MET A CG 1
1103
+ ATOM 346 S SD . MET A 1 185 ? -9.066 26.622 16.395 1.00 81.92 ? 67 MET A SD 1
1104
+ ATOM 347 C CE . MET A 1 185 ? -10.049 25.126 16.192 1.00 47.17 ? 67 MET A CE 1
1105
+ ATOM 348 N N . TYR A 1 186 ? -4.807 23.282 14.350 1.00 22.79 ? 68 TYR A N 1
1106
+ ATOM 349 C CA . TYR A 1 186 ? -4.637 22.147 13.451 1.00 22.39 ? 68 TYR A CA 1
1107
+ ATOM 350 C C . TYR A 1 186 ? -3.193 21.895 13.030 1.00 30.69 ? 68 TYR A C 1
1108
+ ATOM 351 O O . TYR A 1 186 ? -2.383 22.824 12.940 1.00 27.82 ? 68 TYR A O 1
1109
+ ATOM 352 C CB . TYR A 1 186 ? -5.465 22.371 12.201 1.00 25.89 ? 68 TYR A CB 1
1110
+ ATOM 353 C CG . TYR A 1 186 ? -6.872 22.816 12.484 1.00 30.12 ? 68 TYR A CG 1
1111
+ ATOM 354 C CD1 . TYR A 1 186 ? -7.858 21.895 12.808 1.00 31.27 ? 68 TYR A CD1 1
1112
+ ATOM 355 C CD2 . TYR A 1 186 ? -7.220 24.161 12.412 1.00 32.93 ? 68 TYR A CD2 1
1113
+ ATOM 356 C CE1 . TYR A 1 186 ? -9.152 22.299 13.068 1.00 41.89 ? 68 TYR A CE1 1
1114
+ ATOM 357 C CE2 . TYR A 1 186 ? -8.515 24.578 12.661 1.00 35.31 ? 68 TYR A CE2 1
1115
+ ATOM 358 C CZ . TYR A 1 186 ? -9.482 23.644 12.993 1.00 45.17 ? 68 TYR A CZ 1
1116
+ ATOM 359 O OH . TYR A 1 186 ? -10.781 24.044 13.247 1.00 51.74 ? 68 TYR A OH 1
1117
+ ATOM 360 N N . ASN A 1 187 ? -2.893 20.625 12.763 1.00 22.28 ? 69 ASN A N 1
1118
+ ATOM 361 C CA . ASN A 1 187 ? -1.605 20.206 12.236 1.00 24.49 ? 69 ASN A CA 1
1119
+ ATOM 362 C C . ASN A 1 187 ? -1.448 20.583 10.771 1.00 28.03 ? 69 ASN A C 1
1120
+ ATOM 363 O O . ASN A 1 187 ? -2.359 20.388 9.985 1.00 24.79 ? 69 ASN A O 1
1121
+ ATOM 364 C CB . ASN A 1 187 ? -1.435 18.694 12.373 1.00 23.32 ? 69 ASN A CB 1
1122
+ ATOM 365 C CG . ASN A 1 187 ? -1.369 18.230 13.822 1.00 28.83 ? 69 ASN A CG 1
1123
+ ATOM 366 O OD1 . ASN A 1 187 ? -1.256 19.033 14.757 1.00 33.42 ? 69 ASN A OD1 1
1124
+ ATOM 367 N ND2 . ASN A 1 187 ? -1.426 16.917 14.011 1.00 25.54 ? 69 ASN A ND2 1
1125
+ ATOM 368 N N . PRO A 1 188 ? -0.276 21.119 10.401 1.00 29.38 ? 70 PRO A N 1
1126
+ ATOM 369 C CA . PRO A 1 188 ? -0.004 21.532 9.015 1.00 23.37 ? 70 PRO A CA 1
1127
+ ATOM 370 C C . PRO A 1 188 ? 0.347 20.317 8.173 1.00 24.45 ? 70 PRO A C 1
1128
+ ATOM 371 O O . PRO A 1 188 ? 0.689 19.284 8.733 1.00 20.81 ? 70 PRO A O 1
1129
+ ATOM 372 C CB . PRO A 1 188 ? 1.238 22.398 9.166 1.00 29.33 ? 70 PRO A CB 1
1130
+ ATOM 373 C CG . PRO A 1 188 ? 1.967 21.774 10.365 1.00 28.90 ? 70 PRO A CG 1
1131
+ ATOM 374 C CD . PRO A 1 188 ? 0.878 21.330 11.292 1.00 29.07 ? 70 PRO A CD 1
1132
+ ATOM 375 N N . CYS A 1 189 ? 0.267 20.401 6.855 1.00 18.27 ? 71 CYS A N 1
1133
+ ATOM 376 C CA . CYS A 1 189 ? 0.821 19.279 6.103 1.00 23.66 ? 71 CYS A CA 1
1134
+ ATOM 377 C C . CYS A 1 189 ? 2.362 19.421 5.975 1.00 41.37 ? 71 CYS A C 1
1135
+ ATOM 378 O O . CYS A 1 189 ? 2.953 20.438 6.367 1.00 35.74 ? 71 CYS A O 1
1136
+ ATOM 379 C CB . CYS A 1 189 ? 0.117 19.056 4.757 1.00 29.99 ? 71 CYS A CB 1
1137
+ ATOM 380 S SG . CYS A 1 189 ? 0.124 20.436 3.611 1.00 85.07 ? 71 CYS A SG 1
1138
+ ATOM 381 N N . GLY A 1 190 ? 3.003 18.384 5.461 1.00 37.18 ? 72 GLY A N 1
1139
+ ATOM 382 C CA . GLY A 1 190 ? 4.448 18.334 5.383 1.00 35.37 ? 72 GLY A CA 1
1140
+ ATOM 383 C C . GLY A 1 190 ? 4.809 17.037 4.695 1.00 37.97 ? 72 GLY A C 1
1141
+ ATOM 384 O O . GLY A 1 190 ? 3.901 16.272 4.357 1.00 19.71 ? 72 GLY A O 1
1142
+ ATOM 385 N N . PRO A 1 191 ? 6.116 16.790 4.463 1.00 37.05 ? 73 PRO A N 1
1143
+ ATOM 386 C CA . PRO A 1 191 ? 7.248 17.664 4.800 1.00 30.77 ? 73 PRO A CA 1
1144
+ ATOM 387 C C . PRO A 1 191 ? 7.294 18.892 3.896 1.00 31.21 ? 73 PRO A C 1
1145
+ ATOM 388 O O . PRO A 1 191 ? 6.754 18.911 2.774 1.00 25.26 ? 73 PRO A O 1
1146
+ ATOM 389 C CB . PRO A 1 191 ? 8.449 16.790 4.493 1.00 38.48 ? 73 PRO A CB 1
1147
+ ATOM 390 C CG . PRO A 1 191 ? 7.991 15.993 3.319 1.00 42.03 ? 73 PRO A CG 1
1148
+ ATOM 391 C CD . PRO A 1 191 ? 6.559 15.638 3.660 1.00 39.48 ? 73 PRO A CD 1
1149
+ ATOM 392 N N . GLU A 1 192 ? 7.938 19.937 4.388 1.00 27.24 ? 74 GLU A N 1
1150
+ ATOM 393 C CA . GLU A 1 192 ? 7.899 21.198 3.675 1.00 27.36 ? 74 GLU A CA 1
1151
+ ATOM 394 C C . GLU A 1 192 ? 8.838 21.209 2.475 1.00 18.46 ? 74 GLU A C 1
1152
+ ATOM 395 O O . GLU A 1 192 ? 9.878 20.550 2.503 1.00 22.86 ? 74 GLU A O 1
1153
+ ATOM 396 C CB . GLU A 1 192 ? 8.191 22.353 4.631 1.00 22.73 ? 74 GLU A CB 1
1154
+ ATOM 397 C CG . GLU A 1 192 ? 7.070 22.556 5.648 1.00 37.67 ? 74 GLU A CG 1
1155
+ ATOM 398 C CD . GLU A 1 192 ? 7.146 23.895 6.356 1.00 49.81 ? 74 GLU A CD 1
1156
+ ATOM 399 O OE1 . GLU A 1 192 ? 8.240 24.506 6.384 1.00 61.80 ? 74 GLU A OE1 1
1157
+ ATOM 400 O OE2 . GLU A 1 192 ? 6.107 24.342 6.882 1.00 47.57 ? 74 GLU A OE2 1
1158
+ ATOM 401 N N . PRO A 1 193 ? 8.456 21.950 1.418 1.00 16.78 ? 75 PRO A N 1
1159
+ ATOM 402 C CA . PRO A 1 193 ? 9.379 22.222 0.305 1.00 16.67 ? 75 PRO A CA 1
1160
+ ATOM 403 C C . PRO A 1 193 ? 10.530 23.110 0.775 1.00 31.20 ? 75 PRO A C 1
1161
+ ATOM 404 O O . PRO A 1 193 ? 10.516 23.521 1.940 1.00 26.17 ? 75 PRO A O 1
1162
+ ATOM 405 C CB . PRO A 1 193 ? 8.498 22.919 -0.743 1.00 17.10 ? 75 PRO A CB 1
1163
+ ATOM 406 C CG . PRO A 1 193 ? 7.151 23.150 -0.072 1.00 18.86 ? 75 PRO A CG 1
1164
+ ATOM 407 C CD . PRO A 1 193 ? 7.052 22.301 1.114 1.00 16.08 ? 75 PRO A CD 1
1165
+ ATOM 408 N N . PRO A 1 194 ? 11.538 23.369 -0.082 1.00 33.23 ? 76 PRO A N 1
1166
+ ATOM 409 C CA . PRO A 1 194 ? 12.640 24.202 0.428 1.00 37.84 ? 76 PRO A CA 1
1167
+ ATOM 410 C C . PRO A 1 194 ? 12.170 25.606 0.827 1.00 33.15 ? 76 PRO A C 1
1168
+ ATOM 411 O O . PRO A 1 194 ? 11.171 26.100 0.306 1.00 26.08 ? 76 PRO A O 1
1169
+ ATOM 412 C CB . PRO A 1 194 ? 13.639 24.249 -0.742 1.00 34.73 ? 76 PRO A CB 1
1170
+ ATOM 413 C CG . PRO A 1 194 ? 12.942 23.663 -1.901 1.00 31.80 ? 76 PRO A CG 1
1171
+ ATOM 414 C CD . PRO A 1 194 ? 11.859 22.774 -1.387 1.00 29.67 ? 76 PRO A CD 1
1172
+ ATOM 415 N N . ALA A 1 195 ? 12.874 26.213 1.775 1.00 31.47 ? 77 ALA A N 1
1173
+ ATOM 416 C CA . ALA A 1 195 ? 12.432 27.464 2.377 1.00 32.02 ? 77 ALA A CA 1
1174
+ ATOM 417 C C . ALA A 1 195 ? 12.193 28.568 1.352 1.00 30.32 ? 77 ALA A C 1
1175
+ ATOM 418 O O . ALA A 1 195 ? 11.130 29.186 1.348 1.00 30.62 ? 77 ALA A O 1
1176
+ ATOM 419 C CB . ALA A 1 195 ? 13.427 27.931 3.448 1.00 35.18 ? 77 ALA A CB 1
1177
+ ATOM 420 N N . HIS A 1 196 ? 13.167 28.786 0.475 1.00 27.35 ? 78 HIS A N 1
1178
+ ATOM 421 C CA . HIS A 1 196 ? 13.143 29.927 -0.436 1.00 26.63 ? 78 HIS A CA 1
1179
+ ATOM 422 C C . HIS A 1 196 ? 12.063 29.753 -1.492 1.00 25.18 ? 78 HIS A C 1
1180
+ ATOM 423 O O . HIS A 1 196 ? 11.512 30.721 -1.984 1.00 23.37 ? 78 HIS A O 1
1181
+ ATOM 424 C CB . HIS A 1 196 ? 14.519 30.127 -1.097 1.00 28.64 ? 78 HIS A CB 1
1182
+ ATOM 425 C CG . HIS A 1 196 ? 14.858 29.073 -2.102 1.00 30.52 ? 78 HIS A CG 1
1183
+ ATOM 426 N ND1 . HIS A 1 196 ? 14.847 29.310 -3.458 1.00 27.56 ? 78 HIS A ND1 1
1184
+ ATOM 427 C CD2 . HIS A 1 196 ? 15.177 27.765 -1.952 1.00 37.08 ? 78 HIS A CD2 1
1185
+ ATOM 428 C CE1 . HIS A 1 196 ? 15.150 28.195 -4.101 1.00 26.74 ? 78 HIS A CE1 1
1186
+ ATOM 429 N NE2 . HIS A 1 196 ? 15.362 27.244 -3.209 1.00 32.39 ? 78 HIS A NE2 1
1187
+ ATOM 430 N N . VAL A 1 197 ? 11.766 28.510 -1.842 1.00 27.19 ? 79 VAL A N 1
1188
+ ATOM 431 C CA . VAL A 1 197 ? 10.677 28.242 -2.772 1.00 28.54 ? 79 VAL A CA 1
1189
+ ATOM 432 C C . VAL A 1 197 ? 9.332 28.649 -2.177 1.00 26.01 ? 79 VAL A C 1
1190
+ ATOM 433 O O . VAL A 1 197 ? 8.509 29.266 -2.846 1.00 23.77 ? 79 VAL A O 1
1191
+ ATOM 434 C CB . VAL A 1 197 ? 10.640 26.766 -3.143 1.00 25.37 ? 79 VAL A CB 1
1192
+ ATOM 435 C CG1 . VAL A 1 197 ? 9.355 26.433 -3.882 1.00 15.15 ? 79 VAL A CG1 1
1193
+ ATOM 436 C CG2 . VAL A 1 197 ? 11.881 26.430 -3.968 1.00 30.30 ? 79 VAL A CG2 1
1194
+ ATOM 437 N N . VAL A 1 198 ? 9.129 28.311 -0.909 1.00 26.99 ? 80 VAL A N 1
1195
+ ATOM 438 C CA . VAL A 1 198 ? 7.902 28.653 -0.198 1.00 22.84 ? 80 VAL A CA 1
1196
+ ATOM 439 C C . VAL A 1 198 ? 7.739 30.173 -0.032 1.00 26.80 ? 80 VAL A C 1
1197
+ ATOM 440 O O . VAL A 1 198 ? 6.640 30.708 -0.200 1.00 15.52 ? 80 VAL A O 1
1198
+ ATOM 441 C CB . VAL A 1 198 ? 7.868 27.981 1.179 1.00 15.81 ? 80 VAL A CB 1
1199
+ ATOM 442 C CG1 . VAL A 1 198 ? 6.647 28.434 1.971 1.00 20.73 ? 80 VAL A CG1 1
1200
+ ATOM 443 C CG2 . VAL A 1 198 ? 7.893 26.478 1.023 1.00 15.70 ? 80 VAL A CG2 1
1201
+ ATOM 444 N N . ARG A 1 199 ? 8.831 30.865 0.288 1.00 22.83 ? 81 ARG A N 1
1202
+ ATOM 445 C CA . ARG A 1 199 ? 8.791 32.314 0.468 1.00 22.28 ? 81 ARG A CA 1
1203
+ ATOM 446 C C . ARG A 1 199 ? 8.440 32.992 -0.852 1.00 33.29 ? 81 ARG A C 1
1204
+ ATOM 447 O O . ARG A 1 199 ? 7.720 34.000 -0.883 1.00 38.22 ? 81 ARG A O 1
1205
+ ATOM 448 C CB . ARG A 1 199 ? 10.127 32.839 0.968 1.00 29.03 ? 81 ARG A CB 1
1206
+ ATOM 449 C CG . ARG A 1 199 ? 10.537 32.315 2.332 1.00 50.21 ? 81 ARG A CG 1
1207
+ ATOM 450 C CD . ARG A 1 199 ? 11.918 32.841 2.731 1.00 59.37 ? 81 ARG A CD 1
1208
+ ATOM 451 N NE . ARG A 1 199 ? 11.918 34.292 2.889 1.00 60.87 ? 81 ARG A NE 1
1209
+ ATOM 452 C CZ . ARG A 1 199 ? 11.408 34.931 3.936 1.00 66.34 ? 81 ARG A CZ 1
1210
+ ATOM 453 N NH1 . ARG A 1 199 ? 10.844 34.247 4.926 1.00 69.67 ? 81 ARG A NH1 1
1211
+ ATOM 454 N NH2 . ARG A 1 199 ? 11.452 36.255 3.993 1.00 69.57 ? 81 ARG A NH2 1
1212
+ ATOM 455 N N . ALA A 1 200 ? 8.950 32.425 -1.942 1.00 26.22 ? 82 ALA A N 1
1213
+ ATOM 456 C CA . ALA A 1 200 ? 8.715 32.989 -3.256 1.00 27.53 ? 82 ALA A CA 1
1214
+ ATOM 457 C C . ALA A 1 200 ? 7.263 32.759 -3.668 1.00 22.09 ? 82 ALA A C 1
1215
+ ATOM 458 O O . ALA A 1 200 ? 6.605 33.675 -4.124 1.00 17.89 ? 82 ALA A O 1
1216
+ ATOM 459 C CB . ALA A 1 200 ? 9.677 32.397 -4.283 1.00 23.18 ? 82 ALA A CB 1
1217
+ ATOM 460 N N . TYR A 1 201 ? 6.757 31.543 -3.507 1.00 22.88 ? 83 TYR A N 1
1218
+ ATOM 461 C CA . TYR A 1 201 ? 5.363 31.319 -3.846 1.00 19.55 ? 83 TYR A CA 1
1219
+ ATOM 462 C C . TYR A 1 201 ? 4.428 32.193 -3.025 1.00 22.15 ? 83 TYR A C 1
1220
+ ATOM 463 O O . TYR A 1 201 ? 3.448 32.703 -3.555 1.00 28.09 ? 83 TYR A O 1
1221
+ ATOM 464 C CB . TYR A 1 201 ? 4.933 29.858 -3.721 1.00 18.60 ? 83 TYR A CB 1
1222
+ ATOM 465 C CG . TYR A 1 201 ? 3.554 29.670 -4.310 1.00 22.22 ? 83 TYR A CG 1
1223
+ ATOM 466 C CD1 . TYR A 1 201 ? 3.377 29.655 -5.682 1.00 22.67 ? 83 TYR A CD1 1
1224
+ ATOM 467 C CD2 . TYR A 1 201 ? 2.431 29.569 -3.503 1.00 17.71 ? 83 TYR A CD2 1
1225
+ ATOM 468 C CE1 . TYR A 1 201 ? 2.133 29.520 -6.233 1.00 24.32 ? 83 TYR A CE1 1
1226
+ ATOM 469 C CE2 . TYR A 1 201 ? 1.170 29.423 -4.050 1.00 22.67 ? 83 TYR A CE2 1
1227
+ ATOM 470 C CZ . TYR A 1 201 ? 1.024 29.398 -5.420 1.00 26.42 ? 83 TYR A CZ 1
1228
+ ATOM 471 O OH . TYR A 1 201 ? -0.227 29.256 -6.002 1.00 23.84 ? 83 TYR A OH 1
1229
+ ATOM 472 N N . ASN A 1 202 ? 4.728 32.360 -1.742 1.00 22.40 ? 84 ASN A N 1
1230
+ ATOM 473 C CA . ASN A 1 202 ? 3.849 33.120 -0.836 1.00 23.89 ? 84 ASN A CA 1
1231
+ ATOM 474 C C . ASN A 1 202 ? 4.123 34.616 -0.762 1.00 30.96 ? 84 ASN A C 1
1232
+ ATOM 475 O O . ASN A 1 202 ? 3.534 35.324 0.055 1.00 42.51 ? 84 ASN A O 1
1233
+ ATOM 476 C CB . ASN A 1 202 ? 3.848 32.517 0.570 1.00 18.16 ? 84 ASN A CB 1
1234
+ ATOM 477 C CG . ASN A 1 202 ? 3.062 31.240 0.630 1.00 25.37 ? 84 ASN A CG 1
1235
+ ATOM 478 O OD1 . ASN A 1 202 ? 2.352 30.924 -0.315 1.00 32.28 ? 84 ASN A OD1 1
1236
+ ATOM 479 N ND2 . ASN A 1 202 ? 3.167 30.505 1.739 1.00 24.26 ? 84 ASN A ND2 1
1237
+ ATOM 480 N N . GLN A 1 203 ? 5.021 35.084 -1.619 1.00 30.30 ? 85 GLN A N 1
1238
+ ATOM 481 C CA . GLN A 1 203 ? 5.365 36.490 -1.708 1.00 40.32 ? 85 GLN A CA 1
1239
+ ATOM 482 C C . GLN A 1 203 ? 4.166 37.275 -2.221 1.00 46.52 ? 85 GLN A C 1
1240
+ ATOM 483 O O . GLN A 1 203 ? 3.404 36.774 -3.048 1.00 50.61 ? 85 GLN A O 1
1241
+ ATOM 484 C CB . GLN A 1 203 ? 6.532 36.652 -2.682 1.00 49.96 ? 85 GLN A CB 1
1242
+ ATOM 485 C CG . GLN A 1 203 ? 7.100 38.046 -2.790 1.00 56.12 ? 85 GLN A CG 1
1243
+ ATOM 486 C CD . GLN A 1 203 ? 8.285 38.251 -1.879 1.00 57.56 ? 85 GLN A CD 1
1244
+ ATOM 487 O OE1 . GLN A 1 203 ? 8.608 37.390 -1.060 1.00 58.72 ? 85 GLN A OE1 1
1245
+ ATOM 488 N NE2 . GLN A 1 203 ? 8.948 39.394 -2.023 1.00 53.47 ? 85 GLN A NE2 1
1246
+ ATOM 489 N N . PRO A 1 204 ? 3.959 38.496 -1.702 1.00 51.22 ? 86 PRO A N 1
1247
+ ATOM 490 C CA . PRO A 1 204 ? 3.085 39.404 -2.459 1.00 51.91 ? 86 PRO A CA 1
1248
+ ATOM 491 C C . PRO A 1 204 ? 3.845 39.970 -3.681 1.00 49.42 ? 86 PRO A C 1
1249
+ ATOM 492 O O . PRO A 1 204 ? 5.062 40.129 -3.596 1.00 45.70 ? 86 PRO A O 1
1250
+ ATOM 493 C CB . PRO A 1 204 ? 2.739 40.494 -1.436 1.00 54.38 ? 86 PRO A CB 1
1251
+ ATOM 494 C CG . PRO A 1 204 ? 3.826 40.403 -0.371 1.00 45.81 ? 86 PRO A CG 1
1252
+ ATOM 495 C CD . PRO A 1 204 ? 4.224 38.967 -0.324 1.00 42.87 ? 86 PRO A CD 1
1253
+ ATOM 496 N N . ALA A 1 205 ? 3.172 40.239 -4.801 1.00 60.37 ? 87 ALA A N 1
1254
+ ATOM 497 C CA . ALA A 1 205 ? 3.885 40.774 -5.980 1.00 72.65 ? 87 ALA A CA 1
1255
+ ATOM 498 C C . ALA A 1 205 ? 3.083 41.721 -6.887 1.00 79.27 ? 87 ALA A C 1
1256
+ ATOM 499 O O . ALA A 1 205 ? 3.659 42.431 -7.727 1.00 71.82 ? 87 ALA A O 1
1257
+ ATOM 500 C CB . ALA A 1 205 ? 4.500 39.649 -6.795 1.00 69.68 ? 87 ALA A CB 1
1258
+ ATOM 501 N N . GLY A 1 206 ? 1.760 41.708 -6.731 1.00 87.60 ? 88 GLY A N 1
1259
+ ATOM 502 C CA . GLY A 1 206 ? 0.889 42.701 -7.351 1.00 89.13 ? 88 GLY A CA 1
1260
+ ATOM 503 C C . GLY A 1 206 ? 0.832 42.820 -8.868 1.00 84.27 ? 88 GLY A C 1
1261
+ ATOM 504 O O . GLY A 1 206 ? -0.195 42.513 -9.474 1.00 87.21 ? 88 GLY A O 1
1262
+ ATOM 505 N N . ASP A 1 207 ? 1.921 43.280 -9.483 1.00 77.42 ? 89 ASP A N 1
1263
+ ATOM 506 C CA . ASP A 1 207 ? 1.921 43.628 -10.910 1.00 72.68 ? 89 ASP A CA 1
1264
+ ATOM 507 C C . ASP A 1 207 ? 1.679 42.449 -11.868 1.00 59.84 ? 89 ASP A C 1
1265
+ ATOM 508 O O . ASP A 1 207 ? 2.622 41.747 -12.239 1.00 65.65 ? 89 ASP A O 1
1266
+ ATOM 509 C CB . ASP A 1 207 ? 3.231 44.336 -11.291 1.00 81.57 ? 89 ASP A CB 1
1267
+ ATOM 510 C CG . ASP A 1 207 ? 3.418 45.673 -10.577 1.00 90.97 ? 89 ASP A CG 1
1268
+ ATOM 511 O OD1 . ASP A 1 207 ? 2.406 46.355 -10.299 1.00 94.70 ? 89 ASP A OD1 1
1269
+ ATOM 512 O OD2 . ASP A 1 207 ? 4.585 46.042 -10.301 1.00 89.94 ? 89 ASP A OD2 1
1270
+ ATOM 513 N N . VAL A 1 208 ? 0.423 42.232 -12.257 1.00 40.22 ? 90 VAL A N 1
1271
+ ATOM 514 C CA . VAL A 1 208 ? 0.108 41.286 -13.325 1.00 32.47 ? 90 VAL A CA 1
1272
+ ATOM 515 C C . VAL A 1 208 ? 0.784 41.731 -14.621 1.00 28.21 ? 90 VAL A C 1
1273
+ ATOM 516 O O . VAL A 1 208 ? 0.393 42.720 -15.216 1.00 28.56 ? 90 VAL A O 1
1274
+ ATOM 517 C CB . VAL A 1 208 ? -1.409 41.187 -13.577 1.00 31.50 ? 90 VAL A CB 1
1275
+ ATOM 518 C CG1 . VAL A 1 208 ? -1.688 40.302 -14.800 1.00 30.55 ? 90 VAL A CG1 1
1276
+ ATOM 519 C CG2 . VAL A 1 208 ? -2.106 40.637 -12.359 1.00 33.74 ? 90 VAL A CG2 1
1277
+ ATOM 520 N N . ARG A 1 209 ? 1.798 41.009 -15.076 1.00 30.94 ? 91 ARG A N 1
1278
+ ATOM 521 C CA . ARG A 1 209 ? 2.560 41.490 -16.221 1.00 37.82 ? 91 ARG A CA 1
1279
+ ATOM 522 C C . ARG A 1 209 ? 2.322 40.700 -17.510 1.00 40.17 ? 91 ARG A C 1
1280
+ ATOM 523 O O . ARG A 1 209 ? 2.746 41.129 -18.582 1.00 43.80 ? 91 ARG A O 1
1281
+ ATOM 524 C CB . ARG A 1 209 ? 4.050 41.628 -15.864 1.00 45.86 ? 91 ARG A CB 1
1282
+ ATOM 525 C CG . ARG A 1 209 ? 4.276 42.709 -14.789 1.00 56.66 ? 91 ARG A CG 1
1283
+ ATOM 526 C CD . ARG A 1 209 ? 5.705 42.773 -14.257 1.00 70.29 ? 91 ARG A CD 1
1284
+ ATOM 527 N NE . ARG A 1 209 ? 6.670 43.150 -15.288 1.00 81.36 ? 91 ARG A NE 1
1285
+ ATOM 528 C CZ . ARG A 1 209 ? 7.948 43.448 -15.060 1.00 80.11 ? 91 ARG A CZ 1
1286
+ ATOM 529 N NH1 . ARG A 1 209 ? 8.432 43.427 -13.825 1.00 78.56 ? 91 ARG A NH1 1
1287
+ ATOM 530 N NH2 . ARG A 1 209 ? 8.742 43.776 -16.069 1.00 82.36 ? 91 ARG A NH2 1
1288
+ ATOM 531 N N . GLY A 1 210 ? 1.625 39.568 -17.415 1.00 29.87 ? 92 GLY A N 1
1289
+ ATOM 532 C CA . GLY A 1 210 ? 1.238 38.830 -18.607 1.00 29.89 ? 92 GLY A CA 1
1290
+ ATOM 533 C C . GLY A 1 210 ? 0.039 37.910 -18.418 1.00 33.18 ? 92 GLY A C 1
1291
+ ATOM 534 O O . GLY A 1 210 ? -0.272 37.493 -17.283 1.00 28.09 ? 92 GLY A O 1
1292
+ ATOM 535 N N . VAL A 1 211 ? -0.634 37.592 -19.525 1.00 26.63 ? 93 VAL A N 1
1293
+ ATOM 536 C CA . VAL A 1 211 ? -1.730 36.618 -19.514 1.00 34.76 ? 93 VAL A CA 1
1294
+ ATOM 537 C C . VAL A 1 211 ? -1.424 35.393 -20.401 1.00 29.67 ? 93 VAL A C 1
1295
+ ATOM 538 O O . VAL A 1 211 ? -1.218 35.518 -21.617 1.00 27.47 ? 93 VAL A O 1
1296
+ ATOM 539 C CB . VAL A 1 211 ? -3.093 37.264 -19.897 1.00 38.98 ? 93 VAL A CB 1
1297
+ ATOM 540 C CG1 . VAL A 1 211 ? -4.197 36.215 -20.007 1.00 36.51 ? 93 VAL A CG1 1
1298
+ ATOM 541 C CG2 . VAL A 1 211 ? -3.471 38.287 -18.867 1.00 38.93 ? 93 VAL A CG2 1
1299
+ ATOM 542 N N . TRP A 1 212 ? -1.390 34.215 -19.778 1.00 26.88 ? 94 TRP A N 1
1300
+ ATOM 543 C CA . TRP A 1 212 ? -1.064 32.982 -20.491 1.00 26.74 ? 94 TRP A CA 1
1301
+ ATOM 544 C C . TRP A 1 212 ? -2.252 32.051 -20.680 1.00 31.21 ? 94 TRP A C 1
1302
+ ATOM 545 O O . TRP A 1 212 ? -3.209 32.055 -19.902 1.00 34.30 ? 94 TRP A O 1
1303
+ ATOM 546 C CB . TRP A 1 212 ? 0.036 32.216 -19.778 1.00 28.56 ? 94 TRP A CB 1
1304
+ ATOM 547 C CG . TRP A 1 212 ? 1.300 32.969 -19.565 1.00 24.51 ? 94 TRP A CG 1
1305
+ ATOM 548 C CD1 . TRP A 1 212 ? 1.435 34.202 -18.996 1.00 23.05 ? 94 TRP A CD1 1
1306
+ ATOM 549 C CD2 . TRP A 1 212 ? 2.625 32.508 -19.858 1.00 25.16 ? 94 TRP A CD2 1
1307
+ ATOM 550 N NE1 . TRP A 1 212 ? 2.763 34.550 -18.943 1.00 29.85 ? 94 TRP A NE1 1
1308
+ ATOM 551 C CE2 . TRP A 1 212 ? 3.517 33.528 -19.462 1.00 27.86 ? 94 TRP A CE2 1
1309
+ ATOM 552 C CE3 . TRP A 1 212 ? 3.146 31.340 -20.441 1.00 25.58 ? 94 TRP A CE3 1
1310
+ ATOM 553 C CZ2 . TRP A 1 212 ? 4.912 33.418 -19.620 1.00 28.86 ? 94 TRP A CZ2 1
1311
+ ATOM 554 C CZ3 . TRP A 1 212 ? 4.537 31.232 -20.603 1.00 25.43 ? 94 TRP A CZ3 1
1312
+ ATOM 555 C CH2 . TRP A 1 212 ? 5.399 32.262 -20.183 1.00 22.24 ? 94 TRP A CH2 1
1313
+ ATOM 556 N N . GLY A 1 213 ? -2.187 31.255 -21.741 1.00 30.95 ? 95 GLY A N 1
1314
+ ATOM 557 C CA . GLY A 1 213 ? -3.201 30.255 -21.978 1.00 40.18 ? 95 GLY A CA 1
1315
+ ATOM 558 C C . GLY A 1 213 ? -4.409 30.847 -22.657 1.00 49.18 ? 95 GLY A C 1
1316
+ ATOM 559 O O . GLY A 1 213 ? -4.499 32.058 -22.831 1.00 56.99 ? 95 GLY A O 1
1317
+ ATOM 560 N N . LYS A 1 214 ? -5.350 29.986 -23.026 1.00 58.13 ? 96 LYS A N 1
1318
+ ATOM 561 C CA . LYS A 1 214 ? -6.468 30.396 -23.864 1.00 67.41 ? 96 LYS A CA 1
1319
+ ATOM 562 C C . LYS A 1 214 ? -7.824 30.030 -23.258 1.00 67.51 ? 96 LYS A C 1
1320
+ ATOM 563 O O . LYS A 1 214 ? -7.912 29.193 -22.354 1.00 62.03 ? 96 LYS A O 1
1321
+ ATOM 564 C CB . LYS A 1 214 ? -6.330 29.764 -25.254 1.00 69.67 ? 96 LYS A CB 1
1322
+ ATOM 565 C CG . LYS A 1 214 ? -7.190 28.519 -25.473 1.00 76.06 ? 96 LYS A CG 1
1323
+ ATOM 566 C CD . LYS A 1 214 ? -8.399 28.829 -26.366 1.00 81.45 ? 96 LYS A CD 1
1324
+ ATOM 567 C CE . LYS A 1 214 ? -9.344 27.641 -26.484 1.00 80.52 ? 96 LYS A CE 1
1325
+ ATOM 568 N NZ . LYS A 1 214 ? -10.219 27.767 -27.682 1.00 83.70 ? 96 LYS A NZ 1
1326
+ ATOM 569 N N . GLY A 1 215 ? -8.870 30.681 -23.766 1.00 66.65 ? 97 GLY A N 1
1327
+ ATOM 570 C CA . GLY A 1 215 ? -10.246 30.316 -23.481 1.00 61.00 ? 97 GLY A CA 1
1328
+ ATOM 571 C C . GLY A 1 215 ? -10.607 30.245 -22.017 1.00 60.74 ? 97 GLY A C 1
1329
+ ATOM 572 O O . GLY A 1 215 ? -10.739 31.272 -21.348 1.00 62.72 ? 97 GLY A O 1
1330
+ ATOM 573 N N . GLU A 1 216 ? -10.760 29.023 -21.518 1.00 64.44 ? 98 GLU A N 1
1331
+ ATOM 574 C CA . GLU A 1 216 ? -11.220 28.799 -20.150 1.00 65.77 ? 98 GLU A CA 1
1332
+ ATOM 575 C C . GLU A 1 216 ? -10.083 28.475 -19.182 1.00 58.97 ? 98 GLU A C 1
1333
+ ATOM 576 O O . GLU A 1 216 ? -10.275 28.514 -17.971 1.00 52.95 ? 98 GLU A O 1
1334
+ ATOM 577 C CB . GLU A 1 216 ? -12.290 27.699 -20.118 1.00 69.99 ? 98 GLU A CB 1
1335
+ ATOM 578 C CG . GLU A 1 216 ? -13.474 27.959 -21.058 1.00 68.73 ? 98 GLU A CG 1
1336
+ ATOM 579 C CD . GLU A 1 216 ? -14.109 29.329 -20.842 1.00 64.37 ? 98 GLU A CD 1
1337
+ ATOM 580 O OE1 . GLU A 1 216 ? -14.601 29.586 -19.722 1.00 55.39 ? 98 GLU A OE1 1
1338
+ ATOM 581 O OE2 . GLU A 1 216 ? -14.116 30.147 -21.792 1.00 67.00 ? 98 GLU A OE2 1
1339
+ ATOM 582 N N . ARG A 1 217 ? -8.907 28.156 -19.720 1.00 57.20 ? 99 ARG A N 1
1340
+ ATOM 583 C CA . ARG A 1 217 ? -7.734 27.893 -18.890 1.00 60.69 ? 99 ARG A CA 1
1341
+ ATOM 584 C C . ARG A 1 217 ? -6.711 29.015 -19.040 1.00 51.61 ? 99 ARG A C 1
1342
+ ATOM 585 O O . ARG A 1 217 ? -5.682 28.863 -19.704 1.00 47.11 ? 99 ARG A O 1
1343
+ ATOM 586 C CB . ARG A 1 217 ? -7.098 26.544 -19.243 1.00 71.69 ? 99 ARG A CB 1
1344
+ ATOM 587 C CG . ARG A 1 217 ? -7.816 25.339 -18.661 1.00 74.49 ? 99 ARG A CG 1
1345
+ ATOM 588 C CD . ARG A 1 217 ? -7.817 25.393 -17.150 1.00 77.80 ? 99 ARG A CD 1
1346
+ ATOM 589 N NE . ARG A 1 217 ? -8.696 24.387 -16.560 1.00 86.36 ? 99 ARG A NE 1
1347
+ ATOM 590 C CZ . ARG A 1 217 ? -8.876 24.237 -15.250 1.00 92.16 ? 99 ARG A CZ 1
1348
+ ATOM 591 N NH1 . ARG A 1 217 ? -8.229 25.030 -14.405 1.00 92.91 ? 99 ARG A NH1 1
1349
+ ATOM 592 N NH2 . ARG A 1 217 ? -9.693 23.297 -14.779 1.00 91.33 ? 99 ARG A NH2 1
1350
+ ATOM 593 N N . THR A 1 218 ? -6.994 30.143 -18.411 1.00 40.23 ? 100 THR A N 1
1351
+ ATOM 594 C CA . THR A 1 218 ? -6.186 31.332 -18.616 1.00 36.41 ? 100 THR A CA 1
1352
+ ATOM 595 C C . THR A 1 218 ? -5.398 31.632 -17.326 1.00 32.54 ? 100 THR A C 1
1353
+ ATOM 596 O O . THR A 1 218 ? -5.889 31.372 -16.237 1.00 32.00 ? 100 THR A O 1
1354
+ ATOM 597 C CB . THR A 1 218 ? -7.106 32.473 -19.101 1.00 40.48 ? 100 THR A CB 1
1355
+ ATOM 598 O OG1 . THR A 1 218 ? -6.573 33.059 -20.295 1.00 50.64 ? 100 THR A OG1 1
1356
+ ATOM 599 C CG2 . THR A 1 218 ? -7.327 33.516 -18.044 1.00 26.60 ? 100 THR A CG2 1
1357
+ ATOM 600 N N . TYR A 1 219 ? -4.156 32.106 -17.443 1.00 30.28 ? 101 TYR A N 1
1358
+ ATOM 601 C CA . TYR A 1 219 ? -3.314 32.331 -16.253 1.00 29.92 ? 101 TYR A CA 1
1359
+ ATOM 602 C C . TYR A 1 219 ? -2.719 33.733 -16.202 1.00 33.11 ? 101 TYR A C 1
1360
+ ATOM 603 O O . TYR A 1 219 ? -2.270 34.263 -17.224 1.00 32.90 ? 101 TYR A O 1
1361
+ ATOM 604 C CB . TYR A 1 219 ? -2.169 31.301 -16.150 1.00 31.54 ? 101 TYR A CB 1
1362
+ ATOM 605 C CG . TYR A 1 219 ? -2.635 29.875 -15.934 1.00 20.38 ? 101 TYR A CG 1
1363
+ ATOM 606 C CD1 . TYR A 1 219 ? -3.034 29.095 -17.011 1.00 21.63 ? 101 TYR A CD1 1
1364
+ ATOM 607 C CD2 . TYR A 1 219 ? -2.682 29.312 -14.657 1.00 19.35 ? 101 TYR A CD2 1
1365
+ ATOM 608 C CE1 . TYR A 1 219 ? -3.471 27.789 -16.836 1.00 22.26 ? 101 TYR A CE1 1
1366
+ ATOM 609 C CE2 . TYR A 1 219 ? -3.125 27.999 -14.467 1.00 22.28 ? 101 TYR A CE2 1
1367
+ ATOM 610 C CZ . TYR A 1 219 ? -3.524 27.247 -15.570 1.00 25.72 ? 101 TYR A CZ 1
1368
+ ATOM 611 O OH . TYR A 1 219 ? -3.967 25.946 -15.434 1.00 34.54 ? 101 TYR A OH 1
1369
+ ATOM 612 N N . ALA A 1 220 ? -2.692 34.325 -15.011 1.00 21.57 ? 102 ALA A N 1
1370
+ ATOM 613 C CA . ALA A 1 220 ? -2.051 35.616 -14.842 1.00 26.25 ? 102 ALA A CA 1
1371
+ ATOM 614 C C . ALA A 1 220 ? -0.624 35.378 -14.406 1.00 20.93 ? 102 ALA A C 1
1372
+ ATOM 615 O O . ALA A 1 220 ? -0.373 34.600 -13.493 1.00 28.36 ? 102 ALA A O 1
1373
+ ATOM 616 C CB . ALA A 1 220 ? -2.787 36.470 -13.814 1.00 22.13 ? 102 ALA A CB 1
1374
+ ATOM 617 N N . GLU A 1 221 ? 0.317 36.031 -15.068 1.00 21.49 ? 103 GLU A N 1
1375
+ ATOM 618 C CA . GLU A 1 221 ? 1.707 35.917 -14.669 1.00 20.78 ? 103 GLU A CA 1
1376
+ ATOM 619 C C . GLU A 1 221 ? 2.091 37.092 -13.790 1.00 24.09 ? 103 GLU A C 1
1377
+ ATOM 620 O O . GLU A 1 221 ? 1.799 38.234 -14.129 1.00 27.85 ? 103 GLU A O 1
1378
+ ATOM 621 C CB . GLU A 1 221 ? 2.613 35.913 -15.903 1.00 21.42 ? 103 GLU A CB 1
1379
+ ATOM 622 C CG . GLU A 1 221 ? 4.064 36.271 -15.564 1.00 36.63 ? 103 GLU A CG 1
1380
+ ATOM 623 C CD . GLU A 1 221 ? 4.970 36.403 -16.778 1.00 38.68 ? 103 GLU A CD 1
1381
+ ATOM 624 O OE1 . GLU A 1 221 ? 4.459 36.568 -17.921 1.00 26.97 ? 103 GLU A OE1 1
1382
+ ATOM 625 O OE2 . GLU A 1 221 ? 6.205 36.347 -16.572 1.00 38.74 ? 103 GLU A OE2 1
1383
+ ATOM 626 N N . GLN A 1 222 ? 2.741 36.820 -12.662 1.00 23.28 ? 104 GLN A N 1
1384
+ ATOM 627 C CA . GLN A 1 222 ? 3.392 37.876 -11.895 1.00 29.33 ? 104 GLN A CA 1
1385
+ ATOM 628 C C . GLN A 1 222 ? 4.907 37.691 -11.958 1.00 33.10 ? 104 GLN A C 1
1386
+ ATOM 629 O O . GLN A 1 222 ? 5.411 36.574 -11.912 1.00 38.77 ? 104 GLN A O 1
1387
+ ATOM 630 C CB . GLN A 1 222 ? 2.903 37.890 -10.446 1.00 38.02 ? 104 GLN A CB 1
1388
+ ATOM 631 C CG . GLN A 1 222 ? 1.408 38.159 -10.288 1.00 44.58 ? 104 GLN A CG 1
1389
+ ATOM 632 C CD . GLN A 1 222 ? 1.003 38.402 -8.837 1.00 41.92 ? 104 GLN A CD 1
1390
+ ATOM 633 O OE1 . GLN A 1 222 ? 1.854 38.544 -7.970 1.00 41.29 ? 104 GLN A OE1 1
1391
+ ATOM 634 N NE2 . GLN A 1 222 ? -0.299 38.453 -8.575 1.00 42.17 ? 104 GLN A NE2 1
1392
+ ATOM 635 N N . ASP A 1 223 ? 5.629 38.794 -12.064 1.00 37.00 ? 105 ASP A N 1
1393
+ ATOM 636 C CA . ASP A 1 223 ? 7.060 38.750 -12.335 1.00 38.26 ? 105 ASP A CA 1
1394
+ ATOM 637 C C . ASP A 1 223 ? 7.759 39.617 -11.294 1.00 33.36 ? 105 ASP A C 1
1395
+ ATOM 638 O O . ASP A 1 223 ? 7.577 40.840 -11.297 1.00 28.81 ? 105 ASP A O 1
1396
+ ATOM 639 C CB . ASP A 1 223 ? 7.304 39.305 -13.744 1.00 51.44 ? 105 ASP A CB 1
1397
+ ATOM 640 C CG . ASP A 1 223 ? 8.741 39.144 -14.211 1.00 55.87 ? 105 ASP A CG 1
1398
+ ATOM 641 O OD1 . ASP A 1 223 ? 9.654 39.095 -13.358 1.00 57.65 ? 105 ASP A OD1 1
1399
+ ATOM 642 O OD2 . ASP A 1 223 ? 8.954 39.075 -15.444 1.00 55.41 ? 105 ASP A OD2 1
1400
+ ATOM 643 N N . PHE A 1 224 ? 8.555 38.990 -10.419 1.00 36.68 ? 106 PHE A N 1
1401
+ ATOM 644 C CA . PHE A 1 224 ? 9.152 39.689 -9.270 1.00 32.73 ? 106 PHE A CA 1
1402
+ ATOM 645 C C . PHE A 1 224 ? 10.494 39.135 -8.807 1.00 34.00 ? 106 PHE A C 1
1403
+ ATOM 646 O O . PHE A 1 224 ? 10.812 37.975 -9.029 1.00 31.81 ? 106 PHE A O 1
1404
+ ATOM 647 C CB . PHE A 1 224 ? 8.188 39.692 -8.079 1.00 34.64 ? 106 PHE A CB 1
1405
+ ATOM 648 C CG . PHE A 1 224 ? 7.783 38.321 -7.617 1.00 32.58 ? 106 PHE A CG 1
1406
+ ATOM 649 C CD1 . PHE A 1 224 ? 6.767 37.625 -8.263 1.00 35.36 ? 106 PHE A CD1 1
1407
+ ATOM 650 C CD2 . PHE A 1 224 ? 8.407 37.728 -6.527 1.00 35.99 ? 106 PHE A CD2 1
1408
+ ATOM 651 C CE1 . PHE A 1 224 ? 6.378 36.351 -7.832 1.00 37.79 ? 106 PHE A CE1 1
1409
+ ATOM 652 C CE2 . PHE A 1 224 ? 8.031 36.452 -6.091 1.00 35.54 ? 106 PHE A CE2 1
1410
+ ATOM 653 C CZ . PHE A 1 224 ? 7.012 35.768 -6.746 1.00 33.63 ? 106 PHE A CZ 1
1411
+ ATOM 654 N N . ARG A 1 225 ? 11.270 39.979 -8.139 1.00 30.86 ? 107 ARG A N 1
1412
+ ATOM 655 C CA . ARG A 1 225 ? 12.518 39.535 -7.531 1.00 37.95 ? 107 ARG A CA 1
1413
+ ATOM 656 C C . ARG A 1 225 ? 12.354 39.282 -6.037 1.00 43.99 ? 107 ARG A C 1
1414
+ ATOM 657 O O . ARG A 1 225 ? 11.604 39.986 -5.351 1.00 43.04 ? 107 ARG A O 1
1415
+ ATOM 658 C CB . ARG A 1 225 ? 13.643 40.555 -7.747 1.00 39.63 ? 107 ARG A CB 1
1416
+ ATOM 659 C CG . ARG A 1 225 ? 14.200 40.594 -9.147 1.00 44.63 ? 107 ARG A CG 1
1417
+ ATOM 660 C CD . ARG A 1 225 ? 15.269 41.657 -9.249 1.00 51.52 ? 107 ARG A CD 1
1418
+ ATOM 661 N NE . ARG A 1 225 ? 16.549 41.090 -9.658 1.00 63.33 ? 107 ARG A NE 1
1419
+ ATOM 662 C CZ . ARG A 1 225 ? 17.732 41.649 -9.407 1.00 74.86 ? 107 ARG A CZ 1
1420
+ ATOM 663 N NH1 . ARG A 1 225 ? 17.807 42.797 -8.739 1.00 72.13 ? 107 ARG A NH1 1
1421
+ ATOM 664 N NH2 . ARG A 1 225 ? 18.846 41.058 -9.823 1.00 79.51 ? 107 ARG A NH2 1
1422
+ ATOM 665 N N . VAL A 1 226 ? 13.057 38.266 -5.544 1.00 40.57 ? 108 VAL A N 1
1423
+ ATOM 666 C CA . VAL A 1 226 ? 13.212 38.072 -4.109 1.00 35.09 ? 108 VAL A CA 1
1424
+ ATOM 667 C C . VAL A 1 226 ? 14.695 37.909 -3.789 1.00 37.48 ? 108 VAL A C 1
1425
+ ATOM 668 O O . VAL A 1 226 ? 15.272 36.841 -3.979 1.00 29.31 ? 108 VAL A O 1
1426
+ ATOM 669 C CB . VAL A 1 226 ? 12.410 36.874 -3.591 1.00 29.86 ? 108 VAL A CB 1
1427
+ ATOM 670 C CG1 . VAL A 1 226 ? 12.588 36.744 -2.085 1.00 25.73 ? 108 VAL A CG1 1
1428
+ ATOM 671 C CG2 . VAL A 1 226 ? 10.930 37.030 -3.947 1.00 29.71 ? 108 VAL A CG2 1
1429
+ ATOM 672 N N . GLY A 1 227 ? 15.305 38.999 -3.330 1.00 48.13 ? 109 GLY A N 1
1430
+ ATOM 673 C CA . GLY A 1 227 ? 16.723 39.024 -3.032 1.00 50.66 ? 109 GLY A CA 1
1431
+ ATOM 674 C C . GLY A 1 227 ? 17.598 38.578 -4.184 1.00 46.62 ? 109 GLY A C 1
1432
+ ATOM 675 O O . GLY A 1 227 ? 18.299 37.571 -4.075 1.00 46.93 ? 109 GLY A O 1
1433
+ ATOM 676 N N . GLY A 1 228 ? 17.548 39.320 -5.287 1.00 46.25 ? 110 GLY A N 1
1434
+ ATOM 677 C CA . GLY A 1 228 ? 18.419 39.067 -6.425 1.00 49.62 ? 110 GLY A CA 1
1435
+ ATOM 678 C C . GLY A 1 228 ? 18.023 37.895 -7.313 1.00 51.08 ? 110 GLY A C 1
1436
+ ATOM 679 O O . GLY A 1 228 ? 18.676 37.641 -8.329 1.00 53.08 ? 110 GLY A O 1
1437
+ ATOM 680 N N . THR A 1 229 ? 16.971 37.172 -6.932 1.00 47.40 ? 111 THR A N 1
1438
+ ATOM 681 C CA . THR A 1 229 ? 16.461 36.077 -7.757 1.00 43.35 ? 111 THR A CA 1
1439
+ ATOM 682 C C . THR A 1 229 ? 15.151 36.485 -8.427 1.00 36.97 ? 111 THR A C 1
1440
+ ATOM 683 O O . THR A 1 229 ? 14.221 36.943 -7.757 1.00 35.44 ? 111 THR A O 1
1441
+ ATOM 684 C CB . THR A 1 229 ? 16.248 34.777 -6.937 1.00 31.54 ? 111 THR A CB 1
1442
+ ATOM 685 O OG1 . THR A 1 229 ? 17.510 34.299 -6.464 1.00 26.45 ? 111 THR A OG1 1
1443
+ ATOM 686 C CG2 . THR A 1 229 ? 15.595 33.684 -7.786 1.00 20.15 ? 111 THR A CG2 1
1444
+ ATOM 687 N N . ARG A 1 230 ? 15.065 36.334 -9.745 1.00 30.28 ? 112 ARG A N 1
1445
+ ATOM 688 C CA . ARG A 1 230 ? 13.803 36.628 -10.410 1.00 33.72 ? 112 ARG A CA 1
1446
+ ATOM 689 C C . ARG A 1 230 ? 12.886 35.401 -10.523 1.00 25.10 ? 112 ARG A C 1
1447
+ ATOM 690 O O . ARG A 1 230 ? 13.308 34.318 -10.917 1.00 34.21 ? 112 ARG A O 1
1448
+ ATOM 691 C CB . ARG A 1 230 ? 14.006 37.293 -11.772 1.00 37.32 ? 112 ARG A CB 1
1449
+ ATOM 692 C CG . ARG A 1 230 ? 12.762 38.048 -12.237 1.00 41.74 ? 112 ARG A CG 1
1450
+ ATOM 693 C CD . ARG A 1 230 ? 12.849 38.438 -13.696 1.00 47.21 ? 112 ARG A CD 1
1451
+ ATOM 694 N NE . ARG A 1 230 ? 12.458 39.826 -13.907 1.00 58.28 ? 112 ARG A NE 1
1452
+ ATOM 695 C CZ . ARG A 1 230 ? 12.372 40.403 -15.102 1.00 64.38 ? 112 ARG A CZ 1
1453
+ ATOM 696 N NH1 . ARG A 1 230 ? 12.642 39.706 -16.198 1.00 62.06 ? 112 ARG A NH1 1
1454
+ ATOM 697 N NH2 . ARG A 1 230 ? 12.012 41.676 -15.201 1.00 67.78 ? 112 ARG A NH2 1
1455
+ ATOM 698 N N . TRP A 1 231 ? 11.628 35.609 -10.167 1.00 22.45 ? 113 TRP A N 1
1456
+ ATOM 699 C CA . TRP A 1 231 ? 10.605 34.569 -10.149 1.00 25.74 ? 113 TRP A CA 1
1457
+ ATOM 700 C C . TRP A 1 231 ? 9.444 34.887 -11.086 1.00 25.72 ? 113 TRP A C 1
1458
+ ATOM 701 O O . TRP A 1 231 ? 9.108 36.055 -11.319 1.00 34.48 ? 113 TRP A O 1
1459
+ ATOM 702 C CB . TRP A 1 231 ? 10.054 34.397 -8.724 1.00 19.65 ? 113 TRP A CB 1
1460
+ ATOM 703 C CG . TRP A 1 231 ? 11.044 33.755 -7.745 1.00 22.11 ? 113 TRP A CG 1
1461
+ ATOM 704 C CD1 . TRP A 1 231 ? 11.994 34.394 -6.983 1.00 19.38 ? 113 TRP A CD1 1
1462
+ ATOM 705 C CD2 . TRP A 1 231 ? 11.169 32.359 -7.444 1.00 22.47 ? 113 TRP A CD2 1
1463
+ ATOM 706 N NE1 . TRP A 1 231 ? 12.690 33.481 -6.231 1.00 20.03 ? 113 TRP A NE1 1
1464
+ ATOM 707 C CE2 . TRP A 1 231 ? 12.210 32.227 -6.499 1.00 18.45 ? 113 TRP A CE2 1
1465
+ ATOM 708 C CE3 . TRP A 1 231 ? 10.520 31.203 -7.908 1.00 17.56 ? 113 TRP A CE3 1
1466
+ ATOM 709 C CZ2 . TRP A 1 231 ? 12.588 30.994 -5.978 1.00 22.54 ? 113 TRP A CZ2 1
1467
+ ATOM 710 C CZ3 . TRP A 1 231 ? 10.899 29.995 -7.399 1.00 21.11 ? 113 TRP A CZ3 1
1468
+ ATOM 711 C CH2 . TRP A 1 231 ? 11.925 29.893 -6.435 1.00 24.37 ? 113 TRP A CH2 1
1469
+ ATOM 712 N N . HIS A 1 232 ? 8.831 33.838 -11.617 1.00 18.01 ? 114 HIS A N 1
1470
+ ATOM 713 C CA . HIS A 1 232 ? 7.607 33.974 -12.384 1.00 18.15 ? 114 HIS A CA 1
1471
+ ATOM 714 C C . HIS A 1 232 ? 6.573 33.039 -11.765 1.00 18.38 ? 114 HIS A C 1
1472
+ ATOM 715 O O . HIS A 1 232 ? 6.893 31.919 -11.407 1.00 19.88 ? 114 HIS A O 1
1473
+ ATOM 716 C CB . HIS A 1 232 ? 7.843 33.588 -13.845 1.00 33.05 ? 114 HIS A CB 1
1474
+ ATOM 717 C CG . HIS A 1 232 ? 8.868 34.430 -14.533 1.00 36.09 ? 114 HIS A CG 1
1475
+ ATOM 718 N ND1 . HIS A 1 232 ? 8.535 35.476 -15.364 1.00 39.72 ? 114 HIS A ND1 1
1476
+ ATOM 719 C CD2 . HIS A 1 232 ? 10.222 34.382 -14.510 1.00 36.28 ? 114 HIS A CD2 1
1477
+ ATOM 720 C CE1 . HIS A 1 232 ? 9.639 36.042 -15.822 1.00 40.11 ? 114 HIS A CE1 1
1478
+ ATOM 721 N NE2 . HIS A 1 232 ? 10.676 35.396 -15.319 1.00 36.00 ? 114 HIS A NE2 1
1479
+ ATOM 722 N N . ARG A 1 233 ? 5.343 33.502 -11.645 1.00 17.41 ? 115 ARG A N 1
1480
+ ATOM 723 C CA . ARG A 1 233 ? 4.314 32.739 -10.973 1.00 20.61 ? 115 ARG A CA 1
1481
+ ATOM 724 C C . ARG A 1 233 ? 3.044 32.889 -11.780 1.00 22.82 ? 115 ARG A C 1
1482
+ ATOM 725 O O . ARG A 1 233 ? 2.587 33.998 -12.050 1.00 26.29 ? 115 ARG A O 1
1483
+ ATOM 726 C CB . ARG A 1 233 ? 4.102 33.260 -9.536 1.00 22.46 ? 115 ARG A CB 1
1484
+ ATOM 727 C CG . ARG A 1 233 ? 2.931 32.603 -8.778 1.00 32.46 ? 115 ARG A CG 1
1485
+ ATOM 728 C CD . ARG A 1 233 ? 2.856 33.054 -7.310 1.00 39.51 ? 115 ARG A CD 1
1486
+ ATOM 729 N NE . ARG A 1 233 ? 2.364 34.430 -7.168 1.00 45.94 ? 115 ARG A NE 1
1487
+ ATOM 730 C CZ . ARG A 1 233 ? 2.816 35.313 -6.274 1.00 40.01 ? 115 ARG A CZ 1
1488
+ ATOM 731 N NH1 . ARG A 1 233 ? 3.787 34.995 -5.433 1.00 33.88 ? 115 ARG A NH1 1
1489
+ ATOM 732 N NH2 . ARG A 1 233 ? 2.302 36.532 -6.225 1.00 41.19 ? 115 ARG A NH2 1
1490
+ ATOM 733 N N . LEU A 1 234 ? 2.492 31.760 -12.184 1.00 18.66 ? 116 LEU A N 1
1491
+ ATOM 734 C CA . LEU A 1 234 ? 1.298 31.746 -13.011 1.00 22.58 ? 116 LEU A CA 1
1492
+ ATOM 735 C C . LEU A 1 234 ? 0.150 31.344 -12.118 1.00 17.35 ? 116 LEU A C 1
1493
+ ATOM 736 O O . LEU A 1 234 ? 0.179 30.295 -11.499 1.00 21.08 ? 116 LEU A O 1
1494
+ ATOM 737 C CB . LEU A 1 234 ? 1.444 30.708 -14.131 1.00 31.41 ? 116 LEU A CB 1
1495
+ ATOM 738 C CG . LEU A 1 234 ? 1.828 31.136 -15.541 1.00 33.97 ? 116 LEU A CG 1
1496
+ ATOM 739 C CD1 . LEU A 1 234 ? 2.760 32.310 -15.493 1.00 39.73 ? 116 LEU A CD1 1
1497
+ ATOM 740 C CD2 . LEU A 1 234 ? 2.488 29.972 -16.245 1.00 31.85 ? 116 LEU A CD2 1
1498
+ ATOM 741 N N . LEU A 1 235 ? -0.867 32.177 -12.059 1.00 17.95 ? 117 LEU A N 1
1499
+ ATOM 742 C CA . LEU A 1 235 ? -2.006 31.886 -11.227 1.00 23.70 ? 117 LEU A CA 1
1500
+ ATOM 743 C C . LEU A 1 235 ? -3.225 31.769 -12.114 1.00 22.71 ? 117 LEU A C 1
1501
+ ATOM 744 O O . LEU A 1 235 ? -3.405 32.522 -13.072 1.00 29.91 ? 117 LEU A O 1
1502
+ ATOM 745 C CB . LEU A 1 235 ? -2.211 32.995 -10.184 1.00 32.33 ? 117 LEU A CB 1
1503
+ ATOM 746 C CG . LEU A 1 235 ? -1.051 33.383 -9.256 1.00 34.16 ? 117 LEU A CG 1
1504
+ ATOM 747 C CD1 . LEU A 1 235 ? -1.408 34.645 -8.498 1.00 33.70 ? 117 LEU A CD1 1
1505
+ ATOM 748 C CD2 . LEU A 1 235 ? -0.705 32.280 -8.263 1.00 32.88 ? 117 LEU A CD2 1
1506
+ ATOM 749 N N . ARG A 1 236 ? -4.061 30.804 -11.795 1.00 30.20 ? 118 ARG A N 1
1507
+ ATOM 750 C CA . ARG A 1 236 ? -5.319 30.639 -12.486 1.00 26.58 ? 118 ARG A CA 1
1508
+ ATOM 751 C C . ARG A 1 236 ? -6.131 31.865 -12.146 1.00 32.07 ? 118 ARG A C 1
1509
+ ATOM 752 O O . ARG A 1 236 ? -6.172 32.267 -10.983 1.00 36.94 ? 118 ARG A O 1
1510
+ ATOM 753 C CB . ARG A 1 236 ? -5.985 29.369 -11.960 1.00 24.24 ? 118 ARG A CB 1
1511
+ ATOM 754 C CG . ARG A 1 236 ? -7.318 29.037 -12.537 1.00 33.31 ? 118 ARG A CG 1
1512
+ ATOM 755 C CD . ARG A 1 236 ? -7.190 28.364 -13.874 1.00 35.21 ? 118 ARG A CD 1
1513
+ ATOM 756 N NE . ARG A 1 236 ? -7.606 29.284 -14.906 1.00 45.29 ? 118 ARG A NE 1
1514
+ ATOM 757 C CZ . ARG A 1 236 ? -8.866 29.531 -15.221 1.00 44.94 ? 118 ARG A CZ 1
1515
+ ATOM 758 N NH1 . ARG A 1 236 ? -9.849 28.906 -14.582 1.00 39.55 ? 118 ARG A NH1 1
1516
+ ATOM 759 N NH2 . ARG A 1 236 ? -9.136 30.406 -16.178 1.00 48.99 ? 118 ARG A NH2 1
1517
+ ATOM 760 N N . MET A 1 237 ? -6.747 32.483 -13.152 1.00 40.36 ? 119 MET A N 1
1518
+ ATOM 761 C CA . MET A 1 237 ? -7.637 33.627 -12.938 1.00 56.87 ? 119 MET A CA 1
1519
+ ATOM 762 C C . MET A 1 237 ? -9.043 33.362 -13.491 1.00 73.84 ? 119 MET A C 1
1520
+ ATOM 763 O O . MET A 1 237 ? -9.216 33.171 -14.698 1.00 75.46 ? 119 MET A O 1
1521
+ ATOM 764 C CB . MET A 1 237 ? -7.049 34.896 -13.565 1.00 60.84 ? 119 MET A CB 1
1522
+ ATOM 765 C CG . MET A 1 237 ? -6.508 34.681 -14.966 1.00 62.63 ? 119 MET A CG 1
1523
+ ATOM 766 S SD . MET A 1 237 ? -6.096 36.162 -15.913 1.00 67.98 ? 119 MET A SD 1
1524
+ ATOM 767 C CE . MET A 1 237 ? -7.057 37.418 -15.070 1.00 50.06 ? 119 MET A CE 1
1525
+ ATOM 768 N N . PRO A 1 238 ? -10.057 33.374 -12.602 1.00 82.78 ? 120 PRO A N 1
1526
+ ATOM 769 C CA . PRO A 1 238 ? -11.457 33.002 -12.887 1.00 88.13 ? 120 PRO A CA 1
1527
+ ATOM 770 C C . PRO A 1 238 ? -12.190 33.909 -13.896 1.00 96.33 ? 120 PRO A C 1
1528
+ ATOM 771 O O . PRO A 1 238 ? -11.554 34.740 -14.549 1.00 94.55 ? 120 PRO A O 1
1529
+ ATOM 772 C CB . PRO A 1 238 ? -12.125 33.090 -11.508 1.00 83.95 ? 120 PRO A CB 1
1530
+ ATOM 773 C CG . PRO A 1 238 ? -11.275 34.064 -10.736 1.00 76.53 ? 120 PRO A CG 1
1531
+ ATOM 774 C CD . PRO A 1 238 ? -9.876 33.827 -11.209 1.00 76.62 ? 120 PRO A CD 1
1532
+ ATOM 775 N N . VAL A 1 239 ? -13.509 33.733 -14.031 1.00 103.30 ? 121 VAL A N 1
1533
+ ATOM 776 C CA . VAL A 1 239 ? -14.333 34.610 -14.878 1.00 110.33 ? 121 VAL A CA 1
1534
+ ATOM 777 C C . VAL A 1 239 ? -15.310 35.454 -14.055 1.00 116.04 ? 121 VAL A C 1
1535
+ ATOM 778 O O . VAL A 1 239 ? -15.628 35.126 -12.911 1.00 118.92 ? 121 VAL A O 1
1536
+ ATOM 779 C CB . VAL A 1 239 ? -15.113 33.837 -15.984 1.00 51.94 ? 121 VAL A CB 1
1537
+ ATOM 780 C CG1 . VAL A 1 239 ? -16.650 33.916 -15.769 1.00 45.08 ? 121 VAL A CG1 1
1538
+ ATOM 781 C CG2 . VAL A 1 239 ? -14.738 34.366 -17.378 1.00 49.52 ? 121 VAL A CG2 1
1539
+ ATOM 782 N N . THR B 1 142 ? 1.934 14.600 -1.799 1.00 88.60 ? 24 THR B N 1
1540
+ ATOM 783 C CA . THR B 1 142 ? 2.658 13.330 -1.828 1.00 88.59 ? 24 THR B CA 1
1541
+ ATOM 784 C C . THR B 1 142 ? 4.174 13.517 -1.978 1.00 90.63 ? 24 THR B C 1
1542
+ ATOM 785 O O . THR B 1 142 ? 4.925 12.537 -1.995 1.00 94.55 ? 24 THR B O 1
1543
+ ATOM 786 C CB . THR B 1 142 ? 2.113 12.423 -2.937 1.00 83.72 ? 24 THR B CB 1
1544
+ ATOM 787 N N . GLU B 1 143 ? 4.618 14.771 -2.080 1.00 80.99 ? 25 GLU B N 1
1545
+ ATOM 788 C CA . GLU B 1 143 ? 6.046 15.081 -2.202 1.00 71.74 ? 25 GLU B CA 1
1546
+ ATOM 789 C C . GLU B 1 143 ? 6.476 16.143 -1.170 1.00 63.90 ? 25 GLU B C 1
1547
+ ATOM 790 O O . GLU B 1 143 ? 7.121 15.820 -0.171 1.00 62.71 ? 25 GLU B O 1
1548
+ ATOM 791 C CB . GLU B 1 143 ? 6.385 15.531 -3.636 1.00 66.22 ? 25 GLU B CB 1
1549
+ ATOM 792 C CG . GLU B 1 143 ? 7.877 15.527 -3.980 1.00 58.69 ? 25 GLU B CG 1
1550
+ ATOM 793 C CD . GLU B 1 143 ? 8.198 16.339 -5.231 1.00 52.22 ? 25 GLU B CD 1
1551
+ ATOM 794 O OE1 . GLU B 1 143 ? 8.195 17.589 -5.143 1.00 49.42 ? 25 GLU B OE1 1
1552
+ ATOM 795 O OE2 . GLU B 1 143 ? 8.453 15.732 -6.296 1.00 44.46 ? 25 GLU B OE2 1
1553
+ ATOM 796 N N . ALA B 1 144 ? 6.117 17.401 -1.417 1.00 53.56 ? 26 ALA B N 1
1554
+ ATOM 797 C CA . ALA B 1 144 ? 6.398 18.492 -0.481 1.00 42.09 ? 26 ALA B CA 1
1555
+ ATOM 798 C C . ALA B 1 144 ? 5.135 19.331 -0.276 1.00 40.32 ? 26 ALA B C 1
1556
+ ATOM 799 O O . ALA B 1 144 ? 4.359 19.536 -1.219 1.00 34.69 ? 26 ALA B O 1
1557
+ ATOM 800 C CB . ALA B 1 144 ? 7.550 19.356 -0.984 1.00 30.14 ? 26 ALA B CB 1
1558
+ ATOM 801 N N . CYS B 1 145 ? 4.935 19.824 0.945 1.00 37.23 ? 27 CYS B N 1
1559
+ ATOM 802 C CA . CYS B 1 145 ? 3.665 20.460 1.290 1.00 33.96 ? 27 CYS B CA 1
1560
+ ATOM 803 C C . CYS B 1 145 ? 3.774 21.552 2.364 1.00 30.04 ? 27 CYS B C 1
1561
+ ATOM 804 O O . CYS B 1 145 ? 4.526 21.409 3.335 1.00 33.08 ? 27 CYS B O 1
1562
+ ATOM 805 C CB . CYS B 1 145 ? 2.670 19.376 1.745 1.00 35.22 ? 27 CYS B CB 1
1563
+ ATOM 806 S SG . CYS B 1 145 ? 0.939 19.912 1.818 1.00 86.39 ? 27 CYS B SG 1
1564
+ ATOM 807 N N . VAL B 1 146 ? 3.030 22.644 2.168 1.00 22.73 ? 28 VAL B N 1
1565
+ ATOM 808 C CA . VAL B 1 146 ? 2.759 23.631 3.216 1.00 15.63 ? 28 VAL B CA 1
1566
+ ATOM 809 C C . VAL B 1 146 ? 1.261 23.897 3.286 1.00 19.83 ? 28 VAL B C 1
1567
+ ATOM 810 O O . VAL B 1 146 ? 0.518 23.510 2.393 1.00 25.15 ? 28 VAL B O 1
1568
+ ATOM 811 C CB . VAL B 1 146 ? 3.495 24.975 2.997 1.00 24.47 ? 28 VAL B CB 1
1569
+ ATOM 812 C CG1 . VAL B 1 146 ? 4.957 24.875 3.408 1.00 22.15 ? 28 VAL B CG1 1
1570
+ ATOM 813 C CG2 . VAL B 1 146 ? 3.346 25.450 1.558 1.00 24.39 ? 28 VAL B CG2 1
1571
+ ATOM 814 N N . THR B 1 147 ? 0.825 24.554 4.354 1.00 21.13 ? 29 THR B N 1
1572
+ ATOM 815 C CA . THR B 1 147 ? -0.589 24.848 4.583 1.00 15.87 ? 29 THR B CA 1
1573
+ ATOM 816 C C . THR B 1 147 ? -0.846 26.367 4.658 1.00 20.78 ? 29 THR B C 1
1574
+ ATOM 817 O O . THR B 1 147 ? 0.012 27.147 5.079 1.00 18.19 ? 29 THR B O 1
1575
+ ATOM 818 C CB . THR B 1 147 ? -1.083 24.136 5.873 1.00 18.27 ? 29 THR B CB 1
1576
+ ATOM 819 O OG1 . THR B 1 147 ? -0.920 22.718 5.720 1.00 17.44 ? 29 THR B OG1 1
1577
+ ATOM 820 C CG2 . THR B 1 147 ? -2.545 24.429 6.159 1.00 20.11 ? 29 THR B CG2 1
1578
+ ATOM 821 N N . SER B 1 148 ? -2.018 26.778 4.199 1.00 17.24 ? 30 SER B N 1
1579
+ ATOM 822 C CA . SER B 1 148 ? -2.496 28.137 4.377 1.00 21.83 ? 30 SER B CA 1
1580
+ ATOM 823 C C . SER B 1 148 ? -3.904 28.085 4.963 1.00 26.98 ? 30 SER B C 1
1581
+ ATOM 824 O O . SER B 1 148 ? -4.573 27.052 4.920 1.00 16.48 ? 30 SER B O 1
1582
+ ATOM 825 C CB . SER B 1 148 ? -2.560 28.859 3.034 1.00 15.54 ? 30 SER B CB 1
1583
+ ATOM 826 O OG . SER B 1 148 ? -1.277 29.005 2.467 1.00 23.11 ? 30 SER B OG 1
1584
+ ATOM 827 N N . TRP B 1 149 ? -4.366 29.214 5.484 1.00 22.47 ? 31 TRP B N 1
1585
+ ATOM 828 C CA . TRP B 1 149 ? -5.718 29.282 6.004 1.00 27.95 ? 31 TRP B CA 1
1586
+ ATOM 829 C C . TRP B 1 149 ? -6.390 30.561 5.483 1.00 26.16 ? 31 TRP B C 1
1587
+ ATOM 830 O O . TRP B 1 149 ? -5.744 31.599 5.310 1.00 21.26 ? 31 TRP B O 1
1588
+ ATOM 831 C CB . TRP B 1 149 ? -5.704 29.196 7.547 1.00 34.02 ? 31 TRP B CB 1
1589
+ ATOM 832 C CG . TRP B 1 149 ? -5.496 27.766 8.112 1.00 19.15 ? 31 TRP B CG 1
1590
+ ATOM 833 C CD1 . TRP B 1 149 ? -6.467 26.806 8.310 1.00 20.71 ? 31 TRP B CD1 1
1591
+ ATOM 834 C CD2 . TRP B 1 149 ? -4.262 27.171 8.539 1.00 18.01 ? 31 TRP B CD2 1
1592
+ ATOM 835 N NE1 . TRP B 1 149 ? -5.903 25.652 8.818 1.00 23.19 ? 31 TRP B NE1 1
1593
+ ATOM 836 C CE2 . TRP B 1 149 ? -4.555 25.852 8.969 1.00 21.36 ? 31 TRP B CE2 1
1594
+ ATOM 837 C CE3 . TRP B 1 149 ? -2.937 27.617 8.589 1.00 40.17 ? 31 TRP B CE3 1
1595
+ ATOM 838 C CZ2 . TRP B 1 149 ? -3.577 24.991 9.454 1.00 33.82 ? 31 TRP B CZ2 1
1596
+ ATOM 839 C CZ3 . TRP B 1 149 ? -1.961 26.755 9.067 1.00 44.86 ? 31 TRP B CZ3 1
1597
+ ATOM 840 C CH2 . TRP B 1 149 ? -2.284 25.459 9.497 1.00 46.77 ? 31 TRP B CH2 1
1598
+ ATOM 841 N N . LEU B 1 150 ? -7.682 30.471 5.204 1.00 18.01 ? 32 LEU B N 1
1599
+ ATOM 842 C CA . LEU B 1 150 ? -8.423 31.627 4.744 1.00 19.32 ? 32 LEU B CA 1
1600
+ ATOM 843 C C . LEU B 1 150 ? -9.852 31.617 5.279 1.00 26.88 ? 32 LEU B C 1
1601
+ ATOM 844 O O . LEU B 1 150 ? -10.575 30.613 5.148 1.00 22.82 ? 32 LEU B O 1
1602
+ ATOM 845 C CB . LEU B 1 150 ? -8.461 31.650 3.220 1.00 18.22 ? 32 LEU B CB 1
1603
+ ATOM 846 C CG . LEU B 1 150 ? -9.214 32.800 2.545 1.00 25.00 ? 32 LEU B CG 1
1604
+ ATOM 847 C CD1 . LEU B 1 150 ? -8.318 34.029 2.436 1.00 24.14 ? 32 LEU B CD1 1
1605
+ ATOM 848 C CD2 . LEU B 1 150 ? -9.724 32.366 1.170 1.00 28.14 ? 32 LEU B CD2 1
1606
+ ATOM 849 N N . TRP B 1 151 ? -10.275 32.741 5.850 1.00 25.45 ? 33 TRP B N 1
1607
+ ATOM 850 C CA . TRP B 1 151 ? -11.634 32.817 6.340 1.00 21.11 ? 33 TRP B CA 1
1608
+ ATOM 851 C C . TRP B 1 151 ? -12.239 34.221 6.340 1.00 22.07 ? 33 TRP B C 1
1609
+ ATOM 852 O O . TRP B 1 151 ? -11.537 35.234 6.392 1.00 22.12 ? 33 TRP B O 1
1610
+ ATOM 853 C CB . TRP B 1 151 ? -11.767 32.111 7.699 1.00 21.89 ? 33 TRP B CB 1
1611
+ ATOM 854 C CG . TRP B 1 151 ? -11.093 32.774 8.866 1.00 21.67 ? 33 TRP B CG 1
1612
+ ATOM 855 C CD1 . TRP B 1 151 ? -11.717 33.407 9.903 1.00 22.76 ? 33 TRP B CD1 1
1613
+ ATOM 856 C CD2 . TRP B 1 151 ? -9.682 32.867 9.128 1.00 21.09 ? 33 TRP B CD2 1
1614
+ ATOM 857 N NE1 . TRP B 1 151 ? -10.787 33.884 10.802 1.00 22.85 ? 33 TRP B NE1 1
1615
+ ATOM 858 C CE2 . TRP B 1 151 ? -9.531 33.570 10.351 1.00 21.89 ? 33 TRP B CE2 1
1616
+ ATOM 859 C CE3 . TRP B 1 151 ? -8.533 32.425 8.460 1.00 27.52 ? 33 TRP B CE3 1
1617
+ ATOM 860 C CZ2 . TRP B 1 151 ? -8.272 33.847 10.916 1.00 21.80 ? 33 TRP B CZ2 1
1618
+ ATOM 861 C CZ3 . TRP B 1 151 ? -7.266 32.694 9.035 1.00 19.99 ? 33 TRP B CZ3 1
1619
+ ATOM 862 C CH2 . TRP B 1 151 ? -7.154 33.400 10.244 1.00 20.85 ? 33 TRP B CH2 1
1620
+ ATOM 863 N N . SER B 1 152 ? -13.563 34.258 6.252 1.00 22.99 ? 34 SER B N 1
1621
+ ATOM 864 C CA . SER B 1 152 ? -14.267 35.492 6.128 1.00 24.10 ? 34 SER B CA 1
1622
+ ATOM 865 C C . SER B 1 152 ? -15.044 35.719 7.399 1.00 36.71 ? 34 SER B C 1
1623
+ ATOM 866 O O . SER B 1 152 ? -15.186 34.802 8.201 1.00 36.69 ? 34 SER B O 1
1624
+ ATOM 867 C CB . SER B 1 152 ? -15.219 35.432 4.931 1.00 30.11 ? 34 SER B CB 1
1625
+ ATOM 868 O OG . SER B 1 152 ? -16.234 34.475 5.134 1.00 30.40 ? 34 SER B OG 1
1626
+ ATOM 869 N N . GLU B 1 153 ? -15.529 36.946 7.586 1.00 36.87 ? 35 GLU B N 1
1627
+ ATOM 870 C CA . GLU B 1 153 ? -16.422 37.274 8.696 1.00 37.36 ? 35 GLU B CA 1
1628
+ ATOM 871 C C . GLU B 1 153 ? -17.788 37.659 8.138 1.00 40.51 ? 35 GLU B C 1
1629
+ ATOM 872 O O . GLU B 1 153 ? -17.986 37.638 6.922 1.00 39.10 ? 35 GLU B O 1
1630
+ ATOM 873 C CB . GLU B 1 153 ? -15.864 38.430 9.516 1.00 37.79 ? 35 GLU B CB 1
1631
+ ATOM 874 C CG . GLU B 1 153 ? -14.555 38.131 10.233 1.00 53.46 ? 35 GLU B CG 1
1632
+ ATOM 875 C CD . GLU B 1 153 ? -14.306 39.083 11.410 1.00 77.64 ? 35 GLU B CD 1
1633
+ ATOM 876 O OE1 . GLU B 1 153 ? -15.158 39.971 11.663 1.00 82.46 ? 35 GLU B OE1 1
1634
+ ATOM 877 O OE2 . GLU B 1 153 ? -13.263 38.947 12.089 1.00 84.19 ? 35 GLU B OE2 1
1635
+ ATOM 878 N N . GLY B 1 154 ? -18.722 38.008 9.027 1.00 39.87 ? 36 GLY B N 1
1636
+ ATOM 879 C CA . GLY B 1 154 ? -20.083 38.378 8.645 1.00 36.08 ? 36 GLY B CA 1
1637
+ ATOM 880 C C . GLY B 1 154 ? -20.962 37.199 8.262 1.00 41.34 ? 36 GLY B C 1
1638
+ ATOM 881 O O . GLY B 1 154 ? -20.482 36.071 8.191 1.00 40.71 ? 36 GLY B O 1
1639
+ ATOM 882 N N . GLU B 1 155 ? -22.249 37.453 8.015 1.00 47.08 ? 37 GLU B N 1
1640
+ ATOM 883 C CA . GLU B 1 155 ? -23.169 36.387 7.609 1.00 44.24 ? 37 GLU B CA 1
1641
+ ATOM 884 C C . GLU B 1 155 ? -22.635 35.684 6.361 1.00 43.21 ? 37 GLU B C 1
1642
+ ATOM 885 O O . GLU B 1 155 ? -22.115 36.340 5.444 1.00 45.97 ? 37 GLU B O 1
1643
+ ATOM 886 C CB . GLU B 1 155 ? -24.582 36.923 7.334 1.00 51.02 ? 37 GLU B CB 1
1644
+ ATOM 887 C CG . GLU B 1 155 ? -24.889 38.303 7.909 1.00 62.37 ? 37 GLU B CG 1
1645
+ ATOM 888 C CD . GLU B 1 155 ? -26.346 38.710 7.690 1.00 66.79 ? 37 GLU B CD 1
1646
+ ATOM 889 O OE1 . GLU B 1 155 ? -26.684 39.900 7.890 1.00 61.47 ? 37 GLU B OE1 1
1647
+ ATOM 890 O OE2 . GLU B 1 155 ? -27.152 37.825 7.325 1.00 69.72 ? 37 GLU B OE2 1
1648
+ ATOM 891 N N . GLY B 1 156 ? -22.752 34.358 6.325 1.00 34.37 ? 38 GLY B N 1
1649
+ ATOM 892 C CA . GLY B 1 156 ? -22.191 33.589 5.226 1.00 34.98 ? 38 GLY B CA 1
1650
+ ATOM 893 C C . GLY B 1 156 ? -20.676 33.490 5.329 1.00 39.51 ? 38 GLY B C 1
1651
+ ATOM 894 O O . GLY B 1 156 ? -19.971 33.348 4.326 1.00 39.60 ? 38 GLY B O 1
1652
+ ATOM 895 N N . ALA B 1 157 ? -20.168 33.586 6.552 1.00 39.31 ? 39 ALA B N 1
1653
+ ATOM 896 C CA . ALA B 1 157 ? -18.749 33.399 6.802 1.00 32.67 ? 39 ALA B CA 1
1654
+ ATOM 897 C C . ALA B 1 157 ? -18.401 31.998 6.345 1.00 32.25 ? 39 ALA B C 1
1655
+ ATOM 898 O O . ALA B 1 157 ? -19.157 31.062 6.607 1.00 33.39 ? 39 ALA B O 1
1656
+ ATOM 899 C CB . ALA B 1 157 ? -18.447 33.559 8.288 1.00 27.40 ? 39 ALA B CB 1
1657
+ ATOM 900 N N . VAL B 1 158 ? -17.281 31.862 5.637 1.00 29.24 ? 40 VAL B N 1
1658
+ ATOM 901 C CA . VAL B 1 158 ? -16.744 30.547 5.309 1.00 31.82 ? 40 VAL B CA 1
1659
+ ATOM 902 C C . VAL B 1 158 ? -15.333 30.389 5.875 1.00 34.99 ? 40 VAL B C 1
1660
+ ATOM 903 O O . VAL B 1 158 ? -14.649 31.384 6.171 1.00 30.25 ? 40 VAL B O 1
1661
+ ATOM 904 C CB . VAL B 1 158 ? -16.707 30.280 3.792 1.00 30.77 ? 40 VAL B CB 1
1662
+ ATOM 905 C CG1 . VAL B 1 158 ? -18.078 30.560 3.158 1.00 30.24 ? 40 VAL B CG1 1
1663
+ ATOM 906 C CG2 . VAL B 1 158 ? -15.592 31.092 3.135 1.00 28.55 ? 40 VAL B CG2 1
1664
+ ATOM 907 N N . PHE B 1 159 ? -14.920 29.131 6.016 1.00 32.84 ? 41 PHE B N 1
1665
+ ATOM 908 C CA . PHE B 1 159 ? -13.637 28.768 6.607 1.00 28.98 ? 41 PHE B CA 1
1666
+ ATOM 909 C C . PHE B 1 159 ? -13.008 27.701 5.745 1.00 31.84 ? 41 PHE B C 1
1667
+ ATOM 910 O O . PHE B 1 159 ? -13.676 26.729 5.386 1.00 21.36 ? 41 PHE B O 1
1668
+ ATOM 911 C CB . PHE B 1 159 ? -13.841 28.246 8.027 1.00 23.29 ? 41 PHE B CB 1
1669
+ ATOM 912 C CG . PHE B 1 159 ? -14.555 29.219 8.925 1.00 29.14 ? 41 PHE B CG 1
1670
+ ATOM 913 C CD1 . PHE B 1 159 ? -15.946 29.359 8.866 1.00 25.46 ? 41 PHE B CD1 1
1671
+ ATOM 914 C CD2 . PHE B 1 159 ? -13.842 30.014 9.815 1.00 23.13 ? 41 PHE B CD2 1
1672
+ ATOM 915 C CE1 . PHE B 1 159 ? -16.619 30.281 9.689 1.00 25.29 ? 41 PHE B CE1 1
1673
+ ATOM 916 C CE2 . PHE B 1 159 ? -14.509 30.934 10.644 1.00 37.77 ? 41 PHE B CE2 1
1674
+ ATOM 917 C CZ . PHE B 1 159 ? -15.893 31.065 10.582 1.00 25.21 ? 41 PHE B CZ 1
1675
+ ATOM 918 N N . TYR B 1 160 ? -11.731 27.899 5.409 1.00 19.97 ? 42 TYR B N 1
1676
+ ATOM 919 C CA . TYR B 1 160 ? -11.003 27.040 4.482 1.00 19.27 ? 42 TYR B CA 1
1677
+ ATOM 920 C C . TYR B 1 160 ? -9.582 26.753 4.949 1.00 18.55 ? 42 TYR B C 1
1678
+ ATOM 921 O O . TYR B 1 160 ? -8.863 27.661 5.375 1.00 18.29 ? 42 TYR B O 1
1679
+ ATOM 922 C CB . TYR B 1 160 ? -10.894 27.696 3.094 1.00 34.80 ? 42 TYR B CB 1
1680
+ ATOM 923 C CG . TYR B 1 160 ? -12.095 27.541 2.182 1.00 31.07 ? 42 TYR B CG 1
1681
+ ATOM 924 C CD1 . TYR B 1 160 ? -12.268 26.401 1.423 1.00 34.44 ? 42 TYR B CD1 1
1682
+ ATOM 925 C CD2 . TYR B 1 160 ? -13.041 28.556 2.055 1.00 28.84 ? 42 TYR B CD2 1
1683
+ ATOM 926 C CE1 . TYR B 1 160 ? -13.363 26.262 0.578 1.00 33.54 ? 42 TYR B CE1 1
1684
+ ATOM 927 C CE2 . TYR B 1 160 ? -14.135 28.422 1.213 1.00 28.94 ? 42 TYR B CE2 1
1685
+ ATOM 928 C CZ . TYR B 1 160 ? -14.286 27.269 0.482 1.00 31.32 ? 42 TYR B CZ 1
1686
+ ATOM 929 O OH . TYR B 1 160 ? -15.366 27.117 -0.358 1.00 43.88 ? 42 TYR B OH 1
1687
+ ATOM 930 N N . ARG B 1 161 ? -9.191 25.486 4.838 1.00 18.41 ? 43 ARG B N 1
1688
+ ATOM 931 C CA . ARG B 1 161 ? -7.796 25.076 4.882 1.00 24.74 ? 43 ARG B CA 1
1689
+ ATOM 932 C C . ARG B 1 161 ? -7.329 24.899 3.439 1.00 24.71 ? 43 ARG B C 1
1690
+ ATOM 933 O O . ARG B 1 161 ? -8.051 24.330 2.604 1.00 19.49 ? 43 ARG B O 1
1691
+ ATOM 934 C CB . ARG B 1 161 ? -7.636 23.728 5.611 1.00 21.71 ? 43 ARG B CB 1
1692
+ ATOM 935 C CG . ARG B 1 161 ? -6.191 23.203 5.580 1.00 18.80 ? 43 ARG B CG 1
1693
+ ATOM 936 C CD . ARG B 1 161 ? -6.060 21.679 5.712 1.00 18.26 ? 43 ARG B CD 1
1694
+ ATOM 937 N NE . ARG B 1 161 ? -6.002 21.294 7.105 1.00 39.35 ? 43 ARG B NE 1
1695
+ ATOM 938 C CZ . ARG B 1 161 ? -4.894 20.955 7.753 1.00 34.66 ? 43 ARG B CZ 1
1696
+ ATOM 939 N NH1 . ARG B 1 161 ? -3.724 20.915 7.128 1.00 18.55 ? 43 ARG B NH1 1
1697
+ ATOM 940 N NH2 . ARG B 1 161 ? -4.974 20.638 9.036 1.00 30.30 ? 43 ARG B NH2 1
1698
+ ATOM 941 N N . VAL B 1 162 ? -6.126 25.371 3.138 1.00 19.87 ? 44 VAL B N 1
1699
+ ATOM 942 C CA . VAL B 1 162 ? -5.563 25.182 1.804 1.00 16.44 ? 44 VAL B CA 1
1700
+ ATOM 943 C C . VAL B 1 162 ? -4.235 24.450 1.923 1.00 20.09 ? 44 VAL B C 1
1701
+ ATOM 944 O O . VAL B 1 162 ? -3.278 24.950 2.539 1.00 27.01 ? 44 VAL B O 1
1702
+ ATOM 945 C CB . VAL B 1 162 ? -5.329 26.522 1.074 1.00 22.14 ? 44 VAL B CB 1
1703
+ ATOM 946 C CG1 . VAL B 1 162 ? -4.997 26.275 -0.394 1.00 17.51 ? 44 VAL B CG1 1
1704
+ ATOM 947 C CG2 . VAL B 1 162 ? -6.545 27.477 1.230 1.00 16.34 ? 44 VAL B CG2 1
1705
+ ATOM 948 N N . ASP B 1 163 ? -4.171 23.248 1.374 1.00 15.93 ? 45 ASP B N 1
1706
+ ATOM 949 C CA . ASP B 1 163 ? -2.882 22.556 1.336 1.00 27.78 ? 45 ASP B CA 1
1707
+ ATOM 950 C C . ASP B 1 163 ? -2.231 22.759 -0.040 1.00 26.07 ? 45 ASP B C 1
1708
+ ATOM 951 O O . ASP B 1 163 ? -2.859 22.550 -1.088 1.00 26.50 ? 45 ASP B O 1
1709
+ ATOM 952 C CB . ASP B 1 163 ? -3.027 21.084 1.730 1.00 21.12 ? 45 ASP B CB 1
1710
+ ATOM 953 C CG . ASP B 1 163 ? -3.656 20.921 3.105 1.00 39.96 ? 45 ASP B CG 1
1711
+ ATOM 954 O OD1 . ASP B 1 163 ? -3.123 21.491 4.092 1.00 35.78 ? 45 ASP B OD1 1
1712
+ ATOM 955 O OD2 . ASP B 1 163 ? -4.711 20.256 3.188 1.00 45.15 ? 45 ASP B OD2 1
1713
+ ATOM 956 N N . LEU B 1 164 ? -0.987 23.222 -0.025 1.00 25.63 ? 46 LEU B N 1
1714
+ ATOM 957 C CA . LEU B 1 164 ? -0.276 23.535 -1.258 1.00 26.43 ? 46 LEU B CA 1
1715
+ ATOM 958 C C . LEU B 1 164 ? 0.723 22.433 -1.526 1.00 28.18 ? 46 LEU B C 1
1716
+ ATOM 959 O O . LEU B 1 164 ? 1.776 22.382 -0.891 1.00 26.44 ? 46 LEU B O 1
1717
+ ATOM 960 C CB . LEU B 1 164 ? 0.455 24.879 -1.157 1.00 21.89 ? 46 LEU B CB 1
1718
+ ATOM 961 C CG . LEU B 1 164 ? -0.364 26.179 -1.025 1.00 22.52 ? 46 LEU B CG 1
1719
+ ATOM 962 C CD1 . LEU B 1 164 ? -1.035 26.309 0.334 1.00 22.28 ? 46 LEU B CD1 1
1720
+ ATOM 963 C CD2 . LEU B 1 164 ? 0.510 27.382 -1.256 1.00 21.44 ? 46 LEU B CD2 1
1721
+ ATOM 964 N N . HIS B 1 165 ? 0.390 21.556 -2.472 1.00 26.40 ? 47 HIS B N 1
1722
+ ATOM 965 C CA . HIS B 1 165 ? 1.263 20.448 -2.838 1.00 20.23 ? 47 HIS B CA 1
1723
+ ATOM 966 C C . HIS B 1 165 ? 2.245 20.884 -3.920 1.00 19.86 ? 47 HIS B C 1
1724
+ ATOM 967 O O . HIS B 1 165 ? 1.836 21.348 -4.985 1.00 22.17 ? 47 HIS B O 1
1725
+ ATOM 968 C CB . HIS B 1 165 ? 0.443 19.244 -3.327 1.00 21.63 ? 47 HIS B CB 1
1726
+ ATOM 969 C CG . HIS B 1 165 ? -0.399 18.609 -2.268 1.00 32.80 ? 47 HIS B CG 1
1727
+ ATOM 970 N ND1 . HIS B 1 165 ? -0.908 19.313 -1.198 1.00 35.56 ? 47 HIS B ND1 1
1728
+ ATOM 971 C CD2 . HIS B 1 165 ? -0.821 17.332 -2.110 1.00 40.32 ? 47 HIS B CD2 1
1729
+ ATOM 972 C CE1 . HIS B 1 165 ? -1.613 18.501 -0.431 1.00 36.09 ? 47 HIS B CE1 1
1730
+ ATOM 973 N NE2 . HIS B 1 165 ? -1.574 17.290 -0.963 1.00 38.75 ? 47 HIS B NE2 1
1731
+ ATOM 974 N N . PHE B 1 166 ? 3.536 20.714 -3.631 1.00 26.93 ? 48 PHE B N 1
1732
+ ATOM 975 C CA . PHE B 1 166 ? 4.618 21.116 -4.520 1.00 28.49 ? 48 PHE B CA 1
1733
+ ATOM 976 C C . PHE B 1 166 ? 5.261 19.921 -5.221 1.00 38.48 ? 48 PHE B C 1
1734
+ ATOM 977 O O . PHE B 1 166 ? 5.617 18.929 -4.577 1.00 43.38 ? 48 PHE B O 1
1735
+ ATOM 978 C CB . PHE B 1 166 ? 5.698 21.822 -3.719 1.00 22.92 ? 48 PHE B CB 1
1736
+ ATOM 979 C CG . PHE B 1 166 ? 5.366 23.242 -3.359 1.00 27.18 ? 48 PHE B CG 1
1737
+ ATOM 980 C CD1 . PHE B 1 166 ? 4.411 23.524 -2.394 1.00 24.57 ? 48 PHE B CD1 1
1738
+ ATOM 981 C CD2 . PHE B 1 166 ? 6.041 24.298 -3.960 1.00 19.18 ? 48 PHE B CD2 1
1739
+ ATOM 982 C CE1 . PHE B 1 166 ? 4.120 24.834 -2.056 1.00 24.93 ? 48 PHE B CE1 1
1740
+ ATOM 983 C CE2 . PHE B 1 166 ? 5.762 25.608 -3.624 1.00 17.92 ? 48 PHE B CE2 1
1741
+ ATOM 984 C CZ . PHE B 1 166 ? 4.796 25.873 -2.674 1.00 22.81 ? 48 PHE B CZ 1
1742
+ ATOM 985 N N . THR B 1 167 ? 5.441 20.031 -6.533 1.00 32.04 ? 49 THR B N 1
1743
+ ATOM 986 C CA . THR B 1 167 ? 6.053 18.967 -7.325 1.00 23.63 ? 49 THR B CA 1
1744
+ ATOM 987 C C . THR B 1 167 ? 7.209 19.552 -8.114 1.00 16.14 ? 49 THR B C 1
1745
+ ATOM 988 O O . THR B 1 167 ? 6.991 20.330 -9.031 1.00 24.87 ? 49 THR B O 1
1746
+ ATOM 989 C CB . THR B 1 167 ? 5.039 18.375 -8.323 1.00 28.58 ? 49 THR B CB 1
1747
+ ATOM 990 O OG1 . THR B 1 167 ? 3.887 17.900 -7.622 1.00 28.49 ? 49 THR B OG1 1
1748
+ ATOM 991 C CG2 . THR B 1 167 ? 5.665 17.246 -9.129 1.00 29.29 ? 49 THR B CG2 1
1749
+ ATOM 992 N N . ASN B 1 168 ? 8.435 19.200 -7.749 1.00 24.09 ? 50 ASN B N 1
1750
+ ATOM 993 C CA . ASN B 1 168 ? 9.618 19.693 -8.451 1.00 22.10 ? 50 ASN B CA 1
1751
+ ATOM 994 C C . ASN B 1 168 ? 9.637 19.196 -9.888 1.00 25.89 ? 50 ASN B C 1
1752
+ ATOM 995 O O . ASN B 1 168 ? 9.723 17.995 -10.128 1.00 30.83 ? 50 ASN B O 1
1753
+ ATOM 996 C CB . ASN B 1 168 ? 10.900 19.251 -7.729 1.00 23.54 ? 50 ASN B CB 1
1754
+ ATOM 997 C CG . ASN B 1 168 ? 12.172 19.889 -8.318 1.00 32.19 ? 50 ASN B CG 1
1755
+ ATOM 998 O OD1 . ASN B 1 168 ? 12.261 20.151 -9.518 1.00 30.06 ? 50 ASN B OD1 1
1756
+ ATOM 999 N ND2 . ASN B 1 168 ? 13.153 20.143 -7.459 1.00 37.34 ? 50 ASN B ND2 1
1757
+ ATOM 1000 N N . LEU B 1 169 ? 9.559 20.114 -10.846 1.00 25.70 ? 51 LEU B N 1
1758
+ ATOM 1001 C CA . LEU B 1 169 ? 9.544 19.718 -12.258 1.00 30.25 ? 51 LEU B CA 1
1759
+ ATOM 1002 C C . LEU B 1 169 ? 10.902 19.843 -12.968 1.00 31.10 ? 51 LEU B C 1
1760
+ ATOM 1003 O O . LEU B 1 169 ? 10.971 19.726 -14.183 1.00 29.92 ? 51 LEU B O 1
1761
+ ATOM 1004 C CB . LEU B 1 169 ? 8.463 20.485 -13.032 1.00 29.82 ? 51 LEU B CB 1
1762
+ ATOM 1005 C CG . LEU B 1 169 ? 7.013 20.298 -12.560 1.00 29.74 ? 51 LEU B CG 1
1763
+ ATOM 1006 C CD1 . LEU B 1 169 ? 6.108 21.312 -13.231 1.00 22.37 ? 51 LEU B CD1 1
1764
+ ATOM 1007 C CD2 . LEU B 1 169 ? 6.538 18.893 -12.852 1.00 30.11 ? 51 LEU B CD2 1
1765
+ ATOM 1008 N N . GLY B 1 170 ? 11.975 20.067 -12.214 1.00 32.26 ? 52 GLY B N 1
1766
+ ATOM 1009 C CA . GLY B 1 170 ? 13.289 20.207 -12.809 1.00 29.08 ? 52 GLY B CA 1
1767
+ ATOM 1010 C C . GLY B 1 170 ? 13.615 21.624 -13.232 1.00 30.85 ? 52 GLY B C 1
1768
+ ATOM 1011 O O . GLY B 1 170 ? 13.525 22.551 -12.433 1.00 41.19 ? 52 GLY B O 1
1769
+ ATOM 1012 N N . THR B 1 171 ? 13.996 21.791 -14.493 1.00 40.31 ? 53 THR B N 1
1770
+ ATOM 1013 C CA . THR B 1 171 ? 14.427 23.094 -15.032 1.00 40.69 ? 53 THR B CA 1
1771
+ ATOM 1014 C C . THR B 1 171 ? 13.259 23.980 -15.492 1.00 37.26 ? 53 THR B C 1
1772
+ ATOM 1015 O O . THR B 1 171 ? 12.239 23.454 -15.954 1.00 22.98 ? 53 THR B O 1
1773
+ ATOM 1016 C CB . THR B 1 171 ? 15.349 22.880 -16.238 1.00 38.40 ? 53 THR B CB 1
1774
+ ATOM 1017 O OG1 . THR B 1 171 ? 14.914 21.713 -16.947 1.00 41.25 ? 53 THR B OG1 1
1775
+ ATOM 1018 C CG2 . THR B 1 171 ? 16.795 22.673 -15.783 1.00 38.23 ? 53 THR B CG2 1
1776
+ ATOM 1019 N N . PRO B 1 172 ? 13.413 25.324 -15.386 1.00 44.93 ? 54 PRO B N 1
1777
+ ATOM 1020 C CA . PRO B 1 172 ? 12.403 26.270 -15.889 1.00 38.32 ? 54 PRO B CA 1
1778
+ ATOM 1021 C C . PRO B 1 172 ? 12.039 25.897 -17.315 1.00 34.98 ? 54 PRO B C 1
1779
+ ATOM 1022 O O . PRO B 1 172 ? 12.920 25.454 -18.038 1.00 35.16 ? 54 PRO B O 1
1780
+ ATOM 1023 C CB . PRO B 1 172 ? 13.117 27.638 -15.833 1.00 33.48 ? 54 PRO B CB 1
1781
+ ATOM 1024 C CG . PRO B 1 172 ? 14.570 27.332 -15.628 1.00 42.77 ? 54 PRO B CG 1
1782
+ ATOM 1025 C CD . PRO B 1 172 ? 14.606 26.031 -14.878 1.00 47.66 ? 54 PRO B CD 1
1783
+ ATOM 1026 N N . PRO B 1 173 ? 10.759 26.055 -17.695 1.00 33.11 ? 55 PRO B N 1
1784
+ ATOM 1027 C CA . PRO B 1 173 ? 10.147 25.391 -18.861 1.00 27.53 ? 55 PRO B CA 1
1785
+ ATOM 1028 C C . PRO B 1 173 ? 10.644 25.800 -20.251 1.00 28.03 ? 55 PRO B C 1
1786
+ ATOM 1029 O O . PRO B 1 173 ? 10.352 25.085 -21.207 1.00 30.54 ? 55 PRO B O 1
1787
+ ATOM 1030 C CB . PRO B 1 173 ? 8.651 25.712 -18.708 1.00 27.46 ? 55 PRO B CB 1
1788
+ ATOM 1031 C CG . PRO B 1 173 ? 8.625 26.976 -17.924 1.00 32.95 ? 55 PRO B CG 1
1789
+ ATOM 1032 C CD . PRO B 1 173 ? 9.795 26.904 -16.974 1.00 30.50 ? 55 PRO B CD 1
1790
+ ATOM 1033 N N . LEU B 1 174 ? 11.363 26.908 -20.386 1.00 28.63 ? 56 LEU B N 1
1791
+ ATOM 1034 C CA . LEU B 1 174 ? 11.888 27.262 -21.699 1.00 28.28 ? 56 LEU B CA 1
1792
+ ATOM 1035 C C . LEU B 1 174 ? 13.391 26.945 -21.798 1.00 32.24 ? 56 LEU B C 1
1793
+ ATOM 1036 O O . LEU B 1 174 ? 14.227 27.610 -21.190 1.00 37.05 ? 56 LEU B O 1
1794
+ ATOM 1037 C CB . LEU B 1 174 ? 11.574 28.723 -22.064 1.00 25.36 ? 56 LEU B CB 1
1795
+ ATOM 1038 C CG . LEU B 1 174 ? 12.003 29.147 -23.475 1.00 33.88 ? 56 LEU B CG 1
1796
+ ATOM 1039 C CD1 . LEU B 1 174 ? 11.373 28.236 -24.523 1.00 37.72 ? 56 LEU B CD1 1
1797
+ ATOM 1040 C CD2 . LEU B 1 174 ? 11.654 30.600 -23.768 1.00 36.66 ? 56 LEU B CD2 1
1798
+ ATOM 1041 N N . ASP B 1 175 ? 13.727 25.911 -22.562 1.00 32.88 ? 57 ASP B N 1
1799
+ ATOM 1042 C CA . ASP B 1 175 ? 15.125 25.500 -22.679 1.00 36.65 ? 57 ASP B CA 1
1800
+ ATOM 1043 C C . ASP B 1 175 ? 15.896 26.379 -23.667 1.00 40.45 ? 57 ASP B C 1
1801
+ ATOM 1044 O O . ASP B 1 175 ? 15.317 27.235 -24.333 1.00 34.23 ? 57 ASP B O 1
1802
+ ATOM 1045 C CB . ASP B 1 175 ? 15.260 23.992 -23.006 1.00 29.42 ? 57 ASP B CB 1
1803
+ ATOM 1046 C CG . ASP B 1 175 ? 14.734 23.611 -24.408 1.00 34.06 ? 57 ASP B CG 1
1804
+ ATOM 1047 O OD1 . ASP B 1 175 ? 14.670 24.464 -25.333 1.00 27.66 ? 57 ASP B OD1 1
1805
+ ATOM 1048 O OD2 . ASP B 1 175 ? 14.403 22.418 -24.592 1.00 34.59 ? 57 ASP B OD2 1
1806
+ ATOM 1049 N N . GLU B 1 176 ? 17.198 26.147 -23.779 1.00 50.10 ? 58 GLU B N 1
1807
+ ATOM 1050 C CA . GLU B 1 176 ? 18.052 27.007 -24.587 1.00 63.18 ? 58 GLU B CA 1
1808
+ ATOM 1051 C C . GLU B 1 176 ? 17.979 26.691 -26.073 1.00 61.17 ? 58 GLU B C 1
1809
+ ATOM 1052 O O . GLU B 1 176 ? 18.924 26.967 -26.811 1.00 66.77 ? 58 GLU B O 1
1810
+ ATOM 1053 C CB . GLU B 1 176 ? 19.504 26.907 -24.108 1.00 76.54 ? 58 GLU B CB 1
1811
+ ATOM 1054 C CG . GLU B 1 176 ? 19.779 27.611 -22.777 1.00 85.33 ? 58 GLU B CG 1
1812
+ ATOM 1055 C CD . GLU B 1 176 ? 20.261 29.044 -22.957 1.00 94.45 ? 58 GLU B CD 1
1813
+ ATOM 1056 O OE1 . GLU B 1 176 ? 19.421 29.939 -23.207 1.00 95.76 ? 58 GLU B OE1 1
1814
+ ATOM 1057 O OE2 . GLU B 1 176 ? 21.485 29.274 -22.852 1.00 98.71 ? 58 GLU B OE2 1
1815
+ ATOM 1058 N N . ASP B 1 177 ? 16.855 26.142 -26.518 1.00 57.32 ? 59 ASP B N 1
1816
+ ATOM 1059 C CA . ASP B 1 177 ? 16.786 25.584 -27.870 1.00 57.61 ? 59 ASP B CA 1
1817
+ ATOM 1060 C C . ASP B 1 177 ? 15.770 26.053 -28.944 1.00 41.58 ? 59 ASP B C 1
1818
+ ATOM 1061 O O . ASP B 1 177 ? 16.012 25.782 -30.131 1.00 52.45 ? 59 ASP B O 1
1819
+ ATOM 1062 C CB . ASP B 1 177 ? 16.827 24.053 -27.818 1.00 69.71 ? 59 ASP B CB 1
1820
+ ATOM 1063 C CG . ASP B 1 177 ? 18.231 23.522 -27.605 1.00 80.89 ? 59 ASP B CG 1
1821
+ ATOM 1064 O OD1 . ASP B 1 177 ? 19.198 24.237 -27.952 1.00 80.53 ? 59 ASP B OD1 1
1822
+ ATOM 1065 O OD2 . ASP B 1 177 ? 18.365 22.390 -27.092 1.00 86.50 ? 59 ASP B OD2 1
1823
+ ATOM 1066 N N . GLY B 1 178 ? 14.652 26.702 -28.621 1.00 33.55 ? 60 GLY B N 1
1824
+ ATOM 1067 C CA . GLY B 1 178 ? 14.096 26.902 -27.306 1.00 32.59 ? 60 GLY B CA 1
1825
+ ATOM 1068 C C . GLY B 1 178 ? 12.752 26.202 -27.322 1.00 36.91 ? 60 GLY B C 1
1826
+ ATOM 1069 O O . GLY B 1 178 ? 11.769 26.707 -27.863 1.00 28.31 ? 60 GLY B O 1
1827
+ ATOM 1070 N N . ARG B 1 179 ? 12.740 24.998 -26.764 1.00 37.92 ? 61 ARG B N 1
1828
+ ATOM 1071 C CA . ARG B 1 179 ? 11.545 24.175 -26.708 1.00 36.87 ? 61 ARG B CA 1
1829
+ ATOM 1072 C C . ARG B 1 179 ? 10.938 24.270 -25.322 1.00 31.14 ? 61 ARG B C 1
1830
+ ATOM 1073 O O . ARG B 1 179 ? 11.653 24.452 -24.328 1.00 24.48 ? 61 ARG B O 1
1831
+ ATOM 1074 C CB . ARG B 1 179 ? 11.877 22.715 -27.031 1.00 42.53 ? 61 ARG B CB 1
1832
+ ATOM 1075 C CG . ARG B 1 179 ? 11.920 22.373 -28.508 1.00 42.90 ? 61 ARG B CG 1
1833
+ ATOM 1076 C CD . ARG B 1 179 ? 12.395 20.935 -28.720 1.00 52.84 ? 61 ARG B CD 1
1834
+ ATOM 1077 N NE . ARG B 1 179 ? 13.830 20.786 -28.477 1.00 55.52 ? 61 ARG B NE 1
1835
+ ATOM 1078 C CZ . ARG B 1 179 ? 14.736 20.620 -29.436 1.00 54.60 ? 61 ARG B CZ 1
1836
+ ATOM 1079 N NH1 . ARG B 1 179 ? 14.357 20.569 -30.711 1.00 46.84 ? 61 ARG B NH1 1
1837
+ ATOM 1080 N NH2 . ARG B 1 179 ? 16.023 20.497 -29.122 1.00 54.35 ? 61 ARG B NH2 1
1838
+ ATOM 1081 N N . TRP B 1 180 ? 9.618 24.133 -25.270 1.00 25.25 ? 62 TRP B N 1
1839
+ ATOM 1082 C CA . TRP B 1 180 ? 8.851 24.271 -24.038 1.00 24.63 ? 62 TRP B CA 1
1840
+ ATOM 1083 C C . TRP B 1 180 ? 8.613 22.928 -23.357 1.00 29.75 ? 62 TRP B C 1
1841
+ ATOM 1084 O O . TRP B 1 180 ? 8.387 21.915 -24.020 1.00 33.36 ? 62 TRP B O 1
1842
+ ATOM 1085 C CB . TRP B 1 180 ? 7.505 24.953 -24.332 1.00 32.43 ? 62 TRP B CB 1
1843
+ ATOM 1086 C CG . TRP B 1 180 ? 7.621 26.417 -24.682 1.00 33.47 ? 62 TRP B CG 1
1844
+ ATOM 1087 C CD1 . TRP B 1 180 ? 7.656 26.971 -25.937 1.00 31.42 ? 62 TRP B CD1 1
1845
+ ATOM 1088 C CD2 . TRP B 1 180 ? 7.729 27.510 -23.758 1.00 23.91 ? 62 TRP B CD2 1
1846
+ ATOM 1089 N NE1 . TRP B 1 180 ? 7.777 28.348 -25.845 1.00 28.69 ? 62 TRP B NE1 1
1847
+ ATOM 1090 C CE2 . TRP B 1 180 ? 7.823 28.698 -24.519 1.00 29.13 ? 62 TRP B CE2 1
1848
+ ATOM 1091 C CE3 . TRP B 1 180 ? 7.751 27.601 -22.362 1.00 27.01 ? 62 TRP B CE3 1
1849
+ ATOM 1092 C CZ2 . TRP B 1 180 ? 7.932 29.953 -23.930 1.00 26.66 ? 62 TRP B CZ2 1
1850
+ ATOM 1093 C CZ3 . TRP B 1 180 ? 7.863 28.852 -21.779 1.00 28.85 ? 62 TRP B CZ3 1
1851
+ ATOM 1094 C CH2 . TRP B 1 180 ? 7.953 30.010 -22.564 1.00 26.31 ? 62 TRP B CH2 1
1852
+ ATOM 1095 N N . ASP B 1 181 ? 8.692 22.926 -22.028 1.00 29.63 ? 63 ASP B N 1
1853
+ ATOM 1096 C CA . ASP B 1 181 ? 8.319 21.771 -21.218 1.00 25.61 ? 63 ASP B CA 1
1854
+ ATOM 1097 C C . ASP B 1 181 ? 6.788 21.589 -21.290 1.00 26.41 ? 63 ASP B C 1
1855
+ ATOM 1098 O O . ASP B 1 181 ? 6.041 22.475 -20.896 1.00 27.33 ? 63 ASP B O 1
1856
+ ATOM 1099 C CB . ASP B 1 181 ? 8.738 22.026 -19.768 1.00 23.91 ? 63 ASP B CB 1
1857
+ ATOM 1100 C CG . ASP B 1 181 ? 8.608 20.796 -18.900 1.00 32.59 ? 63 ASP B CG 1
1858
+ ATOM 1101 O OD1 . ASP B 1 181 ? 8.061 19.791 -19.396 1.00 35.95 ? 63 ASP B OD1 1
1859
+ ATOM 1102 O OD2 . ASP B 1 181 ? 9.072 20.818 -17.731 1.00 36.43 ? 63 ASP B OD2 1
1860
+ ATOM 1103 N N . PRO B 1 182 ? 6.319 20.440 -21.793 1.00 28.70 ? 64 PRO B N 1
1861
+ ATOM 1104 C CA . PRO B 1 182 ? 4.868 20.190 -21.867 1.00 30.19 ? 64 PRO B CA 1
1862
+ ATOM 1105 C C . PRO B 1 182 ? 4.178 20.113 -20.494 1.00 29.21 ? 64 PRO B C 1
1863
+ ATOM 1106 O O . PRO B 1 182 ? 2.950 20.129 -20.411 1.00 26.63 ? 64 PRO B O 1
1864
+ ATOM 1107 C CB . PRO B 1 182 ? 4.778 18.839 -22.591 1.00 35.54 ? 64 PRO B CB 1
1865
+ ATOM 1108 C CG . PRO B 1 182 ? 6.137 18.213 -22.418 1.00 36.27 ? 64 PRO B CG 1
1866
+ ATOM 1109 C CD . PRO B 1 182 ? 7.106 19.354 -22.403 1.00 30.54 ? 64 PRO B CD 1
1867
+ ATOM 1110 N N . ALA B 1 183 ? 4.973 20.030 -19.430 1.00 22.49 ? 65 ALA B N 1
1868
+ ATOM 1111 C CA . ALA B 1 183 ? 4.458 20.025 -18.066 1.00 31.11 ? 65 ALA B CA 1
1869
+ ATOM 1112 C C . ALA B 1 183 ? 3.754 21.338 -17.708 1.00 34.02 ? 65 ALA B C 1
1870
+ ATOM 1113 O O . ALA B 1 183 ? 2.856 21.359 -16.850 1.00 20.61 ? 65 ALA B O 1
1871
+ ATOM 1114 C CB . ALA B 1 183 ? 5.598 19.772 -17.088 1.00 19.47 ? 65 ALA B CB 1
1872
+ ATOM 1115 N N . LEU B 1 184 ? 4.183 22.424 -18.352 1.00 32.52 ? 66 LEU B N 1
1873
+ ATOM 1116 C CA . LEU B 1 184 ? 3.695 23.767 -18.036 1.00 29.40 ? 66 LEU B CA 1
1874
+ ATOM 1117 C C . LEU B 1 184 ? 2.235 23.922 -18.447 1.00 25.62 ? 66 LEU B C 1
1875
+ ATOM 1118 O O . LEU B 1 184 ? 1.893 23.753 -19.613 1.00 21.06 ? 66 LEU B O 1
1876
+ ATOM 1119 C CB . LEU B 1 184 ? 4.560 24.825 -18.721 1.00 19.63 ? 66 LEU B CB 1
1877
+ ATOM 1120 C CG . LEU B 1 184 ? 4.151 26.287 -18.475 1.00 33.35 ? 66 LEU B CG 1
1878
+ ATOM 1121 C CD1 . LEU B 1 184 ? 4.328 26.719 -17.000 1.00 24.11 ? 66 LEU B CD1 1
1879
+ ATOM 1122 C CD2 . LEU B 1 184 ? 4.900 27.217 -19.406 1.00 20.21 ? 66 LEU B CD2 1
1880
+ ATOM 1123 N N . MET B 1 185 ? 1.388 24.241 -17.470 1.00 24.62 ? 67 MET B N 1
1881
+ ATOM 1124 C CA . MET B 1 185 ? -0.055 24.407 -17.678 1.00 31.72 ? 67 MET B CA 1
1882
+ ATOM 1125 C C . MET B 1 185 ? -0.748 23.121 -18.122 1.00 26.99 ? 67 MET B C 1
1883
+ ATOM 1126 O O . MET B 1 185 ? -1.855 23.152 -18.649 1.00 21.87 ? 67 MET B O 1
1884
+ ATOM 1127 C CB . MET B 1 185 ? -0.363 25.548 -18.656 1.00 33.43 ? 67 MET B CB 1
1885
+ ATOM 1128 C CG . MET B 1 185 ? -0.150 26.943 -18.081 1.00 35.40 ? 67 MET B CG 1
1886
+ ATOM 1129 S SD . MET B 1 185 ? -0.401 28.246 -19.323 1.00 31.38 ? 67 MET B SD 1
1887
+ ATOM 1130 C CE . MET B 1 185 ? 1.007 27.963 -20.396 1.00 23.10 ? 67 MET B CE 1
1888
+ ATOM 1131 N N . TYR B 1 186 ? -0.087 21.995 -17.887 1.00 26.99 ? 68 TYR B N 1
1889
+ ATOM 1132 C CA . TYR B 1 186 ? -0.638 20.700 -18.251 1.00 30.21 ? 68 TYR B CA 1
1890
+ ATOM 1133 C C . TYR B 1 186 ? -1.500 20.115 -17.144 1.00 29.97 ? 68 TYR B C 1
1891
+ ATOM 1134 O O . TYR B 1 186 ? -1.121 20.138 -15.974 1.00 20.28 ? 68 TYR B O 1
1892
+ ATOM 1135 C CB . TYR B 1 186 ? 0.492 19.733 -18.571 1.00 35.98 ? 68 TYR B CB 1
1893
+ ATOM 1136 C CG . TYR B 1 186 ? 0.050 18.304 -18.790 1.00 40.86 ? 68 TYR B CG 1
1894
+ ATOM 1137 C CD1 . TYR B 1 186 ? -0.544 17.915 -19.991 1.00 47.34 ? 68 TYR B CD1 1
1895
+ ATOM 1138 C CD2 . TYR B 1 186 ? 0.251 17.336 -17.805 1.00 36.81 ? 68 TYR B CD2 1
1896
+ ATOM 1139 C CE1 . TYR B 1 186 ? -0.945 16.597 -20.202 1.00 50.55 ? 68 TYR B CE1 1
1897
+ ATOM 1140 C CE2 . TYR B 1 186 ? -0.150 16.022 -18.007 1.00 43.66 ? 68 TYR B CE2 1
1898
+ ATOM 1141 C CZ . TYR B 1 186 ? -0.746 15.660 -19.204 1.00 50.78 ? 68 TYR B CZ 1
1899
+ ATOM 1142 O OH . TYR B 1 186 ? -1.141 14.361 -19.400 1.00 59.01 ? 68 TYR B OH 1
1900
+ ATOM 1143 N N . ASN B 1 187 ? -2.661 19.596 -17.530 1.00 22.41 ? 69 ASN B N 1
1901
+ ATOM 1144 C CA . ASN B 1 187 ? -3.496 18.804 -16.626 1.00 29.43 ? 69 ASN B CA 1
1902
+ ATOM 1145 C C . ASN B 1 187 ? -3.774 19.485 -15.269 1.00 23.02 ? 69 ASN B C 1
1903
+ ATOM 1146 O O . ASN B 1 187 ? -3.403 18.968 -14.208 1.00 22.01 ? 69 ASN B O 1
1904
+ ATOM 1147 C CB . ASN B 1 187 ? -2.865 17.413 -16.437 1.00 26.97 ? 69 ASN B CB 1
1905
+ ATOM 1148 C CG . ASN B 1 187 ? -3.770 16.446 -15.696 1.00 40.28 ? 69 ASN B CG 1
1906
+ ATOM 1149 O OD1 . ASN B 1 187 ? -4.975 16.387 -15.940 1.00 42.10 ? 69 ASN B OD1 1
1907
+ ATOM 1150 N ND2 . ASN B 1 187 ? -3.188 15.685 -14.772 1.00 45.75 ? 69 ASN B ND2 1
1908
+ ATOM 1151 N N . PRO B 1 188 ? -4.427 20.658 -15.302 1.00 23.99 ? 70 PRO B N 1
1909
+ ATOM 1152 C CA . PRO B 1 188 ? -4.682 21.407 -14.066 1.00 25.97 ? 70 PRO B CA 1
1910
+ ATOM 1153 C C . PRO B 1 188 ? -5.685 20.665 -13.199 1.00 26.54 ? 70 PRO B C 1
1911
+ ATOM 1154 O O . PRO B 1 188 ? -6.608 20.073 -13.750 1.00 25.52 ? 70 PRO B O 1
1912
+ ATOM 1155 C CB . PRO B 1 188 ? -5.308 22.704 -14.574 1.00 21.27 ? 70 PRO B CB 1
1913
+ ATOM 1156 C CG . PRO B 1 188 ? -5.984 22.295 -15.846 1.00 29.05 ? 70 PRO B CG 1
1914
+ ATOM 1157 C CD . PRO B 1 188 ? -5.046 21.305 -16.471 1.00 26.19 ? 70 PRO B CD 1
1915
+ ATOM 1158 N N . CYS B 1 189 ? -5.517 20.703 -11.879 1.00 22.59 ? 71 CYS B N 1
1916
+ ATOM 1159 C CA . CYS B 1 189 ? -6.394 19.937 -10.995 1.00 32.94 ? 71 CYS B CA 1
1917
+ ATOM 1160 C C . CYS B 1 189 ? -7.795 20.551 -10.928 1.00 27.42 ? 71 CYS B C 1
1918
+ ATOM 1161 O O . CYS B 1 189 ? -7.994 21.718 -11.277 1.00 29.96 ? 71 CYS B O 1
1919
+ ATOM 1162 C CB . CYS B 1 189 ? -5.778 19.788 -9.591 1.00 32.85 ? 71 CYS B CB 1
1920
+ ATOM 1163 S SG . CYS B 1 189 ? -5.662 21.311 -8.639 1.00 181.90 ? 71 CYS B SG 1
1921
+ ATOM 1164 N N . GLY B 1 190 ? -8.765 19.760 -10.494 1.00 24.43 ? 72 GLY B N 1
1922
+ ATOM 1165 C CA . GLY B 1 190 ? -10.123 20.265 -10.335 1.00 34.60 ? 72 GLY B CA 1
1923
+ ATOM 1166 C C . GLY B 1 190 ? -10.984 19.468 -9.361 1.00 32.54 ? 72 GLY B C 1
1924
+ ATOM 1167 O O . GLY B 1 190 ? -10.504 18.512 -8.744 1.00 25.19 ? 72 GLY B O 1
1925
+ ATOM 1168 N N . PRO B 1 191 ? -12.249 19.885 -9.176 1.00 39.68 ? 73 PRO B N 1
1926
+ ATOM 1169 C CA . PRO B 1 191 ? -12.818 21.127 -9.703 1.00 38.58 ? 73 PRO B CA 1
1927
+ ATOM 1170 C C . PRO B 1 191 ? -12.284 22.350 -8.964 1.00 29.41 ? 73 PRO B C 1
1928
+ ATOM 1171 O O . PRO B 1 191 ? -11.720 22.254 -7.863 1.00 26.37 ? 73 PRO B O 1
1929
+ ATOM 1172 C CB . PRO B 1 191 ? -14.314 20.971 -9.405 1.00 39.09 ? 73 PRO B CB 1
1930
+ ATOM 1173 C CG . PRO B 1 191 ? -14.339 20.147 -8.178 1.00 41.89 ? 73 PRO B CG 1
1931
+ ATOM 1174 C CD . PRO B 1 191 ? -13.253 19.126 -8.408 1.00 41.41 ? 73 PRO B CD 1
1932
+ ATOM 1175 N N . GLU B 1 192 ? -12.469 23.512 -9.570 1.00 31.01 ? 74 GLU B N 1
1933
+ ATOM 1176 C CA . GLU B 1 192 ? -11.949 24.724 -8.971 1.00 34.21 ? 74 GLU B CA 1
1934
+ ATOM 1177 C C . GLU B 1 192 ? -12.875 25.281 -7.894 1.00 30.94 ? 74 GLU B C 1
1935
+ ATOM 1178 O O . GLU B 1 192 ? -14.097 25.075 -7.939 1.00 28.91 ? 74 GLU B O 1
1936
+ ATOM 1179 C CB . GLU B 1 192 ? -11.594 25.754 -10.047 1.00 43.12 ? 74 GLU B CB 1
1937
+ ATOM 1180 C CG . GLU B 1 192 ? -10.346 25.354 -10.840 1.00 41.72 ? 74 GLU B CG 1
1938
+ ATOM 1181 C CD . GLU B 1 192 ? -10.067 26.261 -12.030 1.00 45.43 ? 74 GLU B CD 1
1939
+ ATOM 1182 O OE1 . GLU B 1 192 ? -10.849 27.209 -12.286 1.00 34.21 ? 74 GLU B OE1 1
1940
+ ATOM 1183 O OE2 . GLU B 1 192 ? -9.048 26.015 -12.713 1.00 47.54 ? 74 GLU B OE2 1
1941
+ ATOM 1184 N N . PRO B 1 193 ? -12.279 25.935 -6.878 1.00 33.58 ? 75 PRO B N 1
1942
+ ATOM 1185 C CA . PRO B 1 193 ? -13.076 26.600 -5.841 1.00 30.95 ? 75 PRO B CA 1
1943
+ ATOM 1186 C C . PRO B 1 193 ? -13.882 27.729 -6.459 1.00 32.74 ? 75 PRO B C 1
1944
+ ATOM 1187 O O . PRO B 1 193 ? -13.569 28.153 -7.571 1.00 25.87 ? 75 PRO B O 1
1945
+ ATOM 1188 C CB . PRO B 1 193 ? -12.028 27.127 -4.843 1.00 28.33 ? 75 PRO B CB 1
1946
+ ATOM 1189 C CG . PRO B 1 193 ? -10.693 26.927 -5.476 1.00 30.72 ? 75 PRO B CG 1
1947
+ ATOM 1190 C CD . PRO B 1 193 ? -10.841 25.887 -6.546 1.00 33.01 ? 75 PRO B CD 1
1948
+ ATOM 1191 N N . PRO B 1 194 ? -14.936 28.185 -5.769 1.00 39.79 ? 76 PRO B N 1
1949
+ ATOM 1192 C CA . PRO B 1 194 ? -15.763 29.302 -6.244 1.00 35.67 ? 76 PRO B CA 1
1950
+ ATOM 1193 C C . PRO B 1 194 ? -14.949 30.580 -6.438 1.00 30.47 ? 76 PRO B C 1
1951
+ ATOM 1194 O O . PRO B 1 194 ? -13.974 30.797 -5.713 1.00 35.34 ? 76 PRO B O 1
1952
+ ATOM 1195 C CB . PRO B 1 194 ? -16.784 29.483 -5.122 1.00 41.88 ? 76 PRO B CB 1
1953
+ ATOM 1196 C CG . PRO B 1 194 ? -16.227 28.760 -3.955 1.00 41.84 ? 76 PRO B CG 1
1954
+ ATOM 1197 C CD . PRO B 1 194 ? -15.441 27.630 -4.506 1.00 43.25 ? 76 PRO B CD 1
1955
+ ATOM 1198 N N . ALA B 1 195 ? -15.353 31.407 -7.400 1.00 32.04 ? 77 ALA B N 1
1956
+ ATOM 1199 C CA . ALA B 1 195 ? -14.576 32.576 -7.827 1.00 37.71 ? 77 ALA B CA 1
1957
+ ATOM 1200 C C . ALA B 1 195 ? -14.213 33.593 -6.719 1.00 32.54 ? 77 ALA B C 1
1958
+ ATOM 1201 O O . ALA B 1 195 ? -13.090 34.096 -6.685 1.00 30.04 ? 77 ALA B O 1
1959
+ ATOM 1202 C CB . ALA B 1 195 ? -15.265 33.279 -9.015 1.00 26.85 ? 77 ALA B CB 1
1960
+ ATOM 1203 N N . HIS B 1 196 ? -15.148 33.895 -5.825 1.00 28.64 ? 78 HIS B N 1
1961
+ ATOM 1204 C CA . HIS B 1 196 ? -14.864 34.847 -4.752 1.00 33.31 ? 78 HIS B CA 1
1962
+ ATOM 1205 C C . HIS B 1 196 ? -13.837 34.275 -3.785 1.00 33.22 ? 78 HIS B C 1
1963
+ ATOM 1206 O O . HIS B 1 196 ? -13.067 35.014 -3.179 1.00 30.22 ? 78 HIS B O 1
1964
+ ATOM 1207 C CB . HIS B 1 196 ? -16.143 35.249 -3.999 1.00 32.87 ? 78 HIS B CB 1
1965
+ ATOM 1208 C CG . HIS B 1 196 ? -16.868 34.096 -3.376 1.00 39.66 ? 78 HIS B CG 1
1966
+ ATOM 1209 N ND1 . HIS B 1 196 ? -17.861 33.397 -4.031 1.00 50.10 ? 78 HIS B ND1 1
1967
+ ATOM 1210 C CD2 . HIS B 1 196 ? -16.740 33.513 -2.161 1.00 36.48 ? 78 HIS B CD2 1
1968
+ ATOM 1211 C CE1 . HIS B 1 196 ? -18.313 32.435 -3.248 1.00 44.45 ? 78 HIS B CE1 1
1969
+ ATOM 1212 N NE2 . HIS B 1 196 ? -17.650 32.483 -2.107 1.00 38.83 ? 78 HIS B NE2 1
1970
+ ATOM 1213 N N . VAL B 1 197 ? -13.825 32.954 -3.640 1.00 36.91 ? 79 VAL B N 1
1971
+ ATOM 1214 C CA . VAL B 1 197 ? -12.863 32.305 -2.754 1.00 37.09 ? 79 VAL B CA 1
1972
+ ATOM 1215 C C . VAL B 1 197 ? -11.448 32.383 -3.332 1.00 34.07 ? 79 VAL B C 1
1973
+ ATOM 1216 O O . VAL B 1 197 ? -10.498 32.747 -2.636 1.00 30.63 ? 79 VAL B O 1
1974
+ ATOM 1217 C CB . VAL B 1 197 ? -13.244 30.838 -2.474 1.00 40.97 ? 79 VAL B CB 1
1975
+ ATOM 1218 C CG1 . VAL B 1 197 ? -12.074 30.088 -1.821 1.00 20.12 ? 79 VAL B CG1 1
1976
+ ATOM 1219 C CG2 . VAL B 1 197 ? -14.506 30.784 -1.608 1.00 38.43 ? 79 VAL B CG2 1
1977
+ ATOM 1220 N N . VAL B 1 198 ? -11.326 32.053 -4.613 1.00 32.95 ? 80 VAL B N 1
1978
+ ATOM 1221 C CA . VAL B 1 198 ? -10.059 32.135 -5.323 1.00 29.09 ? 80 VAL B CA 1
1979
+ ATOM 1222 C C . VAL B 1 198 ? -9.533 33.564 -5.306 1.00 31.15 ? 80 VAL B C 1
1980
+ ATOM 1223 O O . VAL B 1 198 ? -8.375 33.806 -4.940 1.00 38.37 ? 80 VAL B O 1
1981
+ ATOM 1224 C CB . VAL B 1 198 ? -10.231 31.672 -6.782 1.00 38.33 ? 80 VAL B CB 1
1982
+ ATOM 1225 C CG1 . VAL B 1 198 ? -8.901 31.683 -7.518 1.00 36.03 ? 80 VAL B CG1 1
1983
+ ATOM 1226 C CG2 . VAL B 1 198 ? -10.848 30.294 -6.814 1.00 39.15 ? 80 VAL B CG2 1
1984
+ ATOM 1227 N N . ARG B 1 199 ? -10.390 34.504 -5.702 1.00 21.40 ? 81 ARG B N 1
1985
+ ATOM 1228 C CA . ARG B 1 199 ? -10.046 35.922 -5.680 1.00 31.79 ? 81 ARG B CA 1
1986
+ ATOM 1229 C C . ARG B 1 199 ? -9.536 36.340 -4.301 1.00 32.61 ? 81 ARG B C 1
1987
+ ATOM 1230 O O . ARG B 1 199 ? -8.480 36.989 -4.176 1.00 24.74 ? 81 ARG B O 1
1988
+ ATOM 1231 C CB . ARG B 1 199 ? -11.266 36.757 -6.049 1.00 39.99 ? 81 ARG B CB 1
1989
+ ATOM 1232 C CG . ARG B 1 199 ? -10.989 38.238 -6.216 1.00 41.45 ? 81 ARG B CG 1
1990
+ ATOM 1233 C CD . ARG B 1 199 ? -12.287 38.976 -6.385 1.00 51.81 ? 81 ARG B CD 1
1991
+ ATOM 1234 N NE . ARG B 1 199 ? -12.084 40.402 -6.592 1.00 67.02 ? 81 ARG B NE 1
1992
+ ATOM 1235 C CZ . ARG B 1 199 ? -13.056 41.307 -6.530 1.00 69.53 ? 81 ARG B CZ 1
1993
+ ATOM 1236 N NH1 . ARG B 1 199 ? -14.297 40.919 -6.258 1.00 66.68 ? 81 ARG B NH1 1
1994
+ ATOM 1237 N NH2 . ARG B 1 199 ? -12.785 42.594 -6.733 1.00 69.16 ? 81 ARG B NH2 1
1995
+ ATOM 1238 N N . ALA B 1 200 ? -10.277 35.950 -3.267 1.00 21.43 ? 82 ALA B N 1
1996
+ ATOM 1239 C CA . ALA B 1 200 ? -9.871 36.266 -1.901 1.00 25.09 ? 82 ALA B CA 1
1997
+ ATOM 1240 C C . ALA B 1 200 ? -8.489 35.691 -1.585 1.00 27.35 ? 82 ALA B C 1
1998
+ ATOM 1241 O O . ALA B 1 200 ? -7.646 36.376 -0.973 1.00 23.72 ? 82 ALA B O 1
1999
+ ATOM 1242 C CB . ALA B 1 200 ? -10.904 35.780 -0.896 1.00 23.23 ? 82 ALA B CB 1
2000
+ ATOM 1243 N N . TYR B 1 201 ? -8.247 34.449 -2.011 1.00 19.08 ? 83 TYR B N 1
2001
+ ATOM 1244 C CA . TYR B 1 201 ? -6.967 33.813 -1.718 1.00 21.13 ? 83 TYR B CA 1
2002
+ ATOM 1245 C C . TYR B 1 201 ? -5.784 34.556 -2.335 1.00 26.75 ? 83 TYR B C 1
2003
+ ATOM 1246 O O . TYR B 1 201 ? -4.699 34.595 -1.755 1.00 20.33 ? 83 TYR B O 1
2004
+ ATOM 1247 C CB . TYR B 1 201 ? -6.914 32.348 -2.158 1.00 25.33 ? 83 TYR B CB 1
2005
+ ATOM 1248 C CG . TYR B 1 201 ? -5.642 31.698 -1.644 1.00 30.67 ? 83 TYR B CG 1
2006
+ ATOM 1249 C CD1 . TYR B 1 201 ? -5.562 31.252 -0.326 1.00 26.38 ? 83 TYR B CD1 1
2007
+ ATOM 1250 C CD2 . TYR B 1 201 ? -4.502 31.584 -2.450 1.00 16.15 ? 83 TYR B CD2 1
2008
+ ATOM 1251 C CE1 . TYR B 1 201 ? -4.404 30.682 0.169 1.00 23.03 ? 83 TYR B CE1 1
2009
+ ATOM 1252 C CE2 . TYR B 1 201 ? -3.333 31.005 -1.959 1.00 18.47 ? 83 TYR B CE2 1
2010
+ ATOM 1253 C CZ . TYR B 1 201 ? -3.293 30.561 -0.644 1.00 19.72 ? 83 TYR B CZ 1
2011
+ ATOM 1254 O OH . TYR B 1 201 ? -2.150 29.992 -0.116 1.00 27.62 ? 83 TYR B OH 1
2012
+ ATOM 1255 N N . ASN B 1 202 ? -5.994 35.132 -3.512 1.00 29.31 ? 84 ASN B N 1
2013
+ ATOM 1256 C CA . ASN B 1 202 ? -4.910 35.813 -4.213 1.00 29.16 ? 84 ASN B CA 1
2014
+ ATOM 1257 C C . ASN B 1 202 ? -4.932 37.340 -4.148 1.00 27.47 ? 84 ASN B C 1
2015
+ ATOM 1258 O O . ASN B 1 202 ? -4.056 37.991 -4.698 1.00 32.55 ? 84 ASN B O 1
2016
+ ATOM 1259 C CB . ASN B 1 202 ? -4.841 35.347 -5.664 1.00 33.93 ? 84 ASN B CB 1
2017
+ ATOM 1260 C CG . ASN B 1 202 ? -4.579 33.864 -5.777 1.00 40.17 ? 84 ASN B CG 1
2018
+ ATOM 1261 O OD1 . ASN B 1 202 ? -3.471 33.390 -5.495 1.00 41.13 ? 84 ASN B OD1 1
2019
+ ATOM 1262 N ND2 . ASN B 1 202 ? -5.595 33.118 -6.188 1.00 39.40 ? 84 ASN B ND2 1
2020
+ ATOM 1263 N N . GLN B 1 203 ? -5.923 37.911 -3.476 1.00 24.72 ? 85 GLN B N 1
2021
+ ATOM 1264 C CA . GLN B 1 203 ? -5.948 39.353 -3.279 1.00 26.16 ? 85 GLN B CA 1
2022
+ ATOM 1265 C C . GLN B 1 203 ? -4.652 39.873 -2.640 1.00 35.16 ? 85 GLN B C 1
2023
+ ATOM 1266 O O . GLN B 1 203 ? -4.198 39.350 -1.616 1.00 32.77 ? 85 GLN B O 1
2024
+ ATOM 1267 C CB . GLN B 1 203 ? -7.132 39.752 -2.405 1.00 22.17 ? 85 GLN B CB 1
2025
+ ATOM 1268 C CG . GLN B 1 203 ? -7.277 41.267 -2.201 1.00 31.61 ? 85 GLN B CG 1
2026
+ ATOM 1269 C CD . GLN B 1 203 ? -7.799 41.967 -3.432 1.00 34.96 ? 85 GLN B CD 1
2027
+ ATOM 1270 O OE1 . GLN B 1 203 ? -8.040 41.340 -4.464 1.00 32.15 ? 85 GLN B OE1 1
2028
+ ATOM 1271 N NE2 . GLN B 1 203 ? -7.985 43.272 -3.333 1.00 42.04 ? 85 GLN B NE2 1
2029
+ ATOM 1272 N N . PRO B 1 204 ? -4.047 40.898 -3.256 1.00 39.04 ? 86 PRO B N 1
2030
+ ATOM 1273 C CA . PRO B 1 204 ? -2.914 41.630 -2.681 1.00 38.48 ? 86 PRO B CA 1
2031
+ ATOM 1274 C C . PRO B 1 204 ? -3.324 42.298 -1.372 1.00 39.50 ? 86 PRO B C 1
2032
+ ATOM 1275 O O . PRO B 1 204 ? -4.361 42.962 -1.299 1.00 42.05 ? 86 PRO B O 1
2033
+ ATOM 1276 C CB . PRO B 1 204 ? -2.618 42.707 -3.737 1.00 41.85 ? 86 PRO B CB 1
2034
+ ATOM 1277 C CG . PRO B 1 204 ? -3.138 42.135 -5.011 1.00 47.54 ? 86 PRO B CG 1
2035
+ ATOM 1278 C CD . PRO B 1 204 ? -4.365 41.354 -4.622 1.00 45.84 ? 86 PRO B CD 1
2036
+ ATOM 1279 N N . ALA B 1 205 ? -2.516 42.115 -0.339 1.00 37.14 ? 87 ALA B N 1
2037
+ ATOM 1280 C CA . ALA B 1 205 ? -2.796 42.716 0.954 1.00 34.89 ? 87 ALA B CA 1
2038
+ ATOM 1281 C C . ALA B 1 205 ? -1.521 42.674 1.776 1.00 31.46 ? 87 ALA B C 1
2039
+ ATOM 1282 O O . ALA B 1 205 ? -0.752 41.717 1.696 1.00 34.56 ? 87 ALA B O 1
2040
+ ATOM 1283 C CB . ALA B 1 205 ? -3.934 41.978 1.659 1.00 26.06 ? 87 ALA B CB 1
2041
+ ATOM 1284 N N . GLY B 1 206 ? -1.295 43.724 2.551 1.00 33.52 ? 88 GLY B N 1
2042
+ ATOM 1285 C CA . GLY B 1 206 ? -0.112 43.813 3.385 1.00 39.66 ? 88 GLY B CA 1
2043
+ ATOM 1286 C C . GLY B 1 206 ? -0.190 42.859 4.561 1.00 45.10 ? 88 GLY B C 1
2044
+ ATOM 1287 O O . GLY B 1 206 ? -1.277 42.398 4.929 1.00 40.55 ? 88 GLY B O 1
2045
+ ATOM 1288 N N . ASP B 1 207 ? 0.965 42.540 5.136 1.00 23.96 ? 89 ASP B N 1
2046
+ ATOM 1289 C CA . ASP B 1 207 ? 0.993 41.721 6.328 1.00 32.04 ? 89 ASP B CA 1
2047
+ ATOM 1290 C C . ASP B 1 207 ? 0.600 42.594 7.532 1.00 31.75 ? 89 ASP B C 1
2048
+ ATOM 1291 O O . ASP B 1 207 ? 1.186 43.645 7.754 1.00 33.93 ? 89 ASP B O 1
2049
+ ATOM 1292 C CB . ASP B 1 207 ? 2.383 41.098 6.538 1.00 36.88 ? 89 ASP B CB 1
2050
+ ATOM 1293 C CG . ASP B 1 207 ? 2.777 40.100 5.438 1.00 46.67 ? 89 ASP B CG 1
2051
+ ATOM 1294 O OD1 . ASP B 1 207 ? 1.915 39.341 4.938 1.00 39.48 ? 89 ASP B OD1 1
2052
+ ATOM 1295 O OD2 . ASP B 1 207 ? 3.979 40.067 5.087 1.00 54.66 ? 89 ASP B OD2 1
2053
+ ATOM 1296 N N . VAL B 1 208 ? -0.416 42.174 8.282 1.00 24.94 ? 90 VAL B N 1
2054
+ ATOM 1297 C CA . VAL B 1 208 ? -0.784 42.870 9.515 1.00 26.32 ? 90 VAL B CA 1
2055
+ ATOM 1298 C C . VAL B 1 208 ? 0.194 42.510 10.660 1.00 26.75 ? 90 VAL B C 1
2056
+ ATOM 1299 O O . VAL B 1 208 ? 0.598 43.367 11.431 1.00 28.23 ? 90 VAL B O 1
2057
+ ATOM 1300 C CB . VAL B 1 208 ? -2.255 42.565 9.921 1.00 30.21 ? 90 VAL B CB 1
2058
+ ATOM 1301 C CG1 . VAL B 1 208 ? -2.581 43.153 11.289 1.00 29.90 ? 90 VAL B CG1 1
2059
+ ATOM 1302 C CG2 . VAL B 1 208 ? -3.230 43.062 8.866 1.00 26.24 ? 90 VAL B CG2 1
2060
+ ATOM 1303 N N . ARG B 1 209 ? 0.562 41.233 10.746 1.00 25.62 ? 91 ARG B N 1
2061
+ ATOM 1304 C CA . ARG B 1 209 ? 1.458 40.708 11.779 1.00 26.04 ? 91 ARG B CA 1
2062
+ ATOM 1305 C C . ARG B 1 209 ? 1.996 39.326 11.375 1.00 24.68 ? 91 ARG B C 1
2063
+ ATOM 1306 O O . ARG B 1 209 ? 1.532 38.719 10.423 1.00 23.43 ? 91 ARG B O 1
2064
+ ATOM 1307 C CB . ARG B 1 209 ? 0.719 40.579 13.109 1.00 26.82 ? 91 ARG B CB 1
2065
+ ATOM 1308 C CG . ARG B 1 209 ? -0.526 39.732 12.993 1.00 25.84 ? 91 ARG B CG 1
2066
+ ATOM 1309 C CD . ARG B 1 209 ? -1.088 39.384 14.341 1.00 26.86 ? 91 ARG B CD 1
2067
+ ATOM 1310 N NE . ARG B 1 209 ? -2.294 38.581 14.210 1.00 31.68 ? 91 ARG B NE 1
2068
+ ATOM 1311 C CZ . ARG B 1 209 ? -3.049 38.195 15.235 1.00 39.25 ? 91 ARG B CZ 1
2069
+ ATOM 1312 N NH1 . ARG B 1 209 ? -2.713 38.546 16.470 1.00 41.49 ? 91 ARG B NH1 1
2070
+ ATOM 1313 N NH2 . ARG B 1 209 ? -4.142 37.464 15.022 1.00 36.11 ? 91 ARG B NH2 1
2071
+ ATOM 1314 N N . GLY B 1 210 ? 3.001 38.851 12.099 1.00 28.00 ? 92 GLY B N 1
2072
+ ATOM 1315 C CA . GLY B 1 210 ? 3.498 37.493 11.915 1.00 26.47 ? 92 GLY B CA 1
2073
+ ATOM 1316 C C . GLY B 1 210 ? 3.076 36.667 13.119 1.00 33.40 ? 92 GLY B C 1
2074
+ ATOM 1317 O O . GLY B 1 210 ? 3.036 37.181 14.242 1.00 31.36 ? 92 GLY B O 1
2075
+ ATOM 1318 N N . VAL B 1 211 ? 2.731 35.401 12.895 1.00 23.47 ? 93 VAL B N 1
2076
+ ATOM 1319 C CA . VAL B 1 211 ? 2.282 34.549 13.986 1.00 23.89 ? 93 VAL B CA 1
2077
+ ATOM 1320 C C . VAL B 1 211 ? 2.994 33.190 13.963 1.00 23.49 ? 93 VAL B C 1
2078
+ ATOM 1321 O O . VAL B 1 211 ? 3.651 32.841 12.980 1.00 22.68 ? 93 VAL B O 1
2079
+ ATOM 1322 C CB . VAL B 1 211 ? 0.704 34.341 13.991 1.00 29.59 ? 93 VAL B CB 1
2080
+ ATOM 1323 C CG1 . VAL B 1 211 ? -0.033 35.662 13.994 1.00 29.59 ? 93 VAL B CG1 1
2081
+ ATOM 1324 C CG2 . VAL B 1 211 ? 0.232 33.485 12.813 1.00 21.99 ? 93 VAL B CG2 1
2082
+ ATOM 1325 N N . TRP B 1 212 ? 2.875 32.454 15.060 1.00 24.25 ? 94 TRP B N 1
2083
+ ATOM 1326 C CA . TRP B 1 212 ? 3.147 31.023 15.100 1.00 31.89 ? 94 TRP B CA 1
2084
+ ATOM 1327 C C . TRP B 1 212 ? 1.820 30.375 15.537 1.00 35.38 ? 94 TRP B C 1
2085
+ ATOM 1328 O O . TRP B 1 212 ? 1.083 30.984 16.307 1.00 56.03 ? 94 TRP B O 1
2086
+ ATOM 1329 C CB . TRP B 1 212 ? 4.236 30.753 16.126 1.00 36.91 ? 94 TRP B CB 1
2087
+ ATOM 1330 C CG . TRP B 1 212 ? 5.346 31.793 16.164 1.00 47.40 ? 94 TRP B CG 1
2088
+ ATOM 1331 C CD1 . TRP B 1 212 ? 6.577 31.706 15.569 1.00 46.87 ? 94 TRP B CD1 1
2089
+ ATOM 1332 C CD2 . TRP B 1 212 ? 5.330 33.053 16.859 1.00 52.81 ? 94 TRP B CD2 1
2090
+ ATOM 1333 N NE1 . TRP B 1 212 ? 7.320 32.829 15.842 1.00 48.69 ? 94 TRP B NE1 1
2091
+ ATOM 1334 C CE2 . TRP B 1 212 ? 6.580 33.672 16.629 1.00 52.21 ? 94 TRP B CE2 1
2092
+ ATOM 1335 C CE3 . TRP B 1 212 ? 4.382 33.717 17.649 1.00 51.85 ? 94 TRP B CE3 1
2093
+ ATOM 1336 C CZ2 . TRP B 1 212 ? 6.906 34.923 17.162 1.00 51.70 ? 94 TRP B CZ2 1
2094
+ ATOM 1337 C CZ3 . TRP B 1 212 ? 4.706 34.965 18.176 1.00 54.04 ? 94 TRP B CZ3 1
2095
+ ATOM 1338 C CH2 . TRP B 1 212 ? 5.958 35.550 17.932 1.00 53.44 ? 94 TRP B CH2 1
2096
+ ATOM 1339 N N . GLY B 1 213 ? 1.469 29.177 15.075 1.00 37.66 ? 95 GLY B N 1
2097
+ ATOM 1340 C CA . GLY B 1 213 ? 2.267 28.314 14.231 1.00 30.12 ? 95 GLY B CA 1
2098
+ ATOM 1341 C C . GLY B 1 213 ? 2.699 27.083 15.025 1.00 35.54 ? 95 GLY B C 1
2099
+ ATOM 1342 O O . GLY B 1 213 ? 3.744 27.120 15.670 1.00 46.68 ? 95 GLY B O 1
2100
+ ATOM 1343 N N . LYS B 1 214 ? 1.896 26.017 15.010 1.00 28.70 ? 96 LYS B N 1
2101
+ ATOM 1344 C CA . LYS B 1 214 ? 2.299 24.723 15.601 1.00 26.23 ? 96 LYS B CA 1
2102
+ ATOM 1345 C C . LYS B 1 214 ? 3.742 24.352 15.248 1.00 24.28 ? 96 LYS B C 1
2103
+ ATOM 1346 O O . LYS B 1 214 ? 4.128 24.386 14.085 1.00 23.23 ? 96 LYS B O 1
2104
+ ATOM 1347 C CB . LYS B 1 214 ? 1.371 23.610 15.124 1.00 23.66 ? 96 LYS B CB 1
2105
+ ATOM 1348 C CG . LYS B 1 214 ? 0.633 22.903 16.251 1.00 33.93 ? 96 LYS B CG 1
2106
+ ATOM 1349 C CD . LYS B 1 214 ? -0.857 22.746 15.958 1.00 30.87 ? 96 LYS B CD 1
2107
+ ATOM 1350 C CE . LYS B 1 214 ? -1.526 22.005 17.113 1.00 35.42 ? 96 LYS B CE 1
2108
+ ATOM 1351 N NZ . LYS B 1 214 ? -2.263 20.791 16.670 1.00 39.30 ? 96 LYS B NZ 1
2109
+ ATOM 1352 N N . GLY B 1 215 ? 4.550 24.035 16.252 1.00 36.51 ? 97 GLY B N 1
2110
+ ATOM 1353 C CA . GLY B 1 215 ? 5.961 23.760 16.019 1.00 38.02 ? 97 GLY B CA 1
2111
+ ATOM 1354 C C . GLY B 1 215 ? 6.799 25.011 15.788 1.00 36.09 ? 97 GLY B C 1
2112
+ ATOM 1355 O O . GLY B 1 215 ? 7.830 24.963 15.108 1.00 28.31 ? 97 GLY B O 1
2113
+ ATOM 1356 N N . GLU B 1 216 ? 6.357 26.127 16.368 1.00 36.27 ? 98 GLU B N 1
2114
+ ATOM 1357 C CA . GLU B 1 216 ? 6.987 27.436 16.163 1.00 35.82 ? 98 GLU B CA 1
2115
+ ATOM 1358 C C . GLU B 1 216 ? 7.175 27.777 14.684 1.00 31.54 ? 98 GLU B C 1
2116
+ ATOM 1359 O O . GLU B 1 216 ? 8.163 28.394 14.276 1.00 29.86 ? 98 GLU B O 1
2117
+ ATOM 1360 C CB . GLU B 1 216 ? 8.303 27.542 16.930 1.00 38.22 ? 98 GLU B CB 1
2118
+ ATOM 1361 C CG . GLU B 1 216 ? 8.116 27.457 18.438 1.00 52.46 ? 98 GLU B CG 1
2119
+ ATOM 1362 C CD . GLU B 1 216 ? 9.421 27.591 19.204 1.00 61.84 ? 98 GLU B CD 1
2120
+ ATOM 1363 O OE1 . GLU B 1 216 ? 9.373 27.601 20.455 1.00 59.31 ? 98 GLU B OE1 1
2121
+ ATOM 1364 O OE2 . GLU B 1 216 ? 10.489 27.685 18.555 1.00 67.22 ? 98 GLU B OE2 1
2122
+ ATOM 1365 N N . ARG B 1 217 ? 6.215 27.371 13.872 1.00 30.24 ? 99 ARG B N 1
2123
+ ATOM 1366 C CA . ARG B 1 217 ? 6.283 27.694 12.468 1.00 35.22 ? 99 ARG B CA 1
2124
+ ATOM 1367 C C . ARG B 1 217 ? 5.693 29.080 12.198 1.00 32.12 ? 99 ARG B C 1
2125
+ ATOM 1368 O O . ARG B 1 217 ? 4.567 29.362 12.584 1.00 29.00 ? 99 ARG B O 1
2126
+ ATOM 1369 C CB . ARG B 1 217 ? 5.610 26.594 11.644 1.00 33.80 ? 99 ARG B CB 1
2127
+ ATOM 1370 C CG . ARG B 1 217 ? 6.340 25.287 11.789 1.00 33.32 ? 99 ARG B CG 1
2128
+ ATOM 1371 C CD . ARG B 1 217 ? 5.920 24.275 10.774 1.00 39.89 ? 99 ARG B CD 1
2129
+ ATOM 1372 N NE . ARG B 1 217 ? 6.765 23.085 10.853 1.00 48.53 ? 99 ARG B NE 1
2130
+ ATOM 1373 C CZ . ARG B 1 217 ? 6.581 21.991 10.123 1.00 45.43 ? 99 ARG B CZ 1
2131
+ ATOM 1374 N NH1 . ARG B 1 217 ? 5.571 21.939 9.261 1.00 47.18 ? 99 ARG B NH1 1
2132
+ ATOM 1375 N NH2 . ARG B 1 217 ? 7.398 20.949 10.256 1.00 39.16 ? 99 ARG B NH2 1
2133
+ ATOM 1376 N N . THR B 1 218 ? 6.470 29.938 11.544 1.00 21.75 ? 100 THR B N 1
2134
+ ATOM 1377 C CA . THR B 1 218 ? 6.071 31.319 11.282 1.00 27.60 ? 100 THR B CA 1
2135
+ ATOM 1378 C C . THR B 1 218 ? 5.116 31.479 10.101 1.00 26.00 ? 100 THR B C 1
2136
+ ATOM 1379 O O . THR B 1 218 ? 5.325 30.906 9.028 1.00 24.44 ? 100 THR B O 1
2137
+ ATOM 1380 C CB . THR B 1 218 ? 7.301 32.190 11.038 1.00 26.13 ? 100 THR B CB 1
2138
+ ATOM 1381 O OG1 . THR B 1 218 ? 8.107 31.566 10.040 1.00 41.82 ? 100 THR B OG1 1
2139
+ ATOM 1382 C CG2 . THR B 1 218 ? 8.127 32.306 12.311 1.00 23.89 ? 100 THR B CG2 1
2140
+ ATOM 1383 N N . TYR B 1 219 ? 4.069 32.269 10.314 1.00 22.50 ? 101 TYR B N 1
2141
+ ATOM 1384 C CA . TYR B 1 219 ? 3.087 32.608 9.278 1.00 19.55 ? 101 TYR B CA 1
2142
+ ATOM 1385 C C . TYR B 1 219 ? 2.912 34.130 9.214 1.00 20.85 ? 101 TYR B C 1
2143
+ ATOM 1386 O O . TYR B 1 219 ? 2.982 34.804 10.239 1.00 21.14 ? 101 TYR B O 1
2144
+ ATOM 1387 C CB . TYR B 1 219 ? 1.730 31.993 9.618 1.00 19.30 ? 101 TYR B CB 1
2145
+ ATOM 1388 C CG . TYR B 1 219 ? 1.695 30.502 9.511 1.00 28.62 ? 101 TYR B CG 1
2146
+ ATOM 1389 C CD1 . TYR B 1 219 ? 2.133 29.702 10.564 1.00 24.43 ? 101 TYR B CD1 1
2147
+ ATOM 1390 C CD2 . TYR B 1 219 ? 1.231 29.879 8.349 1.00 21.43 ? 101 TYR B CD2 1
2148
+ ATOM 1391 C CE1 . TYR B 1 219 ? 2.105 28.326 10.466 1.00 22.35 ? 101 TYR B CE1 1
2149
+ ATOM 1392 C CE2 . TYR B 1 219 ? 1.191 28.505 8.248 1.00 21.75 ? 101 TYR B CE2 1
2150
+ ATOM 1393 C CZ . TYR B 1 219 ? 1.630 27.729 9.312 1.00 25.68 ? 101 TYR B CZ 1
2151
+ ATOM 1394 O OH . TYR B 1 219 ? 1.613 26.353 9.222 1.00 31.09 ? 101 TYR B OH 1
2152
+ ATOM 1395 N N . ALA B 1 220 ? 2.670 34.658 8.019 1.00 19.53 ? 102 ALA B N 1
2153
+ ATOM 1396 C CA . ALA B 1 220 ? 2.305 36.057 7.853 1.00 20.14 ? 102 ALA B CA 1
2154
+ ATOM 1397 C C . ALA B 1 220 ? 0.776 36.131 7.853 1.00 29.78 ? 102 ALA B C 1
2155
+ ATOM 1398 O O . ALA B 1 220 ? 0.111 35.287 7.248 1.00 19.13 ? 102 ALA B O 1
2156
+ ATOM 1399 C CB . ALA B 1 220 ? 2.877 36.608 6.546 1.00 19.87 ? 102 ALA B CB 1
2157
+ ATOM 1400 N N . GLU B 1 221 ? 0.218 37.112 8.560 1.00 20.94 ? 103 GLU B N 1
2158
+ ATOM 1401 C CA . GLU B 1 221 ? -1.237 37.293 8.571 1.00 24.51 ? 103 GLU B CA 1
2159
+ ATOM 1402 C C . GLU B 1 221 ? -1.686 38.519 7.785 1.00 22.49 ? 103 GLU B C 1
2160
+ ATOM 1403 O O . GLU B 1 221 ? -1.086 39.582 7.885 1.00 22.36 ? 103 GLU B O 1
2161
+ ATOM 1404 C CB . GLU B 1 221 ? -1.794 37.384 9.996 1.00 21.92 ? 103 GLU B CB 1
2162
+ ATOM 1405 C CG . GLU B 1 221 ? -3.329 37.370 10.024 1.00 24.87 ? 103 GLU B CG 1
2163
+ ATOM 1406 C CD . GLU B 1 221 ? -3.919 37.274 11.434 1.00 43.29 ? 103 GLU B CD 1
2164
+ ATOM 1407 O OE1 . GLU B 1 221 ? -3.398 36.497 12.271 1.00 37.69 ? 103 GLU B OE1 1
2165
+ ATOM 1408 O OE2 . GLU B 1 221 ? -4.916 37.983 11.704 1.00 59.57 ? 103 GLU B OE2 1
2166
+ ATOM 1409 N N . GLN B 1 222 ? -2.748 38.355 7.000 1.00 22.05 ? 104 GLN B N 1
2167
+ ATOM 1410 C CA . GLN B 1 222 ? -3.400 39.479 6.348 1.00 22.95 ? 104 GLN B CA 1
2168
+ ATOM 1411 C C . GLN B 1 222 ? -4.865 39.592 6.760 1.00 34.88 ? 104 GLN B C 1
2169
+ ATOM 1412 O O . GLN B 1 222 ? -5.553 38.575 6.975 1.00 21.78 ? 104 GLN B O 1
2170
+ ATOM 1413 C CB . GLN B 1 222 ? -3.266 39.390 4.833 1.00 29.11 ? 104 GLN B CB 1
2171
+ ATOM 1414 C CG . GLN B 1 222 ? -1.823 39.232 4.355 1.00 22.64 ? 104 GLN B CG 1
2172
+ ATOM 1415 C CD . GLN B 1 222 ? -1.376 37.795 4.361 1.00 24.13 ? 104 GLN B CD 1
2173
+ ATOM 1416 O OE1 . GLN B 1 222 ? -2.145 36.895 4.031 1.00 20.13 ? 104 GLN B OE1 1
2174
+ ATOM 1417 N NE2 . GLN B 1 222 ? -0.138 37.564 4.770 1.00 29.56 ? 104 GLN B NE2 1
2175
+ ATOM 1418 N N . ASP B 1 223 ? -5.305 40.849 6.882 1.00 36.33 ? 105 ASP B N 1
2176
+ ATOM 1419 C CA . ASP B 1 223 ? -6.659 41.232 7.271 1.00 28.61 ? 105 ASP B CA 1
2177
+ ATOM 1420 C C . ASP B 1 223 ? -7.115 42.305 6.283 1.00 34.34 ? 105 ASP B C 1
2178
+ ATOM 1421 O O . ASP B 1 223 ? -6.664 43.445 6.336 1.00 26.34 ? 105 ASP B O 1
2179
+ ATOM 1422 C CB . ASP B 1 223 ? -6.668 41.811 8.691 1.00 30.10 ? 105 ASP B CB 1
2180
+ ATOM 1423 C CG . ASP B 1 223 ? -8.081 41.946 9.274 1.00 42.07 ? 105 ASP B CG 1
2181
+ ATOM 1424 O OD1 . ASP B 1 223 ? -9.068 41.984 8.503 1.00 39.17 ? 105 ASP B OD1 1
2182
+ ATOM 1425 O OD2 . ASP B 1 223 ? -8.208 42.027 10.518 1.00 46.67 ? 105 ASP B OD2 1
2183
+ ATOM 1426 N N . PHE B 1 224 ? -8.012 41.943 5.379 1.00 35.72 ? 106 PHE B N 1
2184
+ ATOM 1427 C CA . PHE B 1 224 ? -8.366 42.837 4.296 1.00 29.35 ? 106 PHE B CA 1
2185
+ ATOM 1428 C C . PHE B 1 224 ? -9.809 42.667 3.893 1.00 35.52 ? 106 PHE B C 1
2186
+ ATOM 1429 O O . PHE B 1 224 ? -10.502 41.748 4.331 1.00 32.37 ? 106 PHE B O 1
2187
+ ATOM 1430 C CB . PHE B 1 224 ? -7.468 42.593 3.080 1.00 26.91 ? 106 PHE B CB 1
2188
+ ATOM 1431 C CG . PHE B 1 224 ? -7.507 41.179 2.575 1.00 27.65 ? 106 PHE B CG 1
2189
+ ATOM 1432 C CD1 . PHE B 1 224 ? -6.654 40.221 3.101 1.00 22.41 ? 106 PHE B CD1 1
2190
+ ATOM 1433 C CD2 . PHE B 1 224 ? -8.419 40.801 1.589 1.00 29.69 ? 106 PHE B CD2 1
2191
+ ATOM 1434 C CE1 . PHE B 1 224 ? -6.698 38.908 2.639 1.00 21.27 ? 106 PHE B CE1 1
2192
+ ATOM 1435 C CE2 . PHE B 1 224 ? -8.468 39.487 1.120 1.00 30.53 ? 106 PHE B CE2 1
2193
+ ATOM 1436 C CZ . PHE B 1 224 ? -7.614 38.544 1.642 1.00 22.30 ? 106 PHE B CZ 1
2194
+ ATOM 1437 N N . ARG B 1 225 ? -10.255 43.578 3.050 1.00 35.50 ? 107 ARG B N 1
2195
+ ATOM 1438 C CA . ARG B 1 225 ? -11.607 43.532 2.562 1.00 39.21 ? 107 ARG B CA 1
2196
+ ATOM 1439 C C . ARG B 1 225 ? -11.566 43.489 1.063 1.00 45.26 ? 107 ARG B C 1
2197
+ ATOM 1440 O O . ARG B 1 225 ? -10.750 44.161 0.433 1.00 52.23 ? 107 ARG B O 1
2198
+ ATOM 1441 C CB . ARG B 1 225 ? -12.388 44.749 3.046 1.00 37.72 ? 107 ARG B CB 1
2199
+ ATOM 1442 C CG . ARG B 1 225 ? -12.521 44.770 4.546 1.00 43.32 ? 107 ARG B CG 1
2200
+ ATOM 1443 C CD . ARG B 1 225 ? -13.432 45.867 4.992 1.00 47.34 ? 107 ARG B CD 1
2201
+ ATOM 1444 N NE . ARG B 1 225 ? -14.092 45.519 6.242 1.00 53.15 ? 107 ARG B NE 1
2202
+ ATOM 1445 C CZ . ARG B 1 225 ? -15.344 45.078 6.318 1.00 56.30 ? 107 ARG B CZ 1
2203
+ ATOM 1446 N NH1 . ARG B 1 225 ? -16.066 44.942 5.209 1.00 55.54 ? 107 ARG B NH1 1
2204
+ ATOM 1447 N NH2 . ARG B 1 225 ? -15.875 44.778 7.502 1.00 52.05 ? 107 ARG B NH2 1
2205
+ ATOM 1448 N N . VAL B 1 226 ? -12.433 42.663 0.502 1.00 43.22 ? 108 VAL B N 1
2206
+ ATOM 1449 C CA . VAL B 1 226 ? -12.638 42.629 -0.929 1.00 47.54 ? 108 VAL B CA 1
2207
+ ATOM 1450 C C . VAL B 1 226 ? -14.101 42.227 -1.135 1.00 53.00 ? 108 VAL B C 1
2208
+ ATOM 1451 O O . VAL B 1 226 ? -14.649 41.459 -0.341 1.00 49.79 ? 108 VAL B O 1
2209
+ ATOM 1452 C CB . VAL B 1 226 ? -11.629 41.679 -1.616 1.00 50.38 ? 108 VAL B CB 1
2210
+ ATOM 1453 C CG1 . VAL B 1 226 ? -11.641 40.310 -0.955 1.00 54.75 ? 108 VAL B CG1 1
2211
+ ATOM 1454 C CG2 . VAL B 1 226 ? -11.887 41.585 -3.110 1.00 47.24 ? 108 VAL B CG2 1
2212
+ ATOM 1455 N N . GLY B 1 227 ? -14.744 42.796 -2.153 1.00 54.38 ? 109 GLY B N 1
2213
+ ATOM 1456 C CA . GLY B 1 227 ? -16.148 42.526 -2.431 1.00 58.64 ? 109 GLY B CA 1
2214
+ ATOM 1457 C C . GLY B 1 227 ? -17.078 42.687 -1.236 1.00 59.35 ? 109 GLY B C 1
2215
+ ATOM 1458 O O . GLY B 1 227 ? -17.914 41.808 -0.978 1.00 55.52 ? 109 GLY B O 1
2216
+ ATOM 1459 N N . GLY B 1 228 ? -16.924 43.798 -0.506 1.00 52.82 ? 110 GLY B N 1
2217
+ ATOM 1460 C CA . GLY B 1 228 ? -17.698 44.074 0.699 1.00 47.88 ? 110 GLY B CA 1
2218
+ ATOM 1461 C C . GLY B 1 228 ? -17.443 43.130 1.874 1.00 50.50 ? 110 GLY B C 1
2219
+ ATOM 1462 O O . GLY B 1 228 ? -17.958 43.340 2.973 1.00 54.96 ? 110 GLY B O 1
2220
+ ATOM 1463 N N . THR B 1 229 ? -16.641 42.094 1.646 1.00 47.24 ? 111 THR B N 1
2221
+ ATOM 1464 C CA . THR B 1 229 ? -16.434 41.049 2.638 1.00 38.88 ? 111 THR B CA 1
2222
+ ATOM 1465 C C . THR B 1 229 ? -15.036 41.151 3.259 1.00 36.79 ? 111 THR B C 1
2223
+ ATOM 1466 O O . THR B 1 229 ? -14.049 41.431 2.579 1.00 29.92 ? 111 THR B O 1
2224
+ ATOM 1467 C CB . THR B 1 229 ? -16.678 39.644 2.034 1.00 41.87 ? 111 THR B CB 1
2225
+ ATOM 1468 O OG1 . THR B 1 229 ? -18.061 39.512 1.689 1.00 41.47 ? 111 THR B OG1 1
2226
+ ATOM 1469 C CG2 . THR B 1 229 ? -16.312 38.530 3.019 1.00 47.25 ? 111 THR B CG2 1
2227
+ ATOM 1470 N N . ARG B 1 230 ? -14.974 40.954 4.569 1.00 36.25 ? 112 ARG B N 1
2228
+ ATOM 1471 C CA . ARG B 1 230 ? -13.715 40.999 5.277 1.00 27.47 ? 112 ARG B CA 1
2229
+ ATOM 1472 C C . ARG B 1 230 ? -13.131 39.596 5.426 1.00 35.89 ? 112 ARG B C 1
2230
+ ATOM 1473 O O . ARG B 1 230 ? -13.807 38.658 5.876 1.00 25.72 ? 112 ARG B O 1
2231
+ ATOM 1474 C CB . ARG B 1 230 ? -13.905 41.649 6.640 1.00 28.48 ? 112 ARG B CB 1
2232
+ ATOM 1475 C CG . ARG B 1 230 ? -12.669 41.648 7.489 1.00 27.85 ? 112 ARG B CG 1
2233
+ ATOM 1476 C CD . ARG B 1 230 ? -12.995 42.159 8.874 1.00 31.88 ? 112 ARG B CD 1
2234
+ ATOM 1477 N NE . ARG B 1 230 ? -11.834 42.113 9.751 1.00 28.58 ? 112 ARG B NE 1
2235
+ ATOM 1478 C CZ . ARG B 1 230 ? -11.865 42.397 11.047 1.00 40.78 ? 112 ARG B CZ 1
2236
+ ATOM 1479 N NH1 . ARG B 1 230 ? -13.011 42.736 11.638 1.00 30.76 ? 112 ARG B NH1 1
2237
+ ATOM 1480 N NH2 . ARG B 1 230 ? -10.743 42.330 11.754 1.00 35.38 ? 112 ARG B NH2 1
2238
+ ATOM 1481 N N . TRP B 1 231 ? -11.863 39.483 5.049 1.00 24.84 ? 113 TRP B N 1
2239
+ ATOM 1482 C CA . TRP B 1 231 ? -11.176 38.221 4.957 1.00 23.42 ? 113 TRP B CA 1
2240
+ ATOM 1483 C C . TRP B 1 231 ? -9.947 38.196 5.851 1.00 31.88 ? 113 TRP B C 1
2241
+ ATOM 1484 O O . TRP B 1 231 ? -9.322 39.227 6.105 1.00 23.43 ? 113 TRP B O 1
2242
+ ATOM 1485 C CB . TRP B 1 231 ? -10.761 37.959 3.508 1.00 24.26 ? 113 TRP B CB 1
2243
+ ATOM 1486 C CG . TRP B 1 231 ? -11.921 37.636 2.628 1.00 26.48 ? 113 TRP B CG 1
2244
+ ATOM 1487 C CD1 . TRP B 1 231 ? -12.679 38.521 1.905 1.00 26.46 ? 113 TRP B CD1 1
2245
+ ATOM 1488 C CD2 . TRP B 1 231 ? -12.475 36.334 2.381 1.00 28.47 ? 113 TRP B CD2 1
2246
+ ATOM 1489 N NE1 . TRP B 1 231 ? -13.665 37.847 1.223 1.00 30.32 ? 113 TRP B NE1 1
2247
+ ATOM 1490 C CE2 . TRP B 1 231 ? -13.564 36.505 1.499 1.00 32.20 ? 113 TRP B CE2 1
2248
+ ATOM 1491 C CE3 . TRP B 1 231 ? -12.153 35.037 2.815 1.00 27.05 ? 113 TRP B CE3 1
2249
+ ATOM 1492 C CZ2 . TRP B 1 231 ? -14.340 35.423 1.046 1.00 33.72 ? 113 TRP B CZ2 1
2250
+ ATOM 1493 C CZ3 . TRP B 1 231 ? -12.929 33.967 2.370 1.00 21.83 ? 113 TRP B CZ3 1
2251
+ ATOM 1494 C CH2 . TRP B 1 231 ? -14.005 34.169 1.492 1.00 22.77 ? 113 TRP B CH2 1
2252
+ ATOM 1495 N N . HIS B 1 232 ? -9.620 37.003 6.331 1.00 23.40 ? 114 HIS B N 1
2253
+ ATOM 1496 C CA . HIS B 1 232 ? -8.416 36.789 7.107 1.00 30.61 ? 114 HIS B CA 1
2254
+ ATOM 1497 C C . HIS B 1 232 ? -7.605 35.735 6.377 1.00 31.93 ? 114 HIS B C 1
2255
+ ATOM 1498 O O . HIS B 1 232 ? -8.172 34.796 5.842 1.00 19.95 ? 114 HIS B O 1
2256
+ ATOM 1499 C CB . HIS B 1 232 ? -8.765 36.288 8.497 1.00 22.00 ? 114 HIS B CB 1
2257
+ ATOM 1500 C CG . HIS B 1 232 ? -9.582 37.243 9.290 1.00 25.55 ? 114 HIS B CG 1
2258
+ ATOM 1501 N ND1 . HIS B 1 232 ? -9.023 38.276 10.012 1.00 30.37 ? 114 HIS B ND1 1
2259
+ ATOM 1502 C CD2 . HIS B 1 232 ? -10.921 37.329 9.476 1.00 32.14 ? 114 HIS B CD2 1
2260
+ ATOM 1503 C CE1 . HIS B 1 232 ? -9.986 38.966 10.597 1.00 33.85 ? 114 HIS B CE1 1
2261
+ ATOM 1504 N NE2 . HIS B 1 232 ? -11.145 38.412 10.286 1.00 35.48 ? 114 HIS B NE2 1
2262
+ ATOM 1505 N N . ARG B 1 233 ? -6.288 35.892 6.344 1.00 19.98 ? 115 ARG B N 1
2263
+ ATOM 1506 C CA . ARG B 1 233 ? -5.471 34.953 5.600 1.00 18.96 ? 115 ARG B CA 1
2264
+ ATOM 1507 C C . ARG B 1 233 ? -4.140 34.663 6.291 1.00 26.52 ? 115 ARG B C 1
2265
+ ATOM 1508 O O . ARG B 1 233 ? -3.459 35.571 6.764 1.00 31.68 ? 115 ARG B O 1
2266
+ ATOM 1509 C CB . ARG B 1 233 ? -5.255 35.467 4.173 1.00 28.82 ? 115 ARG B CB 1
2267
+ ATOM 1510 C CG . ARG B 1 233 ? -4.649 34.452 3.192 1.00 26.92 ? 115 ARG B CG 1
2268
+ ATOM 1511 C CD . ARG B 1 233 ? -4.534 35.036 1.770 1.00 17.81 ? 115 ARG B CD 1
2269
+ ATOM 1512 N NE . ARG B 1 233 ? -3.675 36.227 1.726 1.00 18.25 ? 115 ARG B NE 1
2270
+ ATOM 1513 C CZ . ARG B 1 233 ? -3.808 37.233 0.863 1.00 23.89 ? 115 ARG B CZ 1
2271
+ ATOM 1514 N NH1 . ARG B 1 233 ? -4.762 37.199 -0.058 1.00 20.07 ? 115 ARG B NH1 1
2272
+ ATOM 1515 N NH2 . ARG B 1 233 ? -2.972 38.268 0.908 1.00 23.08 ? 115 ARG B NH2 1
2273
+ ATOM 1516 N N . LEU B 1 234 ? -3.784 33.380 6.342 1.00 26.44 ? 116 LEU B N 1
2274
+ ATOM 1517 C CA . LEU B 1 234 ? -2.505 32.940 6.881 1.00 23.30 ? 116 LEU B CA 1
2275
+ ATOM 1518 C C . LEU B 1 234 ? -1.628 32.219 5.851 1.00 20.65 ? 116 LEU B C 1
2276
+ ATOM 1519 O O . LEU B 1 234 ? -2.040 31.240 5.239 1.00 17.78 ? 116 LEU B O 1
2277
+ ATOM 1520 C CB . LEU B 1 234 ? -2.718 32.035 8.084 1.00 19.79 ? 116 LEU B CB 1
2278
+ ATOM 1521 C CG . LEU B 1 234 ? -3.193 32.780 9.312 1.00 31.89 ? 116 LEU B CG 1
2279
+ ATOM 1522 C CD1 . LEU B 1 234 ? -3.637 31.771 10.362 1.00 29.05 ? 116 LEU B CD1 1
2280
+ ATOM 1523 C CD2 . LEU B 1 234 ? -2.077 33.687 9.823 1.00 32.96 ? 116 LEU B CD2 1
2281
+ ATOM 1524 N N . LEU B 1 235 ? -0.395 32.701 5.706 1.00 23.34 ? 117 LEU B N 1
2282
+ ATOM 1525 C CA . LEU B 1 235 ? 0.541 32.148 4.739 1.00 17.91 ? 117 LEU B CA 1
2283
+ ATOM 1526 C C . LEU B 1 235 ? 1.828 31.758 5.426 1.00 23.83 ? 117 LEU B C 1
2284
+ ATOM 1527 O O . LEU B 1 235 ? 2.476 32.594 6.067 1.00 28.11 ? 117 LEU B O 1
2285
+ ATOM 1528 C CB . LEU B 1 235 ? 0.844 33.173 3.648 1.00 20.58 ? 117 LEU B CB 1
2286
+ ATOM 1529 C CG . LEU B 1 235 ? -0.304 33.707 2.783 1.00 28.89 ? 117 LEU B CG 1
2287
+ ATOM 1530 C CD1 . LEU B 1 235 ? 0.145 34.943 1.934 1.00 16.98 ? 117 LEU B CD1 1
2288
+ ATOM 1531 C CD2 . LEU B 1 235 ? -0.878 32.574 1.894 1.00 18.76 ? 117 LEU B CD2 1
2289
+ ATOM 1532 N N . ARG B 1 236 ? 2.182 30.479 5.285 1.00 20.17 ? 118 ARG B N 1
2290
+ ATOM 1533 C CA . ARG B 1 236 ? 3.479 29.953 5.686 1.00 26.64 ? 118 ARG B CA 1
2291
+ ATOM 1534 C C . ARG B 1 236 ? 4.620 30.836 5.171 1.00 22.02 ? 118 ARG B C 1
2292
+ ATOM 1535 O O . ARG B 1 236 ? 4.759 31.049 3.963 1.00 26.97 ? 118 ARG B O 1
2293
+ ATOM 1536 C CB . ARG B 1 236 ? 3.630 28.514 5.160 1.00 31.38 ? 118 ARG B CB 1
2294
+ ATOM 1537 C CG . ARG B 1 236 ? 4.945 27.804 5.535 1.00 38.27 ? 118 ARG B CG 1
2295
+ ATOM 1538 C CD . ARG B 1 236 ? 4.971 27.237 6.967 1.00 40.46 ? 118 ARG B CD 1
2296
+ ATOM 1539 N NE . ARG B 1 236 ? 5.684 28.118 7.876 1.00 47.57 ? 118 ARG B NE 1
2297
+ ATOM 1540 C CZ . ARG B 1 236 ? 6.927 27.929 8.311 1.00 33.59 ? 118 ARG B CZ 1
2298
+ ATOM 1541 N NH1 . ARG B 1 236 ? 7.617 26.859 7.957 1.00 26.30 ? 118 ARG B NH1 1
2299
+ ATOM 1542 N NH2 . ARG B 1 236 ? 7.465 28.818 9.130 1.00 28.58 ? 118 ARG B NH2 1
2300
+ ATOM 1543 N N . MET B 1 237 ? 5.437 31.342 6.086 1.00 20.69 ? 119 MET B N 1
2301
+ ATOM 1544 C CA . MET B 1 237 ? 6.525 32.233 5.699 1.00 25.49 ? 119 MET B CA 1
2302
+ ATOM 1545 C C . MET B 1 237 ? 7.775 31.956 6.524 1.00 21.98 ? 119 MET B C 1
2303
+ ATOM 1546 O O . MET B 1 237 ? 7.991 32.573 7.567 1.00 27.94 ? 119 MET B O 1
2304
+ ATOM 1547 C CB . MET B 1 237 ? 6.086 33.685 5.860 1.00 32.31 ? 119 MET B CB 1
2305
+ ATOM 1548 C CG . MET B 1 237 ? 6.859 34.654 4.984 1.00 35.73 ? 119 MET B CG 1
2306
+ ATOM 1549 S SD . MET B 1 237 ? 6.555 34.384 3.231 1.00 40.96 ? 119 MET B SD 1
2307
+ ATOM 1550 C CE . MET B 1 237 ? 4.781 34.647 3.174 1.00 55.57 ? 119 MET B CE 1
2308
+ ATOM 1551 N N . PRO B 1 238 ? 8.597 31.001 6.071 1.00 27.77 ? 120 PRO B N 1
2309
+ ATOM 1552 C CA . PRO B 1 238 ? 9.741 30.537 6.861 1.00 46.38 ? 120 PRO B CA 1
2310
+ ATOM 1553 C C . PRO B 1 238 ? 11.012 31.382 6.688 1.00 50.10 ? 120 PRO B C 1
2311
+ ATOM 1554 O O . PRO B 1 238 ? 11.270 31.890 5.595 1.00 33.90 ? 120 PRO B O 1
2312
+ ATOM 1555 C CB . PRO B 1 238 ? 9.983 29.138 6.298 1.00 43.08 ? 120 PRO B CB 1
2313
+ ATOM 1556 C CG . PRO B 1 238 ? 9.621 29.274 4.861 1.00 38.49 ? 120 PRO B CG 1
2314
+ ATOM 1557 C CD . PRO B 1 238 ? 8.479 30.269 4.800 1.00 32.90 ? 120 PRO B CD 1
2315
+ ATOM 1558 N N . VAL B 1 239 ? 11.774 31.540 7.771 1.00 61.83 ? 121 VAL B N 1
2316
+ ATOM 1559 C CA . VAL B 1 239 ? 13.172 31.958 7.674 1.00 66.05 ? 121 VAL B CA 1
2317
+ ATOM 1560 C C . VAL B 1 239 ? 14.035 30.963 8.429 1.00 68.16 ? 121 VAL B C 1
2318
+ ATOM 1561 O O . VAL B 1 239 ? 13.977 30.902 9.660 1.00 69.20 ? 121 VAL B O 1
2319
+ ATOM 1562 C CB . VAL B 1 239 ? 13.442 33.345 8.277 1.00 66.37 ? 121 VAL B CB 1
2320
+ ATOM 1563 C CG1 . VAL B 1 239 ? 14.910 33.712 8.080 1.00 65.82 ? 121 VAL B CG1 1
2321
+ ATOM 1564 C CG2 . VAL B 1 239 ? 12.553 34.392 7.643 1.00 71.33 ? 121 VAL B CG2 1
2322
+ HETATM 1565 O O . HOH C 2 . ? -4.067 31.048 14.052 1.00 35.62 ? 201 HOH A O 1
2323
+ HETATM 1566 O O . HOH C 2 . ? -12.280 22.572 12.582 1.00 37.27 ? 202 HOH A O 1
2324
+ HETATM 1567 O O . HOH C 2 . ? 1.426 42.503 -4.550 1.00 35.30 ? 203 HOH A O 1
2325
+ HETATM 1568 O O . HOH C 2 . ? -17.023 27.019 5.533 1.00 24.22 ? 204 HOH A O 1
2326
+ HETATM 1569 O O . HOH C 2 . ? -0.561 24.299 11.993 1.00 28.20 ? 205 HOH A O 1
2327
+ HETATM 1570 O O . HOH C 2 . ? -3.086 34.615 -23.074 1.00 46.86 ? 206 HOH A O 1
2328
+ HETATM 1571 O O . HOH C 2 . ? 3.840 22.776 7.002 1.00 34.06 ? 207 HOH A O 1
2329
+ HETATM 1572 O O . HOH C 2 . ? 0.748 39.473 -4.343 1.00 46.46 ? 208 HOH A O 1
2330
+ HETATM 1573 O O . HOH C 2 . ? 14.436 22.889 -5.819 1.00 43.79 ? 209 HOH A O 1
2331
+ HETATM 1574 O O . HOH C 2 . ? 12.699 33.066 -1.914 1.00 42.45 ? 210 HOH A O 1
2332
+ HETATM 1575 O O . HOH C 2 . ? 8.864 19.841 6.849 1.00 36.92 ? 211 HOH A O 1
2333
+ HETATM 1576 O O . HOH C 2 . ? 17.539 36.164 -10.660 1.00 34.20 ? 212 HOH A O 1
2334
+ HETATM 1577 O O . HOH C 2 . ? 0.878 32.915 -4.136 1.00 44.23 ? 213 HOH A O 1
2335
+ HETATM 1578 O O . HOH C 2 . ? -15.606 21.798 -4.671 1.00 36.76 ? 214 HOH A O 1
2336
+ HETATM 1579 O O . HOH C 2 . ? -2.863 42.351 -8.819 1.00 42.97 ? 215 HOH A O 1
2337
+ HETATM 1580 O O . HOH C 2 . ? -4.986 25.537 -12.905 1.00 23.48 ? 216 HOH A O 1
2338
+ HETATM 1581 O O . HOH C 2 . ? -3.565 28.818 -9.507 1.00 23.70 ? 217 HOH A O 1
2339
+ HETATM 1582 O O . HOH C 2 . ? -13.395 23.384 -1.071 1.00 37.17 ? 218 HOH A O 1
2340
+ HETATM 1583 O O . HOH C 2 . ? -4.614 24.647 -17.801 1.00 43.10 ? 219 HOH A O 1
2341
+ HETATM 1584 O O . HOH C 2 . ? -4.675 18.473 13.231 1.00 27.52 ? 220 HOH A O 1
2342
+ HETATM 1585 O O . HOH C 2 . ? 4.535 48.778 -9.555 1.00 39.76 ? 221 HOH A O 1
2343
+ HETATM 1586 O O . HOH C 2 . ? 10.191 18.037 1.223 1.00 49.31 ? 222 HOH A O 1
2344
+ HETATM 1587 O O . HOH C 2 . ? -14.753 26.094 20.799 1.00 37.72 ? 223 HOH A O 1
2345
+ HETATM 1588 O O . HOH C 2 . ? 10.177 25.392 4.382 1.00 43.54 ? 224 HOH A O 1
2346
+ HETATM 1589 O O . HOH C 2 . ? 14.586 33.741 -4.002 1.00 23.82 ? 225 HOH A O 1
2347
+ HETATM 1590 O O . HOH C 2 . ? 17.919 34.543 -3.522 1.00 45.64 ? 226 HOH A O 1
2348
+ HETATM 1591 O O . HOH C 2 . ? -16.255 29.457 22.812 0.50 54.34 ? 227 HOH A O 1
2349
+ HETATM 1592 O O . HOH C 2 . ? -6.031 33.898 14.341 1.00 40.47 ? 228 HOH A O 1
2350
+ HETATM 1593 O O . HOH C 2 . ? -8.942 18.808 -2.869 1.00 35.69 ? 229 HOH A O 1
2351
+ HETATM 1594 O O . HOH C 2 . ? 15.369 24.391 2.814 1.00 33.97 ? 230 HOH A O 1
2352
+ HETATM 1595 O O . HOH C 2 . ? -19.781 27.656 6.048 1.00 45.74 ? 231 HOH A O 1
2353
+ HETATM 1596 O O . HOH C 2 . ? -21.198 25.637 7.594 1.00 43.82 ? 232 HOH A O 1
2354
+ HETATM 1597 O O . HOH C 2 . ? 15.330 21.712 1.927 1.00 41.44 ? 233 HOH A O 1
2355
+ HETATM 1598 O O . HOH C 2 . ? 9.045 13.269 6.269 1.00 39.63 ? 234 HOH A O 1
2356
+ HETATM 1599 O O . HOH C 2 . ? 11.078 14.488 6.572 1.00 38.95 ? 235 HOH A O 1
2357
+ #
2358
+ loop_
2359
+ _pdbx_poly_seq_scheme.asym_id
2360
+ _pdbx_poly_seq_scheme.entity_id
2361
+ _pdbx_poly_seq_scheme.seq_id
2362
+ _pdbx_poly_seq_scheme.mon_id
2363
+ _pdbx_poly_seq_scheme.ndb_seq_num
2364
+ _pdbx_poly_seq_scheme.pdb_seq_num
2365
+ _pdbx_poly_seq_scheme.auth_seq_num
2366
+ _pdbx_poly_seq_scheme.pdb_mon_id
2367
+ _pdbx_poly_seq_scheme.auth_mon_id
2368
+ _pdbx_poly_seq_scheme.pdb_strand_id
2369
+ _pdbx_poly_seq_scheme.pdb_ins_code
2370
+ _pdbx_poly_seq_scheme.hetero
2371
+ A 1 1 MET 1 -117 ? ? ? A . n
2372
+ A 1 2 GLU 2 -116 ? ? ? A . n
2373
+ A 1 3 ASP 3 -115 ? ? ? A . n
2374
+ A 1 4 LEU 4 -114 ? ? ? A . n
2375
+ A 1 5 GLN 5 -113 ? ? ? A . n
2376
+ A 1 6 LYS 6 -112 ? ? ? A . n
2377
+ A 1 7 ALA 7 -111 ? ? ? A . n
2378
+ A 1 8 LEU 8 -110 ? ? ? A . n
2379
+ A 1 9 GLU 9 -109 ? ? ? A . n
2380
+ A 1 10 ALA 10 -108 ? ? ? A . n
2381
+ A 1 11 GLN 11 -107 ? ? ? A . n
2382
+ A 1 12 SER 12 -106 ? ? ? A . n
2383
+ A 1 13 ARG 13 -105 ? ? ? A . n
2384
+ A 1 14 ALA 14 -104 ? ? ? A . n
2385
+ A 1 15 LEU 15 -103 ? ? ? A . n
2386
+ A 1 16 ARG 16 -102 ? ? ? A . n
2387
+ A 1 17 ALA 17 -101 ? ? ? A . n
2388
+ A 1 18 GLU 18 -100 ? ? ? A . n
2389
+ A 1 19 LEU 19 -99 ? ? ? A . n
2390
+ A 1 20 ALA 20 -98 ? ? ? A . n
2391
+ A 1 21 ALA 21 -97 ? ? ? A . n
2392
+ A 1 22 GLY 22 -96 ? ? ? A . n
2393
+ A 1 23 ALA 23 -95 ? ? ? A . n
2394
+ A 1 24 SER 24 -94 ? ? ? A . n
2395
+ A 1 25 GLN 25 -93 ? ? ? A . n
2396
+ A 1 26 SER 26 -92 ? ? ? A . n
2397
+ A 1 27 ARG 27 -91 ? ? ? A . n
2398
+ A 1 28 ARG 28 -90 ? ? ? A . n
2399
+ A 1 29 PRO 29 -89 ? ? ? A . n
2400
+ A 1 30 ARG 30 -88 ? ? ? A . n
2401
+ A 1 31 PRO 31 -87 ? ? ? A . n
2402
+ A 1 32 PRO 32 -86 ? ? ? A . n
2403
+ A 1 33 ARG 33 -85 ? ? ? A . n
2404
+ A 1 34 GLN 34 -84 ? ? ? A . n
2405
+ A 1 35 ARG 35 -83 ? ? ? A . n
2406
+ A 1 36 ASP 36 -82 ? ? ? A . n
2407
+ A 1 37 SER 37 -81 ? ? ? A . n
2408
+ A 1 38 SER 38 -80 ? ? ? A . n
2409
+ A 1 39 THR 39 -79 ? ? ? A . n
2410
+ A 1 40 SER 40 -78 ? ? ? A . n
2411
+ A 1 41 GLY 41 -77 ? ? ? A . n
2412
+ A 1 42 ASP 42 -76 ? ? ? A . n
2413
+ A 1 43 ASP 43 -75 ? ? ? A . n
2414
+ A 1 44 SER 44 -74 ? ? ? A . n
2415
+ A 1 45 GLY 45 -73 ? ? ? A . n
2416
+ A 1 46 ARG 46 -72 ? ? ? A . n
2417
+ A 1 47 ASP 47 -71 ? ? ? A . n
2418
+ A 1 48 SER 48 -70 ? ? ? A . n
2419
+ A 1 49 GLY 49 -69 ? ? ? A . n
2420
+ A 1 50 GLY 50 -68 ? ? ? A . n
2421
+ A 1 51 PRO 51 -67 ? ? ? A . n
2422
+ A 1 52 ARG 52 -66 ? ? ? A . n
2423
+ A 1 53 ARG 53 -65 ? ? ? A . n
2424
+ A 1 54 ARG 54 -64 ? ? ? A . n
2425
+ A 1 55 ARG 55 -63 ? ? ? A . n
2426
+ A 1 56 GLY 56 -62 ? ? ? A . n
2427
+ A 1 57 ASN 57 -61 ? ? ? A . n
2428
+ A 1 58 ARG 58 -60 ? ? ? A . n
2429
+ A 1 59 GLY 59 -59 ? ? ? A . n
2430
+ A 1 60 ARG 60 -58 ? ? ? A . n
2431
+ A 1 61 GLY 61 -57 ? ? ? A . n
2432
+ A 1 62 GLN 62 -56 ? ? ? A . n
2433
+ A 1 63 ARG 63 -55 ? ? ? A . n
2434
+ A 1 64 ARG 64 -54 ? ? ? A . n
2435
+ A 1 65 ASP 65 -53 ? ? ? A . n
2436
+ A 1 66 TRP 66 -52 ? ? ? A . n
2437
+ A 1 67 SER 67 -51 ? ? ? A . n
2438
+ A 1 68 ARG 68 -50 ? ? ? A . n
2439
+ A 1 69 ALA 69 -49 ? ? ? A . n
2440
+ A 1 70 PRO 70 -48 ? ? ? A . n
2441
+ A 1 71 PRO 71 -47 ? ? ? A . n
2442
+ A 1 72 PRO 72 -46 ? ? ? A . n
2443
+ A 1 73 PRO 73 -45 ? ? ? A . n
2444
+ A 1 74 GLU 74 -44 ? ? ? A . n
2445
+ A 1 75 GLU 75 -43 ? ? ? A . n
2446
+ A 1 76 ARG 76 -42 ? ? ? A . n
2447
+ A 1 77 GLN 77 -41 ? ? ? A . n
2448
+ A 1 78 GLU 78 -40 ? ? ? A . n
2449
+ A 1 79 THR 79 -39 ? ? ? A . n
2450
+ A 1 80 ARG 80 -38 ? ? ? A . n
2451
+ A 1 81 SER 81 -37 ? ? ? A . n
2452
+ A 1 82 GLN 82 -36 ? ? ? A . n
2453
+ A 1 83 THR 83 -35 ? ? ? A . n
2454
+ A 1 84 PRO 84 -34 ? ? ? A . n
2455
+ A 1 85 ALA 85 -33 ? ? ? A . n
2456
+ A 1 86 PRO 86 -32 ? ? ? A . n
2457
+ A 1 87 LYS 87 -31 ? ? ? A . n
2458
+ A 1 88 PRO 88 -30 ? ? ? A . n
2459
+ A 1 89 SER 89 -29 ? ? ? A . n
2460
+ A 1 90 ARG 90 -28 ? ? ? A . n
2461
+ A 1 91 ALA 91 -27 ? ? ? A . n
2462
+ A 1 92 PRO 92 -26 ? ? ? A . n
2463
+ A 1 93 PRO 93 -25 ? ? ? A . n
2464
+ A 1 94 GLN 94 -24 ? ? ? A . n
2465
+ A 1 95 GLN 95 -23 ? ? ? A . n
2466
+ A 1 96 PRO 96 -22 ? ? ? A . n
2467
+ A 1 97 GLN 97 -21 ? ? ? A . n
2468
+ A 1 98 PRO 98 -20 ? ? ? A . n
2469
+ A 1 99 PRO 99 -19 ? ? ? A . n
2470
+ A 1 100 ARG 100 -18 ? ? ? A . n
2471
+ A 1 101 MET 101 -17 ? ? ? A . n
2472
+ A 1 102 GLN 102 -16 ? ? ? A . n
2473
+ A 1 103 THR 103 -15 ? ? ? A . n
2474
+ A 1 104 GLY 104 -14 ? ? ? A . n
2475
+ A 1 105 ARG 105 -13 ? ? ? A . n
2476
+ A 1 106 GLY 106 -12 ? ? ? A . n
2477
+ A 1 107 GLY 107 -11 ? ? ? A . n
2478
+ A 1 108 SER 108 -10 ? ? ? A . n
2479
+ A 1 109 ALA 109 -9 ? ? ? A . n
2480
+ A 1 110 PRO 110 -8 ? ? ? A . n
2481
+ A 1 111 ARG 111 -7 ? ? ? A . n
2482
+ A 1 112 PRO 112 -6 ? ? ? A . n
2483
+ A 1 113 GLU 113 -5 ? ? ? A . n
2484
+ A 1 114 LEU 114 -4 ? ? ? A . n
2485
+ A 1 115 GLY 115 -3 ? ? ? A . n
2486
+ A 1 116 PRO 116 -2 ? ? ? A . n
2487
+ A 1 117 PRO 117 -1 ? ? ? A . n
2488
+ A 1 118 THR 118 0 ? ? ? A . n
2489
+ A 1 119 ASN 119 1 ? ? ? A . n
2490
+ A 1 120 PRO 120 2 ? ? ? A . n
2491
+ A 1 121 PHE 121 3 ? ? ? A . n
2492
+ A 1 122 GLN 122 4 ? ? ? A . n
2493
+ A 1 123 ALA 123 5 ? ? ? A . n
2494
+ A 1 124 ALA 124 6 ? ? ? A . n
2495
+ A 1 125 VAL 125 7 ? ? ? A . n
2496
+ A 1 126 ALA 126 8 ? ? ? A . n
2497
+ A 1 127 ARG 127 9 ? ? ? A . n
2498
+ A 1 128 GLY 128 10 ? ? ? A . n
2499
+ A 1 129 LEU 129 11 ? ? ? A . n
2500
+ A 1 130 ARG 130 12 ? ? ? A . n
2501
+ A 1 131 PRO 131 13 ? ? ? A . n
2502
+ A 1 132 PRO 132 14 ? ? ? A . n
2503
+ A 1 133 LEU 133 15 ? ? ? A . n
2504
+ A 1 134 HIS 134 16 ? ? ? A . n
2505
+ A 1 135 ASP 135 17 ? ? ? A . n
2506
+ A 1 136 PRO 136 18 ? ? ? A . n
2507
+ A 1 137 ASP 137 19 ? ? ? A . n
2508
+ A 1 138 THR 138 20 ? ? ? A . n
2509
+ A 1 139 GLU 139 21 ? ? ? A . n
2510
+ A 1 140 ALA 140 22 ? ? ? A . n
2511
+ A 1 141 PRO 141 23 ? ? ? A . n
2512
+ A 1 142 THR 142 24 24 THR THR A . n
2513
+ A 1 143 GLU 143 25 25 GLU GLU A . n
2514
+ A 1 144 ALA 144 26 26 ALA ALA A . n
2515
+ A 1 145 CYS 145 27 27 CYS CYS A . n
2516
+ A 1 146 VAL 146 28 28 VAL VAL A . n
2517
+ A 1 147 THR 147 29 29 THR THR A . n
2518
+ A 1 148 SER 148 30 30 SER SER A . n
2519
+ A 1 149 TRP 149 31 31 TRP TRP A . n
2520
+ A 1 150 LEU 150 32 32 LEU LEU A . n
2521
+ A 1 151 TRP 151 33 33 TRP TRP A . n
2522
+ A 1 152 SER 152 34 34 SER SER A . n
2523
+ A 1 153 GLU 153 35 35 GLU GLU A . n
2524
+ A 1 154 GLY 154 36 36 GLY GLY A . n
2525
+ A 1 155 GLU 155 37 37 GLU GLU A . n
2526
+ A 1 156 GLY 156 38 38 GLY GLY A . n
2527
+ A 1 157 ALA 157 39 39 ALA ALA A . n
2528
+ A 1 158 VAL 158 40 40 VAL VAL A . n
2529
+ A 1 159 PHE 159 41 41 PHE PHE A . n
2530
+ A 1 160 TYR 160 42 42 TYR TYR A . n
2531
+ A 1 161 ARG 161 43 43 ARG ARG A . n
2532
+ A 1 162 VAL 162 44 44 VAL VAL A . n
2533
+ A 1 163 ASP 163 45 45 ASP ASP A . n
2534
+ A 1 164 LEU 164 46 46 LEU LEU A . n
2535
+ A 1 165 HIS 165 47 47 HIS HIS A . n
2536
+ A 1 166 PHE 166 48 48 PHE PHE A . n
2537
+ A 1 167 THR 167 49 49 THR THR A . n
2538
+ A 1 168 ASN 168 50 50 ASN ASN A . n
2539
+ A 1 169 LEU 169 51 51 LEU LEU A . n
2540
+ A 1 170 GLY 170 52 52 GLY GLY A . n
2541
+ A 1 171 THR 171 53 53 THR THR A . n
2542
+ A 1 172 PRO 172 54 54 PRO PRO A . n
2543
+ A 1 173 PRO 173 55 55 PRO PRO A . n
2544
+ A 1 174 LEU 174 56 56 LEU LEU A . n
2545
+ A 1 175 ASP 175 57 57 ASP ASP A . n
2546
+ A 1 176 GLU 176 58 58 GLU GLU A . n
2547
+ A 1 177 ASP 177 59 59 ASP ASP A . n
2548
+ A 1 178 GLY 178 60 60 GLY GLY A . n
2549
+ A 1 179 ARG 179 61 61 ARG ARG A . n
2550
+ A 1 180 TRP 180 62 62 TRP TRP A . n
2551
+ A 1 181 ASP 181 63 63 ASP ASP A . n
2552
+ A 1 182 PRO 182 64 64 PRO PRO A . n
2553
+ A 1 183 ALA 183 65 65 ALA ALA A . n
2554
+ A 1 184 LEU 184 66 66 LEU LEU A . n
2555
+ A 1 185 MET 185 67 67 MET MET A . n
2556
+ A 1 186 TYR 186 68 68 TYR TYR A . n
2557
+ A 1 187 ASN 187 69 69 ASN ASN A . n
2558
+ A 1 188 PRO 188 70 70 PRO PRO A . n
2559
+ A 1 189 CYS 189 71 71 CYS CYS A . n
2560
+ A 1 190 GLY 190 72 72 GLY GLY A . n
2561
+ A 1 191 PRO 191 73 73 PRO PRO A . n
2562
+ A 1 192 GLU 192 74 74 GLU GLU A . n
2563
+ A 1 193 PRO 193 75 75 PRO PRO A . n
2564
+ A 1 194 PRO 194 76 76 PRO PRO A . n
2565
+ A 1 195 ALA 195 77 77 ALA ALA A . n
2566
+ A 1 196 HIS 196 78 78 HIS HIS A . n
2567
+ A 1 197 VAL 197 79 79 VAL VAL A . n
2568
+ A 1 198 VAL 198 80 80 VAL VAL A . n
2569
+ A 1 199 ARG 199 81 81 ARG ARG A . n
2570
+ A 1 200 ALA 200 82 82 ALA ALA A . n
2571
+ A 1 201 TYR 201 83 83 TYR TYR A . n
2572
+ A 1 202 ASN 202 84 84 ASN ASN A . n
2573
+ A 1 203 GLN 203 85 85 GLN GLN A . n
2574
+ A 1 204 PRO 204 86 86 PRO PRO A . n
2575
+ A 1 205 ALA 205 87 87 ALA ALA A . n
2576
+ A 1 206 GLY 206 88 88 GLY GLY A . n
2577
+ A 1 207 ASP 207 89 89 ASP ASP A . n
2578
+ A 1 208 VAL 208 90 90 VAL VAL A . n
2579
+ A 1 209 ARG 209 91 91 ARG ARG A . n
2580
+ A 1 210 GLY 210 92 92 GLY GLY A . n
2581
+ A 1 211 VAL 211 93 93 VAL VAL A . n
2582
+ A 1 212 TRP 212 94 94 TRP TRP A . n
2583
+ A 1 213 GLY 213 95 95 GLY GLY A . n
2584
+ A 1 214 LYS 214 96 96 LYS LYS A . n
2585
+ A 1 215 GLY 215 97 97 GLY GLY A . n
2586
+ A 1 216 GLU 216 98 98 GLU GLU A . n
2587
+ A 1 217 ARG 217 99 99 ARG ARG A . n
2588
+ A 1 218 THR 218 100 100 THR THR A . n
2589
+ A 1 219 TYR 219 101 101 TYR TYR A . n
2590
+ A 1 220 ALA 220 102 102 ALA ALA A . n
2591
+ A 1 221 GLU 221 103 103 GLU GLU A . n
2592
+ A 1 222 GLN 222 104 104 GLN GLN A . n
2593
+ A 1 223 ASP 223 105 105 ASP ASP A . n
2594
+ A 1 224 PHE 224 106 106 PHE PHE A . n
2595
+ A 1 225 ARG 225 107 107 ARG ARG A . n
2596
+ A 1 226 VAL 226 108 108 VAL VAL A . n
2597
+ A 1 227 GLY 227 109 109 GLY GLY A . n
2598
+ A 1 228 GLY 228 110 110 GLY GLY A . n
2599
+ A 1 229 THR 229 111 111 THR THR A . n
2600
+ A 1 230 ARG 230 112 112 ARG ARG A . n
2601
+ A 1 231 TRP 231 113 113 TRP TRP A . n
2602
+ A 1 232 HIS 232 114 114 HIS HIS A . n
2603
+ A 1 233 ARG 233 115 115 ARG ARG A . n
2604
+ A 1 234 LEU 234 116 116 LEU LEU A . n
2605
+ A 1 235 LEU 235 117 117 LEU LEU A . n
2606
+ A 1 236 ARG 236 118 118 ARG ARG A . n
2607
+ A 1 237 MET 237 119 119 MET MET A . n
2608
+ A 1 238 PRO 238 120 120 PRO PRO A . n
2609
+ A 1 239 VAL 239 121 121 VAL VAL A . n
2610
+ A 1 240 ARG 240 122 ? ? ? A . n
2611
+ A 1 241 GLY 241 123 ? ? ? A . n
2612
+ A 1 242 LEU 242 124 ? ? ? A . n
2613
+ A 1 243 ASP 243 125 ? ? ? A . n
2614
+ A 1 244 GLY 244 126 ? ? ? A . n
2615
+ A 1 245 ASP 245 127 ? ? ? A . n
2616
+ A 1 246 SER 246 128 ? ? ? A . n
2617
+ A 1 247 ALA 247 129 ? ? ? A . n
2618
+ A 1 248 PRO 248 130 ? ? ? A . n
2619
+ A 1 249 LEU 249 131 ? ? ? A . n
2620
+ A 1 250 PRO 250 132 ? ? ? A . n
2621
+ A 1 251 PRO 251 133 ? ? ? A . n
2622
+ A 1 252 HIS 252 134 ? ? ? A . n
2623
+ A 1 253 THR 253 135 ? ? ? A . n
2624
+ A 1 254 THR 254 136 ? ? ? A . n
2625
+ A 1 255 GLU 255 137 ? ? ? A . n
2626
+ A 1 256 ARG 256 138 ? ? ? A . n
2627
+ A 1 257 ILE 257 139 ? ? ? A . n
2628
+ A 1 258 GLU 258 140 ? ? ? A . n
2629
+ A 1 259 THR 259 141 ? ? ? A . n
2630
+ A 1 260 ARG 260 142 ? ? ? A . n
2631
+ A 1 261 SER 261 143 ? ? ? A . n
2632
+ A 1 262 ALA 262 144 ? ? ? A . n
2633
+ A 1 263 ARG 263 145 ? ? ? A . n
2634
+ A 1 264 HIS 264 146 ? ? ? A . n
2635
+ A 1 265 PRO 265 147 ? ? ? A . n
2636
+ A 1 266 TRP 266 148 ? ? ? A . n
2637
+ A 1 267 ARG 267 149 ? ? ? A . n
2638
+ A 1 268 ILE 268 150 ? ? ? A . n
2639
+ A 1 269 ARG 269 151 ? ? ? A . n
2640
+ B 1 1 MET 1 -117 ? ? ? B . n
2641
+ B 1 2 GLU 2 -116 ? ? ? B . n
2642
+ B 1 3 ASP 3 -115 ? ? ? B . n
2643
+ B 1 4 LEU 4 -114 ? ? ? B . n
2644
+ B 1 5 GLN 5 -113 ? ? ? B . n
2645
+ B 1 6 LYS 6 -112 ? ? ? B . n
2646
+ B 1 7 ALA 7 -111 ? ? ? B . n
2647
+ B 1 8 LEU 8 -110 ? ? ? B . n
2648
+ B 1 9 GLU 9 -109 ? ? ? B . n
2649
+ B 1 10 ALA 10 -108 ? ? ? B . n
2650
+ B 1 11 GLN 11 -107 ? ? ? B . n
2651
+ B 1 12 SER 12 -106 ? ? ? B . n
2652
+ B 1 13 ARG 13 -105 ? ? ? B . n
2653
+ B 1 14 ALA 14 -104 ? ? ? B . n
2654
+ B 1 15 LEU 15 -103 ? ? ? B . n
2655
+ B 1 16 ARG 16 -102 ? ? ? B . n
2656
+ B 1 17 ALA 17 -101 ? ? ? B . n
2657
+ B 1 18 GLU 18 -100 ? ? ? B . n
2658
+ B 1 19 LEU 19 -99 ? ? ? B . n
2659
+ B 1 20 ALA 20 -98 ? ? ? B . n
2660
+ B 1 21 ALA 21 -97 ? ? ? B . n
2661
+ B 1 22 GLY 22 -96 ? ? ? B . n
2662
+ B 1 23 ALA 23 -95 ? ? ? B . n
2663
+ B 1 24 SER 24 -94 ? ? ? B . n
2664
+ B 1 25 GLN 25 -93 ? ? ? B . n
2665
+ B 1 26 SER 26 -92 ? ? ? B . n
2666
+ B 1 27 ARG 27 -91 ? ? ? B . n
2667
+ B 1 28 ARG 28 -90 ? ? ? B . n
2668
+ B 1 29 PRO 29 -89 ? ? ? B . n
2669
+ B 1 30 ARG 30 -88 ? ? ? B . n
2670
+ B 1 31 PRO 31 -87 ? ? ? B . n
2671
+ B 1 32 PRO 32 -86 ? ? ? B . n
2672
+ B 1 33 ARG 33 -85 ? ? ? B . n
2673
+ B 1 34 GLN 34 -84 ? ? ? B . n
2674
+ B 1 35 ARG 35 -83 ? ? ? B . n
2675
+ B 1 36 ASP 36 -82 ? ? ? B . n
2676
+ B 1 37 SER 37 -81 ? ? ? B . n
2677
+ B 1 38 SER 38 -80 ? ? ? B . n
2678
+ B 1 39 THR 39 -79 ? ? ? B . n
2679
+ B 1 40 SER 40 -78 ? ? ? B . n
2680
+ B 1 41 GLY 41 -77 ? ? ? B . n
2681
+ B 1 42 ASP 42 -76 ? ? ? B . n
2682
+ B 1 43 ASP 43 -75 ? ? ? B . n
2683
+ B 1 44 SER 44 -74 ? ? ? B . n
2684
+ B 1 45 GLY 45 -73 ? ? ? B . n
2685
+ B 1 46 ARG 46 -72 ? ? ? B . n
2686
+ B 1 47 ASP 47 -71 ? ? ? B . n
2687
+ B 1 48 SER 48 -70 ? ? ? B . n
2688
+ B 1 49 GLY 49 -69 ? ? ? B . n
2689
+ B 1 50 GLY 50 -68 ? ? ? B . n
2690
+ B 1 51 PRO 51 -67 ? ? ? B . n
2691
+ B 1 52 ARG 52 -66 ? ? ? B . n
2692
+ B 1 53 ARG 53 -65 ? ? ? B . n
2693
+ B 1 54 ARG 54 -64 ? ? ? B . n
2694
+ B 1 55 ARG 55 -63 ? ? ? B . n
2695
+ B 1 56 GLY 56 -62 ? ? ? B . n
2696
+ B 1 57 ASN 57 -61 ? ? ? B . n
2697
+ B 1 58 ARG 58 -60 ? ? ? B . n
2698
+ B 1 59 GLY 59 -59 ? ? ? B . n
2699
+ B 1 60 ARG 60 -58 ? ? ? B . n
2700
+ B 1 61 GLY 61 -57 ? ? ? B . n
2701
+ B 1 62 GLN 62 -56 ? ? ? B . n
2702
+ B 1 63 ARG 63 -55 ? ? ? B . n
2703
+ B 1 64 ARG 64 -54 ? ? ? B . n
2704
+ B 1 65 ASP 65 -53 ? ? ? B . n
2705
+ B 1 66 TRP 66 -52 ? ? ? B . n
2706
+ B 1 67 SER 67 -51 ? ? ? B . n
2707
+ B 1 68 ARG 68 -50 ? ? ? B . n
2708
+ B 1 69 ALA 69 -49 ? ? ? B . n
2709
+ B 1 70 PRO 70 -48 ? ? ? B . n
2710
+ B 1 71 PRO 71 -47 ? ? ? B . n
2711
+ B 1 72 PRO 72 -46 ? ? ? B . n
2712
+ B 1 73 PRO 73 -45 ? ? ? B . n
2713
+ B 1 74 GLU 74 -44 ? ? ? B . n
2714
+ B 1 75 GLU 75 -43 ? ? ? B . n
2715
+ B 1 76 ARG 76 -42 ? ? ? B . n
2716
+ B 1 77 GLN 77 -41 ? ? ? B . n
2717
+ B 1 78 GLU 78 -40 ? ? ? B . n
2718
+ B 1 79 THR 79 -39 ? ? ? B . n
2719
+ B 1 80 ARG 80 -38 ? ? ? B . n
2720
+ B 1 81 SER 81 -37 ? ? ? B . n
2721
+ B 1 82 GLN 82 -36 ? ? ? B . n
2722
+ B 1 83 THR 83 -35 ? ? ? B . n
2723
+ B 1 84 PRO 84 -34 ? ? ? B . n
2724
+ B 1 85 ALA 85 -33 ? ? ? B . n
2725
+ B 1 86 PRO 86 -32 ? ? ? B . n
2726
+ B 1 87 LYS 87 -31 ? ? ? B . n
2727
+ B 1 88 PRO 88 -30 ? ? ? B . n
2728
+ B 1 89 SER 89 -29 ? ? ? B . n
2729
+ B 1 90 ARG 90 -28 ? ? ? B . n
2730
+ B 1 91 ALA 91 -27 ? ? ? B . n
2731
+ B 1 92 PRO 92 -26 ? ? ? B . n
2732
+ B 1 93 PRO 93 -25 ? ? ? B . n
2733
+ B 1 94 GLN 94 -24 ? ? ? B . n
2734
+ B 1 95 GLN 95 -23 ? ? ? B . n
2735
+ B 1 96 PRO 96 -22 ? ? ? B . n
2736
+ B 1 97 GLN 97 -21 ? ? ? B . n
2737
+ B 1 98 PRO 98 -20 ? ? ? B . n
2738
+ B 1 99 PRO 99 -19 ? ? ? B . n
2739
+ B 1 100 ARG 100 -18 ? ? ? B . n
2740
+ B 1 101 MET 101 -17 ? ? ? B . n
2741
+ B 1 102 GLN 102 -16 ? ? ? B . n
2742
+ B 1 103 THR 103 -15 ? ? ? B . n
2743
+ B 1 104 GLY 104 -14 ? ? ? B . n
2744
+ B 1 105 ARG 105 -13 ? ? ? B . n
2745
+ B 1 106 GLY 106 -12 ? ? ? B . n
2746
+ B 1 107 GLY 107 -11 ? ? ? B . n
2747
+ B 1 108 SER 108 -10 ? ? ? B . n
2748
+ B 1 109 ALA 109 -9 ? ? ? B . n
2749
+ B 1 110 PRO 110 -8 ? ? ? B . n
2750
+ B 1 111 ARG 111 -7 ? ? ? B . n
2751
+ B 1 112 PRO 112 -6 ? ? ? B . n
2752
+ B 1 113 GLU 113 -5 ? ? ? B . n
2753
+ B 1 114 LEU 114 -4 ? ? ? B . n
2754
+ B 1 115 GLY 115 -3 ? ? ? B . n
2755
+ B 1 116 PRO 116 -2 ? ? ? B . n
2756
+ B 1 117 PRO 117 -1 ? ? ? B . n
2757
+ B 1 118 THR 118 0 ? ? ? B . n
2758
+ B 1 119 ASN 119 1 ? ? ? B . n
2759
+ B 1 120 PRO 120 2 ? ? ? B . n
2760
+ B 1 121 PHE 121 3 ? ? ? B . n
2761
+ B 1 122 GLN 122 4 ? ? ? B . n
2762
+ B 1 123 ALA 123 5 ? ? ? B . n
2763
+ B 1 124 ALA 124 6 ? ? ? B . n
2764
+ B 1 125 VAL 125 7 ? ? ? B . n
2765
+ B 1 126 ALA 126 8 ? ? ? B . n
2766
+ B 1 127 ARG 127 9 ? ? ? B . n
2767
+ B 1 128 GLY 128 10 ? ? ? B . n
2768
+ B 1 129 LEU 129 11 ? ? ? B . n
2769
+ B 1 130 ARG 130 12 ? ? ? B . n
2770
+ B 1 131 PRO 131 13 ? ? ? B . n
2771
+ B 1 132 PRO 132 14 ? ? ? B . n
2772
+ B 1 133 LEU 133 15 ? ? ? B . n
2773
+ B 1 134 HIS 134 16 ? ? ? B . n
2774
+ B 1 135 ASP 135 17 ? ? ? B . n
2775
+ B 1 136 PRO 136 18 ? ? ? B . n
2776
+ B 1 137 ASP 137 19 ? ? ? B . n
2777
+ B 1 138 THR 138 20 ? ? ? B . n
2778
+ B 1 139 GLU 139 21 ? ? ? B . n
2779
+ B 1 140 ALA 140 22 ? ? ? B . n
2780
+ B 1 141 PRO 141 23 ? ? ? B . n
2781
+ B 1 142 THR 142 24 24 THR THR B . n
2782
+ B 1 143 GLU 143 25 25 GLU GLU B . n
2783
+ B 1 144 ALA 144 26 26 ALA ALA B . n
2784
+ B 1 145 CYS 145 27 27 CYS CYS B . n
2785
+ B 1 146 VAL 146 28 28 VAL VAL B . n
2786
+ B 1 147 THR 147 29 29 THR THR B . n
2787
+ B 1 148 SER 148 30 30 SER SER B . n
2788
+ B 1 149 TRP 149 31 31 TRP TRP B . n
2789
+ B 1 150 LEU 150 32 32 LEU LEU B . n
2790
+ B 1 151 TRP 151 33 33 TRP TRP B . n
2791
+ B 1 152 SER 152 34 34 SER SER B . n
2792
+ B 1 153 GLU 153 35 35 GLU GLU B . n
2793
+ B 1 154 GLY 154 36 36 GLY GLY B . n
2794
+ B 1 155 GLU 155 37 37 GLU GLU B . n
2795
+ B 1 156 GLY 156 38 38 GLY GLY B . n
2796
+ B 1 157 ALA 157 39 39 ALA ALA B . n
2797
+ B 1 158 VAL 158 40 40 VAL VAL B . n
2798
+ B 1 159 PHE 159 41 41 PHE PHE B . n
2799
+ B 1 160 TYR 160 42 42 TYR TYR B . n
2800
+ B 1 161 ARG 161 43 43 ARG ARG B . n
2801
+ B 1 162 VAL 162 44 44 VAL VAL B . n
2802
+ B 1 163 ASP 163 45 45 ASP ASP B . n
2803
+ B 1 164 LEU 164 46 46 LEU LEU B . n
2804
+ B 1 165 HIS 165 47 47 HIS HIS B . n
2805
+ B 1 166 PHE 166 48 48 PHE PHE B . n
2806
+ B 1 167 THR 167 49 49 THR THR B . n
2807
+ B 1 168 ASN 168 50 50 ASN ASN B . n
2808
+ B 1 169 LEU 169 51 51 LEU LEU B . n
2809
+ B 1 170 GLY 170 52 52 GLY GLY B . n
2810
+ B 1 171 THR 171 53 53 THR THR B . n
2811
+ B 1 172 PRO 172 54 54 PRO PRO B . n
2812
+ B 1 173 PRO 173 55 55 PRO PRO B . n
2813
+ B 1 174 LEU 174 56 56 LEU LEU B . n
2814
+ B 1 175 ASP 175 57 57 ASP ASP B . n
2815
+ B 1 176 GLU 176 58 58 GLU GLU B . n
2816
+ B 1 177 ASP 177 59 59 ASP ASP B . n
2817
+ B 1 178 GLY 178 60 60 GLY GLY B . n
2818
+ B 1 179 ARG 179 61 61 ARG ARG B . n
2819
+ B 1 180 TRP 180 62 62 TRP TRP B . n
2820
+ B 1 181 ASP 181 63 63 ASP ASP B . n
2821
+ B 1 182 PRO 182 64 64 PRO PRO B . n
2822
+ B 1 183 ALA 183 65 65 ALA ALA B . n
2823
+ B 1 184 LEU 184 66 66 LEU LEU B . n
2824
+ B 1 185 MET 185 67 67 MET MET B . n
2825
+ B 1 186 TYR 186 68 68 TYR TYR B . n
2826
+ B 1 187 ASN 187 69 69 ASN ASN B . n
2827
+ B 1 188 PRO 188 70 70 PRO PRO B . n
2828
+ B 1 189 CYS 189 71 71 CYS CYS B . n
2829
+ B 1 190 GLY 190 72 72 GLY GLY B . n
2830
+ B 1 191 PRO 191 73 73 PRO PRO B . n
2831
+ B 1 192 GLU 192 74 74 GLU GLU B . n
2832
+ B 1 193 PRO 193 75 75 PRO PRO B . n
2833
+ B 1 194 PRO 194 76 76 PRO PRO B . n
2834
+ B 1 195 ALA 195 77 77 ALA ALA B . n
2835
+ B 1 196 HIS 196 78 78 HIS HIS B . n
2836
+ B 1 197 VAL 197 79 79 VAL VAL B . n
2837
+ B 1 198 VAL 198 80 80 VAL VAL B . n
2838
+ B 1 199 ARG 199 81 81 ARG ARG B . n
2839
+ B 1 200 ALA 200 82 82 ALA ALA B . n
2840
+ B 1 201 TYR 201 83 83 TYR TYR B . n
2841
+ B 1 202 ASN 202 84 84 ASN ASN B . n
2842
+ B 1 203 GLN 203 85 85 GLN GLN B . n
2843
+ B 1 204 PRO 204 86 86 PRO PRO B . n
2844
+ B 1 205 ALA 205 87 87 ALA ALA B . n
2845
+ B 1 206 GLY 206 88 88 GLY GLY B . n
2846
+ B 1 207 ASP 207 89 89 ASP ASP B . n
2847
+ B 1 208 VAL 208 90 90 VAL VAL B . n
2848
+ B 1 209 ARG 209 91 91 ARG ARG B . n
2849
+ B 1 210 GLY 210 92 92 GLY GLY B . n
2850
+ B 1 211 VAL 211 93 93 VAL VAL B . n
2851
+ B 1 212 TRP 212 94 94 TRP TRP B . n
2852
+ B 1 213 GLY 213 95 95 GLY GLY B . n
2853
+ B 1 214 LYS 214 96 96 LYS LYS B . n
2854
+ B 1 215 GLY 215 97 97 GLY GLY B . n
2855
+ B 1 216 GLU 216 98 98 GLU GLU B . n
2856
+ B 1 217 ARG 217 99 99 ARG ARG B . n
2857
+ B 1 218 THR 218 100 100 THR THR B . n
2858
+ B 1 219 TYR 219 101 101 TYR TYR B . n
2859
+ B 1 220 ALA 220 102 102 ALA ALA B . n
2860
+ B 1 221 GLU 221 103 103 GLU GLU B . n
2861
+ B 1 222 GLN 222 104 104 GLN GLN B . n
2862
+ B 1 223 ASP 223 105 105 ASP ASP B . n
2863
+ B 1 224 PHE 224 106 106 PHE PHE B . n
2864
+ B 1 225 ARG 225 107 107 ARG ARG B . n
2865
+ B 1 226 VAL 226 108 108 VAL VAL B . n
2866
+ B 1 227 GLY 227 109 109 GLY GLY B . n
2867
+ B 1 228 GLY 228 110 110 GLY GLY B . n
2868
+ B 1 229 THR 229 111 111 THR THR B . n
2869
+ B 1 230 ARG 230 112 112 ARG ARG B . n
2870
+ B 1 231 TRP 231 113 113 TRP TRP B . n
2871
+ B 1 232 HIS 232 114 114 HIS HIS B . n
2872
+ B 1 233 ARG 233 115 115 ARG ARG B . n
2873
+ B 1 234 LEU 234 116 116 LEU LEU B . n
2874
+ B 1 235 LEU 235 117 117 LEU LEU B . n
2875
+ B 1 236 ARG 236 118 118 ARG ARG B . n
2876
+ B 1 237 MET 237 119 119 MET MET B . n
2877
+ B 1 238 PRO 238 120 120 PRO PRO B . n
2878
+ B 1 239 VAL 239 121 121 VAL VAL B . n
2879
+ B 1 240 ARG 240 122 ? ? ? B . n
2880
+ B 1 241 GLY 241 123 ? ? ? B . n
2881
+ B 1 242 LEU 242 124 ? ? ? B . n
2882
+ B 1 243 ASP 243 125 ? ? ? B . n
2883
+ B 1 244 GLY 244 126 ? ? ? B . n
2884
+ B 1 245 ASP 245 127 ? ? ? B . n
2885
+ B 1 246 SER 246 128 ? ? ? B . n
2886
+ B 1 247 ALA 247 129 ? ? ? B . n
2887
+ B 1 248 PRO 248 130 ? ? ? B . n
2888
+ B 1 249 LEU 249 131 ? ? ? B . n
2889
+ B 1 250 PRO 250 132 ? ? ? B . n
2890
+ B 1 251 PRO 251 133 ? ? ? B . n
2891
+ B 1 252 HIS 252 134 ? ? ? B . n
2892
+ B 1 253 THR 253 135 ? ? ? B . n
2893
+ B 1 254 THR 254 136 ? ? ? B . n
2894
+ B 1 255 GLU 255 137 ? ? ? B . n
2895
+ B 1 256 ARG 256 138 ? ? ? B . n
2896
+ B 1 257 ILE 257 139 ? ? ? B . n
2897
+ B 1 258 GLU 258 140 ? ? ? B . n
2898
+ B 1 259 THR 259 141 ? ? ? B . n
2899
+ B 1 260 ARG 260 142 ? ? ? B . n
2900
+ B 1 261 SER 261 143 ? ? ? B . n
2901
+ B 1 262 ALA 262 144 ? ? ? B . n
2902
+ B 1 263 ARG 263 145 ? ? ? B . n
2903
+ B 1 264 HIS 264 146 ? ? ? B . n
2904
+ B 1 265 PRO 265 147 ? ? ? B . n
2905
+ B 1 266 TRP 266 148 ? ? ? B . n
2906
+ B 1 267 ARG 267 149 ? ? ? B . n
2907
+ B 1 268 ILE 268 150 ? ? ? B . n
2908
+ B 1 269 ARG 269 151 ? ? ? B . n
2909
+ #
2910
+ loop_
2911
+ _pdbx_nonpoly_scheme.asym_id
2912
+ _pdbx_nonpoly_scheme.entity_id
2913
+ _pdbx_nonpoly_scheme.mon_id
2914
+ _pdbx_nonpoly_scheme.ndb_seq_num
2915
+ _pdbx_nonpoly_scheme.pdb_seq_num
2916
+ _pdbx_nonpoly_scheme.auth_seq_num
2917
+ _pdbx_nonpoly_scheme.pdb_mon_id
2918
+ _pdbx_nonpoly_scheme.auth_mon_id
2919
+ _pdbx_nonpoly_scheme.pdb_strand_id
2920
+ _pdbx_nonpoly_scheme.pdb_ins_code
2921
+ C 2 HOH 1 201 208 HOH HOH A .
2922
+ C 2 HOH 2 202 211 HOH HOH A .
2923
+ C 2 HOH 3 203 220 HOH HOH A .
2924
+ C 2 HOH 4 204 206 HOH HOH A .
2925
+ C 2 HOH 5 205 202 HOH HOH A .
2926
+ C 2 HOH 6 206 223 HOH HOH A .
2927
+ C 2 HOH 7 207 201 HOH HOH A .
2928
+ C 2 HOH 8 208 232 HOH HOH A .
2929
+ C 2 HOH 9 209 229 HOH HOH A .
2930
+ C 2 HOH 10 210 226 HOH HOH A .
2931
+ C 2 HOH 11 211 219 HOH HOH A .
2932
+ C 2 HOH 12 212 210 HOH HOH A .
2933
+ C 2 HOH 13 213 212 HOH HOH A .
2934
+ C 2 HOH 14 214 221 HOH HOH A .
2935
+ C 2 HOH 15 215 216 HOH HOH A .
2936
+ C 2 HOH 16 216 204 HOH HOH A .
2937
+ C 2 HOH 17 217 205 HOH HOH A .
2938
+ C 2 HOH 18 218 207 HOH HOH A .
2939
+ C 2 HOH 19 219 213 HOH HOH A .
2940
+ C 2 HOH 20 220 203 HOH HOH A .
2941
+ C 2 HOH 21 221 224 HOH HOH A .
2942
+ C 2 HOH 22 222 218 HOH HOH A .
2943
+ C 2 HOH 23 223 235 HOH HOH A .
2944
+ C 2 HOH 24 224 222 HOH HOH A .
2945
+ C 2 HOH 25 225 209 HOH HOH A .
2946
+ C 2 HOH 26 226 215 HOH HOH A .
2947
+ C 2 HOH 27 227 231 HOH HOH A .
2948
+ C 2 HOH 28 228 230 HOH HOH A .
2949
+ C 2 HOH 29 229 225 HOH HOH A .
2950
+ C 2 HOH 30 230 227 HOH HOH A .
2951
+ C 2 HOH 31 231 214 HOH HOH A .
2952
+ C 2 HOH 32 232 217 HOH HOH A .
2953
+ C 2 HOH 33 233 228 HOH HOH A .
2954
+ C 2 HOH 34 234 234 HOH HOH A .
2955
+ C 2 HOH 35 235 233 HOH HOH A .
2956
+ #
2957
+ _pdbx_struct_assembly.id 1
2958
+ _pdbx_struct_assembly.details author_defined_assembly
2959
+ _pdbx_struct_assembly.method_details ?
2960
+ _pdbx_struct_assembly.oligomeric_details dimeric
2961
+ _pdbx_struct_assembly.oligomeric_count 2
2962
+ #
2963
+ _pdbx_struct_assembly_gen.assembly_id 1
2964
+ _pdbx_struct_assembly_gen.oper_expression 1
2965
+ _pdbx_struct_assembly_gen.asym_id_list A,B,C
2966
+ #
2967
+ loop_
2968
+ _pdbx_struct_assembly_prop.biol_id
2969
+ _pdbx_struct_assembly_prop.type
2970
+ _pdbx_struct_assembly_prop.value
2971
+ _pdbx_struct_assembly_prop.details
2972
+ 1 'ABSA (A^2)' 5290 ?
2973
+ 1 MORE -41 ?
2974
+ 1 'SSA (A^2)' 10400 ?
2975
+ #
2976
+ _pdbx_struct_oper_list.id 1
2977
+ _pdbx_struct_oper_list.type 'identity operation'
2978
+ _pdbx_struct_oper_list.name 1_555
2979
+ _pdbx_struct_oper_list.symmetry_operation ?
2980
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
2981
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
2982
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
2983
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
2984
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
2985
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
2986
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
2987
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
2988
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
2989
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
2990
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
2991
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
2992
+ #
2993
+ loop_
2994
+ _pdbx_audit_revision_history.ordinal
2995
+ _pdbx_audit_revision_history.data_content_type
2996
+ _pdbx_audit_revision_history.major_revision
2997
+ _pdbx_audit_revision_history.minor_revision
2998
+ _pdbx_audit_revision_history.revision_date
2999
+ 1 'Structure model' 1 0 2017-05-10
3000
+ 2 'Structure model' 1 1 2017-06-14
3001
+ 3 'Structure model' 1 2 2017-09-13
3002
+ 4 'Structure model' 1 3 2019-12-11
3003
+ #
3004
+ _pdbx_audit_revision_details.ordinal 1
3005
+ _pdbx_audit_revision_details.revision_ordinal 1
3006
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
3007
+ _pdbx_audit_revision_details.provider repository
3008
+ _pdbx_audit_revision_details.type 'Initial release'
3009
+ _pdbx_audit_revision_details.description ?
3010
+ _pdbx_audit_revision_details.details ?
3011
+ #
3012
+ loop_
3013
+ _pdbx_audit_revision_group.ordinal
3014
+ _pdbx_audit_revision_group.revision_ordinal
3015
+ _pdbx_audit_revision_group.data_content_type
3016
+ _pdbx_audit_revision_group.group
3017
+ 1 2 'Structure model' 'Database references'
3018
+ 2 3 'Structure model' 'Author supporting evidence'
3019
+ 3 3 'Structure model' 'Data collection'
3020
+ 4 4 'Structure model' 'Author supporting evidence'
3021
+ #
3022
+ loop_
3023
+ _pdbx_audit_revision_category.ordinal
3024
+ _pdbx_audit_revision_category.revision_ordinal
3025
+ _pdbx_audit_revision_category.data_content_type
3026
+ _pdbx_audit_revision_category.category
3027
+ 1 2 'Structure model' citation
3028
+ 2 3 'Structure model' em_image_scans
3029
+ 3 3 'Structure model' pdbx_audit_support
3030
+ 4 4 'Structure model' pdbx_audit_support
3031
+ #
3032
+ loop_
3033
+ _pdbx_audit_revision_item.ordinal
3034
+ _pdbx_audit_revision_item.revision_ordinal
3035
+ _pdbx_audit_revision_item.data_content_type
3036
+ _pdbx_audit_revision_item.item
3037
+ 1 2 'Structure model' '_citation.country'
3038
+ 2 2 'Structure model' '_citation.journal_abbrev'
3039
+ 3 2 'Structure model' '_citation.journal_volume'
3040
+ 4 2 'Structure model' '_citation.page_first'
3041
+ 5 2 'Structure model' '_citation.page_last'
3042
+ 6 2 'Structure model' '_citation.pdbx_database_id_DOI'
3043
+ 7 2 'Structure model' '_citation.pdbx_database_id_PubMed'
3044
+ 8 2 'Structure model' '_citation.title'
3045
+ 9 3 'Structure model' '_pdbx_audit_support.funding_organization'
3046
+ 10 4 'Structure model' '_pdbx_audit_support.funding_organization'
3047
+ #
3048
+ _em_3d_fitting.entry_id 5KHE
3049
+ _em_3d_fitting.id 1
3050
+ _em_3d_fitting.details ?
3051
+ _em_3d_fitting.overall_b_value ?
3052
+ _em_3d_fitting.ref_protocol 'RIGID BODY FIT'
3053
+ _em_3d_fitting.ref_space REAL
3054
+ _em_3d_fitting.target_criteria sumf
3055
+ _em_3d_fitting.method ?
3056
+ #
3057
+ _em_3d_reconstruction.entry_id 5KHE
3058
+ _em_3d_reconstruction.id 1
3059
+ _em_3d_reconstruction.algorithm ?
3060
+ _em_3d_reconstruction.details ?
3061
+ _em_3d_reconstruction.image_processing_id 1
3062
+ _em_3d_reconstruction.num_class_averages ?
3063
+ _em_3d_reconstruction.num_particles 18
3064
+ _em_3d_reconstruction.resolution 35
3065
+ _em_3d_reconstruction.resolution_method OTHER
3066
+ _em_3d_reconstruction.symmetry_type POINT
3067
+ _em_3d_reconstruction.method ?
3068
+ _em_3d_reconstruction.nominal_pixel_size ?
3069
+ _em_3d_reconstruction.actual_pixel_size ?
3070
+ _em_3d_reconstruction.magnification_calibration ?
3071
+ _em_3d_reconstruction.citation_id ?
3072
+ _em_3d_reconstruction.euler_angles_details ?
3073
+ #
3074
+ _em_buffer.id 1
3075
+ _em_buffer.details ?
3076
+ _em_buffer.pH 7.2
3077
+ _em_buffer.specimen_id 1
3078
+ _em_buffer.name ?
3079
+ #
3080
+ _em_entity_assembly.id 1
3081
+ _em_entity_assembly.parent_id 0
3082
+ _em_entity_assembly.details ?
3083
+ _em_entity_assembly.name 'Rubella virus strain M33'
3084
+ _em_entity_assembly.source RECOMBINANT
3085
+ _em_entity_assembly.type COMPLEX
3086
+ _em_entity_assembly.entity_id_list 1
3087
+ _em_entity_assembly.synonym ?
3088
+ _em_entity_assembly.oligomeric_details ?
3089
+ #
3090
+ _em_imaging.id 1
3091
+ _em_imaging.entry_id 5KHE
3092
+ _em_imaging.accelerating_voltage 300
3093
+ _em_imaging.alignment_procedure ?
3094
+ _em_imaging.c2_aperture_diameter ?
3095
+ _em_imaging.calibrated_defocus_max ?
3096
+ _em_imaging.calibrated_defocus_min ?
3097
+ _em_imaging.calibrated_magnification ?
3098
+ _em_imaging.cryogen ?
3099
+ _em_imaging.details ?
3100
+ _em_imaging.electron_source 'FIELD EMISSION GUN'
3101
+ _em_imaging.illumination_mode 'SPOT SCAN'
3102
+ _em_imaging.microscope_model 'FEI TITAN KRIOS'
3103
+ _em_imaging.mode 'BRIGHT FIELD'
3104
+ _em_imaging.nominal_cs ?
3105
+ _em_imaging.nominal_defocus_max ?
3106
+ _em_imaging.nominal_defocus_min 500
3107
+ _em_imaging.nominal_magnification 11000
3108
+ _em_imaging.recording_temperature_maximum ?
3109
+ _em_imaging.recording_temperature_minimum ?
3110
+ _em_imaging.residual_tilt ?
3111
+ _em_imaging.specimen_holder_model ?
3112
+ _em_imaging.specimen_id 1
3113
+ _em_imaging.date ?
3114
+ _em_imaging.temperature ?
3115
+ _em_imaging.tilt_angle_min ?
3116
+ _em_imaging.tilt_angle_max ?
3117
+ _em_imaging.specimen_holder_type ?
3118
+ _em_imaging.astigmatism ?
3119
+ _em_imaging.electron_beam_tilt_params ?
3120
+ _em_imaging.citation_id ?
3121
+ _em_imaging.detector_distance ?
3122
+ #
3123
+ _em_sample_support.id 1
3124
+ _em_sample_support.specimen_id 1
3125
+ _em_sample_support.details ?
3126
+ _em_sample_support.grid_material COPPER
3127
+ _em_sample_support.grid_mesh_size 200
3128
+ _em_sample_support.grid_type 'Quantifoil R1.2/1.3'
3129
+ _em_sample_support.method ?
3130
+ _em_sample_support.film_material ?
3131
+ _em_sample_support.citation_id ?
3132
+ #
3133
+ _em_vitrification.id 1
3134
+ _em_vitrification.specimen_id 1
3135
+ _em_vitrification.chamber_temperature ?
3136
+ _em_vitrification.cryogen_name ETHANE
3137
+ _em_vitrification.details ?
3138
+ _em_vitrification.humidity ?
3139
+ _em_vitrification.instrument 'GATAN CRYOPLUNGE 3'
3140
+ _em_vitrification.entry_id 5KHE
3141
+ _em_vitrification.temp ?
3142
+ _em_vitrification.method ?
3143
+ _em_vitrification.time_resolved_state ?
3144
+ _em_vitrification.citation_id ?
3145
+ #
3146
+ _em_experiment.entry_id 5KHE
3147
+ _em_experiment.id 1
3148
+ _em_experiment.aggregation_state PARTICLE
3149
+ _em_experiment.reconstruction_method 'SUBTOMOGRAM AVERAGING'
3150
+ _em_experiment.entity_assembly_id 1
3151
+ #
3152
+ _em_single_particle_entity.entry_id 5KHE
3153
+ _em_single_particle_entity.id 1
3154
+ _em_single_particle_entity.image_processing_id 1
3155
+ _em_single_particle_entity.point_symmetry C1
3156
+ #
3157
+ loop_
3158
+ _pdbx_validate_close_contact.id
3159
+ _pdbx_validate_close_contact.PDB_model_num
3160
+ _pdbx_validate_close_contact.auth_atom_id_1
3161
+ _pdbx_validate_close_contact.auth_asym_id_1
3162
+ _pdbx_validate_close_contact.auth_comp_id_1
3163
+ _pdbx_validate_close_contact.auth_seq_id_1
3164
+ _pdbx_validate_close_contact.PDB_ins_code_1
3165
+ _pdbx_validate_close_contact.label_alt_id_1
3166
+ _pdbx_validate_close_contact.auth_atom_id_2
3167
+ _pdbx_validate_close_contact.auth_asym_id_2
3168
+ _pdbx_validate_close_contact.auth_comp_id_2
3169
+ _pdbx_validate_close_contact.auth_seq_id_2
3170
+ _pdbx_validate_close_contact.PDB_ins_code_2
3171
+ _pdbx_validate_close_contact.label_alt_id_2
3172
+ _pdbx_validate_close_contact.dist
3173
+ 1 1 NH1 A ARG 99 ? ? OE2 B GLU 74 ? ? 2.12
3174
+ 2 1 OD1 A ASP 63 ? ? O A HOH 201 ? ? 2.17
3175
+ #
3176
+ loop_
3177
+ _pdbx_validate_torsion.id
3178
+ _pdbx_validate_torsion.PDB_model_num
3179
+ _pdbx_validate_torsion.auth_comp_id
3180
+ _pdbx_validate_torsion.auth_asym_id
3181
+ _pdbx_validate_torsion.auth_seq_id
3182
+ _pdbx_validate_torsion.PDB_ins_code
3183
+ _pdbx_validate_torsion.label_alt_id
3184
+ _pdbx_validate_torsion.phi
3185
+ _pdbx_validate_torsion.psi
3186
+ 1 1 ASP A 59 ? ? 70.30 -49.70
3187
+ 2 1 ALA A 87 ? ? -148.43 -16.31
3188
+ 3 1 ASP A 89 ? ? -64.54 93.72
3189
+ 4 1 ARG A 99 ? ? -109.96 75.69
3190
+ 5 1 PRO A 120 ? ? -64.23 -170.21
3191
+ 6 1 GLU B 25 ? ? -128.98 -75.34
3192
+ #
3193
+ _pdbx_distant_solvent_atoms.id 1
3194
+ _pdbx_distant_solvent_atoms.PDB_model_num 1
3195
+ _pdbx_distant_solvent_atoms.auth_atom_id O
3196
+ _pdbx_distant_solvent_atoms.label_alt_id ?
3197
+ _pdbx_distant_solvent_atoms.auth_asym_id A
3198
+ _pdbx_distant_solvent_atoms.auth_comp_id HOH
3199
+ _pdbx_distant_solvent_atoms.auth_seq_id 235
3200
+ _pdbx_distant_solvent_atoms.PDB_ins_code ?
3201
+ _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 5.86
3202
+ _pdbx_distant_solvent_atoms.neighbor_ligand_distance .
3203
+ #
3204
+ loop_
3205
+ _pdbx_unobs_or_zero_occ_atoms.id
3206
+ _pdbx_unobs_or_zero_occ_atoms.PDB_model_num
3207
+ _pdbx_unobs_or_zero_occ_atoms.polymer_flag
3208
+ _pdbx_unobs_or_zero_occ_atoms.occupancy_flag
3209
+ _pdbx_unobs_or_zero_occ_atoms.auth_asym_id
3210
+ _pdbx_unobs_or_zero_occ_atoms.auth_comp_id
3211
+ _pdbx_unobs_or_zero_occ_atoms.auth_seq_id
3212
+ _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
3213
+ _pdbx_unobs_or_zero_occ_atoms.auth_atom_id
3214
+ _pdbx_unobs_or_zero_occ_atoms.label_alt_id
3215
+ _pdbx_unobs_or_zero_occ_atoms.label_asym_id
3216
+ _pdbx_unobs_or_zero_occ_atoms.label_comp_id
3217
+ _pdbx_unobs_or_zero_occ_atoms.label_seq_id
3218
+ _pdbx_unobs_or_zero_occ_atoms.label_atom_id
3219
+ 1 1 Y 1 A GLU 25 ? CG ? A GLU 143 CG
3220
+ 2 1 Y 1 A GLU 25 ? CD ? A GLU 143 CD
3221
+ 3 1 Y 1 A GLU 25 ? OE1 ? A GLU 143 OE1
3222
+ 4 1 Y 1 A GLU 25 ? OE2 ? A GLU 143 OE2
3223
+ 5 1 Y 1 B THR 24 ? OG1 ? B THR 142 OG1
3224
+ 6 1 Y 1 B THR 24 ? CG2 ? B THR 142 CG2
3225
+ #
3226
+ loop_
3227
+ _pdbx_unobs_or_zero_occ_residues.id
3228
+ _pdbx_unobs_or_zero_occ_residues.PDB_model_num
3229
+ _pdbx_unobs_or_zero_occ_residues.polymer_flag
3230
+ _pdbx_unobs_or_zero_occ_residues.occupancy_flag
3231
+ _pdbx_unobs_or_zero_occ_residues.auth_asym_id
3232
+ _pdbx_unobs_or_zero_occ_residues.auth_comp_id
3233
+ _pdbx_unobs_or_zero_occ_residues.auth_seq_id
3234
+ _pdbx_unobs_or_zero_occ_residues.PDB_ins_code
3235
+ _pdbx_unobs_or_zero_occ_residues.label_asym_id
3236
+ _pdbx_unobs_or_zero_occ_residues.label_comp_id
3237
+ _pdbx_unobs_or_zero_occ_residues.label_seq_id
3238
+ 1 1 Y 1 A MET -117 ? A MET 1
3239
+ 2 1 Y 1 A GLU -116 ? A GLU 2
3240
+ 3 1 Y 1 A ASP -115 ? A ASP 3
3241
+ 4 1 Y 1 A LEU -114 ? A LEU 4
3242
+ 5 1 Y 1 A GLN -113 ? A GLN 5
3243
+ 6 1 Y 1 A LYS -112 ? A LYS 6
3244
+ 7 1 Y 1 A ALA -111 ? A ALA 7
3245
+ 8 1 Y 1 A LEU -110 ? A LEU 8
3246
+ 9 1 Y 1 A GLU -109 ? A GLU 9
3247
+ 10 1 Y 1 A ALA -108 ? A ALA 10
3248
+ 11 1 Y 1 A GLN -107 ? A GLN 11
3249
+ 12 1 Y 1 A SER -106 ? A SER 12
3250
+ 13 1 Y 1 A ARG -105 ? A ARG 13
3251
+ 14 1 Y 1 A ALA -104 ? A ALA 14
3252
+ 15 1 Y 1 A LEU -103 ? A LEU 15
3253
+ 16 1 Y 1 A ARG -102 ? A ARG 16
3254
+ 17 1 Y 1 A ALA -101 ? A ALA 17
3255
+ 18 1 Y 1 A GLU -100 ? A GLU 18
3256
+ 19 1 Y 1 A LEU -99 ? A LEU 19
3257
+ 20 1 Y 1 A ALA -98 ? A ALA 20
3258
+ 21 1 Y 1 A ALA -97 ? A ALA 21
3259
+ 22 1 Y 1 A GLY -96 ? A GLY 22
3260
+ 23 1 Y 1 A ALA -95 ? A ALA 23
3261
+ 24 1 Y 1 A SER -94 ? A SER 24
3262
+ 25 1 Y 1 A GLN -93 ? A GLN 25
3263
+ 26 1 Y 1 A SER -92 ? A SER 26
3264
+ 27 1 Y 1 A ARG -91 ? A ARG 27
3265
+ 28 1 Y 1 A ARG -90 ? A ARG 28
3266
+ 29 1 Y 1 A PRO -89 ? A PRO 29
3267
+ 30 1 Y 1 A ARG -88 ? A ARG 30
3268
+ 31 1 Y 1 A PRO -87 ? A PRO 31
3269
+ 32 1 Y 1 A PRO -86 ? A PRO 32
3270
+ 33 1 Y 1 A ARG -85 ? A ARG 33
3271
+ 34 1 Y 1 A GLN -84 ? A GLN 34
3272
+ 35 1 Y 1 A ARG -83 ? A ARG 35
3273
+ 36 1 Y 1 A ASP -82 ? A ASP 36
3274
+ 37 1 Y 1 A SER -81 ? A SER 37
3275
+ 38 1 Y 1 A SER -80 ? A SER 38
3276
+ 39 1 Y 1 A THR -79 ? A THR 39
3277
+ 40 1 Y 1 A SER -78 ? A SER 40
3278
+ 41 1 Y 1 A GLY -77 ? A GLY 41
3279
+ 42 1 Y 1 A ASP -76 ? A ASP 42
3280
+ 43 1 Y 1 A ASP -75 ? A ASP 43
3281
+ 44 1 Y 1 A SER -74 ? A SER 44
3282
+ 45 1 Y 1 A GLY -73 ? A GLY 45
3283
+ 46 1 Y 1 A ARG -72 ? A ARG 46
3284
+ 47 1 Y 1 A ASP -71 ? A ASP 47
3285
+ 48 1 Y 1 A SER -70 ? A SER 48
3286
+ 49 1 Y 1 A GLY -69 ? A GLY 49
3287
+ 50 1 Y 1 A GLY -68 ? A GLY 50
3288
+ 51 1 Y 1 A PRO -67 ? A PRO 51
3289
+ 52 1 Y 1 A ARG -66 ? A ARG 52
3290
+ 53 1 Y 1 A ARG -65 ? A ARG 53
3291
+ 54 1 Y 1 A ARG -64 ? A ARG 54
3292
+ 55 1 Y 1 A ARG -63 ? A ARG 55
3293
+ 56 1 Y 1 A GLY -62 ? A GLY 56
3294
+ 57 1 Y 1 A ASN -61 ? A ASN 57
3295
+ 58 1 Y 1 A ARG -60 ? A ARG 58
3296
+ 59 1 Y 1 A GLY -59 ? A GLY 59
3297
+ 60 1 Y 1 A ARG -58 ? A ARG 60
3298
+ 61 1 Y 1 A GLY -57 ? A GLY 61
3299
+ 62 1 Y 1 A GLN -56 ? A GLN 62
3300
+ 63 1 Y 1 A ARG -55 ? A ARG 63
3301
+ 64 1 Y 1 A ARG -54 ? A ARG 64
3302
+ 65 1 Y 1 A ASP -53 ? A ASP 65
3303
+ 66 1 Y 1 A TRP -52 ? A TRP 66
3304
+ 67 1 Y 1 A SER -51 ? A SER 67
3305
+ 68 1 Y 1 A ARG -50 ? A ARG 68
3306
+ 69 1 Y 1 A ALA -49 ? A ALA 69
3307
+ 70 1 Y 1 A PRO -48 ? A PRO 70
3308
+ 71 1 Y 1 A PRO -47 ? A PRO 71
3309
+ 72 1 Y 1 A PRO -46 ? A PRO 72
3310
+ 73 1 Y 1 A PRO -45 ? A PRO 73
3311
+ 74 1 Y 1 A GLU -44 ? A GLU 74
3312
+ 75 1 Y 1 A GLU -43 ? A GLU 75
3313
+ 76 1 Y 1 A ARG -42 ? A ARG 76
3314
+ 77 1 Y 1 A GLN -41 ? A GLN 77
3315
+ 78 1 Y 1 A GLU -40 ? A GLU 78
3316
+ 79 1 Y 1 A THR -39 ? A THR 79
3317
+ 80 1 Y 1 A ARG -38 ? A ARG 80
3318
+ 81 1 Y 1 A SER -37 ? A SER 81
3319
+ 82 1 Y 1 A GLN -36 ? A GLN 82
3320
+ 83 1 Y 1 A THR -35 ? A THR 83
3321
+ 84 1 Y 1 A PRO -34 ? A PRO 84
3322
+ 85 1 Y 1 A ALA -33 ? A ALA 85
3323
+ 86 1 Y 1 A PRO -32 ? A PRO 86
3324
+ 87 1 Y 1 A LYS -31 ? A LYS 87
3325
+ 88 1 Y 1 A PRO -30 ? A PRO 88
3326
+ 89 1 Y 1 A SER -29 ? A SER 89
3327
+ 90 1 Y 1 A ARG -28 ? A ARG 90
3328
+ 91 1 Y 1 A ALA -27 ? A ALA 91
3329
+ 92 1 Y 1 A PRO -26 ? A PRO 92
3330
+ 93 1 Y 1 A PRO -25 ? A PRO 93
3331
+ 94 1 Y 1 A GLN -24 ? A GLN 94
3332
+ 95 1 Y 1 A GLN -23 ? A GLN 95
3333
+ 96 1 Y 1 A PRO -22 ? A PRO 96
3334
+ 97 1 Y 1 A GLN -21 ? A GLN 97
3335
+ 98 1 Y 1 A PRO -20 ? A PRO 98
3336
+ 99 1 Y 1 A PRO -19 ? A PRO 99
3337
+ 100 1 Y 1 A ARG -18 ? A ARG 100
3338
+ 101 1 Y 1 A MET -17 ? A MET 101
3339
+ 102 1 Y 1 A GLN -16 ? A GLN 102
3340
+ 103 1 Y 1 A THR -15 ? A THR 103
3341
+ 104 1 Y 1 A GLY -14 ? A GLY 104
3342
+ 105 1 Y 1 A ARG -13 ? A ARG 105
3343
+ 106 1 Y 1 A GLY -12 ? A GLY 106
3344
+ 107 1 Y 1 A GLY -11 ? A GLY 107
3345
+ 108 1 Y 1 A SER -10 ? A SER 108
3346
+ 109 1 Y 1 A ALA -9 ? A ALA 109
3347
+ 110 1 Y 1 A PRO -8 ? A PRO 110
3348
+ 111 1 Y 1 A ARG -7 ? A ARG 111
3349
+ 112 1 Y 1 A PRO -6 ? A PRO 112
3350
+ 113 1 Y 1 A GLU -5 ? A GLU 113
3351
+ 114 1 Y 1 A LEU -4 ? A LEU 114
3352
+ 115 1 Y 1 A GLY -3 ? A GLY 115
3353
+ 116 1 Y 1 A PRO -2 ? A PRO 116
3354
+ 117 1 Y 1 A PRO -1 ? A PRO 117
3355
+ 118 1 Y 1 A THR 0 ? A THR 118
3356
+ 119 1 Y 1 A ASN 1 ? A ASN 119
3357
+ 120 1 Y 1 A PRO 2 ? A PRO 120
3358
+ 121 1 Y 1 A PHE 3 ? A PHE 121
3359
+ 122 1 Y 1 A GLN 4 ? A GLN 122
3360
+ 123 1 Y 1 A ALA 5 ? A ALA 123
3361
+ 124 1 Y 1 A ALA 6 ? A ALA 124
3362
+ 125 1 Y 1 A VAL 7 ? A VAL 125
3363
+ 126 1 Y 1 A ALA 8 ? A ALA 126
3364
+ 127 1 Y 1 A ARG 9 ? A ARG 127
3365
+ 128 1 Y 1 A GLY 10 ? A GLY 128
3366
+ 129 1 Y 1 A LEU 11 ? A LEU 129
3367
+ 130 1 Y 1 A ARG 12 ? A ARG 130
3368
+ 131 1 Y 1 A PRO 13 ? A PRO 131
3369
+ 132 1 Y 1 A PRO 14 ? A PRO 132
3370
+ 133 1 Y 1 A LEU 15 ? A LEU 133
3371
+ 134 1 Y 1 A HIS 16 ? A HIS 134
3372
+ 135 1 Y 1 A ASP 17 ? A ASP 135
3373
+ 136 1 Y 1 A PRO 18 ? A PRO 136
3374
+ 137 1 Y 1 A ASP 19 ? A ASP 137
3375
+ 138 1 Y 1 A THR 20 ? A THR 138
3376
+ 139 1 Y 1 A GLU 21 ? A GLU 139
3377
+ 140 1 Y 1 A ALA 22 ? A ALA 140
3378
+ 141 1 Y 1 A PRO 23 ? A PRO 141
3379
+ 142 1 Y 1 A ARG 122 ? A ARG 240
3380
+ 143 1 Y 1 A GLY 123 ? A GLY 241
3381
+ 144 1 Y 1 A LEU 124 ? A LEU 242
3382
+ 145 1 Y 1 A ASP 125 ? A ASP 243
3383
+ 146 1 Y 1 A GLY 126 ? A GLY 244
3384
+ 147 1 Y 1 A ASP 127 ? A ASP 245
3385
+ 148 1 Y 1 A SER 128 ? A SER 246
3386
+ 149 1 Y 1 A ALA 129 ? A ALA 247
3387
+ 150 1 Y 1 A PRO 130 ? A PRO 248
3388
+ 151 1 Y 1 A LEU 131 ? A LEU 249
3389
+ 152 1 Y 1 A PRO 132 ? A PRO 250
3390
+ 153 1 Y 1 A PRO 133 ? A PRO 251
3391
+ 154 1 Y 1 A HIS 134 ? A HIS 252
3392
+ 155 1 Y 1 A THR 135 ? A THR 253
3393
+ 156 1 Y 1 A THR 136 ? A THR 254
3394
+ 157 1 Y 1 A GLU 137 ? A GLU 255
3395
+ 158 1 Y 1 A ARG 138 ? A ARG 256
3396
+ 159 1 Y 1 A ILE 139 ? A ILE 257
3397
+ 160 1 Y 1 A GLU 140 ? A GLU 258
3398
+ 161 1 Y 1 A THR 141 ? A THR 259
3399
+ 162 1 Y 1 A ARG 142 ? A ARG 260
3400
+ 163 1 Y 1 A SER 143 ? A SER 261
3401
+ 164 1 Y 1 A ALA 144 ? A ALA 262
3402
+ 165 1 Y 1 A ARG 145 ? A ARG 263
3403
+ 166 1 Y 1 A HIS 146 ? A HIS 264
3404
+ 167 1 Y 1 A PRO 147 ? A PRO 265
3405
+ 168 1 Y 1 A TRP 148 ? A TRP 266
3406
+ 169 1 Y 1 A ARG 149 ? A ARG 267
3407
+ 170 1 Y 1 A ILE 150 ? A ILE 268
3408
+ 171 1 Y 1 A ARG 151 ? A ARG 269
3409
+ 172 1 Y 1 B MET -117 ? B MET 1
3410
+ 173 1 Y 1 B GLU -116 ? B GLU 2
3411
+ 174 1 Y 1 B ASP -115 ? B ASP 3
3412
+ 175 1 Y 1 B LEU -114 ? B LEU 4
3413
+ 176 1 Y 1 B GLN -113 ? B GLN 5
3414
+ 177 1 Y 1 B LYS -112 ? B LYS 6
3415
+ 178 1 Y 1 B ALA -111 ? B ALA 7
3416
+ 179 1 Y 1 B LEU -110 ? B LEU 8
3417
+ 180 1 Y 1 B GLU -109 ? B GLU 9
3418
+ 181 1 Y 1 B ALA -108 ? B ALA 10
3419
+ 182 1 Y 1 B GLN -107 ? B GLN 11
3420
+ 183 1 Y 1 B SER -106 ? B SER 12
3421
+ 184 1 Y 1 B ARG -105 ? B ARG 13
3422
+ 185 1 Y 1 B ALA -104 ? B ALA 14
3423
+ 186 1 Y 1 B LEU -103 ? B LEU 15
3424
+ 187 1 Y 1 B ARG -102 ? B ARG 16
3425
+ 188 1 Y 1 B ALA -101 ? B ALA 17
3426
+ 189 1 Y 1 B GLU -100 ? B GLU 18
3427
+ 190 1 Y 1 B LEU -99 ? B LEU 19
3428
+ 191 1 Y 1 B ALA -98 ? B ALA 20
3429
+ 192 1 Y 1 B ALA -97 ? B ALA 21
3430
+ 193 1 Y 1 B GLY -96 ? B GLY 22
3431
+ 194 1 Y 1 B ALA -95 ? B ALA 23
3432
+ 195 1 Y 1 B SER -94 ? B SER 24
3433
+ 196 1 Y 1 B GLN -93 ? B GLN 25
3434
+ 197 1 Y 1 B SER -92 ? B SER 26
3435
+ 198 1 Y 1 B ARG -91 ? B ARG 27
3436
+ 199 1 Y 1 B ARG -90 ? B ARG 28
3437
+ 200 1 Y 1 B PRO -89 ? B PRO 29
3438
+ 201 1 Y 1 B ARG -88 ? B ARG 30
3439
+ 202 1 Y 1 B PRO -87 ? B PRO 31
3440
+ 203 1 Y 1 B PRO -86 ? B PRO 32
3441
+ 204 1 Y 1 B ARG -85 ? B ARG 33
3442
+ 205 1 Y 1 B GLN -84 ? B GLN 34
3443
+ 206 1 Y 1 B ARG -83 ? B ARG 35
3444
+ 207 1 Y 1 B ASP -82 ? B ASP 36
3445
+ 208 1 Y 1 B SER -81 ? B SER 37
3446
+ 209 1 Y 1 B SER -80 ? B SER 38
3447
+ 210 1 Y 1 B THR -79 ? B THR 39
3448
+ 211 1 Y 1 B SER -78 ? B SER 40
3449
+ 212 1 Y 1 B GLY -77 ? B GLY 41
3450
+ 213 1 Y 1 B ASP -76 ? B ASP 42
3451
+ 214 1 Y 1 B ASP -75 ? B ASP 43
3452
+ 215 1 Y 1 B SER -74 ? B SER 44
3453
+ 216 1 Y 1 B GLY -73 ? B GLY 45
3454
+ 217 1 Y 1 B ARG -72 ? B ARG 46
3455
+ 218 1 Y 1 B ASP -71 ? B ASP 47
3456
+ 219 1 Y 1 B SER -70 ? B SER 48
3457
+ 220 1 Y 1 B GLY -69 ? B GLY 49
3458
+ 221 1 Y 1 B GLY -68 ? B GLY 50
3459
+ 222 1 Y 1 B PRO -67 ? B PRO 51
3460
+ 223 1 Y 1 B ARG -66 ? B ARG 52
3461
+ 224 1 Y 1 B ARG -65 ? B ARG 53
3462
+ 225 1 Y 1 B ARG -64 ? B ARG 54
3463
+ 226 1 Y 1 B ARG -63 ? B ARG 55
3464
+ 227 1 Y 1 B GLY -62 ? B GLY 56
3465
+ 228 1 Y 1 B ASN -61 ? B ASN 57
3466
+ 229 1 Y 1 B ARG -60 ? B ARG 58
3467
+ 230 1 Y 1 B GLY -59 ? B GLY 59
3468
+ 231 1 Y 1 B ARG -58 ? B ARG 60
3469
+ 232 1 Y 1 B GLY -57 ? B GLY 61
3470
+ 233 1 Y 1 B GLN -56 ? B GLN 62
3471
+ 234 1 Y 1 B ARG -55 ? B ARG 63
3472
+ 235 1 Y 1 B ARG -54 ? B ARG 64
3473
+ 236 1 Y 1 B ASP -53 ? B ASP 65
3474
+ 237 1 Y 1 B TRP -52 ? B TRP 66
3475
+ 238 1 Y 1 B SER -51 ? B SER 67
3476
+ 239 1 Y 1 B ARG -50 ? B ARG 68
3477
+ 240 1 Y 1 B ALA -49 ? B ALA 69
3478
+ 241 1 Y 1 B PRO -48 ? B PRO 70
3479
+ 242 1 Y 1 B PRO -47 ? B PRO 71
3480
+ 243 1 Y 1 B PRO -46 ? B PRO 72
3481
+ 244 1 Y 1 B PRO -45 ? B PRO 73
3482
+ 245 1 Y 1 B GLU -44 ? B GLU 74
3483
+ 246 1 Y 1 B GLU -43 ? B GLU 75
3484
+ 247 1 Y 1 B ARG -42 ? B ARG 76
3485
+ 248 1 Y 1 B GLN -41 ? B GLN 77
3486
+ 249 1 Y 1 B GLU -40 ? B GLU 78
3487
+ 250 1 Y 1 B THR -39 ? B THR 79
3488
+ 251 1 Y 1 B ARG -38 ? B ARG 80
3489
+ 252 1 Y 1 B SER -37 ? B SER 81
3490
+ 253 1 Y 1 B GLN -36 ? B GLN 82
3491
+ 254 1 Y 1 B THR -35 ? B THR 83
3492
+ 255 1 Y 1 B PRO -34 ? B PRO 84
3493
+ 256 1 Y 1 B ALA -33 ? B ALA 85
3494
+ 257 1 Y 1 B PRO -32 ? B PRO 86
3495
+ 258 1 Y 1 B LYS -31 ? B LYS 87
3496
+ 259 1 Y 1 B PRO -30 ? B PRO 88
3497
+ 260 1 Y 1 B SER -29 ? B SER 89
3498
+ 261 1 Y 1 B ARG -28 ? B ARG 90
3499
+ 262 1 Y 1 B ALA -27 ? B ALA 91
3500
+ 263 1 Y 1 B PRO -26 ? B PRO 92
3501
+ 264 1 Y 1 B PRO -25 ? B PRO 93
3502
+ 265 1 Y 1 B GLN -24 ? B GLN 94
3503
+ 266 1 Y 1 B GLN -23 ? B GLN 95
3504
+ 267 1 Y 1 B PRO -22 ? B PRO 96
3505
+ 268 1 Y 1 B GLN -21 ? B GLN 97
3506
+ 269 1 Y 1 B PRO -20 ? B PRO 98
3507
+ 270 1 Y 1 B PRO -19 ? B PRO 99
3508
+ 271 1 Y 1 B ARG -18 ? B ARG 100
3509
+ 272 1 Y 1 B MET -17 ? B MET 101
3510
+ 273 1 Y 1 B GLN -16 ? B GLN 102
3511
+ 274 1 Y 1 B THR -15 ? B THR 103
3512
+ 275 1 Y 1 B GLY -14 ? B GLY 104
3513
+ 276 1 Y 1 B ARG -13 ? B ARG 105
3514
+ 277 1 Y 1 B GLY -12 ? B GLY 106
3515
+ 278 1 Y 1 B GLY -11 ? B GLY 107
3516
+ 279 1 Y 1 B SER -10 ? B SER 108
3517
+ 280 1 Y 1 B ALA -9 ? B ALA 109
3518
+ 281 1 Y 1 B PRO -8 ? B PRO 110
3519
+ 282 1 Y 1 B ARG -7 ? B ARG 111
3520
+ 283 1 Y 1 B PRO -6 ? B PRO 112
3521
+ 284 1 Y 1 B GLU -5 ? B GLU 113
3522
+ 285 1 Y 1 B LEU -4 ? B LEU 114
3523
+ 286 1 Y 1 B GLY -3 ? B GLY 115
3524
+ 287 1 Y 1 B PRO -2 ? B PRO 116
3525
+ 288 1 Y 1 B PRO -1 ? B PRO 117
3526
+ 289 1 Y 1 B THR 0 ? B THR 118
3527
+ 290 1 Y 1 B ASN 1 ? B ASN 119
3528
+ 291 1 Y 1 B PRO 2 ? B PRO 120
3529
+ 292 1 Y 1 B PHE 3 ? B PHE 121
3530
+ 293 1 Y 1 B GLN 4 ? B GLN 122
3531
+ 294 1 Y 1 B ALA 5 ? B ALA 123
3532
+ 295 1 Y 1 B ALA 6 ? B ALA 124
3533
+ 296 1 Y 1 B VAL 7 ? B VAL 125
3534
+ 297 1 Y 1 B ALA 8 ? B ALA 126
3535
+ 298 1 Y 1 B ARG 9 ? B ARG 127
3536
+ 299 1 Y 1 B GLY 10 ? B GLY 128
3537
+ 300 1 Y 1 B LEU 11 ? B LEU 129
3538
+ 301 1 Y 1 B ARG 12 ? B ARG 130
3539
+ 302 1 Y 1 B PRO 13 ? B PRO 131
3540
+ 303 1 Y 1 B PRO 14 ? B PRO 132
3541
+ 304 1 Y 1 B LEU 15 ? B LEU 133
3542
+ 305 1 Y 1 B HIS 16 ? B HIS 134
3543
+ 306 1 Y 1 B ASP 17 ? B ASP 135
3544
+ 307 1 Y 1 B PRO 18 ? B PRO 136
3545
+ 308 1 Y 1 B ASP 19 ? B ASP 137
3546
+ 309 1 Y 1 B THR 20 ? B THR 138
3547
+ 310 1 Y 1 B GLU 21 ? B GLU 139
3548
+ 311 1 Y 1 B ALA 22 ? B ALA 140
3549
+ 312 1 Y 1 B PRO 23 ? B PRO 141
3550
+ 313 1 Y 1 B ARG 122 ? B ARG 240
3551
+ 314 1 Y 1 B GLY 123 ? B GLY 241
3552
+ 315 1 Y 1 B LEU 124 ? B LEU 242
3553
+ 316 1 Y 1 B ASP 125 ? B ASP 243
3554
+ 317 1 Y 1 B GLY 126 ? B GLY 244
3555
+ 318 1 Y 1 B ASP 127 ? B ASP 245
3556
+ 319 1 Y 1 B SER 128 ? B SER 246
3557
+ 320 1 Y 1 B ALA 129 ? B ALA 247
3558
+ 321 1 Y 1 B PRO 130 ? B PRO 248
3559
+ 322 1 Y 1 B LEU 131 ? B LEU 249
3560
+ 323 1 Y 1 B PRO 132 ? B PRO 250
3561
+ 324 1 Y 1 B PRO 133 ? B PRO 251
3562
+ 325 1 Y 1 B HIS 134 ? B HIS 252
3563
+ 326 1 Y 1 B THR 135 ? B THR 253
3564
+ 327 1 Y 1 B THR 136 ? B THR 254
3565
+ 328 1 Y 1 B GLU 137 ? B GLU 255
3566
+ 329 1 Y 1 B ARG 138 ? B ARG 256
3567
+ 330 1 Y 1 B ILE 139 ? B ILE 257
3568
+ 331 1 Y 1 B GLU 140 ? B GLU 258
3569
+ 332 1 Y 1 B THR 141 ? B THR 259
3570
+ 333 1 Y 1 B ARG 142 ? B ARG 260
3571
+ 334 1 Y 1 B SER 143 ? B SER 261
3572
+ 335 1 Y 1 B ALA 144 ? B ALA 262
3573
+ 336 1 Y 1 B ARG 145 ? B ARG 263
3574
+ 337 1 Y 1 B HIS 146 ? B HIS 264
3575
+ 338 1 Y 1 B PRO 147 ? B PRO 265
3576
+ 339 1 Y 1 B TRP 148 ? B TRP 266
3577
+ 340 1 Y 1 B ARG 149 ? B ARG 267
3578
+ 341 1 Y 1 B ILE 150 ? B ILE 268
3579
+ 342 1 Y 1 B ARG 151 ? B ARG 269
3580
+ #
3581
+ loop_
3582
+ _em_buffer_component.buffer_id
3583
+ _em_buffer_component.id
3584
+ _em_buffer_component.concentration
3585
+ _em_buffer_component.concentration_units
3586
+ _em_buffer_component.formula
3587
+ _em_buffer_component.name
3588
+ 1 1 0.5 M NaCl 'sodium chloride'
3589
+ 1 2 0.05 M C4H11NO3 Tris-Cl
3590
+ #
3591
+ _em_ctf_correction.id 1
3592
+ _em_ctf_correction.em_image_processing_id 1
3593
+ _em_ctf_correction.type 'PHASE FLIPPING AND AMPLITUDE CORRECTION'
3594
+ _em_ctf_correction.details ?
3595
+ #
3596
+ _em_entity_assembly_molwt.entity_assembly_id 1
3597
+ _em_entity_assembly_molwt.id 1
3598
+ _em_entity_assembly_molwt.experimental_flag NO
3599
+ _em_entity_assembly_molwt.units MEGADALTONS
3600
+ _em_entity_assembly_molwt.value 0.064
3601
+ #
3602
+ _em_entity_assembly_naturalsource.id 1
3603
+ _em_entity_assembly_naturalsource.entity_assembly_id 1
3604
+ _em_entity_assembly_naturalsource.cell ?
3605
+ _em_entity_assembly_naturalsource.cellular_location ?
3606
+ _em_entity_assembly_naturalsource.ncbi_tax_id 11043
3607
+ _em_entity_assembly_naturalsource.organ .
3608
+ _em_entity_assembly_naturalsource.organelle ?
3609
+ _em_entity_assembly_naturalsource.organism 'Rubella virus strain M33'
3610
+ _em_entity_assembly_naturalsource.strain ?
3611
+ _em_entity_assembly_naturalsource.tissue ?
3612
+ #
3613
+ _em_entity_assembly_recombinant.id 1
3614
+ _em_entity_assembly_recombinant.entity_assembly_id 1
3615
+ _em_entity_assembly_recombinant.cell ?
3616
+ _em_entity_assembly_recombinant.ncbi_tax_id 469008
3617
+ _em_entity_assembly_recombinant.organism 'Escherichia coli BL21(DE3)'
3618
+ _em_entity_assembly_recombinant.plasmid pTXB1
3619
+ _em_entity_assembly_recombinant.strain 'BL21(DE3)'
3620
+ #
3621
+ _em_image_processing.id 1
3622
+ _em_image_processing.image_recording_id 1
3623
+ _em_image_processing.details ?
3624
+ #
3625
+ _em_image_recording.id 1
3626
+ _em_image_recording.imaging_id 1
3627
+ _em_image_recording.avg_electron_dose_per_image 1.0
3628
+ _em_image_recording.average_exposure_time ?
3629
+ _em_image_recording.details ?
3630
+ _em_image_recording.detector_mode SUPER-RESOLUTION
3631
+ _em_image_recording.film_or_detector_model 'GATAN K2 SUMMIT (4k x 4k)'
3632
+ _em_image_recording.num_diffraction_images ?
3633
+ _em_image_recording.num_grids_imaged ?
3634
+ _em_image_recording.num_real_images ?
3635
+ #
3636
+ loop_
3637
+ _em_software.id
3638
+ _em_software.category
3639
+ _em_software.details
3640
+ _em_software.name
3641
+ _em_software.version
3642
+ _em_software.image_processing_id
3643
+ _em_software.fitting_id
3644
+ _em_software.imaging_id
3645
+ 1 'VOLUME SELECTION' ? IMOD/PEET 4.8.40/10.1 1 ? ?
3646
+ 2 'IMAGE ACQUISITION' ? Leginon 'Tomography 3.1' ? ? 1
3647
+ 3 MASKING ? ? ? ? ? ?
3648
+ 4 'CTF CORRECTION' ? IMOD 4.8.40 1 ? ?
3649
+ 5 'LAYERLINE INDEXING' ? ? ? ? ? ?
3650
+ 6 'DIFFRACTION INDEXING' ? ? ? ? ? ?
3651
+ 7 'MODEL FITTING' ? EMfit ? ? 1 ?
3652
+ 8 OTHER ? ? ? ? ? ?
3653
+ 9 'MODEL REFINEMENT' ? ? ? ? 1 ?
3654
+ 10 'INITIAL EULER ASSIGNMENT' ? ? ? 1 ? ?
3655
+ 11 'FINAL EULER ASSIGNMENT' ? ? ? 1 ? ?
3656
+ 12 CLASSIFICATION ? ? ? 1 ? ?
3657
+ 13 RECONSTRUCTION ? PEET 10.1 1 ? ?
3658
+ #
3659
+ _em_specimen.id 1
3660
+ _em_specimen.experiment_id 1
3661
+ _em_specimen.concentration 1
3662
+ _em_specimen.details ?
3663
+ _em_specimen.embedding_applied NO
3664
+ _em_specimen.shadowing_applied NO
3665
+ _em_specimen.staining_applied NO
3666
+ _em_specimen.vitrification_applied YES
3667
+ #
3668
+ _em_volume_selection.id 1
3669
+ _em_volume_selection.details ?
3670
+ _em_volume_selection.image_processing_id 1
3671
+ _em_volume_selection.method 'manual picking'
3672
+ _em_volume_selection.num_tomograms 15
3673
+ _em_volume_selection.num_volumes_extracted 20
3674
+ _em_volume_selection.reference_model none
3675
+ #
3676
+ _pdbx_audit_support.funding_organization
3677
+ 'National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)'
3678
+ _pdbx_audit_support.country 'United States'
3679
+ _pdbx_audit_support.grant_number AI095366
3680
+ _pdbx_audit_support.ordinal 1
3681
+ #
3682
+ _pdbx_entity_nonpoly.entity_id 2
3683
+ _pdbx_entity_nonpoly.name water
3684
+ _pdbx_entity_nonpoly.comp_id HOH
3685
+ #