Ticket #20600: fold_s209a_model_0.cif

File fold_s209a_model_0.cif, 57.1 KB (added by Eric Pettersen, 6 days ago)
Line 
1# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms
2data_2a2cc62f9778e9c9
3#
4_entry.id 2a2cc62f9778e9c9
5#
6loop_
7_atom_type.symbol
8C
9N
10O
11P
12#
13loop_
14_audit_author.name
15_audit_author.pdbx_ordinal
16"Google DeepMind" 1
17"Isomorphic Labs" 2
18#
19_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic
20_audit_conform.dict_name mmcif_ma.dic
21_audit_conform.dict_version 1.4.5
22#
23loop_
24_chem_comp.formula
25_chem_comp.formula_weight
26_chem_comp.id
27_chem_comp.mon_nstd_flag
28_chem_comp.name
29_chem_comp.pdbx_smiles
30_chem_comp.pdbx_synonyms
31_chem_comp.type
32"C3 H7 N O2" 89.093 ALA y ALANINE C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING"
33"C6 H15 N4 O2" 175.209 ARG y ARGININE N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING"
34"C4 H8 N2 O3" 132.118 ASN y ASPARAGINE N[C@@H](CC(N)=O)C(O)=O ? "L-PEPTIDE LINKING"
35"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O ? "L-PEPTIDE LINKING"
36"C9 H14 N3 O8 P" 323.197 C y "CYTIDINE-5'-MONOPHOSPHATE" NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O ? "RNA LINKING"
37"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE N[C@@H](CCC(N)=O)C(O)=O ? "L-PEPTIDE LINKING"
38"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O ? "L-PEPTIDE LINKING"
39"C2 H5 N O2" 75.067 GLY y GLYCINE NCC(O)=O ? "PEPTIDE LINKING"
40"C6 H10 N3 O2" 156.162 HIS y HISTIDINE N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O ? "L-PEPTIDE LINKING"
41"C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING"
42"C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@H](N)C(O)=O ? "L-PEPTIDE LINKING"
43"C6 H15 N2 O2" 147.195 LYS y LYSINE N[C@@H](CCCC[NH3+])C(O)=O ? "L-PEPTIDE LINKING"
44"C9 H11 N O2" 165.189 PHE y PHENYLALANINE N[C@@H](Cc1ccccc1)C(O)=O ? "L-PEPTIDE LINKING"
45"C5 H9 N O2" 115.130 PRO y PROLINE OC(=O)[C@@H]1CCCN1 ? "L-PEPTIDE LINKING"
46"C4 H9 N O3" 119.119 THR y THREONINE C[C@@H](O)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING"
47"C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O ? "L-PEPTIDE LINKING"
48"C9 H11 N O3" 181.189 TYR y TYROSINE N[C@@H](Cc1ccc(O)cc1)C(O)=O ? "L-PEPTIDE LINKING"
49"C9 H13 N2 O9 P" 324.181 U y "URIDINE-5'-MONOPHOSPHATE" O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O ? "RNA LINKING"
50"C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@H](N)C(O)=O ? "L-PEPTIDE LINKING"
51#
52_citation.book_publisher ?
53_citation.country UK
54_citation.id primary
55_citation.journal_full Nature
56_citation.journal_id_ASTM NATUAS
57_citation.journal_id_CSD 0006
58_citation.journal_id_ISSN 0028-0836
59_citation.journal_volume 630
60_citation.page_first 493
61_citation.page_last 500
62_citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w
63_citation.pdbx_database_id_PubMed 38718835
64_citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3"
65_citation.year 2024
66#
67loop_
68_citation_author.citation_id
69_citation_author.name
70_citation_author.ordinal
71primary "Google DeepMind" 1
72primary "Isomorphic Labs" 2
73#
74loop_
75_entity.id
76_entity.pdbx_description
77_entity.type
781 . polymer
792 . polymer
80#
81loop_
82_entity_poly.entity_id
83_entity_poly.pdbx_strand_id
84_entity_poly.type
851 A polypeptide(L)
862 B polyribonucleotide
87#
88loop_
89_entity_poly_seq.entity_id
90_entity_poly_seq.hetero
91_entity_poly_seq.mon_id
92_entity_poly_seq.num
931 n GLY 1
941 n THR 2
951 n VAL 3
961 n LYS 4
971 n TRP 5
981 n PHE 6
991 n ASN 7
1001 n VAL 8
1011 n ARG 9
1021 n ASN 10
1031 n GLY 11
1041 n TYR 12
1051 n GLY 13
1061 n PHE 14
1071 n ILE 15
1081 n ASN 16
1091 n ARG 17
1101 n ASN 18
1111 n ASP 19
1121 n THR 20
1131 n LYS 21
1141 n GLU 22
1151 n ASP 23
1161 n VAL 24
1171 n PHE 25
1181 n VAL 26
1191 n HIS 27
1201 n GLN 28
1211 n THR 29
1221 n ALA 30
1231 n ILE 31
1241 n LYS 32
1251 n LYS 33
1261 n ASN 34
1271 n ASN 35
1281 n PRO 36
1291 n ARG 37
1301 n LYS 38
1311 n TYR 39
1321 n LEU 40
1331 n ARG 41
1341 n ALA 42
1351 n VAL 43
1361 n GLY 44
1371 n ASP 45
1381 n GLY 46
1391 n GLU 47
1401 n THR 48
1411 n VAL 49
1421 n GLU 50
1431 n PHE 51
1441 n ASP 52
1451 n VAL 53
1461 n VAL 54
1471 n GLU 55
1481 n GLY 56
1491 n GLU 57
1501 n LYS 58
1511 n GLY 59
1521 n ALA 60
1531 n GLU 61
1541 n ALA 62
1551 n ALA 63
1561 n ASN 64
1571 n VAL 65
1582 n U 1
1592 n U 2
1602 n U 3
1612 n C 4
1622 n C 5
1632 n C 6
164#
165_ma_data.content_type "model coordinates"
166_ma_data.id 1
167_ma_data.name Model
168#
169loop_
170_ma_data_ref_db.id
171_ma_data_ref_db.location_url
172_ma_data_ref_db.name
173_ma_data_ref_db.release_date
174_ma_data_ref_db.version
1751 . mgnify . 2022_05
1762 . nt_rna . 2023_02_23_90
1773 . rfam . 14_9_90
1784 . rnacentral . 21_0_90
1795 . small_bfd . default
1806 . uniprot_cluster_annot . 2021_04
1817 . uniref90 . 2022_05
182#
183_ma_model_list.data_id 1
184_ma_model_list.model_group_id 1
185_ma_model_list.model_group_name "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-08 02:57:53)"
186_ma_model_list.model_id 1
187_ma_model_list.model_name "Top ranked model"
188_ma_model_list.model_type "Ab initio model"
189_ma_model_list.ordinal_id 1
190#
191loop_
192_ma_protocol_step.method_type
193_ma_protocol_step.ordinal_id
194_ma_protocol_step.protocol_id
195_ma_protocol_step.step_id
196"coevolution MSA" 1 1 1
197"template search" 2 1 2
198modeling 3 1 3
199#
200loop_
201_ma_qa_metric.id
202_ma_qa_metric.mode
203_ma_qa_metric.name
204_ma_qa_metric.software_group_id
205_ma_qa_metric.type
2061 global pLDDT 1 pLDDT
2072 local pLDDT 1 pLDDT
208#
209_ma_qa_metric_global.metric_id 1
210_ma_qa_metric_global.metric_value 94.48
211_ma_qa_metric_global.model_id 1
212_ma_qa_metric_global.ordinal_id 1
213#
214_ma_software_group.group_id 1
215_ma_software_group.ordinal_id 1
216_ma_software_group.software_id 1
217#
218loop_
219_ma_target_entity.data_id
220_ma_target_entity.entity_id
221_ma_target_entity.origin
2221 1 .
2231 2 .
224#
225loop_
226_ma_target_entity_instance.asym_id
227_ma_target_entity_instance.details
228_ma_target_entity_instance.entity_id
229A . 1
230B . 2
231#
232loop_
233_pdbx_data_usage.details
234_pdbx_data_usage.id
235_pdbx_data_usage.type
236_pdbx_data_usage.url
237;NON-COMMERCIAL USE ONLY, BY USING THIS FILE YOU AGREE TO THE TERMS OF USE FOUND
238AT alphafoldserver.com/output-terms.
239;
2401 license ?
241;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT
242APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED
243ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY
244AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY
245WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT
246USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY.
247;
2482 disclaimer ?
249#
250loop_
251_pdbx_poly_seq_scheme.asym_id
252_pdbx_poly_seq_scheme.auth_seq_num
253_pdbx_poly_seq_scheme.entity_id
254_pdbx_poly_seq_scheme.hetero
255_pdbx_poly_seq_scheme.mon_id
256_pdbx_poly_seq_scheme.pdb_ins_code
257_pdbx_poly_seq_scheme.pdb_seq_num
258_pdbx_poly_seq_scheme.pdb_strand_id
259_pdbx_poly_seq_scheme.seq_id
260A 1 1 n GLY . 1 A 1
261A 2 1 n THR . 2 A 2
262A 3 1 n VAL . 3 A 3
263A 4 1 n LYS . 4 A 4
264A 5 1 n TRP . 5 A 5
265A 6 1 n PHE . 6 A 6
266A 7 1 n ASN . 7 A 7
267A 8 1 n VAL . 8 A 8
268A 9 1 n ARG . 9 A 9
269A 10 1 n ASN . 10 A 10
270A 11 1 n GLY . 11 A 11
271A 12 1 n TYR . 12 A 12
272A 13 1 n GLY . 13 A 13
273A 14 1 n PHE . 14 A 14
274A 15 1 n ILE . 15 A 15
275A 16 1 n ASN . 16 A 16
276A 17 1 n ARG . 17 A 17
277A 18 1 n ASN . 18 A 18
278A 19 1 n ASP . 19 A 19
279A 20 1 n THR . 20 A 20
280A 21 1 n LYS . 21 A 21
281A 22 1 n GLU . 22 A 22
282A 23 1 n ASP . 23 A 23
283A 24 1 n VAL . 24 A 24
284A 25 1 n PHE . 25 A 25
285A 26 1 n VAL . 26 A 26
286A 27 1 n HIS . 27 A 27
287A 28 1 n GLN . 28 A 28
288A 29 1 n THR . 29 A 29
289A 30 1 n ALA . 30 A 30
290A 31 1 n ILE . 31 A 31
291A 32 1 n LYS . 32 A 32
292A 33 1 n LYS . 33 A 33
293A 34 1 n ASN . 34 A 34
294A 35 1 n ASN . 35 A 35
295A 36 1 n PRO . 36 A 36
296A 37 1 n ARG . 37 A 37
297A 38 1 n LYS . 38 A 38
298A 39 1 n TYR . 39 A 39
299A 40 1 n LEU . 40 A 40
300A 41 1 n ARG . 41 A 41
301A 42 1 n ALA . 42 A 42
302A 43 1 n VAL . 43 A 43
303A 44 1 n GLY . 44 A 44
304A 45 1 n ASP . 45 A 45
305A 46 1 n GLY . 46 A 46
306A 47 1 n GLU . 47 A 47
307A 48 1 n THR . 48 A 48
308A 49 1 n VAL . 49 A 49
309A 50 1 n GLU . 50 A 50
310A 51 1 n PHE . 51 A 51
311A 52 1 n ASP . 52 A 52
312A 53 1 n VAL . 53 A 53
313A 54 1 n VAL . 54 A 54
314A 55 1 n GLU . 55 A 55
315A 56 1 n GLY . 56 A 56
316A 57 1 n GLU . 57 A 57
317A 58 1 n LYS . 58 A 58
318A 59 1 n GLY . 59 A 59
319A 60 1 n ALA . 60 A 60
320A 61 1 n GLU . 61 A 61
321A 62 1 n ALA . 62 A 62
322A 63 1 n ALA . 63 A 63
323A 64 1 n ASN . 64 A 64
324A 65 1 n VAL . 65 A 65
325B 1 2 n U . 1 B 1
326B 2 2 n U . 2 B 2
327B 3 2 n U . 3 B 3
328B 4 2 n C . 4 B 4
329B 5 2 n C . 5 B 5
330B 6 2 n C . 6 B 6
331#
332_software.classification other
333_software.date ?
334_software.description "Structure prediction"
335_software.name AlphaFold
336_software.pdbx_ordinal 1
337_software.type package
338_software.version "AlphaFold-beta-20231127 (4c57ada1-d2d3-440e-bb24-9ab9fa6da323 @ 2026-07-08 02:57:53)"
339#
340loop_
341_struct_asym.entity_id
342_struct_asym.id
3431 A
3442 B
345#
346loop_
347_atom_site.group_PDB
348_atom_site.id
349_atom_site.type_symbol
350_atom_site.label_atom_id
351_atom_site.label_alt_id
352_atom_site.label_comp_id
353_atom_site.label_asym_id
354_atom_site.label_entity_id
355_atom_site.label_seq_id
356_atom_site.pdbx_PDB_ins_code
357_atom_site.Cartn_x
358_atom_site.Cartn_y
359_atom_site.Cartn_z
360_atom_site.occupancy
361_atom_site.B_iso_or_equiv
362_atom_site.auth_seq_id
363_atom_site.auth_asym_id
364_atom_site.pdbx_PDB_model_num
365ATOM 1 N N . GLY A 1 1 ? 3.989 -0.869 9.880 1.00 98.89 1 A 1
366ATOM 2 C CA . GLY A 1 1 ? 3.752 0.459 9.324 1.00 98.89 1 A 1
367ATOM 3 C C . GLY A 1 1 ? 2.274 0.791 9.272 1.00 98.80 1 A 1
368ATOM 4 O O . GLY A 1 1 ? 1.435 -0.062 9.570 1.00 98.49 1 A 1
369ATOM 5 N N . THR A 1 2 ? 1.978 2.024 8.903 1.00 98.96 2 A 1
370ATOM 6 C CA . THR A 1 2 ? 0.605 2.481 8.788 1.00 98.92 2 A 1
371ATOM 7 C C . THR A 1 2 ? 0.309 2.847 7.336 1.00 98.90 2 A 1
372ATOM 8 O O . THR A 1 2 ? 1.068 3.592 6.713 1.00 98.85 2 A 1
373ATOM 9 C CB . THR A 1 2 ? 0.350 3.701 9.684 1.00 98.85 2 A 1
374ATOM 10 O OG1 . THR A 1 2 ? 0.655 3.370 11.039 1.00 97.62 2 A 1
375ATOM 11 C CG2 . THR A 1 2 ? -1.104 4.148 9.596 1.00 97.43 2 A 1
376ATOM 12 N N . VAL A 1 3 ? -0.786 2.324 6.808 1.00 98.99 3 A 1
377ATOM 13 C CA . VAL A 1 3 ? -1.162 2.599 5.428 1.00 98.96 3 A 1
378ATOM 14 C C . VAL A 1 3 ? -1.546 4.070 5.290 1.00 98.98 3 A 1
379ATOM 15 O O . VAL A 1 3 ? -2.510 4.531 5.895 1.00 98.84 3 A 1
380ATOM 16 C CB . VAL A 1 3 ? -2.325 1.703 4.973 1.00 98.85 3 A 1
381ATOM 17 C CG1 . VAL A 1 3 ? -2.730 2.035 3.546 1.00 98.69 3 A 1
382ATOM 18 C CG2 . VAL A 1 3 ? -1.937 0.236 5.085 1.00 98.66 3 A 1
383ATOM 19 N N . LYS A 1 4 ? -0.777 4.790 4.507 1.00 98.85 4 A 1
384ATOM 20 C CA . LYS A 1 4 ? -1.071 6.196 4.269 1.00 98.87 4 A 1
385ATOM 21 C C . LYS A 1 4 ? -2.305 6.308 3.387 1.00 98.87 4 A 1
386ATOM 22 O O . LYS A 1 4 ? -3.244 7.033 3.701 1.00 98.71 4 A 1
387ATOM 23 C CB . LYS A 1 4 ? 0.140 6.888 3.610 1.00 98.78 4 A 1
388ATOM 24 C CG . LYS A 1 4 ? -0.033 8.381 3.422 1.00 97.95 4 A 1
389ATOM 25 C CD . LYS A 1 4 ? 1.233 8.995 2.844 1.00 96.96 4 A 1
390ATOM 26 C CE . LYS A 1 4 ? 1.100 10.498 2.705 1.00 94.75 4 A 1
391ATOM 27 N NZ . LYS A 1 4 ? 2.336 11.119 2.144 1.00 91.09 4 A 1
392ATOM 28 N N . TRP A 1 5 ? -2.297 5.578 2.283 1.00 98.93 5 A 1
393ATOM 29 C CA . TRP A 1 5 ? -3.453 5.452 1.417 1.00 98.81 5 A 1
394ATOM 30 C C . TRP A 1 5 ? -3.210 4.333 0.423 1.00 98.94 5 A 1
395ATOM 31 O O . TRP A 1 5 ? -2.061 3.992 0.117 1.00 98.84 5 A 1
396ATOM 32 C CB . TRP A 1 5 ? -3.761 6.764 0.663 1.00 98.84 5 A 1
397ATOM 33 C CG . TRP A 1 5 ? -2.656 7.302 -0.201 1.00 98.81 5 A 1
398ATOM 34 C CD1 . TRP A 1 5 ? -1.775 8.292 0.142 1.00 98.52 5 A 1
399ATOM 35 C CD2 . TRP A 1 5 ? -2.327 6.936 -1.547 1.00 98.77 5 A 1
400ATOM 36 N NE1 . TRP A 1 5 ? -0.925 8.553 -0.904 1.00 98.31 5 A 1
401ATOM 37 C CE2 . TRP A 1 5 ? -1.239 7.738 -1.962 1.00 98.65 5 A 1
402ATOM 38 C CE3 . TRP A 1 5 ? -2.850 6.002 -2.455 1.00 98.43 5 A 1
403ATOM 39 C CZ2 . TRP A 1 5 ? -0.668 7.633 -3.226 1.00 98.37 5 A 1
404ATOM 40 C CZ3 . TRP A 1 5 ? -2.281 5.900 -3.716 1.00 98.38 5 A 1
405ATOM 41 C CH2 . TRP A 1 5 ? -1.197 6.707 -4.094 1.00 98.30 5 A 1
406ATOM 42 N N . PHE A 1 6 ? -4.287 3.751 -0.060 1.00 98.70 6 A 1
407ATOM 43 C CA . PHE A 1 6 ? -4.202 2.719 -1.079 1.00 98.79 6 A 1
408ATOM 44 C C . PHE A 1 6 ? -5.338 2.913 -2.061 1.00 98.69 6 A 1
409ATOM 45 O O . PHE A 1 6 ? -6.509 2.887 -1.677 1.00 98.41 6 A 1
410ATOM 46 C CB . PHE A 1 6 ? -4.258 1.320 -0.467 1.00 98.67 6 A 1
411ATOM 47 C CG . PHE A 1 6 ? -3.965 0.231 -1.466 1.00 98.66 6 A 1
412ATOM 48 C CD1 . PHE A 1 6 ? -2.661 -0.158 -1.728 1.00 98.43 6 A 1
413ATOM 49 C CD2 . PHE A 1 6 ? -4.995 -0.396 -2.157 1.00 98.43 6 A 1
414ATOM 50 C CE1 . PHE A 1 6 ? -2.383 -1.149 -2.652 1.00 98.23 6 A 1
415ATOM 51 C CE2 . PHE A 1 6 ? -4.726 -1.380 -3.092 1.00 98.26 6 A 1
416ATOM 52 C CZ . PHE A 1 6 ? -3.420 -1.766 -3.340 1.00 98.24 6 A 1
417ATOM 53 N N . ASN A 1 7 ? -4.985 3.108 -3.312 1.00 98.69 7 A 1
418ATOM 54 C CA . ASN A 1 7 ? -5.963 3.321 -4.370 1.00 98.64 7 A 1
419ATOM 55 C C . ASN A 1 7 ? -6.216 2.001 -5.081 1.00 98.59 7 A 1
420ATOM 56 O O . ASN A 1 7 ? -5.347 1.478 -5.781 1.00 98.28 7 A 1
421ATOM 57 C CB . ASN A 1 7 ? -5.453 4.385 -5.345 1.00 98.54 7 A 1
422ATOM 58 C CG . ASN A 1 7 ? -6.503 4.810 -6.347 1.00 98.28 7 A 1
423ATOM 59 O OD1 . ASN A 1 7 ? -7.091 3.984 -7.047 1.00 96.51 7 A 1
424ATOM 60 N ND2 . ASN A 1 7 ? -6.755 6.104 -6.439 1.00 95.92 7 A 1
425ATOM 61 N N . VAL A 1 8 ? -7.414 1.464 -4.887 1.00 98.18 8 A 1
426ATOM 62 C CA . VAL A 1 8 ? -7.770 0.173 -5.471 1.00 97.85 8 A 1
427ATOM 63 C C . VAL A 1 8 ? -7.841 0.246 -6.996 1.00 97.83 8 A 1
428ATOM 64 O O . VAL A 1 8 ? -7.460 -0.708 -7.683 1.00 97.08 8 A 1
429ATOM 65 C CB . VAL A 1 8 ? -9.111 -0.334 -4.901 1.00 97.18 8 A 1
430ATOM 66 C CG1 . VAL A 1 8 ? -9.542 -1.624 -5.586 1.00 94.48 8 A 1
431ATOM 67 C CG2 . VAL A 1 8 ? -8.988 -0.550 -3.404 1.00 94.47 8 A 1
432ATOM 68 N N . ARG A 1 9 ? -8.312 1.369 -7.509 1.00 97.57 9 A 1
433ATOM 69 C CA . ARG A 1 9 ? -8.420 1.524 -8.961 1.00 97.53 9 A 1
434ATOM 70 C C . ARG A 1 9 ? -7.053 1.526 -9.632 1.00 97.63 9 A 1
435ATOM 71 O O . ARG A 1 9 ? -6.859 0.915 -10.682 1.00 96.89 9 A 1
436ATOM 72 C CB . ARG A 1 9 ? -9.183 2.804 -9.302 1.00 96.97 9 A 1
437ATOM 73 C CG . ARG A 1 9 ? -10.688 2.651 -9.248 1.00 92.09 9 A 1
438ATOM 74 C CD . ARG A 1 9 ? -11.377 4.001 -9.303 1.00 90.90 9 A 1
439ATOM 75 N NE . ARG A 1 9 ? -10.785 4.857 -10.326 1.00 85.17 9 A 1
440ATOM 76 C CZ . ARG A 1 9 ? -10.884 6.180 -10.346 1.00 81.77 9 A 1
441ATOM 77 N NH1 . ARG A 1 9 ? -11.563 6.809 -9.405 1.00 74.84 9 A 1
442ATOM 78 N NH2 . ARG A 1 9 ? -10.301 6.870 -11.311 1.00 75.19 9 A 1
443ATOM 79 N N . ASN A 1 10 ? -6.104 2.231 -9.027 1.00 98.09 10 A 1
444ATOM 80 C CA . ASN A 1 10 ? -4.763 2.292 -9.587 1.00 98.02 10 A 1
445ATOM 81 C C . ASN A 1 10 ? -3.921 1.082 -9.209 1.00 98.27 10 A 1
446ATOM 82 O O . ASN A 1 10 ? -2.940 0.762 -9.885 1.00 97.70 10 A 1
447ATOM 83 C CB . ASN A 1 10 ? -4.055 3.575 -9.141 1.00 97.63 10 A 1
448ATOM 84 C CG . ASN A 1 10 ? -4.707 4.819 -9.698 1.00 95.84 10 A 1
449ATOM 85 O OD1 . ASN A 1 10 ? -5.501 4.760 -10.633 1.00 90.43 10 A 1
450ATOM 86 N ND2 . ASN A 1 10 ? -4.366 5.963 -9.129 1.00 89.27 10 A 1
451ATOM 87 N N . GLY A 1 11 ? -4.289 0.407 -8.121 1.00 98.31 11 A 1
452ATOM 88 C CA . GLY A 1 11 ? -3.604 -0.804 -7.719 1.00 98.21 11 A 1
453ATOM 89 C C . GLY A 1 11 ? -2.344 -0.603 -6.901 1.00 98.41 11 A 1
454ATOM 90 O O . GLY A 1 11 ? -1.522 -1.523 -6.796 1.00 98.21 11 A 1
455ATOM 91 N N . TYR A 1 12 ? -2.182 0.574 -6.321 1.00 98.33 12 A 1
456ATOM 92 C CA . TYR A 1 12 ? -1.002 0.823 -5.504 1.00 98.58 12 A 1
457ATOM 93 C C . TYR A 1 12 ? -1.276 1.897 -4.453 1.00 98.57 12 A 1
458ATOM 94 O O . TYR A 1 12 ? -2.288 2.599 -4.505 1.00 98.42 12 A 1
459ATOM 95 C CB . TYR A 1 12 ? 0.196 1.226 -6.375 1.00 98.46 12 A 1
460ATOM 96 C CG . TYR A 1 12 ? 0.152 2.651 -6.874 1.00 98.35 12 A 1
461ATOM 97 C CD1 . TYR A 1 12 ? -0.479 2.970 -8.067 1.00 97.99 12 A 1
462ATOM 98 C CD2 . TYR A 1 12 ? 0.758 3.674 -6.157 1.00 97.80 12 A 1
463ATOM 99 C CE1 . TYR A 1 12 ? -0.520 4.274 -8.533 1.00 97.47 12 A 1
464ATOM 100 C CE2 . TYR A 1 12 ? 0.717 4.989 -6.613 1.00 97.46 12 A 1
465ATOM 101 C CZ . TYR A 1 12 ? 0.083 5.285 -7.799 1.00 97.50 12 A 1
466ATOM 102 O OH . TYR A 1 12 ? 0.039 6.572 -8.248 1.00 96.45 12 A 1
467ATOM 103 N N . GLY A 1 13 ? -0.352 1.999 -3.514 1.00 98.80 13 A 1
468ATOM 104 C CA . GLY A 1 13 ? -0.444 3.001 -2.474 1.00 98.86 13 A 1
469ATOM 105 C C . GLY A 1 13 ? 0.872 3.127 -1.743 1.00 98.96 13 A 1
470ATOM 106 O O . GLY A 1 13 ? 1.915 2.725 -2.261 1.00 98.88 13 A 1
471ATOM 107 N N . PHE A 1 14 ? 0.815 3.686 -0.541 1.00 98.82 14 A 1
472ATOM 108 C CA . PHE A 1 14 ? 2.015 3.882 0.246 1.00 98.91 14 A 1
473ATOM 109 C C . PHE A 1 14 ? 1.774 3.543 1.710 1.00 98.99 14 A 1
474ATOM 110 O O . PHE A 1 14 ? 0.704 3.816 2.261 1.00 98.82 14 A 1
475ATOM 111 C CB . PHE A 1 14 ? 2.524 5.316 0.120 1.00 98.85 14 A 1
476ATOM 112 C CG . PHE A 1 14 ? 3.154 5.604 -1.210 1.00 98.78 14 A 1
477ATOM 113 C CD1 . PHE A 1 14 ? 2.383 6.009 -2.290 1.00 98.51 14 A 1
478ATOM 114 C CD2 . PHE A 1 14 ? 4.521 5.449 -1.391 1.00 98.55 14 A 1
479ATOM 115 C CE1 . PHE A 1 14 ? 2.959 6.257 -3.525 1.00 98.26 14 A 1
480ATOM 116 C CE2 . PHE A 1 14 ? 5.106 5.700 -2.620 1.00 98.20 14 A 1
481ATOM 117 C CZ . PHE A 1 14 ? 4.329 6.104 -3.685 1.00 98.16 14 A 1
482ATOM 118 N N . ILE A 1 15 ? 2.777 2.939 2.324 1.00 98.96 15 A 1
483ATOM 119 C CA . ILE A 1 15 ? 2.746 2.585 3.733 1.00 98.90 15 A 1
484ATOM 120 C C . ILE A 1 15 ? 3.838 3.373 4.438 1.00 98.90 15 A 1
485ATOM 121 O O . ILE A 1 15 ? 4.990 3.374 4.000 1.00 98.87 15 A 1
486ATOM 122 C CB . ILE A 1 15 ? 2.978 1.080 3.953 1.00 98.90 15 A 1
487ATOM 123 C CG1 . ILE A 1 15 ? 1.937 0.252 3.191 1.00 98.56 15 A 1
488ATOM 124 C CG2 . ILE A 1 15 ? 2.933 0.750 5.443 1.00 98.52 15 A 1
489ATOM 125 C CD1 . ILE A 1 15 ? 2.262 -1.225 3.139 1.00 98.05 15 A 1
490ATOM 126 N N . ASN A 1 16 ? 3.478 4.063 5.510 1.00 98.82 16 A 1
491ATOM 127 C CA . ASN A 1 16 ? 4.453 4.802 6.281 1.00 98.81 16 A 1
492ATOM 128 C C . ASN A 1 16 ? 5.131 3.862 7.271 1.00 98.87 16 A 1
493ATOM 129 O O . ASN A 1 16 ? 4.470 3.280 8.131 1.00 98.76 16 A 1
494ATOM 130 C CB . ASN A 1 16 ? 3.798 5.965 7.014 1.00 98.83 16 A 1
495ATOM 131 C CG . ASN A 1 16 ? 4.812 6.878 7.689 1.00 98.57 16 A 1
496ATOM 132 O OD1 . ASN A 1 16 ? 5.054 6.780 8.891 1.00 95.30 16 A 1
497ATOM 133 N ND2 . ASN A 1 16 ? 5.413 7.760 6.915 1.00 95.40 16 A 1
498ATOM 134 N N . ARG A 1 17 ? 6.443 3.701 7.140 1.00 98.60 17 A 1
499ATOM 135 C CA . ARG A 1 17 ? 7.196 2.815 8.007 1.00 98.43 17 A 1
500ATOM 136 C C . ARG A 1 17 ? 7.255 3.367 9.424 1.00 98.43 17 A 1
501ATOM 137 O O . ARG A 1 17 ? 7.489 4.556 9.627 1.00 98.07 17 A 1
502ATOM 138 C CB . ARG A 1 17 ? 8.612 2.615 7.475 1.00 98.04 17 A 1
503ATOM 139 C CG . ARG A 1 17 ? 8.672 1.861 6.160 1.00 96.30 17 A 1
504ATOM 140 C CD . ARG A 1 17 ? 10.100 1.779 5.628 1.00 95.57 17 A 1
505ATOM 141 N NE . ARG A 1 17 ? 10.985 1.052 6.535 1.00 95.21 17 A 1
506ATOM 142 C CZ . ARG A 1 17 ? 12.239 0.700 6.229 1.00 95.02 17 A 1
507ATOM 143 N NH1 . ARG A 1 17 ? 12.755 1.008 5.051 1.00 92.14 17 A 1
508ATOM 144 N NH2 . ARG A 1 17 ? 12.983 0.040 7.109 1.00 91.29 17 A 1
509ATOM 145 N N . ASN A 1 18 ? 7.046 2.493 10.396 1.00 98.31 18 A 1
510ATOM 146 C CA . ASN A 1 18 ? 7.112 2.899 11.786 1.00 98.05 18 A 1
511ATOM 147 C C . ASN A 1 18 ? 8.549 3.035 12.273 1.00 98.18 18 A 1
512ATOM 148 O O . ASN A 1 18 ? 8.819 3.782 13.215 1.00 96.59 18 A 1
513ATOM 149 C CB . ASN A 1 18 ? 6.348 1.912 12.670 1.00 97.25 18 A 1
514ATOM 150 C CG . ASN A 1 18 ? 4.850 1.982 12.470 1.00 94.60 18 A 1
515ATOM 151 O OD1 . ASN A 1 18 ? 4.316 3.000 12.031 1.00 88.94 18 A 1
516ATOM 152 N ND2 . ASN A 1 18 ? 4.156 0.911 12.799 1.00 87.46 18 A 1
517ATOM 153 N N . ASP A 1 19 ? 9.463 2.314 11.638 1.00 97.14 19 A 1
518ATOM 154 C CA . ASP A 1 19 ? 10.857 2.347 12.064 1.00 96.52 19 A 1
519ATOM 155 C C . ASP A 1 19 ? 11.624 3.542 11.513 1.00 96.97 19 A 1
520ATOM 156 O O . ASP A 1 19 ? 12.395 4.175 12.233 1.00 94.86 19 A 1
521ATOM 157 C CB . ASP A 1 19 ? 11.572 1.038 11.701 1.00 94.80 19 A 1
522ATOM 158 C CG . ASP A 1 19 ? 11.510 0.716 10.221 1.00 91.87 19 A 1
523ATOM 159 O OD1 . ASP A 1 19 ? 10.721 1.341 9.498 1.00 88.94 19 A 1
524ATOM 160 O OD2 . ASP A 1 19 ? 12.263 -0.183 9.780 1.00 87.93 19 A 1
525ATOM 161 N N . THR A 1 20 ? 11.409 3.861 10.245 1.00 97.73 20 A 1
526ATOM 162 C CA . THR A 1 20 ? 12.132 4.958 9.605 1.00 97.75 20 A 1
527ATOM 163 C C . THR A 1 20 ? 11.256 6.178 9.329 1.00 98.05 20 A 1
528ATOM 164 O O . THR A 1 20 ? 11.770 7.245 8.993 1.00 97.45 20 A 1
529ATOM 165 C CB . THR A 1 20 ? 12.754 4.509 8.272 1.00 97.06 20 A 1
530ATOM 166 O OG1 . THR A 1 20 ? 11.716 4.233 7.327 1.00 95.44 20 A 1
531ATOM 167 C CG2 . THR A 1 20 ? 13.606 3.265 8.458 1.00 94.12 20 A 1
532ATOM 168 N N . LYS A 1 21 ? 9.951 6.028 9.477 1.00 98.29 21 A 1
533ATOM 169 C CA . LYS A 1 21 ? 8.979 7.091 9.224 1.00 98.30 21 A 1
534ATOM 170 C C . LYS A 1 21 ? 8.945 7.526 7.752 1.00 98.48 21 A 1
535ATOM 171 O O . LYS A 1 21 ? 8.411 8.586 7.428 1.00 97.73 21 A 1
536ATOM 172 C CB . LYS A 1 21 ? 9.247 8.309 10.118 1.00 97.92 21 A 1
537ATOM 173 C CG . LYS A 1 21 ? 9.278 7.973 11.608 1.00 95.71 21 A 1
538ATOM 174 C CD . LYS A 1 21 ? 7.969 7.350 12.071 1.00 89.91 21 A 1
539ATOM 175 C CE . LYS A 1 21 ? 8.026 6.978 13.549 1.00 86.79 21 A 1
540ATOM 176 N NZ . LYS A 1 21 ? 6.784 6.306 14.001 1.00 79.12 21 A 1
541ATOM 177 N N . GLU A 1 22 ? 9.498 6.699 6.872 1.00 98.04 22 A 1
542ATOM 178 C CA . GLU A 1 22 ? 9.474 6.970 5.446 1.00 97.90 22 A 1
543ATOM 179 C C . GLU A 1 22 ? 8.325 6.209 4.786 1.00 98.33 22 A 1
544ATOM 180 O O . GLU A 1 22 ? 7.919 5.149 5.247 1.00 98.16 22 A 1
545ATOM 181 C CB . GLU A 1 22 ? 10.792 6.572 4.781 1.00 97.02 22 A 1
546ATOM 182 C CG . GLU A 1 22 ? 11.991 7.364 5.260 1.00 90.36 22 A 1
547ATOM 183 C CD . GLU A 1 22 ? 13.271 6.968 4.541 1.00 86.27 22 A 1
548ATOM 184 O OE1 . GLU A 1 22 ? 13.191 6.219 3.544 1.00 81.45 22 A 1
549ATOM 185 O OE2 . GLU A 1 22 ? 14.357 7.398 4.968 1.00 80.98 22 A 1
550ATOM 186 N N . ASP A 1 23 ? 7.806 6.775 3.708 1.00 98.62 23 A 1
551ATOM 187 C CA . ASP A 1 23 ? 6.775 6.102 2.935 1.00 98.68 23 A 1
552ATOM 188 C C . ASP A 1 23 ? 7.429 5.077 2.016 1.00 98.50 23 A 1
553ATOM 189 O O . ASP A 1 23 ? 8.463 5.349 1.407 1.00 98.02 23 A 1
554ATOM 190 C CB . ASP A 1 23 ? 5.977 7.094 2.089 1.00 98.58 23 A 1
555ATOM 191 C CG . ASP A 1 23 ? 5.095 7.996 2.919 1.00 98.36 23 A 1
556ATOM 192 O OD1 . ASP A 1 23 ? 4.823 7.663 4.087 1.00 97.41 23 A 1
557ATOM 193 O OD2 . ASP A 1 23 ? 4.665 9.043 2.394 1.00 97.22 23 A 1
558ATOM 194 N N . VAL A 1 24 ? 6.825 3.894 1.933 1.00 98.79 24 A 1
559ATOM 195 C CA . VAL A 1 24 ? 7.292 2.865 1.018 1.00 98.71 24 A 1
560ATOM 196 C C . VAL A 1 24 ? 6.172 2.498 0.063 1.00 98.87 24 A 1
561ATOM 197 O O . VAL A 1 24 ? 5.014 2.369 0.458 1.00 98.70 24 A 1
562ATOM 198 C CB . VAL A 1 24 ? 7.793 1.599 1.751 1.00 98.39 24 A 1
563ATOM 199 C CG1 . VAL A 1 24 ? 9.087 1.913 2.492 1.00 94.08 24 A 1
564ATOM 200 C CG2 . VAL A 1 24 ? 6.751 1.067 2.707 1.00 94.90 24 A 1
565ATOM 201 N N . PHE A 1 25 ? 6.532 2.348 -1.182 1.00 98.74 25 A 1
566ATOM 202 C CA . PHE A 1 25 ? 5.597 1.979 -2.231 1.00 98.76 25 A 1
567ATOM 203 C C . PHE A 1 25 ? 5.057 0.579 -1.995 1.00 98.79 25 A 1
568ATOM 204 O O . PHE A 1 25 ? 5.796 -0.320 -1.578 1.00 98.72 25 A 1
569ATOM 205 C CB . PHE A 1 25 ? 6.309 2.064 -3.582 1.00 98.61 25 A 1
570ATOM 206 C CG . PHE A 1 25 ? 5.481 1.624 -4.751 1.00 98.47 25 A 1
571ATOM 207 C CD1 . PHE A 1 25 ? 4.622 2.506 -5.384 1.00 98.14 25 A 1
572ATOM 208 C CD2 . PHE A 1 25 ? 5.588 0.335 -5.245 1.00 98.14 25 A 1
573ATOM 209 C CE1 . PHE A 1 25 ? 3.872 2.109 -6.478 1.00 97.68 25 A 1
574ATOM 210 C CE2 . PHE A 1 25 ? 4.835 -0.078 -6.341 1.00 97.66 25 A 1
575ATOM 211 C CZ . PHE A 1 25 ? 3.980 0.822 -6.958 1.00 97.65 25 A 1
576ATOM 212 N N . VAL A 1 26 ? 3.774 0.386 -2.247 1.00 98.68 26 A 1
577ATOM 213 C CA . VAL A 1 26 ? 3.177 -0.942 -2.162 1.00 98.61 26 A 1
578ATOM 214 C C . VAL A 1 26 ? 2.244 -1.146 -3.347 1.00 98.58 26 A 1
579ATOM 215 O O . VAL A 1 26 ? 1.332 -0.356 -3.582 1.00 98.32 26 A 1
580ATOM 216 C CB . VAL A 1 26 ? 2.418 -1.164 -0.834 1.00 98.63 26 A 1
581ATOM 217 C CG1 . VAL A 1 26 ? 1.335 -0.116 -0.614 1.00 98.31 26 A 1
582ATOM 218 C CG2 . VAL A 1 26 ? 1.801 -2.565 -0.811 1.00 98.08 26 A 1
583ATOM 219 N N . HIS A 1 27 ? 2.497 -2.200 -4.099 1.00 98.33 27 A 1
584ATOM 220 C CA . HIS A 1 27 ? 1.641 -2.570 -5.211 1.00 98.09 27 A 1
585ATOM 221 C C . HIS A 1 27 ? 0.728 -3.704 -4.771 1.00 97.97 27 A 1
586ATOM 222 O O . HIS A 1 27 ? 1.060 -4.461 -3.857 1.00 97.73 27 A 1
587ATOM 223 C CB . HIS A 1 27 ? 2.474 -2.991 -6.419 1.00 97.59 27 A 1
588ATOM 224 C CG . HIS A 1 27 ? 1.661 -3.191 -7.670 1.00 97.04 27 A 1
589ATOM 225 N ND1 . HIS A 1 27 ? 1.248 -4.433 -8.099 1.00 94.24 27 A 1
590ATOM 226 C CD2 . HIS A 1 27 ? 1.176 -2.308 -8.565 1.00 94.43 27 A 1
591ATOM 227 C CE1 . HIS A 1 27 ? 0.542 -4.299 -9.210 1.00 93.80 27 A 1
592ATOM 228 N NE2 . HIS A 1 27 ? 0.482 -3.019 -9.521 1.00 94.31 27 A 1
593ATOM 229 N N . GLN A 1 28 ? -0.415 -3.818 -5.426 1.00 98.12 28 A 1
594ATOM 230 C CA . GLN A 1 28 ? -1.387 -4.837 -5.045 1.00 98.08 28 A 1
595ATOM 231 C C . GLN A 1 28 ? -0.818 -6.253 -5.114 1.00 98.04 28 A 1
596ATOM 232 O O . GLN A 1 28 ? -1.230 -7.120 -4.346 1.00 97.66 28 A 1
597ATOM 233 C CB . GLN A 1 28 ? -2.640 -4.725 -5.918 1.00 97.51 28 A 1
598ATOM 234 C CG . GLN A 1 28 ? -2.408 -4.992 -7.392 1.00 96.04 28 A 1
599ATOM 235 C CD . GLN A 1 28 ? -3.682 -4.926 -8.215 1.00 95.24 28 A 1
600ATOM 236 O OE1 . GLN A 1 28 ? -4.704 -4.427 -7.751 1.00 90.14 28 A 1
601ATOM 237 N NE2 . GLN A 1 28 ? -3.635 -5.437 -9.433 1.00 88.26 28 A 1
602ATOM 238 N N . THR A 1 29 ? 0.132 -6.477 -6.003 1.00 97.42 29 A 1
603ATOM 239 C CA . THR A 1 29 ? 0.732 -7.796 -6.138 1.00 97.33 29 A 1
604ATOM 240 C C . THR A 1 29 ? 1.606 -8.164 -4.940 1.00 97.59 29 A 1
605ATOM 241 O O . THR A 1 29 ? 1.928 -9.330 -4.742 1.00 97.26 29 A 1
606ATOM 242 C CB . THR A 1 29 ? 1.580 -7.902 -7.420 1.00 96.95 29 A 1
607ATOM 243 O OG1 . THR A 1 29 ? 2.578 -6.885 -7.420 1.00 95.38 29 A 1
608ATOM 244 C CG2 . THR A 1 29 ? 0.706 -7.752 -8.655 1.00 94.82 29 A 1
609ATOM 245 N N . ALA A 1 30 ? 1.990 -7.166 -4.139 1.00 98.07 30 A 1
610ATOM 246 C CA . ALA A 1 30 ? 2.804 -7.409 -2.957 1.00 98.10 30 A 1
611ATOM 247 C C . ALA A 1 30 ? 1.952 -7.726 -1.735 1.00 98.14 30 A 1
612ATOM 248 O O . ALA A 1 30 ? 2.476 -8.024 -0.660 1.00 97.77 30 A 1
613ATOM 249 C CB . ALA A 1 30 ? 3.694 -6.196 -2.669 1.00 98.15 30 A 1
614ATOM 250 N N . ILE A 1 31 ? 0.638 -7.659 -1.886 1.00 98.53 31 A 1
615ATOM 251 C CA . ILE A 1 31 ? -0.294 -7.936 -0.802 1.00 98.40 31 A 1
616ATOM 252 C C . ILE A 1 31 ? -0.741 -9.388 -0.884 1.00 98.05 31 A 1
617ATOM 253 O O . ILE A 1 31 ? -1.152 -9.862 -1.942 1.00 97.33 31 A 1
618ATOM 254 C CB . ILE A 1 31 ? -1.508 -7.002 -0.872 1.00 98.44 31 A 1
619ATOM 255 C CG1 . ILE A 1 31 ? -1.048 -5.541 -0.810 1.00 98.03 31 A 1
620ATOM 256 C CG2 . ILE A 1 31 ? -2.486 -7.301 0.258 1.00 98.08 31 A 1
621ATOM 257 C CD1 . ILE A 1 31 ? -2.138 -4.538 -1.129 1.00 97.77 31 A 1
622ATOM 258 N N . LYS A 1 32 ? -0.659 -10.089 0.241 1.00 97.29 32 A 1
623ATOM 259 C CA . LYS A 1 32 ? -1.054 -11.483 0.295 1.00 96.48 32 A 1
624ATOM 260 C C . LYS A 1 32 ? -2.546 -11.617 -0.001 1.00 95.74 32 A 1
625ATOM 261 O O . LYS A 1 32 ? -3.363 -10.855 0.516 1.00 91.73 32 A 1
626ATOM 262 C CB . LYS A 1 32 ? -0.747 -12.086 1.664 1.00 94.93 32 A 1
627ATOM 263 C CG . LYS A 1 32 ? 0.735 -12.170 1.984 1.00 89.45 32 A 1
628ATOM 264 C CD . LYS A 1 32 ? 0.963 -12.769 3.352 1.00 86.49 32 A 1
629ATOM 265 C CE . LYS A 1 32 ? 2.436 -12.857 3.691 1.00 79.82 32 A 1
630ATOM 266 N NZ . LYS A 1 32 ? 2.667 -13.413 5.055 1.00 72.11 32 A 1
631ATOM 267 N N . LYS A 1 33 ? -2.883 -12.579 -0.829 1.00 93.67 33 A 1
632ATOM 268 C CA . LYS A 1 33 ? -4.267 -12.807 -1.203 1.00 91.93 33 A 1
633ATOM 269 C C . LYS A 1 33 ? -4.938 -13.749 -0.215 1.00 90.22 33 A 1
634ATOM 270 O O . LYS A 1 33 ? -4.345 -14.734 0.225 1.00 82.02 33 A 1
635ATOM 271 C CB . LYS A 1 33 ? -4.357 -13.354 -2.627 1.00 88.91 33 A 1
636ATOM 272 C CG . LYS A 1 33 ? -3.585 -14.636 -2.863 1.00 82.26 33 A 1
637ATOM 273 C CD . LYS A 1 33 ? -3.622 -15.040 -4.324 1.00 79.96 33 A 1
638ATOM 274 C CE . LYS A 1 33 ? -2.784 -16.277 -4.592 1.00 74.07 33 A 1
639ATOM 275 N NZ . LYS A 1 33 ? -2.759 -16.628 -6.038 1.00 65.51 33 A 1
640ATOM 276 N N . ASN A 1 34 ? -6.180 -13.428 0.147 1.00 87.57 34 A 1
641ATOM 277 C CA . ASN A 1 34 ? -6.956 -14.267 1.035 1.00 85.75 34 A 1
642ATOM 278 C C . ASN A 1 34 ? -7.648 -15.383 0.262 1.00 86.95 34 A 1
643ATOM 279 O O . ASN A 1 34 ? -7.677 -16.535 0.694 1.00 82.03 34 A 1
644ATOM 280 C CB . ASN A 1 34 ? -7.993 -13.433 1.786 1.00 82.36 34 A 1
645ATOM 281 C CG . ASN A 1 34 ? -7.361 -12.364 2.649 1.00 78.45 34 A 1
646ATOM 282 O OD1 . ASN A 1 34 ? -6.335 -12.585 3.286 1.00 72.51 34 A 1
647ATOM 283 N ND2 . ASN A 1 34 ? -7.974 -11.194 2.683 1.00 72.99 34 A 1
648ATOM 284 N N . ASN A 1 35 ? -8.207 -15.013 -0.879 1.00 88.73 35 A 1
649ATOM 285 C CA . ASN A 1 35 ? -8.902 -15.954 -1.737 1.00 88.75 35 A 1
650ATOM 286 C C . ASN A 1 35 ? -8.686 -15.548 -3.190 1.00 88.76 35 A 1
651ATOM 287 O O . ASN A 1 35 ? -9.028 -14.430 -3.574 1.00 86.13 35 A 1
652ATOM 288 C CB . ASN A 1 35 ? -10.395 -15.979 -1.404 1.00 86.20 35 A 1
653ATOM 289 C CG . ASN A 1 35 ? -11.123 -17.136 -2.062 1.00 81.46 35 A 1
654ATOM 290 O OD1 . ASN A 1 35 ? -10.909 -17.452 -3.225 1.00 77.20 35 A 1
655ATOM 291 N ND2 . ASN A 1 35 ? -12.010 -17.781 -1.319 1.00 77.17 35 A 1
656ATOM 292 N N . PRO A 1 36 ? -8.117 -16.439 -4.004 1.00 89.19 36 A 1
657ATOM 293 C CA . PRO A 1 36 ? -7.857 -16.125 -5.404 1.00 89.82 36 A 1
658ATOM 294 C C . PRO A 1 36 ? -9.092 -15.664 -6.164 1.00 91.13 36 A 1
659ATOM 295 O O . PRO A 1 36 ? -8.991 -14.891 -7.123 1.00 87.93 36 A 1
660ATOM 296 C CB . PRO A 1 36 ? -7.326 -17.441 -5.979 1.00 87.35 36 A 1
661ATOM 297 C CG . PRO A 1 36 ? -6.757 -18.143 -4.806 1.00 84.95 36 A 1
662ATOM 298 C CD . PRO A 1 36 ? -7.631 -17.777 -3.642 1.00 87.53 36 A 1
663ATOM 299 N N . ARG A 1 37 ? -10.268 -16.119 -5.730 1.00 91.41 37 A 1
664ATOM 300 C CA . ARG A 1 37 ? -11.507 -15.704 -6.347 1.00 92.39 37 A 1
665ATOM 301 C C . ARG A 1 37 ? -12.320 -14.841 -5.385 1.00 92.62 37 A 1
666ATOM 302 O O . ARG A 1 37 ? -12.517 -15.219 -4.231 1.00 90.24 37 A 1
667ATOM 303 C CB . ARG A 1 37 ? -12.344 -16.910 -6.769 1.00 91.49 37 A 1
668ATOM 304 C CG . ARG A 1 37 ? -11.636 -17.871 -7.694 1.00 87.27 37 A 1
669ATOM 305 C CD . ARG A 1 37 ? -12.627 -18.784 -8.415 1.00 85.88 37 A 1
670ATOM 306 N NE . ARG A 1 37 ? -12.966 -18.264 -9.735 1.00 81.14 37 A 1
671ATOM 307 C CZ . ARG A 1 37 ? -13.921 -18.763 -10.517 1.00 76.05 37 A 1
672ATOM 308 N NH1 . ARG A 1 37 ? -14.646 -19.784 -10.108 1.00 71.44 37 A 1
673ATOM 309 N NH2 . ARG A 1 37 ? -14.149 -18.244 -11.710 1.00 71.29 37 A 1
674ATOM 310 N N . LYS A 1 38 ? -12.787 -13.706 -5.886 1.00 89.96 38 A 1
675ATOM 311 C CA . LYS A 1 38 ? -13.720 -12.808 -5.213 1.00 90.39 38 A 1
676ATOM 312 C C . LYS A 1 38 ? -13.077 -11.658 -4.427 1.00 90.25 38 A 1
677ATOM 313 O O . LYS A 1 38 ? -13.590 -10.547 -4.456 1.00 87.06 38 A 1
678ATOM 314 C CB . LYS A 1 38 ? -14.666 -13.583 -4.288 1.00 87.46 38 A 1
679ATOM 315 C CG . LYS A 1 38 ? -15.821 -12.758 -3.768 1.00 81.23 38 A 1
680ATOM 316 C CD . LYS A 1 38 ? -16.847 -13.629 -3.069 1.00 79.49 38 A 1
681ATOM 317 C CE . LYS A 1 38 ? -17.579 -14.503 -4.065 1.00 73.37 38 A 1
682ATOM 318 N NZ . LYS A 1 38 ? -18.688 -15.249 -3.432 1.00 65.97 38 A 1
683ATOM 319 N N . TYR A 1 39 ? -11.986 -11.910 -3.707 1.00 88.13 39 A 1
684ATOM 320 C CA . TYR A 1 39 ? -11.382 -10.857 -2.899 1.00 88.83 39 A 1
685ATOM 321 C C . TYR A 1 39 ? -10.202 -10.198 -3.594 1.00 89.25 39 A 1
686ATOM 322 O O . TYR A 1 39 ? -9.328 -10.872 -4.138 1.00 85.76 39 A 1
687ATOM 323 C CB . TYR A 1 39 ? -10.934 -11.405 -1.545 1.00 86.47 39 A 1
688ATOM 324 C CG . TYR A 1 39 ? -12.079 -11.909 -0.700 1.00 85.30 39 A 1
689ATOM 325 C CD1 . TYR A 1 39 ? -12.981 -11.019 -0.129 1.00 85.31 39 A 1
690ATOM 326 C CD2 . TYR A 1 39 ? -12.254 -13.262 -0.462 1.00 84.97 39 A 1
691ATOM 327 C CE1 . TYR A 1 39 ? -14.036 -11.474 0.646 1.00 82.02 39 A 1
692ATOM 328 C CE2 . TYR A 1 39 ? -13.306 -13.728 0.313 1.00 82.43 39 A 1
693ATOM 329 C CZ . TYR A 1 39 ? -14.189 -12.822 0.860 1.00 80.97 39 A 1
694ATOM 330 O OH . TYR A 1 39 ? -15.234 -13.265 1.635 1.00 76.04 39 A 1
695ATOM 331 N N . LEU A 1 40 ? -10.191 -8.870 -3.568 1.00 90.84 40 A 1
696ATOM 332 C CA . LEU A 1 40 ? -9.108 -8.106 -4.157 1.00 91.91 40 A 1
697ATOM 333 C C . LEU A 1 40 ? -7.951 -7.991 -3.171 1.00 93.48 40 A 1
698ATOM 334 O O . LEU A 1 40 ? -8.148 -8.006 -1.956 1.00 90.70 40 A 1
699ATOM 335 C CB . LEU A 1 40 ? -9.583 -6.703 -4.538 1.00 88.45 40 A 1
700ATOM 336 C CG . LEU A 1 40 ? -10.645 -6.600 -5.632 1.00 83.87 40 A 1
701ATOM 337 C CD1 . LEU A 1 40 ? -11.123 -5.162 -5.756 1.00 82.13 40 A 1
702ATOM 338 C CD2 . LEU A 1 40 ? -10.107 -7.102 -6.958 1.00 81.46 40 A 1
703ATOM 339 N N . ARG A 1 41 ? -6.742 -7.852 -3.699 1.00 96.64 41 A 1
704ATOM 340 C CA . ARG A 1 41 ? -5.572 -7.634 -2.870 1.00 97.00 41 A 1
705ATOM 341 C C . ARG A 1 41 ? -5.464 -6.140 -2.596 1.00 97.14 41 A 1
706ATOM 342 O O . ARG A 1 41 ? -5.126 -5.360 -3.487 1.00 95.50 41 A 1
707ATOM 343 C CB . ARG A 1 41 ? -4.312 -8.154 -3.566 1.00 96.10 41 A 1
708ATOM 344 C CG . ARG A 1 41 ? -4.256 -9.671 -3.637 1.00 93.71 41 A 1
709ATOM 345 C CD . ARG A 1 41 ? -3.120 -10.148 -4.531 1.00 91.90 41 A 1
710ATOM 346 N NE . ARG A 1 41 ? -3.389 -9.854 -5.929 1.00 89.14 41 A 1
711ATOM 347 C CZ . ARG A 1 41 ? -2.615 -10.247 -6.937 1.00 87.67 41 A 1
712ATOM 348 N NH1 . ARG A 1 41 ? -1.517 -10.952 -6.696 1.00 81.83 41 A 1
713ATOM 349 N NH2 . ARG A 1 41 ? -2.941 -9.929 -8.179 1.00 83.16 41 A 1
714ATOM 350 N N . ALA A 1 42 ? -5.782 -5.753 -1.378 1.00 97.92 42 A 1
715ATOM 351 C CA . ALA A 1 42 ? -5.784 -4.349 -1.009 1.00 97.90 42 A 1
716ATOM 352 C C . ALA A 1 42 ? -5.628 -4.194 0.497 1.00 98.08 42 A 1
717ATOM 353 O O . ALA A 1 42 ? -5.823 -5.145 1.254 1.00 97.39 42 A 1
718ATOM 354 C CB . ALA A 1 42 ? -7.070 -3.678 -1.471 1.00 97.24 42 A 1
719ATOM 355 N N . VAL A 1 43 ? -5.259 -2.989 0.919 1.00 98.23 43 A 1
720ATOM 356 C CA . VAL A 1 43 ? -5.154 -2.646 2.331 1.00 98.36 43 A 1
721ATOM 357 C C . VAL A 1 43 ? -5.973 -1.385 2.572 1.00 98.31 43 A 1
722ATOM 358 O O . VAL A 1 43 ? -6.238 -0.615 1.648 1.00 98.06 43 A 1
723ATOM 359 C CB . VAL A 1 43 ? -3.689 -2.424 2.765 1.00 98.34 43 A 1
724ATOM 360 C CG1 . VAL A 1 43 ? -2.932 -3.743 2.763 1.00 97.89 43 A 1
725ATOM 361 C CG2 . VAL A 1 43 ? -3.005 -1.415 1.852 1.00 97.63 43 A 1
726ATOM 362 N N . GLY A 1 44 ? -6.391 -1.190 3.819 1.00 98.02 44 A 1
727ATOM 363 C CA . GLY A 1 44 ? -7.221 -0.049 4.146 1.00 98.18 44 A 1
728ATOM 364 C C . GLY A 1 44 ? -6.431 1.135 4.664 1.00 98.56 44 A 1
729ATOM 365 O O . GLY A 1 44 ? -5.446 0.969 5.385 1.00 98.44 44 A 1
730ATOM 366 N N . ASP A 1 45 ? -6.873 2.333 4.302 1.00 98.57 45 A 1
731ATOM 367 C CA . ASP A 1 45 ? -6.227 3.553 4.754 1.00 98.60 45 A 1
732ATOM 368 C C . ASP A 1 45 ? -6.224 3.626 6.279 1.00 98.73 45 A 1
733ATOM 369 O O . ASP A 1 45 ? -7.243 3.383 6.926 1.00 98.36 45 A 1
734ATOM 370 C CB . ASP A 1 45 ? -6.928 4.784 4.185 1.00 98.49 45 A 1
735ATOM 371 C CG . ASP A 1 45 ? -6.895 4.847 2.667 1.00 97.99 45 A 1
736ATOM 372 O OD1 . ASP A 1 45 ? -6.180 4.033 2.042 1.00 96.71 45 A 1
737ATOM 373 O OD2 . ASP A 1 45 ? -7.585 5.712 2.097 1.00 96.21 45 A 1
738ATOM 374 N N . GLY A 1 46 ? -5.062 3.952 6.852 1.00 98.87 46 A 1
739ATOM 375 C CA . GLY A 1 46 ? -4.944 4.100 8.289 1.00 98.88 46 A 1
740ATOM 376 C C . GLY A 1 46 ? -4.713 2.811 9.056 1.00 98.83 46 A 1
741ATOM 377 O O . GLY A 1 46 ? -4.462 2.860 10.256 1.00 98.48 46 A 1
742ATOM 378 N N . GLU A 1 47 ? -4.797 1.676 8.381 1.00 98.59 47 A 1
743ATOM 379 C CA . GLU A 1 47 ? -4.594 0.394 9.036 1.00 98.41 47 A 1
744ATOM 380 C C . GLU A 1 47 ? -3.116 0.135 9.288 1.00 98.69 47 A 1
745ATOM 381 O O . GLU A 1 47 ? -2.262 0.561 8.509 1.00 98.43 47 A 1
746ATOM 382 C CB . GLU A 1 47 ? -5.173 -0.747 8.197 1.00 97.23 47 A 1
747ATOM 383 C CG . GLU A 1 47 ? -6.676 -0.684 7.997 1.00 93.48 47 A 1
748ATOM 384 C CD . GLU A 1 47 ? -7.448 -0.962 9.277 1.00 93.34 47 A 1
749ATOM 385 O OE1 . GLU A 1 47 ? -7.037 -1.867 10.028 1.00 90.03 47 A 1
750ATOM 386 O OE2 . GLU A 1 47 ? -8.451 -0.278 9.522 1.00 89.02 47 A 1
751ATOM 387 N N . THR A 1 48 ? -2.817 -0.558 10.376 1.00 98.70 48 A 1
752ATOM 388 C CA . THR A 1 48 ? -1.449 -0.952 10.661 1.00 98.72 48 A 1
753ATOM 389 C C . THR A 1 48 ? -1.192 -2.308 10.007 1.00 98.66 48 A 1
754ATOM 390 O O . THR A 1 48 ? -2.018 -3.225 10.099 1.00 98.12 48 A 1
755ATOM 391 C CB . THR A 1 48 ? -1.189 -1.062 12.174 1.00 98.38 48 A 1
756ATOM 392 O OG1 . THR A 1 48 ? -2.105 -1.981 12.765 1.00 94.27 48 A 1
757ATOM 393 C CG2 . THR A 1 48 ? -1.350 0.297 12.834 1.00 91.92 48 A 1
758ATOM 394 N N . VAL A 1 49 ? -0.057 -2.419 9.341 1.00 98.74 49 A 1
759ATOM 395 C CA . VAL A 1 49 ? 0.288 -3.647 8.641 1.00 98.79 49 A 1
760ATOM 396 C C . VAL A 1 49 ? 1.731 -4.036 8.923 1.00 98.72 49 A 1
761ATOM 397 O O . VAL A 1 49 ? 2.570 -3.185 9.232 1.00 98.50 49 A 1
762ATOM 398 C CB . VAL A 1 49 ? 0.090 -3.514 7.115 1.00 98.54 49 A 1
763ATOM 399 C CG1 . VAL A 1 49 ? -1.391 -3.353 6.781 1.00 97.88 49 A 1
764ATOM 400 C CG2 . VAL A 1 49 ? 0.889 -2.344 6.566 1.00 97.82 49 A 1
765ATOM 401 N N . GLU A 1 50 ? 2.000 -5.327 8.829 1.00 98.45 50 A 1
766ATOM 402 C CA . GLU A 1 50 ? 3.351 -5.855 8.977 1.00 98.46 50 A 1
767ATOM 403 C C . GLU A 1 50 ? 3.809 -6.324 7.608 1.00 98.44 50 A 1
768ATOM 404 O O . GLU A 1 50 ? 3.066 -6.994 6.890 1.00 97.79 50 A 1
769ATOM 405 C CB . GLU A 1 50 ? 3.379 -6.994 9.983 1.00 97.82 50 A 1
770ATOM 406 C CG . GLU A 1 50 ? 4.771 -7.504 10.295 1.00 90.84 50 A 1
771ATOM 407 C CD . GLU A 1 50 ? 4.789 -8.468 11.468 1.00 85.44 50 A 1
772ATOM 408 O OE1 . GLU A 1 50 ? 3.793 -8.520 12.223 1.00 80.80 50 A 1
773ATOM 409 O OE2 . GLU A 1 50 ? 5.800 -9.183 11.640 1.00 79.12 50 A 1
774ATOM 410 N N . PHE A 1 51 ? 5.030 -5.965 7.250 1.00 98.69 51 A 1
775ATOM 411 C CA . PHE A 1 51 ? 5.514 -6.262 5.910 1.00 98.69 51 A 1
776ATOM 412 C C . PHE A 1 51 ? 7.028 -6.286 5.870 1.00 98.61 51 A 1
777ATOM 413 O O . PHE A 1 51 ? 7.699 -5.849 6.806 1.00 98.48 51 A 1
778ATOM 414 C CB . PHE A 1 51 ? 4.990 -5.224 4.915 1.00 98.70 51 A 1
779ATOM 415 C CG . PHE A 1 51 ? 5.400 -3.815 5.249 1.00 98.72 51 A 1
780ATOM 416 C CD1 . PHE A 1 51 ? 4.693 -3.077 6.189 1.00 98.51 51 A 1
781ATOM 417 C CD2 . PHE A 1 51 ? 6.487 -3.224 4.631 1.00 98.48 51 A 1
782ATOM 418 C CE1 . PHE A 1 51 ? 5.059 -1.783 6.507 1.00 98.23 51 A 1
783ATOM 419 C CE2 . PHE A 1 51 ? 6.870 -1.932 4.942 1.00 98.26 51 A 1
784ATOM 420 C CZ . PHE A 1 51 ? 6.159 -1.206 5.883 1.00 98.29 51 A 1
785ATOM 421 N N . ASP A 1 52 ? 7.552 -6.811 4.777 1.00 98.57 52 A 1
786ATOM 422 C CA . ASP A 1 52 ? 8.980 -6.803 4.517 1.00 98.59 52 A 1
787ATOM 423 C C . ASP A 1 52 ? 9.294 -5.650 3.579 1.00 98.55 52 A 1
788ATOM 424 O O . ASP A 1 52 ? 8.451 -5.215 2.799 1.00 98.44 52 A 1
789ATOM 425 C CB . ASP A 1 52 ? 9.428 -8.112 3.873 1.00 98.34 52 A 1
790ATOM 426 C CG . ASP A 1 52 ? 9.223 -9.304 4.779 1.00 97.81 52 A 1
791ATOM 427 O OD1 . ASP A 1 52 ? 9.400 -9.170 6.003 1.00 96.16 52 A 1
792ATOM 428 O OD2 . ASP A 1 52 ? 8.891 -10.395 4.266 1.00 95.77 52 A 1
793ATOM 429 N N . VAL A 1 53 ? 10.523 -5.148 3.653 1.00 98.51 53 A 1
794ATOM 430 C CA . VAL A 1 53 ? 10.969 -4.097 2.751 1.00 98.42 53 A 1
795ATOM 431 C C . VAL A 1 53 ? 11.999 -4.692 1.803 1.00 98.54 53 A 1
796ATOM 432 O O . VAL A 1 53 ? 13.005 -5.249 2.241 1.00 98.22 53 A 1
797ATOM 433 C CB . VAL A 1 53 ? 11.570 -2.907 3.515 1.00 98.26 53 A 1
798ATOM 434 C CG1 . VAL A 1 53 ? 12.100 -1.864 2.540 1.00 97.51 53 A 1
799ATOM 435 C CG2 . VAL A 1 53 ? 10.528 -2.288 4.434 1.00 97.57 53 A 1
800ATOM 436 N N . VAL A 1 54 ? 11.722 -4.585 0.522 1.00 98.51 54 A 1
801ATOM 437 C CA . VAL A 1 54 ? 12.605 -5.114 -0.502 1.00 98.49 54 A 1
802ATOM 438 C C . VAL A 1 54 ? 13.151 -3.969 -1.339 1.00 98.46 54 A 1
803ATOM 439 O O . VAL A 1 54 ? 12.422 -3.054 -1.710 1.00 98.06 54 A 1
804ATOM 440 C CB . VAL A 1 54 ? 11.866 -6.120 -1.408 1.00 98.10 54 A 1
805ATOM 441 C CG1 . VAL A 1 54 ? 12.767 -6.603 -2.536 1.00 95.19 54 A 1
806ATOM 442 C CG2 . VAL A 1 54 ? 11.367 -7.300 -0.583 1.00 95.23 54 A 1
807ATOM 443 N N . GLU A 1 55 ? 14.448 -4.015 -1.615 1.00 97.09 55 A 1
808ATOM 444 C CA . GLU A 1 55 ? 15.079 -2.991 -2.433 1.00 96.54 55 A 1
809ATOM 445 C C . GLU A 1 55 ? 14.996 -3.376 -3.894 1.00 95.47 55 A 1
810ATOM 446 O O . GLU A 1 55 ? 15.486 -4.433 -4.303 1.00 90.90 55 A 1
811ATOM 447 C CB . GLU A 1 55 ? 16.541 -2.794 -2.018 1.00 95.30 55 A 1
812ATOM 448 C CG . GLU A 1 55 ? 17.202 -1.587 -2.661 1.00 84.68 55 A 1
813ATOM 449 C CD . GLU A 1 55 ? 16.623 -0.266 -2.179 1.00 78.51 55 A 1
814ATOM 450 O OE1 . GLU A 1 55 ? 16.165 -0.212 -1.026 1.00 72.62 55 A 1
815ATOM 451 O OE2 . GLU A 1 55 ? 16.633 0.699 -2.955 1.00 72.80 55 A 1
816ATOM 452 N N . GLY A 1 56 ? 14.364 -2.521 -4.676 1.00 93.66 56 A 1
817ATOM 453 C CA . GLY A 1 56 ? 14.228 -2.753 -6.097 1.00 91.12 56 A 1
818ATOM 454 C C . GLY A 1 56 ? 14.941 -1.693 -6.910 1.00 92.03 56 A 1
819ATOM 455 O O . GLY A 1 56 ? 15.683 -0.870 -6.370 1.00 89.93 56 A 1
820ATOM 456 N N . GLU A 1 57 ? 14.708 -1.717 -8.220 1.00 91.30 57 A 1
821ATOM 457 C CA . GLU A 1 57 ? 15.363 -0.767 -9.107 1.00 91.73 57 A 1
822ATOM 458 C C . GLU A 1 57 ? 14.816 0.646 -8.935 1.00 92.86 57 A 1
823ATOM 459 O O . GLU A 1 57 ? 15.504 1.626 -9.213 1.00 89.60 57 A 1
824ATOM 460 C CB . GLU A 1 57 ? 15.218 -1.213 -10.560 1.00 89.93 57 A 1
825ATOM 461 C CG . GLU A 1 57 ? 16.345 -0.726 -11.467 1.00 81.67 57 A 1
826ATOM 462 C CD . GLU A 1 57 ? 17.674 -1.386 -11.140 1.00 77.14 57 A 1
827ATOM 463 O OE1 . GLU A 1 57 ? 17.670 -2.573 -10.758 1.00 72.65 57 A 1
828ATOM 464 O OE2 . GLU A 1 57 ? 18.710 -0.714 -11.265 1.00 73.09 57 A 1
829ATOM 465 N N . LYS A 1 58 ? 13.573 0.749 -8.472 1.00 94.63 58 A 1
830ATOM 466 C CA . LYS A 1 58 ? 12.926 2.038 -8.296 1.00 94.55 58 A 1
831ATOM 467 C C . LYS A 1 58 ? 12.929 2.492 -6.834 1.00 94.67 58 A 1
832ATOM 468 O O . LYS A 1 58 ? 12.277 3.482 -6.484 1.00 92.17 58 A 1
833ATOM 469 C CB . LYS A 1 58 ? 11.484 1.970 -8.811 1.00 92.80 58 A 1
834ATOM 470 C CG . LYS A 1 58 ? 11.381 1.550 -10.269 1.00 88.86 58 A 1
835ATOM 471 C CD . LYS A 1 58 ? 10.058 0.866 -10.547 1.00 85.55 58 A 1
836ATOM 472 C CE . LYS A 1 58 ? 10.088 0.135 -11.875 1.00 80.82 58 A 1
837ATOM 473 N NZ . LYS A 1 58 ? 8.950 -0.816 -12.007 1.00 73.07 58 A 1
838ATOM 474 N N . GLY A 1 59 ? 13.651 1.769 -5.987 1.00 95.58 59 A 1
839ATOM 475 C CA . GLY A 1 59 ? 13.709 2.098 -4.580 1.00 95.59 59 A 1
840ATOM 476 C C . GLY A 1 59 ? 13.054 1.042 -3.716 1.00 96.62 59 A 1
841ATOM 477 O O . GLY A 1 59 ? 12.652 -0.016 -4.196 1.00 96.23 59 A 1
842ATOM 478 N N . ALA A 1 60 ? 12.946 1.339 -2.424 1.00 97.03 60 A 1
843ATOM 479 C CA . ALA A 1 60 ? 12.358 0.406 -1.480 1.00 97.34 60 A 1
844ATOM 480 C C . ALA A 1 60 ? 10.859 0.250 -1.710 1.00 97.89 60 A 1
845ATOM 481 O O . ALA A 1 60 ? 10.164 1.208 -2.036 1.00 97.61 60 A 1
846ATOM 482 C CB . ALA A 1 60 ? 12.624 0.875 -0.053 1.00 96.69 60 A 1
847ATOM 483 N N . GLU A 1 61 ? 10.377 -0.976 -1.533 1.00 98.21 61 A 1
848ATOM 484 C CA . GLU A 1 61 ? 8.962 -1.261 -1.679 1.00 98.33 61 A 1
849ATOM 485 C C . GLU A 1 61 ? 8.546 -2.345 -0.700 1.00 98.47 61 A 1
850ATOM 486 O O . GLU A 1 61 ? 9.377 -3.131 -0.237 1.00 98.25 61 A 1
851ATOM 487 C CB . GLU A 1 61 ? 8.621 -1.683 -3.115 1.00 97.40 61 A 1
852ATOM 488 C CG . GLU A 1 61 ? 9.319 -2.939 -3.582 1.00 93.18 61 A 1
853ATOM 489 C CD . GLU A 1 61 ? 8.956 -3.302 -5.017 1.00 93.60 61 A 1
854ATOM 490 O OE1 . GLU A 1 61 ? 8.041 -4.113 -5.208 1.00 89.43 61 A 1
855ATOM 491 O OE2 . GLU A 1 61 ? 9.587 -2.744 -5.933 1.00 88.43 61 A 1
856ATOM 492 N N . ALA A 1 62 ? 7.264 -2.362 -0.368 1.00 98.76 62 A 1
857ATOM 493 C CA . ALA A 1 62 ? 6.746 -3.337 0.569 1.00 98.72 62 A 1
858ATOM 494 C C . ALA A 1 62 ? 6.520 -4.689 -0.102 1.00 98.64 62 A 1
859ATOM 495 O O . ALA A 1 62 ? 6.219 -4.763 -1.292 1.00 98.47 62 A 1
860ATOM 496 C CB . ALA A 1 62 ? 5.446 -2.837 1.192 1.00 98.73 62 A 1
861ATOM 497 N N . ALA A 1 63 ? 6.666 -5.740 0.684 1.00 98.63 63 A 1
862ATOM 498 C CA . ALA A 1 63 ? 6.435 -7.096 0.208 1.00 98.49 63 A 1
863ATOM 499 C C . ALA A 1 63 ? 5.817 -7.917 1.330 1.00 98.46 63 A 1
864ATOM 500 O O . ALA A 1 63 ? 6.011 -7.618 2.505 1.00 98.14 63 A 1
865ATOM 501 C CB . ALA A 1 63 ? 7.740 -7.735 -0.264 1.00 98.10 63 A 1
866ATOM 502 N N . ASN A 1 64 ? 5.075 -8.955 0.960 1.00 98.32 64 A 1
867ATOM 503 C CA . ASN A 1 64 ? 4.424 -9.846 1.915 1.00 98.27 64 A 1
868ATOM 504 C C . ASN A 1 64 ? 3.503 -9.100 2.877 1.00 98.27 64 A 1
869ATOM 505 O O . ASN A 1 64 ? 3.480 -9.369 4.080 1.00 97.50 64 A 1
870ATOM 506 C CB . ASN A 1 64 ? 5.470 -10.653 2.693 1.00 97.80 64 A 1
871ATOM 507 C CG . ASN A 1 64 ? 6.333 -11.494 1.784 1.00 95.10 64 A 1
872ATOM 508 O OD1 . ASN A 1 64 ? 5.840 -12.116 0.849 1.00 87.26 64 A 1
873ATOM 509 N ND2 . ASN A 1 64 ? 7.627 -11.527 2.057 1.00 85.53 64 A 1
874ATOM 510 N N . VAL A 1 65 ? 2.739 -8.164 2.332 1.00 98.47 65 A 1
875ATOM 511 C CA . VAL A 1 65 ? 1.805 -7.369 3.123 1.00 98.26 65 A 1
876ATOM 512 C C . VAL A 1 65 ? 0.546 -8.177 3.402 1.00 97.32 65 A 1
877ATOM 513 O O . VAL A 1 65 ? 0.056 -8.193 4.546 1.00 93.24 65 A 1
878ATOM 514 C CB . VAL A 1 65 ? 1.447 -6.056 2.399 1.00 97.99 65 A 1
879ATOM 515 C CG1 . VAL A 1 65 ? 0.534 -5.207 3.259 1.00 97.36 65 A 1
880ATOM 516 C CG2 . VAL A 1 65 ? 2.702 -5.297 2.024 1.00 96.42 65 A 1
881ATOM 517 O OXT . VAL A 1 65 ? 0.013 -8.809 2.482 1.00 96.39 65 A 1
882ATOM 518 O OP3 . U B 2 1 ? -1.021 1.501 -14.282 1.00 89.97 1 B 1
883ATOM 519 P P . U B 2 1 ? 0.051 1.074 -14.203 1.00 92.82 1 B 1
884ATOM 520 O OP1 . U B 2 1 ? 0.182 2.466 -14.630 1.00 90.38 1 B 1
885ATOM 521 O OP2 . U B 2 1 ? 0.480 0.009 -15.155 1.00 90.75 1 B 1
886ATOM 522 O "O5'" . U B 2 1 ? 1.014 0.883 -12.919 1.00 91.95 1 B 1
887ATOM 523 C "C5'" . U B 2 1 ? 0.819 1.596 -11.702 1.00 93.51 1 B 1
888ATOM 524 C "C4'" . U B 2 1 ? 2.074 1.578 -10.855 1.00 95.18 1 B 1
889ATOM 525 O "O4'" . U B 2 1 ? 2.256 0.245 -10.309 1.00 94.94 1 B 1
890ATOM 526 C "C3'" . U B 2 1 ? 3.360 1.920 -11.588 1.00 95.36 1 B 1
891ATOM 527 O "O3'" . U B 2 1 ? 4.192 2.683 -10.737 1.00 95.27 1 B 1
892ATOM 528 C "C2'" . U B 2 1 ? 3.985 0.565 -11.861 1.00 95.26 1 B 1
893ATOM 529 O "O2'" . U B 2 1 ? 5.373 0.600 -11.988 1.00 94.41 1 B 1
894ATOM 530 C "C1'" . U B 2 1 ? 3.549 -0.221 -10.632 1.00 95.53 1 B 1
895ATOM 531 N N1 . U B 2 1 ? 3.461 -1.680 -10.849 1.00 95.49 1 B 1
896ATOM 532 C C2 . U B 2 1 ? 4.212 -2.490 -10.020 1.00 93.81 1 B 1
897ATOM 533 O O2 . U B 2 1 ? 4.939 -2.067 -9.140 1.00 92.43 1 B 1
898ATOM 534 N N3 . U B 2 1 ? 4.077 -3.834 -10.285 1.00 92.96 1 B 1
899ATOM 535 C C4 . U B 2 1 ? 3.287 -4.417 -11.261 1.00 92.59 1 B 1
900ATOM 536 O O4 . U B 2 1 ? 3.279 -5.640 -11.369 1.00 91.51 1 B 1
901ATOM 537 C C5 . U B 2 1 ? 2.548 -3.495 -12.062 1.00 92.35 1 B 1
902ATOM 538 C C6 . U B 2 1 ? 2.656 -2.181 -11.830 1.00 93.75 1 B 1
903ATOM 539 P P . U B 2 2 ? 4.805 4.067 -11.232 1.00 96.37 2 B 1
904ATOM 540 O OP1 . U B 2 2 ? 3.852 4.765 -12.118 1.00 94.47 2 B 1
905ATOM 541 O OP2 . U B 2 2 ? 6.178 3.779 -11.713 1.00 94.58 2 B 1
906ATOM 542 O "O5'" . U B 2 2 ? 4.931 4.885 -9.882 1.00 96.03 2 B 1
907ATOM 543 C "C5'" . U B 2 2 ? 3.779 5.264 -9.156 1.00 96.08 2 B 1
908ATOM 544 C "C4'" . U B 2 2 ? 4.154 6.096 -7.960 1.00 96.93 2 B 1
909ATOM 545 O "O4'" . U B 2 2 ? 4.876 5.266 -7.014 1.00 96.71 2 B 1
910ATOM 546 C "C3'" . U B 2 2 ? 5.072 7.276 -8.263 1.00 96.91 2 B 1
911ATOM 547 O "O3'" . U B 2 2 ? 4.779 8.340 -7.367 1.00 96.69 2 B 1
912ATOM 548 C "C2'" . U B 2 2 ? 6.455 6.720 -7.951 1.00 96.74 2 B 1
913ATOM 549 O "O2'" . U B 2 2 ? 7.412 7.706 -7.645 1.00 96.07 2 B 1
914ATOM 550 C "C1'" . U B 2 2 ? 6.149 5.818 -6.764 1.00 97.00 2 B 1
915ATOM 551 N N1 . U B 2 2 ? 7.105 4.716 -6.592 1.00 97.01 2 B 1
916ATOM 552 C C2 . U B 2 2 ? 7.927 4.738 -5.480 1.00 96.34 2 B 1
917ATOM 553 O O2 . U B 2 2 ? 7.893 5.628 -4.651 1.00 95.58 2 B 1
918ATOM 554 N N3 . U B 2 2 ? 8.794 3.684 -5.374 1.00 96.12 2 B 1
919ATOM 555 C C4 . U B 2 2 ? 8.919 2.620 -6.252 1.00 95.95 2 B 1
920ATOM 556 O O4 . U B 2 2 ? 9.746 1.743 -6.017 1.00 95.40 2 B 1
921ATOM 557 C C5 . U B 2 2 ? 8.028 2.673 -7.378 1.00 95.74 2 B 1
922ATOM 558 C C6 . U B 2 2 ? 7.170 3.693 -7.508 1.00 96.38 2 B 1
923ATOM 559 P P . U B 2 3 ? 4.356 9.742 -7.909 1.00 97.32 3 B 1
924ATOM 560 O OP1 . U B 2 3 ? 3.747 9.541 -9.247 1.00 96.10 3 B 1
925ATOM 561 O OP2 . U B 2 3 ? 5.479 10.693 -7.750 1.00 96.21 3 B 1
926ATOM 562 O "O5'" . U B 2 3 ? 3.210 10.170 -6.885 1.00 96.99 3 B 1
927ATOM 563 C "C5'" . U B 2 3 ? 1.942 9.539 -6.902 1.00 96.92 3 B 1
928ATOM 564 C "C4'" . U B 2 3 ? 1.115 9.983 -5.719 1.00 97.62 3 B 1
929ATOM 565 O "O4'" . U B 2 3 ? 1.604 9.320 -4.527 1.00 97.52 3 B 1
930ATOM 566 C "C3'" . U B 2 3 ? 1.162 11.481 -5.423 1.00 97.61 3 B 1
931ATOM 567 O "O3'" . U B 2 3 ? -0.096 11.906 -4.916 1.00 97.49 3 B 1
932ATOM 568 C "C2'" . U B 2 3 ? 2.211 11.574 -4.337 1.00 97.56 3 B 1
933ATOM 569 O "O2'" . U B 2 3 ? 2.085 12.713 -3.511 1.00 97.14 3 B 1
934ATOM 570 C "C1'" . U B 2 3 ? 1.957 10.286 -3.561 1.00 97.81 3 B 1
935ATOM 571 N N1 . U B 2 3 ? 3.134 9.789 -2.832 1.00 97.86 3 B 1
936ATOM 572 C C2 . U B 2 3 ? 3.039 9.672 -1.455 1.00 97.60 3 B 1
937ATOM 573 O O2 . U B 2 3 ? 2.023 9.957 -0.840 1.00 97.20 3 B 1
938ATOM 574 N N3 . U B 2 3 ? 4.161 9.205 -0.824 1.00 97.59 3 B 1
939ATOM 575 C C4 . U B 2 3 ? 5.363 8.853 -1.424 1.00 97.52 3 B 1
940ATOM 576 O O4 . U B 2 3 ? 6.288 8.450 -0.722 1.00 97.25 3 B 1
941ATOM 577 C C5 . U B 2 3 ? 5.378 9.009 -2.855 1.00 97.38 3 B 1
942ATOM 578 C C6 . U B 2 3 ? 4.289 9.458 -3.497 1.00 97.63 3 B 1
943ATOM 579 P P . C B 2 4 ? -0.950 12.998 -5.624 1.00 96.53 4 B 1
944ATOM 580 O OP1 . C B 2 4 ? -0.119 13.615 -6.683 1.00 95.15 4 B 1
945ATOM 581 O OP2 . C B 2 4 ? -1.581 13.849 -4.594 1.00 95.98 4 B 1
946ATOM 582 O "O5'" . C B 2 4 ? -2.096 12.130 -6.321 1.00 96.33 4 B 1
947ATOM 583 C "C5'" . C B 2 4 ? -1.823 11.349 -7.477 1.00 96.66 4 B 1
948ATOM 584 C "C4'" . C B 2 4 ? -2.819 10.228 -7.606 1.00 97.33 4 B 1
949ATOM 585 O "O4'" . C B 2 4 ? -2.610 9.265 -6.550 1.00 97.27 4 B 1
950ATOM 586 C "C3'" . C B 2 4 ? -4.269 10.641 -7.430 1.00 97.46 4 B 1
951ATOM 587 O "O3'" . C B 2 4 ? -4.835 11.156 -8.619 1.00 97.30 4 B 1
952ATOM 588 C "C2'" . C B 2 4 ? -4.927 9.343 -6.986 1.00 97.28 4 B 1
953ATOM 589 O "O2'" . C B 2 4 ? -5.143 8.476 -8.087 1.00 97.02 4 B 1
954ATOM 590 C "C1'" . C B 2 4 ? -3.844 8.757 -6.094 1.00 97.56 4 B 1
955ATOM 591 N N1 . C B 2 4 ? -4.004 9.118 -4.670 1.00 97.65 4 B 1
956ATOM 592 C C2 . C B 2 4 ? -5.087 8.593 -3.945 1.00 97.34 4 B 1
957ATOM 593 O O2 . C B 2 4 ? -5.893 7.848 -4.512 1.00 96.93 4 B 1
958ATOM 594 N N3 . C B 2 4 ? -5.222 8.926 -2.633 1.00 97.15 4 B 1
959ATOM 595 C C4 . C B 2 4 ? -4.334 9.739 -2.046 1.00 97.02 4 B 1
960ATOM 596 N N4 . C B 2 4 ? -4.513 10.024 -0.756 1.00 96.73 4 B 1
961ATOM 597 C C5 . C B 2 4 ? -3.231 10.283 -2.760 1.00 96.96 4 B 1
962ATOM 598 C C6 . C B 2 4 ? -3.101 9.943 -4.060 1.00 97.25 4 B 1
963ATOM 599 P P . C B 2 5 ? -5.760 12.433 -8.510 1.00 95.59 5 B 1
964ATOM 600 O OP1 . C B 2 5 ? -6.105 12.808 -9.902 1.00 94.17 5 B 1
965ATOM 601 O OP2 . C B 2 5 ? -5.114 13.428 -7.617 1.00 94.60 5 B 1
966ATOM 602 O "O5'" . C B 2 5 ? -7.072 11.903 -7.793 1.00 95.06 5 B 1
967ATOM 603 C "C5'" . C B 2 5 ? -7.905 10.918 -8.399 1.00 94.86 5 B 1
968ATOM 604 C "C4'" . C B 2 5 ? -9.020 10.500 -7.472 1.00 95.63 5 B 1
969ATOM 605 O "O4'" . C B 2 5 ? -8.476 9.807 -6.321 1.00 95.59 5 B 1
970ATOM 606 C "C3'" . C B 2 5 ? -9.817 11.642 -6.855 1.00 95.82 5 B 1
971ATOM 607 O "O3'" . C B 2 5 ? -10.808 12.143 -7.739 1.00 95.52 5 B 1
972ATOM 608 C "C2'" . C B 2 5 ? -10.399 10.996 -5.605 1.00 95.40 5 B 1
973ATOM 609 O "O2'" . C B 2 5 ? -11.515 10.178 -5.919 1.00 94.71 5 B 1
974ATOM 610 C "C1'" . C B 2 5 ? -9.244 10.104 -5.170 1.00 95.69 5 B 1
975ATOM 611 N N1 . C B 2 5 ? -8.365 10.763 -4.181 1.00 95.78 5 B 1
976ATOM 612 C C2 . C B 2 5 ? -8.776 10.791 -2.834 1.00 95.09 5 B 1
977ATOM 613 O O2 . C B 2 5 ? -9.854 10.275 -2.525 1.00 94.18 5 B 1
978ATOM 614 N N3 . C B 2 5 ? -7.976 11.392 -1.914 1.00 94.62 5 B 1
979ATOM 615 C C4 . C B 2 5 ? -6.815 11.949 -2.283 1.00 94.42 5 B 1
980ATOM 616 N N4 . C B 2 5 ? -6.070 12.524 -1.338 1.00 93.74 5 B 1
981ATOM 617 C C5 . C B 2 5 ? -6.385 11.929 -3.646 1.00 94.30 5 B 1
982ATOM 618 C C6 . C B 2 5 ? -7.178 11.340 -4.544 1.00 94.81 5 B 1
983ATOM 619 P P . C B 2 6 ? -11.129 13.693 -7.715 1.00 94.83 6 B 1
984ATOM 620 O OP1 . C B 2 6 ? -12.072 13.942 -8.830 1.00 93.81 6 B 1
985ATOM 621 O OP2 . C B 2 6 ? -9.863 14.447 -7.630 1.00 93.55 6 B 1
986ATOM 622 O "O5'" . C B 2 6 ? -11.921 13.896 -6.337 1.00 93.89 6 B 1
987ATOM 623 C "C5'" . C B 2 6 ? -13.174 13.256 -6.113 1.00 92.98 6 B 1
988ATOM 624 C "C4'" . C B 2 6 ? -13.631 13.456 -4.690 1.00 93.90 6 B 1
989ATOM 625 O "O4'" . C B 2 6 ? -12.706 12.825 -3.772 1.00 93.73 6 B 1
990ATOM 626 C "C3'" . C B 2 6 ? -13.688 14.898 -4.211 1.00 94.22 6 B 1
991ATOM 627 O "O3'" . C B 2 6 ? -14.857 15.564 -4.644 1.00 93.85 6 B 1
992ATOM 628 C "C2'" . C B 2 6 ? -13.612 14.734 -2.698 1.00 93.43 6 B 1
993ATOM 629 O "O2'" . C B 2 6 ? -14.872 14.371 -2.167 1.00 92.27 6 B 1
994ATOM 630 C "C1'" . C B 2 6 ? -12.653 13.558 -2.559 1.00 93.62 6 B 1
995ATOM 631 N N1 . C B 2 6 ? -11.260 13.986 -2.314 1.00 93.38 6 B 1
996ATOM 632 C C2 . C B 2 6 ? -10.879 14.304 -0.996 1.00 91.26 6 B 1
997ATOM 633 O O2 . C B 2 6 ? -11.716 14.217 -0.089 1.00 89.32 6 B 1
998ATOM 634 N N3 . C B 2 6 ? -9.604 14.694 -0.759 1.00 90.06 6 B 1
999ATOM 635 C C4 . C B 2 6 ? -8.726 14.783 -1.764 1.00 89.84 6 B 1
1000ATOM 636 N N4 . C B 2 6 ? -7.487 15.168 -1.468 1.00 88.78 6 B 1
1001ATOM 637 C C5 . C B 2 6 ? -9.092 14.466 -3.109 1.00 89.44 6 B 1
1002ATOM 638 C C6 . C B 2 6 ? -10.349 14.083 -3.329 1.00 90.34 6 B 1
1003#